data_17953 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17953 _Entry.Title ; NMR Structure of protoporphyrin-IX bound murine p22HBP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-09-22 _Entry.Accession_date 2011-09-22 _Entry.Last_release_date 2012-09-24 _Entry.Original_release_date 2012-09-24 _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 Brian Goodfellow . James. . 17953 2 J. Dias . S. . 17953 3 A. Macedo . L. . 17953 4 G. Ferreira . C. . 17953 5 F. Peterson . C. . 17953 6 B. Volkman . F. . 17953 7 I. Duarte . C.N. . 17953 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17953 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . GoodfellowGroup . 17953 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Heme-binding . 17953 'HEME-BINDING PROTEIN' . 17953 NMR . 17953 p22HBP . 17953 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17953 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 639 17953 '15N chemical shifts' 166 17953 '1H chemical shifts' 1031 17953 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-09-24 2011-09-22 original author . 17953 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 4A1M 'BMRB Entry Tracking System' 17953 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17953 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'The NMR Structure of protoporphyrin-IX bound murine p22HBP' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'to be published' _Citation.Journal_name_full 'to be published' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Brian Goodfellow . James. . 17953 1 2 J. Dias . S. . 17953 1 3 A. Macedo . L. . 17953 1 4 G. Ferreira . C. . 17953 1 5 F. Peterson . C. . 17953 1 6 B. Volkman . F. . 17953 1 7 I. Duarte . C.N. . 17953 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17953 _Assembly.ID 1 _Assembly.Name 'NMR Structure of protoporphyrin-IX bound murine p22HBP' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 21737.3322 _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 'HEME-BINDING PROTEIN 1' 1 $HEME-BINDING_PROTEIN_1 A . yes native no no . . . 17953 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HEME-BINDING_PROTEIN_1 _Entity.Sf_category entity _Entity.Sf_framecode HEME-BINDING_PROTEIN_1 _Entity.Entry_ID 17953 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HEME-BINDING_PROTEIN_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKNSTHHHHHHNSLFGSVET WPWQVLSTGGKEDVSYEERA CEGGKFATVEVTDKPVDEAL REAMPKIMKYVGGTNDKGVG MGMTVPVSFAVFPNEDGSLQ KKLKVWFRIPNQFQGSPPAP SDESVKIEEREGITVYSTQF GGYAKEADYVAHATQLRTTL EGTPATYQGDVYYCAGYDPP MKPYGRRNEVWLVKA ; _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 195 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 21737.3322 _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 yes UNP HEBP1_MOUSE . Q9R257 . . . "our recombinant protein has an N-term tag and the protein sequence starts at N7 The residues M-3 K-3 N-2 S-1 T0 H1 H2 H3 H4 H5 H6, were not detected in the NMR experiments" . . . . . . . . . . 17953 1 2 no PDB 2GOV . "Solution Structure Of Murine P22hbp" . . . . . 100.00 195 99.49 99.49 6.82e-142 . . . . 17953 1 3 no PDB 2HVA . "Solution Structure Of The Haem-Binding Protein P22hbp" . . . . . 94.87 192 99.46 99.46 1.13e-132 . . . . 17953 1 4 no PDB 4A1M . "Nmr Structure Of Protoporphyrin-Ix Bound Murine P22hbp" . . . . . 100.00 195 100.00 100.00 8.08e-143 . . . . 17953 1 5 no DBJ BAA33770 . "heme-binding protein [Mus musculus]" . . . . . 94.87 190 98.92 98.92 6.63e-132 . . . . 17953 1 6 no EMBL CAJ18470 . "Hebp1 [Mus musculus]" . . . . . 94.87 190 99.46 99.46 1.20e-132 . . . . 17953 1 7 no GB AAD32096 . "heme-binding protein [Mus musculus]" . . . . . 94.87 190 99.46 99.46 1.20e-132 . . . . 17953 1 8 no GB AAH12654 . "Heme binding protein 1 [Mus musculus]" . . . . . 94.87 190 99.46 99.46 1.20e-132 . . . . 17953 1 9 no GB AAI68221 . "Hebp1 protein [Rattus norvegicus]" . . . . . 94.87 190 97.30 98.38 1.07e-130 . . . . 17953 1 10 no GB EDL10544 . "heme binding protein 1 [Mus musculus]" . . . . . 94.87 190 99.46 99.46 1.20e-132 . . . . 17953 1 11 no GB EDM01631 . "heme binding protein 1 (predicted), isoform CRA_a [Rattus norvegicus]" . . . . . 94.87 190 97.30 98.38 1.07e-130 . . . . 17953 1 12 no REF NP_038574 . "heme-binding protein 1 [Mus musculus]" . . . . . 94.87 190 98.92 99.46 2.37e-132 . . . . 17953 1 13 no REF XP_006237591 . "PREDICTED: heme-binding protein 1 isoform X1 [Rattus norvegicus]" . . . . . 94.87 190 97.30 98.38 1.07e-130 . . . . 17953 1 14 no REF XP_011239526 . "PREDICTED: heme-binding protein 1 isoform X1 [Mus musculus]" . . . . . 84.62 224 99.39 100.00 5.11e-116 . . . . 17953 1 15 no SP Q9R257 . "RecName: Full=Heme-binding protein 1; AltName: Full=p22HBP" . . . . . 94.87 190 98.92 99.46 2.37e-132 . . . . 17953 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 -4 MET . 17953 1 2 -3 LYS . 17953 1 3 -2 ASN . 17953 1 4 -1 SER . 17953 1 5 0 THR . 17953 1 6 1 HIS . 17953 1 7 2 HIS . 17953 1 8 3 HIS . 17953 1 9 4 HIS . 17953 1 10 5 HIS . 17953 1 11 6 HIS . 17953 1 12 7 ASN . 17953 1 13 8 SER . 17953 1 14 9 LEU . 17953 1 15 10 PHE . 17953 1 16 11 GLY . 17953 1 17 12 SER . 17953 1 18 13 VAL . 17953 1 19 14 GLU . 17953 1 20 15 THR . 17953 1 21 16 TRP . 17953 1 22 17 PRO . 17953 1 23 18 TRP . 17953 1 24 19 GLN . 17953 1 25 20 VAL . 17953 1 26 21 LEU . 17953 1 27 22 SER . 17953 1 28 23 THR . 17953 1 29 24 GLY . 17953 1 30 25 GLY . 17953 1 31 26 LYS . 17953 1 32 27 GLU . 17953 1 33 28 ASP . 17953 1 34 29 VAL . 17953 1 35 30 SER . 17953 1 36 31 TYR . 17953 1 37 32 GLU . 17953 1 38 33 GLU . 17953 1 39 34 ARG . 17953 1 40 35 ALA . 17953 1 41 36 CYS . 17953 1 42 37 GLU . 17953 1 43 38 GLY . 17953 1 44 39 GLY . 17953 1 45 40 LYS . 17953 1 46 41 PHE . 17953 1 47 42 ALA . 17953 1 48 43 THR . 17953 1 49 44 VAL . 17953 1 50 45 GLU . 17953 1 51 46 VAL . 17953 1 52 47 THR . 17953 1 53 48 ASP . 17953 1 54 49 LYS . 17953 1 55 50 PRO . 17953 1 56 51 VAL . 17953 1 57 52 ASP . 17953 1 58 53 GLU . 17953 1 59 54 ALA . 17953 1 60 55 LEU . 17953 1 61 56 ARG . 17953 1 62 57 GLU . 17953 1 63 58 ALA . 17953 1 64 59 MET . 17953 1 65 60 PRO . 17953 1 66 61 LYS . 17953 1 67 62 ILE . 17953 1 68 63 MET . 17953 1 69 64 LYS . 17953 1 70 65 TYR . 17953 1 71 66 VAL . 17953 1 72 67 GLY . 17953 1 73 68 GLY . 17953 1 74 69 THR . 17953 1 75 70 ASN . 17953 1 76 71 ASP . 17953 1 77 72 LYS . 17953 1 78 73 GLY . 17953 1 79 74 VAL . 17953 1 80 75 GLY . 17953 1 81 76 MET . 17953 1 82 77 GLY . 17953 1 83 78 MET . 17953 1 84 79 THR . 17953 1 85 80 VAL . 17953 1 86 81 PRO . 17953 1 87 82 VAL . 17953 1 88 83 SER . 17953 1 89 84 PHE . 17953 1 90 85 ALA . 17953 1 91 86 VAL . 17953 1 92 87 PHE . 17953 1 93 88 PRO . 17953 1 94 89 ASN . 17953 1 95 90 GLU . 17953 1 96 91 ASP . 17953 1 97 92 GLY . 17953 1 98 93 SER . 17953 1 99 94 LEU . 17953 1 100 95 GLN . 17953 1 101 96 LYS . 17953 1 102 97 LYS . 17953 1 103 98 LEU . 17953 1 104 99 LYS . 17953 1 105 100 VAL . 17953 1 106 101 TRP . 17953 1 107 102 PHE . 17953 1 108 103 ARG . 17953 1 109 104 ILE . 17953 1 110 105 PRO . 17953 1 111 106 ASN . 17953 1 112 107 GLN . 17953 1 113 108 PHE . 17953 1 114 109 GLN . 17953 1 115 110 GLY . 17953 1 116 111 SER . 17953 1 117 112 PRO . 17953 1 118 113 PRO . 17953 1 119 114 ALA . 17953 1 120 115 PRO . 17953 1 121 116 SER . 17953 1 122 117 ASP . 17953 1 123 118 GLU . 17953 1 124 119 SER . 17953 1 125 120 VAL . 17953 1 126 121 LYS . 17953 1 127 122 ILE . 17953 1 128 123 GLU . 17953 1 129 124 GLU . 17953 1 130 125 ARG . 17953 1 131 126 GLU . 17953 1 132 127 GLY . 17953 1 133 128 ILE . 17953 1 134 129 THR . 17953 1 135 130 VAL . 17953 1 136 131 TYR . 17953 1 137 132 SER . 17953 1 138 133 THR . 17953 1 139 134 GLN . 17953 1 140 135 PHE . 17953 1 141 136 GLY . 17953 1 142 137 GLY . 17953 1 143 138 TYR . 17953 1 144 139 ALA . 17953 1 145 140 LYS . 17953 1 146 141 GLU . 17953 1 147 142 ALA . 17953 1 148 143 ASP . 17953 1 149 144 TYR . 17953 1 150 145 VAL . 17953 1 151 146 ALA . 17953 1 152 147 HIS . 17953 1 153 148 ALA . 17953 1 154 149 THR . 17953 1 155 150 GLN . 17953 1 156 151 LEU . 17953 1 157 152 ARG . 17953 1 158 153 THR . 17953 1 159 154 THR . 17953 1 160 155 LEU . 17953 1 161 156 GLU . 17953 1 162 157 GLY . 17953 1 163 158 THR . 17953 1 164 159 PRO . 17953 1 165 160 ALA . 17953 1 166 161 THR . 17953 1 167 162 TYR . 17953 1 168 163 GLN . 17953 1 169 164 GLY . 17953 1 170 165 ASP . 17953 1 171 166 VAL . 17953 1 172 167 TYR . 17953 1 173 168 TYR . 17953 1 174 169 CYS . 17953 1 175 170 ALA . 17953 1 176 171 GLY . 17953 1 177 172 TYR . 17953 1 178 173 ASP . 17953 1 179 174 PRO . 17953 1 180 175 PRO . 17953 1 181 176 MET . 17953 1 182 177 LYS . 17953 1 183 178 PRO . 17953 1 184 179 TYR . 17953 1 185 180 GLY . 17953 1 186 181 ARG . 17953 1 187 182 ARG . 17953 1 188 183 ASN . 17953 1 189 184 GLU . 17953 1 190 185 VAL . 17953 1 191 186 TRP . 17953 1 192 187 LEU . 17953 1 193 188 VAL . 17953 1 194 189 LYS . 17953 1 195 190 ALA . 17953 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17953 1 . LYS 2 2 17953 1 . ASN 3 3 17953 1 . SER 4 4 17953 1 . THR 5 5 17953 1 . HIS 6 6 17953 1 . HIS 7 7 17953 1 . HIS 8 8 17953 1 . HIS 9 9 17953 1 . HIS 10 10 17953 1 . HIS 11 11 17953 1 . ASN 12 12 17953 1 . SER 13 13 17953 1 . LEU 14 14 17953 1 . PHE 15 15 17953 1 . GLY 16 16 17953 1 . SER 17 17 17953 1 . VAL 18 18 17953 1 . GLU 19 19 17953 1 . THR 20 20 17953 1 . TRP 21 21 17953 1 . PRO 22 22 17953 1 . TRP 23 23 17953 1 . GLN 24 24 17953 1 . VAL 25 25 17953 1 . LEU 26 26 17953 1 . SER 27 27 17953 1 . THR 28 28 17953 1 . GLY 29 29 17953 1 . GLY 30 30 17953 1 . LYS 31 31 17953 1 . GLU 32 32 17953 1 . ASP 33 33 17953 1 . VAL 34 34 17953 1 . SER 35 35 17953 1 . TYR 36 36 17953 1 . GLU 37 37 17953 1 . GLU 38 38 17953 1 . ARG 39 39 17953 1 . ALA 40 40 17953 1 . CYS 41 41 17953 1 . GLU 42 42 17953 1 . GLY 43 43 17953 1 . GLY 44 44 17953 1 . LYS 45 45 17953 1 . PHE 46 46 17953 1 . ALA 47 47 17953 1 . THR 48 48 17953 1 . VAL 49 49 17953 1 . GLU 50 50 17953 1 . VAL 51 51 17953 1 . THR 52 52 17953 1 . ASP 53 53 17953 1 . LYS 54 54 17953 1 . PRO 55 55 17953 1 . VAL 56 56 17953 1 . ASP 57 57 17953 1 . GLU 58 58 17953 1 . ALA 59 59 17953 1 . LEU 60 60 17953 1 . ARG 61 61 17953 1 . GLU 62 62 17953 1 . ALA 63 63 17953 1 . MET 64 64 17953 1 . PRO 65 65 17953 1 . LYS 66 66 17953 1 . ILE 67 67 17953 1 . MET 68 68 17953 1 . LYS 69 69 17953 1 . TYR 70 70 17953 1 . VAL 71 71 17953 1 . GLY 72 72 17953 1 . GLY 73 73 17953 1 . THR 74 74 17953 1 . ASN 75 75 17953 1 . ASP 76 76 17953 1 . LYS 77 77 17953 1 . GLY 78 78 17953 1 . VAL 79 79 17953 1 . GLY 80 80 17953 1 . MET 81 81 17953 1 . GLY 82 82 17953 1 . MET 83 83 17953 1 . THR 84 84 17953 1 . VAL 85 85 17953 1 . PRO 86 86 17953 1 . VAL 87 87 17953 1 . SER 88 88 17953 1 . PHE 89 89 17953 1 . ALA 90 90 17953 1 . VAL 91 91 17953 1 . PHE 92 92 17953 1 . PRO 93 93 17953 1 . ASN 94 94 17953 1 . GLU 95 95 17953 1 . ASP 96 96 17953 1 . GLY 97 97 17953 1 . SER 98 98 17953 1 . LEU 99 99 17953 1 . GLN 100 100 17953 1 . LYS 101 101 17953 1 . LYS 102 102 17953 1 . LEU 103 103 17953 1 . LYS 104 104 17953 1 . VAL 105 105 17953 1 . TRP 106 106 17953 1 . PHE 107 107 17953 1 . ARG 108 108 17953 1 . ILE 109 109 17953 1 . PRO 110 110 17953 1 . ASN 111 111 17953 1 . GLN 112 112 17953 1 . PHE 113 113 17953 1 . GLN 114 114 17953 1 . GLY 115 115 17953 1 . SER 116 116 17953 1 . PRO 117 117 17953 1 . PRO 118 118 17953 1 . ALA 119 119 17953 1 . PRO 120 120 17953 1 . SER 121 121 17953 1 . ASP 122 122 17953 1 . GLU 123 123 17953 1 . SER 124 124 17953 1 . VAL 125 125 17953 1 . LYS 126 126 17953 1 . ILE 127 127 17953 1 . GLU 128 128 17953 1 . GLU 129 129 17953 1 . ARG 130 130 17953 1 . GLU 131 131 17953 1 . GLY 132 132 17953 1 . ILE 133 133 17953 1 . THR 134 134 17953 1 . VAL 135 135 17953 1 . TYR 136 136 17953 1 . SER 137 137 17953 1 . THR 138 138 17953 1 . GLN 139 139 17953 1 . PHE 140 140 17953 1 . GLY 141 141 17953 1 . GLY 142 142 17953 1 . TYR 143 143 17953 1 . ALA 144 144 17953 1 . LYS 145 145 17953 1 . GLU 146 146 17953 1 . ALA 147 147 17953 1 . ASP 148 148 17953 1 . TYR 149 149 17953 1 . VAL 150 150 17953 1 . ALA 151 151 17953 1 . HIS 152 152 17953 1 . ALA 153 153 17953 1 . THR 154 154 17953 1 . GLN 155 155 17953 1 . LEU 156 156 17953 1 . ARG 157 157 17953 1 . THR 158 158 17953 1 . THR 159 159 17953 1 . LEU 160 160 17953 1 . GLU 161 161 17953 1 . GLY 162 162 17953 1 . THR 163 163 17953 1 . PRO 164 164 17953 1 . ALA 165 165 17953 1 . THR 166 166 17953 1 . TYR 167 167 17953 1 . GLN 168 168 17953 1 . GLY 169 169 17953 1 . ASP 170 170 17953 1 . VAL 171 171 17953 1 . TYR 172 172 17953 1 . TYR 173 173 17953 1 . CYS 174 174 17953 1 . ALA 175 175 17953 1 . GLY 176 176 17953 1 . TYR 177 177 17953 1 . ASP 178 178 17953 1 . PRO 179 179 17953 1 . PRO 180 180 17953 1 . MET 181 181 17953 1 . LYS 182 182 17953 1 . PRO 183 183 17953 1 . TYR 184 184 17953 1 . GLY 185 185 17953 1 . ARG 186 186 17953 1 . ARG 187 187 17953 1 . ASN 188 188 17953 1 . GLU 189 189 17953 1 . VAL 190 190 17953 1 . TRP 191 191 17953 1 . LEU 192 192 17953 1 . VAL 193 193 17953 1 . LYS 194 194 17953 1 . ALA 195 195 17953 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 17953 _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 $HEME-BINDING_PROTEIN_1 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 17953 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 17953 _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 $HEME-BINDING_PROTEIN_1 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . PJN2 . . . 'recombinant protein starts at residue N7' . . 17953 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17953 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'HBP 1mM' _Sample.Aggregate_sample_number . _Sample.Solvent_system '10% water/90% 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 HEME-BINDING_PROTEIN_1 '[U-13C; U-15N]' . . 1 $HEME-BINDING_PROTEIN_1 . . 1 . . mM . . . . 17953 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 17953 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH [8.0], temp [303], pressure [1], ionStrength [150.0]' 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' 150.000 . mM 17953 1 pH 8.000 . pH 17953 1 pressure 1.000 . atm 17953 1 temperature 303.000 . K 17953 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoDep _Software.Sf_category software _Software.Sf_framecode AutoDep _Software.Entry_ID 17953 _Software.ID 1 _Software.Name AutoDep _Software.Version 4.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID AutoDep . . 17953 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17953 _Software.ID 2 _Software.Name CYANA _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17953 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17953 2 'data analysis' 17953 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_DMX-600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_DMX-600 _NMR_spectrometer.Entry_ID 17953 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17953 _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 Bruker_DMX-600 Bruker DMX . 600 . . . 17953 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 17953 _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/3D 15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_DMX-600 . . . . . . . . . . . . . . . . 17953 1 2 '2D/3D 13C NOESY (aliphatic and aromatic)' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_DMX-600 . . . . . . . . . . . . . . . . 17953 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 17953 _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 $Bruker_DMX-600 _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 . _NMR_spec_expt.Software_label . _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 17953 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1 'e.g. separate NMR sample tube similar to the experimental one' cylindrical . . . . . . . 17953 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 17953 _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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4a1m/ebi/deposit2_1.bmrb.csh' _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/3D 15N NOESY' 1 $sample_1 solution 17953 1 2 '2D/3D 13C NOESY (aliphatic and aromatic)' 1 $sample_1 solution 17953 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 14 14 LEU H H 1 8.855 0.000 . 1 . . . . 9 L H . 17953 1 2 . 1 1 14 14 LEU N N 15 117.073 0.000 . 1 . . . . 9 L N . 17953 1 3 . 1 1 15 15 PHE H H 1 8.784 0.000 . 1 . . . . 10 F H . 17953 1 4 . 1 1 15 15 PHE HA H 1 5.142 0.000 . 1 . . . . 10 F HA . 17953 1 5 . 1 1 15 15 PHE HB2 H 1 3.450 0.000 . 2 . . . . 10 F HB2 . 17953 1 6 . 1 1 15 15 PHE HB3 H 1 3.177 0.000 . 2 . . . . 10 F HB3 . 17953 1 7 . 1 1 15 15 PHE CA C 13 54.399 0.000 . 1 . . . . 10 F CA . 17953 1 8 . 1 1 15 15 PHE N N 15 132.506 0.000 . 1 . . . . 10 F N . 17953 1 9 . 1 1 18 18 VAL HB H 1 2.033 0.000 . 1 . . . . 13 V HB . 17953 1 10 . 1 1 18 18 VAL CG1 C 13 18.892 0.000 . 2 . . . . 13 V CG1 . 17953 1 11 . 1 1 19 19 GLU H H 1 7.283 0.000 . 1 . . . . 14 E H . 17953 1 12 . 1 1 19 19 GLU HA H 1 3.254 0.000 . 1 . . . . 14 E HA . 17953 1 13 . 1 1 19 19 GLU N N 15 119.121 0.000 . 1 . . . . 14 E N . 17953 1 14 . 1 1 20 20 THR HB H 1 4.152 0.000 . 1 . . . . 15 T HB . 17953 1 15 . 1 1 20 20 THR HG21 H 1 1.128 0.000 . . . . . . 15 T QG2 . 17953 1 16 . 1 1 20 20 THR HG22 H 1 1.128 0.000 . . . . . . 15 T QG2 . 17953 1 17 . 1 1 20 20 THR HG23 H 1 1.128 0.000 . . . . . . 15 T QG2 . 17953 1 18 . 1 1 20 20 THR CB C 13 70.012 0.000 . 1 . . . . 15 T CB . 17953 1 19 . 1 1 21 21 TRP HB2 H 1 3.450 0.000 . 2 . . . . 16 W QB . 17953 1 20 . 1 1 21 21 TRP HB3 H 1 3.450 0.000 . 2 . . . . 16 W QB . 17953 1 21 . 1 1 21 21 TRP HD1 H 1 7.941 0.000 . 1 . . . . 16 W HD1 . 17953 1 22 . 1 1 21 21 TRP HE1 H 1 10.764 0.000 . 1 . . . . 16 W HE1 . 17953 1 23 . 1 1 21 21 TRP HZ2 H 1 7.385 0.000 . 1 . . . . 16 W HZ2 . 17953 1 24 . 1 1 21 21 TRP HH2 H 1 7.013 0.000 . 1 . . . . 16 W HH2 . 17953 1 25 . 1 1 21 21 TRP CD1 C 13 124.436 0.000 . 1 . . . . 16 W CD1 . 17953 1 26 . 1 1 21 21 TRP CZ2 C 13 112.450 0.000 . 1 . . . . 16 W CZ2 . 17953 1 27 . 1 1 21 21 TRP NE1 N 15 128.651 0.000 . 1 . . . . 16 W NE1 . 17953 1 28 . 1 1 22 22 PRO C C 13 175.545 0.000 . 1 . . . . 17 P C . 17953 1 29 . 1 1 23 23 TRP H H 1 8.760 0.000 . 1 . . . . 18 W H . 17953 1 30 . 1 1 23 23 TRP HA H 1 5.394 0.000 . 1 . . . . 18 W HA . 17953 1 31 . 1 1 23 23 TRP HB2 H 1 3.452 0.000 . 2 . . . . 18 W HB2 . 17953 1 32 . 1 1 23 23 TRP HB3 H 1 2.658 0.000 . 2 . . . . 18 W HB3 . 17953 1 33 . 1 1 23 23 TRP HD1 H 1 6.556 0.000 . 1 . . . . 18 W HD1 . 17953 1 34 . 1 1 23 23 TRP HE1 H 1 10.486 0.000 . 1 . . . . 18 W HE1 . 17953 1 35 . 1 1 23 23 TRP HZ2 H 1 7.507 0.000 . 1 . . . . 18 W HZ2 . 17953 1 36 . 1 1 23 23 TRP HH2 H 1 7.028 0.000 . 1 . . . . 18 W HH2 . 17953 1 37 . 1 1 23 23 TRP C C 13 174.569 0.000 . 1 . . . . 18 W C . 17953 1 38 . 1 1 23 23 TRP CA C 13 55.043 0.000 . 1 . . . . 18 W CA . 17953 1 39 . 1 1 23 23 TRP CB C 13 31.844 0.000 . 1 . . . . 18 W CB . 17953 1 40 . 1 1 23 23 TRP CD1 C 13 123.359 0.000 . 1 . . . . 18 W CD1 . 17953 1 41 . 1 1 23 23 TRP CZ2 C 13 113.800 0.000 . 1 . . . . 18 W CZ2 . 17953 1 42 . 1 1 23 23 TRP N N 15 124.414 0.000 . 1 . . . . 18 W N . 17953 1 43 . 1 1 23 23 TRP NE1 N 15 130.914 0.000 . 1 . . . . 18 W NE1 . 17953 1 44 . 1 1 24 24 GLN H H 1 8.247 0.000 . 1 . . . . 19 Q H . 17953 1 45 . 1 1 24 24 GLN HA H 1 4.898 0.000 . 1 . . . . 19 Q HA . 17953 1 46 . 1 1 24 24 GLN HB2 H 1 1.964 0.000 . 2 . . . . 19 Q HB2 . 17953 1 47 . 1 1 24 24 GLN HB3 H 1 2.077 0.000 . 2 . . . . 19 Q HB3 . 17953 1 48 . 1 1 24 24 GLN HG2 H 1 2.210 0.000 . 2 . . . . 19 Q QG . 17953 1 49 . 1 1 24 24 GLN HG3 H 1 2.210 0.000 . 2 . . . . 19 Q QG . 17953 1 50 . 1 1 24 24 GLN C C 13 175.542 0.000 . 1 . . . . 19 Q C . 17953 1 51 . 1 1 24 24 GLN CA C 13 53.825 0.000 . 1 . . . . 19 Q CA . 17953 1 52 . 1 1 24 24 GLN CB C 13 32.343 0.000 . 1 . . . . 19 Q CB . 17953 1 53 . 1 1 24 24 GLN N N 15 117.539 0.000 . 1 . . . . 19 Q N . 17953 1 54 . 1 1 25 25 VAL H H 1 9.284 0.000 . 1 . . . . 20 V H . 17953 1 55 . 1 1 25 25 VAL HA H 1 4.162 0.000 . 1 . . . . 20 V HA . 17953 1 56 . 1 1 25 25 VAL HB H 1 2.092 0.000 . 1 . . . . 20 V HB . 17953 1 57 . 1 1 25 25 VAL HG11 H 1 1.028 0.000 . . . . . . 20 V QG1 . 17953 1 58 . 1 1 25 25 VAL HG12 H 1 1.028 0.000 . . . . . . 20 V QG1 . 17953 1 59 . 1 1 25 25 VAL HG13 H 1 1.028 0.000 . . . . . . 20 V QG1 . 17953 1 60 . 1 1 25 25 VAL HG21 H 1 0.863 0.000 . . . . . . 20 V QG2 . 17953 1 61 . 1 1 25 25 VAL HG22 H 1 0.863 0.000 . . . . . . 20 V QG2 . 17953 1 62 . 1 1 25 25 VAL HG23 H 1 0.863 0.000 . . . . . . 20 V QG2 . 17953 1 63 . 1 1 25 25 VAL C C 13 176.155 0.000 . 1 . . . . 20 V C . 17953 1 64 . 1 1 25 25 VAL CA C 13 63.819 0.000 . 1 . . . . 20 V CA . 17953 1 65 . 1 1 25 25 VAL CB C 13 31.446 0.000 . 1 . . . . 20 V CB . 17953 1 66 . 1 1 25 25 VAL CG1 C 13 22.777 0.000 . 2 . . . . 20 V CG1 . 17953 1 67 . 1 1 25 25 VAL CG2 C 13 21.794 0.000 . 2 . . . . 20 V CG2 . 17953 1 68 . 1 1 25 25 VAL N N 15 127.079 0.000 . 1 . . . . 20 V N . 17953 1 69 . 1 1 26 26 LEU H H 1 9.356 0.000 . 1 . . . . 21 L H . 17953 1 70 . 1 1 26 26 LEU HA H 1 4.332 0.000 . 1 . . . . 21 L HA . 17953 1 71 . 1 1 26 26 LEU HB2 H 1 1.482 0.000 . 2 . . . . 21 L QB . 17953 1 72 . 1 1 26 26 LEU HB3 H 1 1.482 0.000 . 2 . . . . 21 L QB . 17953 1 73 . 1 1 26 26 LEU HG H 1 1.585 0.000 . 1 . . . . 21 L HG . 17953 1 74 . 1 1 26 26 LEU HD11 H 1 0.800 0.000 . . . . . . 21 L QD1 . 17953 1 75 . 1 1 26 26 LEU HD12 H 1 0.800 0.000 . . . . . . 21 L QD1 . 17953 1 76 . 1 1 26 26 LEU HD13 H 1 0.800 0.000 . . . . . . 21 L QD1 . 17953 1 77 . 1 1 26 26 LEU C C 13 177.660 0.000 . 1 . . . . 21 L C . 17953 1 78 . 1 1 26 26 LEU CA C 13 55.845 0.000 . 1 . . . . 21 L CA . 17953 1 79 . 1 1 26 26 LEU CB C 13 42.815 0.000 . 1 . . . . 21 L CB . 17953 1 80 . 1 1 26 26 LEU CG C 13 27.144 0.000 . 1 . . . . 21 L CG . 17953 1 81 . 1 1 26 26 LEU CD1 C 13 23.964 0.000 . 2 . . . . 21 L CD1 . 17953 1 82 . 1 1 26 26 LEU CD2 C 13 25.354 0.000 . 2 . . . . 21 L CD2 . 17953 1 83 . 1 1 26 26 LEU N N 15 130.153 0.000 . 1 . . . . 21 L N . 17953 1 84 . 1 1 27 27 SER H H 1 7.821 0.000 . 1 . . . . 22 S H . 17953 1 85 . 1 1 27 27 SER HA H 1 4.666 0.000 . 1 . . . . 22 S HA . 17953 1 86 . 1 1 27 27 SER HB2 H 1 4.167 0.000 . 2 . . . . 22 S HB2 . 17953 1 87 . 1 1 27 27 SER HB3 H 1 3.995 0.000 . 2 . . . . 22 S HB3 . 17953 1 88 . 1 1 27 27 SER C C 13 171.855 0.000 . 1 . . . . 22 S C . 17953 1 89 . 1 1 27 27 SER CA C 13 58.633 0.000 . 1 . . . . 22 S CA . 17953 1 90 . 1 1 27 27 SER CB C 13 64.786 0.000 . 1 . . . . 22 S CB . 17953 1 91 . 1 1 27 27 SER N N 15 111.329 0.000 . 1 . . . . 22 S N . 17953 1 92 . 1 1 28 28 THR H H 1 8.199 0.000 . 1 . . . . 23 T H . 17953 1 93 . 1 1 28 28 THR HA H 1 4.797 0.000 . 1 . . . . 23 T HA . 17953 1 94 . 1 1 28 28 THR HB H 1 4.273 0.000 . 1 . . . . 23 T HB . 17953 1 95 . 1 1 28 28 THR HG21 H 1 1.201 0.000 . . . . . . 23 T QG2 . 17953 1 96 . 1 1 28 28 THR HG22 H 1 1.201 0.000 . . . . . . 23 T QG2 . 17953 1 97 . 1 1 28 28 THR HG23 H 1 1.201 0.000 . . . . . . 23 T QG2 . 17953 1 98 . 1 1 28 28 THR C C 13 173.062 0.000 . 1 . . . . 23 T C . 17953 1 99 . 1 1 28 28 THR CA C 13 60.200 0.000 . 1 . . . . 23 T CA . 17953 1 100 . 1 1 28 28 THR CB C 13 72.323 0.000 . 1 . . . . 23 T CB . 17953 1 101 . 1 1 28 28 THR CG2 C 13 22.085 0.000 . 1 . . . . 23 T CG2 . 17953 1 102 . 1 1 28 28 THR N N 15 110.819 0.000 . 1 . . . . 23 T N . 17953 1 103 . 1 1 29 29 GLY H H 1 7.286 0.000 . 1 . . . . 24 G H . 17953 1 104 . 1 1 29 29 GLY HA2 H 1 4.118 0.000 . 2 . . . . 24 G HA2 . 17953 1 105 . 1 1 29 29 GLY HA3 H 1 3.521 0.000 . 2 . . . . 24 G HA3 . 17953 1 106 . 1 1 29 29 GLY C C 13 171.927 0.000 . 1 . . . . 24 G C . 17953 1 107 . 1 1 29 29 GLY CA C 13 45.144 0.000 . 1 . . . . 24 G CA . 17953 1 108 . 1 1 29 29 GLY N N 15 107.750 0.000 . 1 . . . . 24 G N . 17953 1 109 . 1 1 30 30 GLY H H 1 8.271 0.000 . 1 . . . . 25 G H . 17953 1 110 . 1 1 30 30 GLY HA2 H 1 4.674 0.000 . 2 . . . . 25 G HA2 . 17953 1 111 . 1 1 30 30 GLY HA3 H 1 3.915 0.000 . 2 . . . . 25 G HA3 . 17953 1 112 . 1 1 30 30 GLY C C 13 172.612 0.000 . 1 . . . . 25 G C . 17953 1 113 . 1 1 30 30 GLY CA C 13 45.703 0.000 . 1 . . . . 25 G CA . 17953 1 114 . 1 1 30 30 GLY N N 15 107.520 0.000 . 1 . . . . 25 G N . 17953 1 115 . 1 1 31 31 LYS H H 1 8.282 0.000 . 1 . . . . 26 K H . 17953 1 116 . 1 1 31 31 LYS HA H 1 4.497 0.000 . 1 . . . . 26 K HA . 17953 1 117 . 1 1 31 31 LYS HB2 H 1 1.948 0.000 . 2 . . . . 26 K QB . 17953 1 118 . 1 1 31 31 LYS HB3 H 1 1.948 0.000 . 2 . . . . 26 K QB . 17953 1 119 . 1 1 31 31 LYS HG2 H 1 1.460 0.000 . 2 . . . . 26 K QG . 17953 1 120 . 1 1 31 31 LYS HG3 H 1 1.460 0.000 . 2 . . . . 26 K QG . 17953 1 121 . 1 1 31 31 LYS C C 13 175.514 0.000 . 1 . . . . 26 K C . 17953 1 122 . 1 1 31 31 LYS CA C 13 56.432 0.000 . 1 . . . . 26 K CA . 17953 1 123 . 1 1 31 31 LYS CB C 13 35.447 0.000 . 1 . . . . 26 K CB . 17953 1 124 . 1 1 31 31 LYS CG C 13 25.053 0.000 . 1 . . . . 26 K CG . 17953 1 125 . 1 1 31 31 LYS CD C 13 30.219 0.000 . 1 . . . . 26 K CD . 17953 1 126 . 1 1 31 31 LYS CE C 13 42.500 0.000 . 1 . . . . 26 K CE . 17953 1 127 . 1 1 31 31 LYS N N 15 119.701 0.000 . 1 . . . . 26 K N . 17953 1 128 . 1 1 32 32 GLU H H 1 7.904 0.000 . 1 . . . . 27 E H . 17953 1 129 . 1 1 32 32 GLU HA H 1 4.677 0.000 . 1 . . . . 27 E HA . 17953 1 130 . 1 1 32 32 GLU HB2 H 1 1.618 0.000 . 2 . . . . 27 E QB . 17953 1 131 . 1 1 32 32 GLU HB3 H 1 1.618 0.000 . 2 . . . . 27 E QB . 17953 1 132 . 1 1 32 32 GLU C C 13 176.001 0.000 . 1 . . . . 27 E C . 17953 1 133 . 1 1 32 32 GLU CA C 13 55.144 0.000 . 1 . . . . 27 E CA . 17953 1 134 . 1 1 32 32 GLU CB C 13 32.978 0.000 . 1 . . . . 27 E CB . 17953 1 135 . 1 1 32 32 GLU N N 15 121.776 0.000 . 1 . . . . 27 E N . 17953 1 136 . 1 1 33 33 ASP H H 1 8.637 0.000 . 1 . . . . 28 D H . 17953 1 137 . 1 1 33 33 ASP HA H 1 4.610 0.000 . 1 . . . . 28 D HA . 17953 1 138 . 1 1 33 33 ASP HB2 H 1 2.807 0.000 . 2 . . . . 28 D QB . 17953 1 139 . 1 1 33 33 ASP HB3 H 1 2.807 0.000 . 2 . . . . 28 D QB . 17953 1 140 . 1 1 33 33 ASP C C 13 175.532 0.000 . 1 . . . . 28 D C . 17953 1 141 . 1 1 33 33 ASP CA C 13 55.172 0.000 . 1 . . . . 28 D CA . 17953 1 142 . 1 1 33 33 ASP CB C 13 40.734 0.000 . 1 . . . . 28 D CB . 17953 1 143 . 1 1 33 33 ASP N N 15 118.788 0.000 . 1 . . . . 28 D N . 17953 1 144 . 1 1 34 34 VAL H H 1 7.905 0.000 . 1 . . . . 29 V H . 17953 1 145 . 1 1 34 34 VAL HA H 1 4.391 0.000 . 1 . . . . 29 V HA . 17953 1 146 . 1 1 34 34 VAL HB H 1 2.237 0.000 . 1 . . . . 29 V HB . 17953 1 147 . 1 1 34 34 VAL HG11 H 1 0.932 0.000 . . . . . . 29 V QG1 . 17953 1 148 . 1 1 34 34 VAL HG12 H 1 0.932 0.000 . . . . . . 29 V QG1 . 17953 1 149 . 1 1 34 34 VAL HG13 H 1 0.932 0.000 . . . . . . 29 V QG1 . 17953 1 150 . 1 1 34 34 VAL C C 13 174.847 0.000 . 1 . . . . 29 V C . 17953 1 151 . 1 1 34 34 VAL CA C 13 62.596 0.000 . 1 . . . . 29 V CA . 17953 1 152 . 1 1 34 34 VAL CB C 13 32.597 0.000 . 1 . . . . 29 V CB . 17953 1 153 . 1 1 34 34 VAL CG1 C 13 21.454 0.000 . 2 . . . . 29 V CG1 . 17953 1 154 . 1 1 34 34 VAL N N 15 121.701 0.000 . 1 . . . . 29 V N . 17953 1 155 . 1 1 35 35 SER H H 1 8.778 0.000 . 1 . . . . 30 S H . 17953 1 156 . 1 1 35 35 SER HA H 1 5.240 0.000 . 1 . . . . 30 S HA . 17953 1 157 . 1 1 35 35 SER HB2 H 1 3.893 0.000 . 2 . . . . 30 S QB . 17953 1 158 . 1 1 35 35 SER HB3 H 1 3.893 0.000 . 2 . . . . 30 S QB . 17953 1 159 . 1 1 35 35 SER C C 13 173.459 0.000 . 1 . . . . 30 S C . 17953 1 160 . 1 1 35 35 SER CA C 13 57.562 0.000 . 1 . . . . 30 S CA . 17953 1 161 . 1 1 35 35 SER CB C 13 65.822 0.000 . 1 . . . . 30 S CB . 17953 1 162 . 1 1 35 35 SER N N 15 122.123 0.000 . 1 . . . . 30 S N . 17953 1 163 . 1 1 36 36 TYR H H 1 8.603 0.000 . 1 . . . . 31 Y H . 17953 1 164 . 1 1 36 36 TYR HA H 1 5.964 0.000 . 1 . . . . 31 Y HA . 17953 1 165 . 1 1 36 36 TYR HB2 H 1 2.989 0.000 . 2 . . . . 31 Y HB2 . 17953 1 166 . 1 1 36 36 TYR HB3 H 1 2.566 0.000 . 2 . . . . 31 Y HB3 . 17953 1 167 . 1 1 36 36 TYR HD1 H 1 6.607 0.000 . 3 . . . . 31 Y QD . 17953 1 168 . 1 1 36 36 TYR HD2 H 1 6.607 0.000 . 3 . . . . 31 Y QD . 17953 1 169 . 1 1 36 36 TYR C C 13 174.315 0.000 . 1 . . . . 31 Y C . 17953 1 170 . 1 1 36 36 TYR CA C 13 56.055 0.000 . 1 . . . . 31 Y CA . 17953 1 171 . 1 1 36 36 TYR CB C 13 42.772 0.000 . 1 . . . . 31 Y CB . 17953 1 172 . 1 1 36 36 TYR CD1 C 13 132.416 0.000 . 3 . . . . 31 Y CD1 . 17953 1 173 . 1 1 36 36 TYR CE1 C 13 117.932 0.000 . 3 . . . . 31 Y CE1 . 17953 1 174 . 1 1 36 36 TYR N N 15 120.393 0.000 . 1 . . . . 31 Y N . 17953 1 175 . 1 1 37 37 GLU H H 1 8.909 0.000 . 1 . . . . 32 E H . 17953 1 176 . 1 1 37 37 GLU HA H 1 4.873 0.000 . 1 . . . . 32 E HA . 17953 1 177 . 1 1 37 37 GLU HB2 H 1 2.044 0.000 . 2 . . . . 32 E HB2 . 17953 1 178 . 1 1 37 37 GLU HB3 H 1 1.770 0.000 . 2 . . . . 32 E HB3 . 17953 1 179 . 1 1 37 37 GLU HG2 H 1 2.074 0.000 . 2 . . . . 32 E HG2 . 17953 1 180 . 1 1 37 37 GLU HG3 H 1 2.292 0.000 . 2 . . . . 32 E HG3 . 17953 1 181 . 1 1 37 37 GLU C C 13 174.361 0.000 . 1 . . . . 32 E C . 17953 1 182 . 1 1 37 37 GLU CA C 13 54.732 0.000 . 1 . . . . 32 E CA . 17953 1 183 . 1 1 37 37 GLU CB C 13 34.426 0.000 . 1 . . . . 32 E CB . 17953 1 184 . 1 1 37 37 GLU CG C 13 36.653 0.000 . 1 . . . . 32 E CG . 17953 1 185 . 1 1 37 37 GLU N N 15 118.530 0.000 . 1 . . . . 32 E N . 17953 1 186 . 1 1 38 38 GLU H H 1 9.023 0.000 . 1 . . . . 33 E H . 17953 1 187 . 1 1 38 38 GLU HA H 1 5.244 0.000 . 1 . . . . 33 E HA . 17953 1 188 . 1 1 38 38 GLU HB2 H 1 1.780 0.000 . 2 . . . . 33 E QB . 17953 1 189 . 1 1 38 38 GLU HB3 H 1 1.780 0.000 . 2 . . . . 33 E QB . 17953 1 190 . 1 1 38 38 GLU HG2 H 1 2.240 0.000 . 2 . . . . 33 E QG . 17953 1 191 . 1 1 38 38 GLU HG3 H 1 2.240 0.000 . 2 . . . . 33 E QG . 17953 1 192 . 1 1 38 38 GLU C C 13 175.803 0.000 . 1 . . . . 33 E C . 17953 1 193 . 1 1 38 38 GLU CA C 13 54.486 0.000 . 1 . . . . 33 E CA . 17953 1 194 . 1 1 38 38 GLU CB C 13 31.792 0.000 . 1 . . . . 33 E CB . 17953 1 195 . 1 1 38 38 GLU CG C 13 37.275 0.000 . 1 . . . . 33 E CG . 17953 1 196 . 1 1 38 38 GLU N N 15 128.311 0.000 . 1 . . . . 33 E N . 17953 1 197 . 1 1 39 39 ARG H H 1 9.179 0.000 . 1 . . . . 34 R H . 17953 1 198 . 1 1 39 39 ARG HA H 1 5.123 0.000 . 1 . . . . 34 R HA . 17953 1 199 . 1 1 39 39 ARG HB2 H 1 1.580 0.000 . 2 . . . . 34 R QB . 17953 1 200 . 1 1 39 39 ARG HB3 H 1 1.580 0.000 . 2 . . . . 34 R QB . 17953 1 201 . 1 1 39 39 ARG HG2 H 1 0.807 0.000 . 2 . . . . 34 R HG2 . 17953 1 202 . 1 1 39 39 ARG HG3 H 1 0.600 0.000 . 2 . . . . 34 R HG3 . 17953 1 203 . 1 1 39 39 ARG C C 13 173.982 0.000 . 1 . . . . 34 R C . 17953 1 204 . 1 1 39 39 ARG CA C 13 53.615 0.000 . 1 . . . . 34 R CA . 17953 1 205 . 1 1 39 39 ARG CB C 13 34.980 0.000 . 1 . . . . 34 R CB . 17953 1 206 . 1 1 39 39 ARG N N 15 125.811 0.000 . 1 . . . . 34 R N . 17953 1 207 . 1 1 40 40 ALA H H 1 8.909 0.000 . 1 . . . . 35 A H . 17953 1 208 . 1 1 40 40 ALA HA H 1 4.846 0.000 . 1 . . . . 35 A HA . 17953 1 209 . 1 1 40 40 ALA HB1 H 1 1.354 0.000 . . . . . . 35 A QB . 17953 1 210 . 1 1 40 40 ALA HB2 H 1 1.354 0.000 . . . . . . 35 A QB . 17953 1 211 . 1 1 40 40 ALA HB3 H 1 1.354 0.000 . . . . . . 35 A QB . 17953 1 212 . 1 1 40 40 ALA CA C 13 51.048 0.000 . 1 . . . . 35 A CA . 17953 1 213 . 1 1 40 40 ALA CB C 13 18.669 0.000 . 1 . . . . 35 A CB . 17953 1 214 . 1 1 40 40 ALA N N 15 126.055 0.000 . 1 . . . . 35 A N . 17953 1 215 . 1 1 41 41 CYS H H 1 9.251 0.000 . 1 . . . . 36 C H . 17953 1 216 . 1 1 41 41 CYS HA H 1 4.766 0.000 . 1 . . . . 36 C HA . 17953 1 217 . 1 1 41 41 CYS HB2 H 1 2.625 0.000 . 2 . . . . 36 C HB2 . 17953 1 218 . 1 1 41 41 CYS HB3 H 1 2.817 0.000 . 2 . . . . 36 C HB3 . 17953 1 219 . 1 1 41 41 CYS C C 13 175.545 0.000 . 1 . . . . 36 C C . 17953 1 220 . 1 1 41 41 CYS CA C 13 57.865 0.000 . 1 . . . . 36 C CA . 17953 1 221 . 1 1 41 41 CYS CB C 13 27.673 0.000 . 1 . . . . 36 C CB . 17953 1 222 . 1 1 41 41 CYS N N 15 125.385 0.000 . 1 . . . . 36 C N . 17953 1 223 . 1 1 42 42 GLU H H 1 8.757 0.000 . 1 . . . . 37 E H . 17953 1 224 . 1 1 42 42 GLU HA H 1 4.315 0.000 . 1 . . . . 37 E HA . 17953 1 225 . 1 1 42 42 GLU HB2 H 1 2.170 0.000 . 2 . . . . 37 E HB2 . 17953 1 226 . 1 1 42 42 GLU HB3 H 1 2.287 0.000 . 2 . . . . 37 E HB3 . 17953 1 227 . 1 1 42 42 GLU HG2 H 1 2.378 0.000 . 2 . . . . 37 E HG2 . 17953 1 228 . 1 1 42 42 GLU HG3 H 1 2.528 0.000 . 2 . . . . 37 E HG3 . 17953 1 229 . 1 1 42 42 GLU C C 13 178.958 0.000 . 1 . . . . 37 E C . 17953 1 230 . 1 1 42 42 GLU CA C 13 56.423 0.000 . 1 . . . . 37 E CA . 17953 1 231 . 1 1 42 42 GLU CB C 13 31.113 0.000 . 1 . . . . 37 E CB . 17953 1 232 . 1 1 42 42 GLU CG C 13 37.527 0.000 . 1 . . . . 37 E CG . 17953 1 233 . 1 1 42 42 GLU N N 15 124.477 0.000 . 1 . . . . 37 E N . 17953 1 234 . 1 1 43 43 GLY H H 1 8.883 0.000 . 1 . . . . 38 G H . 17953 1 235 . 1 1 43 43 GLY HA2 H 1 3.847 0.000 . 2 . . . . 38 G HA2 . 17953 1 236 . 1 1 43 43 GLY HA3 H 1 4.615 0.000 . 2 . . . . 38 G HA3 . 17953 1 237 . 1 1 43 43 GLY C C 13 172.125 0.000 . 1 . . . . 38 G C . 17953 1 238 . 1 1 43 43 GLY CA C 13 44.231 0.000 . 1 . . . . 38 G CA . 17953 1 239 . 1 1 43 43 GLY N N 15 111.879 0.000 . 1 . . . . 38 G N . 17953 1 240 . 1 1 44 44 GLY H H 1 9.001 0.000 . 1 . . . . 39 G H . 17953 1 241 . 1 1 44 44 GLY HA2 H 1 3.797 0.000 . 2 . . . . 39 G HA2 . 17953 1 242 . 1 1 44 44 GLY HA3 H 1 4.457 0.000 . 2 . . . . 39 G HA3 . 17953 1 243 . 1 1 44 44 GLY C C 13 172.107 0.000 . 1 . . . . 39 G C . 17953 1 244 . 1 1 44 44 GLY CA C 13 44.020 0.000 . 1 . . . . 39 G CA . 17953 1 245 . 1 1 44 44 GLY N N 15 112.194 0.000 . 1 . . . . 39 G N . 17953 1 246 . 1 1 45 45 LYS H H 1 9.840 0.000 . 1 . . . . 40 K H . 17953 1 247 . 1 1 45 45 LYS HA H 1 5.025 0.000 . 1 . . . . 40 K HA . 17953 1 248 . 1 1 45 45 LYS HB2 H 1 1.456 0.000 . 2 . . . . 40 K HB2 . 17953 1 249 . 1 1 45 45 LYS HB3 H 1 1.573 0.000 . 2 . . . . 40 K HB3 . 17953 1 250 . 1 1 45 45 LYS HG2 H 1 1.387 0.000 . 2 . . . . 40 K HG2 . 17953 1 251 . 1 1 45 45 LYS HG3 H 1 1.603 0.000 . 2 . . . . 40 K HG3 . 17953 1 252 . 1 1 45 45 LYS HE2 H 1 2.995 0.000 . 2 . . . . 40 K HE2 . 17953 1 253 . 1 1 45 45 LYS HE3 H 1 2.858 0.000 . 2 . . . . 40 K HE3 . 17953 1 254 . 1 1 45 45 LYS C C 13 176.485 0.000 . 1 . . . . 40 K C . 17953 1 255 . 1 1 45 45 LYS CA C 13 56.379 0.000 . 1 . . . . 40 K CA . 17953 1 256 . 1 1 45 45 LYS CB C 13 34.071 0.000 . 1 . . . . 40 K CB . 17953 1 257 . 1 1 45 45 LYS CG C 13 26.515 0.000 . 1 . . . . 40 K CG . 17953 1 258 . 1 1 45 45 LYS CD C 13 29.388 0.000 . 1 . . . . 40 K CD . 17953 1 259 . 1 1 45 45 LYS CE C 13 43.485 0.000 . 1 . . . . 40 K CE . 17953 1 260 . 1 1 45 45 LYS N N 15 121.971 0.000 . 1 . . . . 40 K N . 17953 1 261 . 1 1 46 46 PHE H H 1 9.407 0.000 . 1 . . . . 41 F H . 17953 1 262 . 1 1 46 46 PHE HA H 1 5.045 0.000 . 1 . . . . 41 F HA . 17953 1 263 . 1 1 46 46 PHE HB2 H 1 2.741 0.000 . 2 . . . . 41 F HB2 . 17953 1 264 . 1 1 46 46 PHE HB3 H 1 2.859 0.000 . 2 . . . . 41 F HB3 . 17953 1 265 . 1 1 46 46 PHE HD1 H 1 7.141 0.000 . 3 . . . . 41 F QD . 17953 1 266 . 1 1 46 46 PHE HD2 H 1 7.141 0.000 . 3 . . . . 41 F QD . 17953 1 267 . 1 1 46 46 PHE C C 13 174.441 0.000 . 1 . . . . 41 F C . 17953 1 268 . 1 1 46 46 PHE CA C 13 56.198 0.000 . 1 . . . . 41 F CA . 17953 1 269 . 1 1 46 46 PHE CB C 13 43.465 0.000 . 1 . . . . 41 F CB . 17953 1 270 . 1 1 46 46 PHE CD1 C 13 132.583 0.000 . 3 . . . . 41 F CD1 . 17953 1 271 . 1 1 46 46 PHE CE1 C 13 131.400 0.000 . 3 . . . . 41 F CE1 . 17953 1 272 . 1 1 46 46 PHE CZ C 13 130.365 0.000 . 1 . . . . 41 F CZ . 17953 1 273 . 1 1 46 46 PHE N N 15 120.645 0.000 . 1 . . . . 41 F N . 17953 1 274 . 1 1 47 47 ALA H H 1 9.450 0.000 . 1 . . . . 42 A H . 17953 1 275 . 1 1 47 47 ALA HA H 1 5.360 0.000 . 1 . . . . 42 A HA . 17953 1 276 . 1 1 47 47 ALA HB1 H 1 0.977 0.000 . . . . . . 42 A QB . 17953 1 277 . 1 1 47 47 ALA HB2 H 1 0.977 0.000 . . . . . . 42 A QB . 17953 1 278 . 1 1 47 47 ALA HB3 H 1 0.977 0.000 . . . . . . 42 A QB . 17953 1 279 . 1 1 47 47 ALA C C 13 176.413 0.000 . 1 . . . . 42 A C . 17953 1 280 . 1 1 47 47 ALA CA C 13 50.191 0.000 . 1 . . . . 42 A CA . 17953 1 281 . 1 1 47 47 ALA CB C 13 19.983 0.000 . 1 . . . . 42 A CB . 17953 1 282 . 1 1 47 47 ALA N N 15 123.466 0.000 . 1 . . . . 42 A N . 17953 1 283 . 1 1 48 48 THR H H 1 9.299 0.000 . 1 . . . . 43 T H . 17953 1 284 . 1 1 48 48 THR HA H 1 5.109 0.000 . 1 . . . . 43 T HA . 17953 1 285 . 1 1 48 48 THR HB H 1 3.234 0.000 . 1 . . . . 43 T HB . 17953 1 286 . 1 1 48 48 THR HG21 H 1 -0.030 0.000 . . . . . . 43 T QG2 . 17953 1 287 . 1 1 48 48 THR HG22 H 1 -0.030 0.000 . . . . . . 43 T QG2 . 17953 1 288 . 1 1 48 48 THR HG23 H 1 -0.030 0.000 . . . . . . 43 T QG2 . 17953 1 289 . 1 1 48 48 THR C C 13 173.483 0.000 . 1 . . . . 43 T C . 17953 1 290 . 1 1 48 48 THR CA C 13 57.400 0.000 . 1 . . . . 43 T CA . 17953 1 291 . 1 1 48 48 THR CB C 13 72.131 0.000 . 1 . . . . 43 T CB . 17953 1 292 . 1 1 48 48 THR CG2 C 13 21.164 0.000 . 1 . . . . 43 T CG2 . 17953 1 293 . 1 1 48 48 THR N N 15 113.729 0.000 . 1 . . . . 43 T N . 17953 1 294 . 1 1 49 49 VAL H H 1 6.614 0.000 . 1 . . . . 44 V H . 17953 1 295 . 1 1 49 49 VAL HA H 1 4.240 0.000 . 1 . . . . 44 V HA . 17953 1 296 . 1 1 49 49 VAL HB H 1 1.390 0.000 . 1 . . . . 44 V HB . 17953 1 297 . 1 1 49 49 VAL HG11 H 1 0.625 0.000 . . . . . . 44 V QG1 . 17953 1 298 . 1 1 49 49 VAL HG12 H 1 0.625 0.000 . . . . . . 44 V QG1 . 17953 1 299 . 1 1 49 49 VAL HG13 H 1 0.625 0.000 . . . . . . 44 V QG1 . 17953 1 300 . 1 1 49 49 VAL C C 13 173.863 0.000 . 1 . . . . 44 V C . 17953 1 301 . 1 1 49 49 VAL CA C 13 61.347 0.000 . 1 . . . . 44 V CA . 17953 1 302 . 1 1 49 49 VAL CB C 13 36.537 0.000 . 1 . . . . 44 V CB . 17953 1 303 . 1 1 49 49 VAL CG1 C 13 22.074 0.000 . 2 . . . . 44 V CG1 . 17953 1 304 . 1 1 49 49 VAL CG2 C 13 22.777 0.000 . 2 . . . . 44 V CG2 . 17953 1 305 . 1 1 49 49 VAL N N 15 115.742 0.000 . 1 . . . . 44 V N . 17953 1 306 . 1 1 50 50 GLU H H 1 8.961 0.000 . 1 . . . . 45 E H . 17953 1 307 . 1 1 50 50 GLU HA H 1 5.107 0.000 . 1 . . . . 45 E HA . 17953 1 308 . 1 1 50 50 GLU HB2 H 1 1.924 0.000 . 2 . . . . 45 E HB2 . 17953 1 309 . 1 1 50 50 GLU HB3 H 1 1.728 0.000 . 2 . . . . 45 E HB3 . 17953 1 310 . 1 1 50 50 GLU HG2 H 1 2.209 0.000 . 2 . . . . 45 E HG2 . 17953 1 311 . 1 1 50 50 GLU HG3 H 1 1.924 0.000 . 2 . . . . 45 E HG3 . 17953 1 312 . 1 1 50 50 GLU C C 13 174.948 0.000 . 1 . . . . 45 E C . 17953 1 313 . 1 1 50 50 GLU CA C 13 54.962 0.000 . 1 . . . . 45 E CA . 17953 1 314 . 1 1 50 50 GLU CB C 13 32.376 0.000 . 1 . . . . 45 E CB . 17953 1 315 . 1 1 50 50 GLU CG C 13 37.338 0.000 . 1 . . . . 45 E CG . 17953 1 316 . 1 1 50 50 GLU N N 15 129.795 0.000 . 1 . . . . 45 E N . 17953 1 317 . 1 1 51 51 VAL H H 1 8.685 0.000 . 1 . . . . 46 V H . 17953 1 318 . 1 1 51 51 VAL HA H 1 4.417 0.000 . 1 . . . . 46 V HA . 17953 1 319 . 1 1 51 51 VAL HB H 1 1.725 0.000 . 1 . . . . 46 V HB . 17953 1 320 . 1 1 51 51 VAL HG11 H 1 0.802 0.000 . . . . . . 46 V QG1 . 17953 1 321 . 1 1 51 51 VAL HG12 H 1 0.802 0.000 . . . . . . 46 V QG1 . 17953 1 322 . 1 1 51 51 VAL HG13 H 1 0.802 0.000 . . . . . . 46 V QG1 . 17953 1 323 . 1 1 51 51 VAL HG21 H 1 0.658 0.000 . . . . . . 46 V QG2 . 17953 1 324 . 1 1 51 51 VAL HG22 H 1 0.658 0.000 . . . . . . 46 V QG2 . 17953 1 325 . 1 1 51 51 VAL HG23 H 1 0.658 0.000 . . . . . . 46 V QG2 . 17953 1 326 . 1 1 51 51 VAL C C 13 175.273 0.000 . 1 . . . . 46 V C . 17953 1 327 . 1 1 51 51 VAL CA C 13 61.450 0.000 . 1 . . . . 46 V CA . 17953 1 328 . 1 1 51 51 VAL CB C 13 35.641 0.000 . 1 . . . . 46 V CB . 17953 1 329 . 1 1 51 51 VAL CG1 C 13 21.288 0.000 . 2 . . . . 46 V CG1 . 17953 1 330 . 1 1 51 51 VAL CG2 C 13 22.186 0.000 . 2 . . . . 46 V CG2 . 17953 1 331 . 1 1 51 51 VAL N N 15 125.695 0.000 . 1 . . . . 46 V N . 17953 1 332 . 1 1 52 52 THR H H 1 8.727 0.000 . 1 . . . . 47 T H . 17953 1 333 . 1 1 52 52 THR HA H 1 4.760 0.000 . 1 . . . . 47 T HA . 17953 1 334 . 1 1 52 52 THR HB H 1 4.188 0.000 . 1 . . . . 47 T HB . 17953 1 335 . 1 1 52 52 THR HG21 H 1 1.149 0.000 . . . . . . 47 T QG2 . 17953 1 336 . 1 1 52 52 THR HG22 H 1 1.149 0.000 . . . . . . 47 T QG2 . 17953 1 337 . 1 1 52 52 THR HG23 H 1 1.149 0.000 . . . . . . 47 T QG2 . 17953 1 338 . 1 1 52 52 THR C C 13 173.351 0.000 . 1 . . . . 47 T C . 17953 1 339 . 1 1 52 52 THR CA C 13 61.073 0.000 . 1 . . . . 47 T CA . 17953 1 340 . 1 1 52 52 THR CB C 13 71.396 0.000 . 1 . . . . 47 T CB . 17953 1 341 . 1 1 52 52 THR CG2 C 13 22.110 0.000 . 1 . . . . 47 T CG2 . 17953 1 342 . 1 1 52 52 THR N N 15 119.718 0.000 . 1 . . . . 47 T N . 17953 1 343 . 1 1 53 53 ASP H H 1 8.258 0.000 . 1 . . . . 48 D H . 17953 1 344 . 1 1 53 53 ASP HA H 1 4.400 0.000 . 1 . . . . 48 D HA . 17953 1 345 . 1 1 53 53 ASP HB2 H 1 2.955 0.000 . 2 . . . . 48 D QB . 17953 1 346 . 1 1 53 53 ASP HB3 H 1 2.955 0.000 . 2 . . . . 48 D QB . 17953 1 347 . 1 1 53 53 ASP C C 13 174.775 0.000 . 1 . . . . 48 D C . 17953 1 348 . 1 1 53 53 ASP CA C 13 56.822 0.000 . 1 . . . . 48 D CA . 17953 1 349 . 1 1 53 53 ASP CB C 13 39.672 0.000 . 1 . . . . 48 D CB . 17953 1 350 . 1 1 53 53 ASP N N 15 115.182 0.000 . 1 . . . . 48 D N . 17953 1 351 . 1 1 54 54 LYS H H 1 7.833 0.000 . 1 . . . . 49 K H . 17953 1 352 . 1 1 54 54 LYS HA H 1 4.925 0.000 . 1 . . . . 49 K HA . 17953 1 353 . 1 1 54 54 LYS HB2 H 1 2.415 0.000 . 2 . . . . 49 K HB2 . 17953 1 354 . 1 1 54 54 LYS HB3 H 1 2.342 0.000 . 2 . . . . 49 K HB3 . 17953 1 355 . 1 1 54 54 LYS HG2 H 1 2.088 0.000 . 2 . . . . 49 K HG2 . 17953 1 356 . 1 1 54 54 LYS HG3 H 1 1.983 0.000 . 2 . . . . 49 K HG3 . 17953 1 357 . 1 1 54 54 LYS HD2 H 1 1.387 0.000 . 2 . . . . 49 K HD2 . 17953 1 358 . 1 1 54 54 LYS HD3 H 1 1.463 0.000 . 2 . . . . 49 K HD3 . 17953 1 359 . 1 1 54 54 LYS HE2 H 1 3.005 0.000 . 2 . . . . 49 K QE . 17953 1 360 . 1 1 54 54 LYS HE3 H 1 3.005 0.000 . 2 . . . . 49 K QE . 17953 1 361 . 1 1 54 54 LYS CA C 13 53.658 0.000 . 1 . . . . 49 K CA . 17953 1 362 . 1 1 54 54 LYS CB C 13 35.506 0.000 . 1 . . . . 49 K CB . 17953 1 363 . 1 1 54 54 LYS CE C 13 42.556 0.000 . 1 . . . . 49 K CE . 17953 1 364 . 1 1 54 54 LYS N N 15 118.416 0.000 . 1 . . . . 49 K N . 17953 1 365 . 1 1 55 55 PRO HA H 1 4.716 0.000 . 1 . . . . 50 P HA . 17953 1 366 . 1 1 55 55 PRO HB2 H 1 2.058 0.000 . 2 . . . . 50 P HB2 . 17953 1 367 . 1 1 55 55 PRO HB3 H 1 2.165 0.000 . 2 . . . . 50 P HB3 . 17953 1 368 . 1 1 55 55 PRO HG2 H 1 2.546 0.000 . 2 . . . . 50 P HG2 . 17953 1 369 . 1 1 55 55 PRO HG3 H 1 2.532 0.000 . 2 . . . . 50 P HG3 . 17953 1 370 . 1 1 55 55 PRO HD2 H 1 3.661 0.000 . 2 . . . . 50 P HD2 . 17953 1 371 . 1 1 55 55 PRO HD3 H 1 3.808 0.000 . 2 . . . . 50 P HD3 . 17953 1 372 . 1 1 55 55 PRO C C 13 177.389 0.000 . 1 . . . . 50 P C . 17953 1 373 . 1 1 55 55 PRO CA C 13 62.377 0.000 . 1 . . . . 50 P CA . 17953 1 374 . 1 1 55 55 PRO CB C 13 32.829 0.000 . 1 . . . . 50 P CB . 17953 1 375 . 1 1 55 55 PRO CD C 13 50.917 0.000 . 1 . . . . 50 P CD . 17953 1 376 . 1 1 56 56 VAL H H 1 8.591 0.000 . 1 . . . . 51 V H . 17953 1 377 . 1 1 56 56 VAL HA H 1 3.571 0.000 . 1 . . . . 51 V HA . 17953 1 378 . 1 1 56 56 VAL HB H 1 2.128 0.000 . 1 . . . . 51 V HB . 17953 1 379 . 1 1 56 56 VAL HG11 H 1 1.371 0.000 . . . . . . 51 V QG1 . 17953 1 380 . 1 1 56 56 VAL HG12 H 1 1.371 0.000 . . . . . . 51 V QG1 . 17953 1 381 . 1 1 56 56 VAL HG13 H 1 1.371 0.000 . . . . . . 51 V QG1 . 17953 1 382 . 1 1 56 56 VAL HG21 H 1 1.082 0.000 . . . . . . 51 V QG2 . 17953 1 383 . 1 1 56 56 VAL HG22 H 1 1.082 0.000 . . . . . . 51 V QG2 . 17953 1 384 . 1 1 56 56 VAL HG23 H 1 1.082 0.000 . . . . . . 51 V QG2 . 17953 1 385 . 1 1 56 56 VAL C C 13 176.666 0.000 . 1 . . . . 51 V C . 17953 1 386 . 1 1 56 56 VAL CA C 13 68.091 0.000 . 1 . . . . 51 V CA . 17953 1 387 . 1 1 56 56 VAL CB C 13 32.764 0.000 . 1 . . . . 51 V CB . 17953 1 388 . 1 1 56 56 VAL CG1 C 13 20.847 0.000 . 2 . . . . 51 V CG1 . 17953 1 389 . 1 1 56 56 VAL CG2 C 13 24.133 0.000 . 2 . . . . 51 V CG2 . 17953 1 390 . 1 1 56 56 VAL N N 15 122.094 0.000 . 1 . . . . 51 V N . 17953 1 391 . 1 1 57 57 ASP H H 1 9.304 0.000 . 1 . . . . 52 D H . 17953 1 392 . 1 1 57 57 ASP HA H 1 4.695 0.000 . 1 . . . . 52 D HA . 17953 1 393 . 1 1 57 57 ASP HB2 H 1 2.754 0.000 . 2 . . . . 52 D HB2 . 17953 1 394 . 1 1 57 57 ASP HB3 H 1 2.913 0.000 . 2 . . . . 52 D HB3 . 17953 1 395 . 1 1 57 57 ASP C C 13 179.415 0.000 . 1 . . . . 52 D C . 17953 1 396 . 1 1 57 57 ASP CA C 13 59.285 0.000 . 1 . . . . 52 D CA . 17953 1 397 . 1 1 57 57 ASP CB C 13 41.110 0.000 . 1 . . . . 52 D CB . 17953 1 398 . 1 1 57 57 ASP N N 15 117.160 0.000 . 1 . . . . 52 D N . 17953 1 399 . 1 1 58 58 GLU H H 1 7.391 0.000 . 1 . . . . 53 E H . 17953 1 400 . 1 1 58 58 GLU HA H 1 4.239 0.000 . 1 . . . . 53 E HA . 17953 1 401 . 1 1 58 58 GLU HB2 H 1 2.084 0.000 . 2 . . . . 53 E QB . 17953 1 402 . 1 1 58 58 GLU HB3 H 1 2.084 0.000 . 2 . . . . 53 E QB . 17953 1 403 . 1 1 58 58 GLU HG2 H 1 2.370 0.000 . 2 . . . . 53 E QG . 17953 1 404 . 1 1 58 58 GLU HG3 H 1 2.370 0.000 . 2 . . . . 53 E QG . 17953 1 405 . 1 1 58 58 GLU C C 13 179.306 0.000 . 1 . . . . 53 E C . 17953 1 406 . 1 1 58 58 GLU CA C 13 58.958 0.000 . 1 . . . . 53 E CA . 17953 1 407 . 1 1 58 58 GLU CB C 13 30.635 0.000 . 1 . . . . 53 E CB . 17953 1 408 . 1 1 58 58 GLU N N 15 118.876 0.000 . 1 . . . . 53 E N . 17953 1 409 . 1 1 59 59 ALA H H 1 9.153 0.000 . 1 . . . . 54 A H . 17953 1 410 . 1 1 59 59 ALA HA H 1 3.892 0.000 . 1 . . . . 54 A HA . 17953 1 411 . 1 1 59 59 ALA HB1 H 1 1.326 0.000 . . . . . . 54 A QB . 17953 1 412 . 1 1 59 59 ALA HB2 H 1 1.326 0.000 . . . . . . 54 A QB . 17953 1 413 . 1 1 59 59 ALA HB3 H 1 1.326 0.000 . . . . . . 54 A QB . 17953 1 414 . 1 1 59 59 ALA C C 13 179.957 0.000 . 1 . . . . 54 A C . 17953 1 415 . 1 1 59 59 ALA CA C 13 55.410 0.000 . 1 . . . . 54 A CA . 17953 1 416 . 1 1 59 59 ALA CB C 13 18.885 0.000 . 1 . . . . 54 A CB . 17953 1 417 . 1 1 59 59 ALA N N 15 124.810 0.000 . 1 . . . . 54 A N . 17953 1 418 . 1 1 60 60 LEU H H 1 8.586 0.000 . 1 . . . . 55 L H . 17953 1 419 . 1 1 60 60 LEU HA H 1 3.700 0.000 . 1 . . . . 55 L HA . 17953 1 420 . 1 1 60 60 LEU HB2 H 1 1.662 0.000 . 2 . . . . 55 L HB2 . 17953 1 421 . 1 1 60 60 LEU HB3 H 1 1.738 0.000 . 2 . . . . 55 L HB3 . 17953 1 422 . 1 1 60 60 LEU HG H 1 1.337 0.000 . 1 . . . . 55 L HG . 17953 1 423 . 1 1 60 60 LEU HD11 H 1 0.861 0.000 . . . . . . 55 L QD1 . 17953 1 424 . 1 1 60 60 LEU HD12 H 1 0.861 0.000 . . . . . . 55 L QD1 . 17953 1 425 . 1 1 60 60 LEU HD13 H 1 0.861 0.000 . . . . . . 55 L QD1 . 17953 1 426 . 1 1 60 60 LEU HD21 H 1 0.574 0.000 . . . . . . 55 L QD2 . 17953 1 427 . 1 1 60 60 LEU HD22 H 1 0.574 0.000 . . . . . . 55 L QD2 . 17953 1 428 . 1 1 60 60 LEU HD23 H 1 0.574 0.000 . . . . . . 55 L QD2 . 17953 1 429 . 1 1 60 60 LEU C C 13 178.646 0.000 . 1 . . . . 55 L C . 17953 1 430 . 1 1 60 60 LEU CA C 13 58.797 0.000 . 1 . . . . 55 L CA . 17953 1 431 . 1 1 60 60 LEU CB C 13 43.112 0.000 . 1 . . . . 55 L CB . 17953 1 432 . 1 1 60 60 LEU CG C 13 26.639 0.000 . 1 . . . . 55 L CG . 17953 1 433 . 1 1 60 60 LEU CD1 C 13 23.770 0.000 . 2 . . . . 55 L CD1 . 17953 1 434 . 1 1 60 60 LEU CD2 C 13 24.148 0.000 . 2 . . . . 55 L CD2 . 17953 1 435 . 1 1 60 60 LEU N N 15 119.085 0.000 . 1 . . . . 55 L N . 17953 1 436 . 1 1 61 61 ARG H H 1 7.355 0.000 . 1 . . . . 56 R H . 17953 1 437 . 1 1 61 61 ARG HA H 1 4.547 0.000 . 1 . . . . 56 R HA . 17953 1 438 . 1 1 61 61 ARG HB2 H 1 1.928 0.000 . 2 . . . . 56 R HB2 . 17953 1 439 . 1 1 61 61 ARG HG2 H 1 1.901 0.000 . 2 . . . . 56 R HG2 . 17953 1 440 . 1 1 61 61 ARG HG3 H 1 1.650 0.000 . 2 . . . . 56 R HG3 . 17953 1 441 . 1 1 61 61 ARG HE H 1 6.571 0.000 . 1 . . . . 56 R HE . 17953 1 442 . 1 1 61 61 ARG C C 13 176.731 0.000 . 1 . . . . 56 R C . 17953 1 443 . 1 1 61 61 ARG CA C 13 59.700 0.000 . 1 . . . . 56 R CA . 17953 1 444 . 1 1 61 61 ARG CB C 13 30.527 0.000 . 1 . . . . 56 R CB . 17953 1 445 . 1 1 61 61 ARG CG C 13 28.385 0.000 . 1 . . . . 56 R CG . 17953 1 446 . 1 1 61 61 ARG CD C 13 43.825 0.000 . 1 . . . . 56 R CD . 17953 1 447 . 1 1 61 61 ARG N N 15 116.930 0.000 . 1 . . . . 56 R N . 17953 1 448 . 1 1 62 62 GLU H H 1 7.353 0.000 . 1 . . . . 57 E H . 17953 1 449 . 1 1 62 62 GLU HA H 1 4.263 0.000 . 1 . . . . 57 E HA . 17953 1 450 . 1 1 62 62 GLU HB2 H 1 2.060 0.000 . 2 . . . . 57 E QB . 17953 1 451 . 1 1 62 62 GLU HB3 H 1 2.060 0.000 . 2 . . . . 57 E QB . 17953 1 452 . 1 1 62 62 GLU HG2 H 1 2.234 0.000 . 2 . . . . 57 E QG . 17953 1 453 . 1 1 62 62 GLU HG3 H 1 2.234 0.000 . 2 . . . . 57 E QG . 17953 1 454 . 1 1 62 62 GLU C C 13 178.259 0.000 . 1 . . . . 57 E C . 17953 1 455 . 1 1 62 62 GLU CA C 13 57.746 0.000 . 1 . . . . 57 E CA . 17953 1 456 . 1 1 62 62 GLU CB C 13 30.390 0.000 . 1 . . . . 57 E CB . 17953 1 457 . 1 1 62 62 GLU CG C 13 36.513 0.000 . 1 . . . . 57 E CG . 17953 1 458 . 1 1 62 62 GLU N N 15 117.027 0.000 . 1 . . . . 57 E N . 17953 1 459 . 1 1 63 63 ALA H H 1 8.225 0.000 . 1 . . . . 58 A H . 17953 1 460 . 1 1 63 63 ALA HA H 1 3.702 0.000 . 1 . . . . 58 A HA . 17953 1 461 . 1 1 63 63 ALA HB1 H 1 0.948 0.000 . . . . . . 58 A QB . 17953 1 462 . 1 1 63 63 ALA HB2 H 1 0.948 0.000 . . . . . . 58 A QB . 17953 1 463 . 1 1 63 63 ALA HB3 H 1 0.948 0.000 . . . . . . 58 A QB . 17953 1 464 . 1 1 63 63 ALA C C 13 178.655 0.000 . 1 . . . . 58 A C . 17953 1 465 . 1 1 63 63 ALA CA C 13 55.084 0.000 . 1 . . . . 58 A CA . 17953 1 466 . 1 1 63 63 ALA CB C 13 20.675 0.000 . 1 . . . . 58 A CB . 17953 1 467 . 1 1 63 63 ALA N N 15 119.348 0.000 . 1 . . . . 58 A N . 17953 1 468 . 1 1 64 64 MET H H 1 7.673 0.000 . 1 . . . . 59 M H . 17953 1 469 . 1 1 64 64 MET HA H 1 4.572 0.000 . 1 . . . . 59 M HA . 17953 1 470 . 1 1 64 64 MET HG2 H 1 2.461 0.000 . 2 . . . . 59 M HG2 . 17953 1 471 . 1 1 64 64 MET HG3 H 1 2.354 0.000 . 2 . . . . 59 M HG3 . 17953 1 472 . 1 1 64 64 MET CA C 13 55.821 0.000 . 1 . . . . 59 M CA . 17953 1 473 . 1 1 64 64 MET CB C 13 28.250 0.000 . 1 . . . . 59 M CB . 17953 1 474 . 1 1 64 64 MET CE C 13 16.035 0.000 . 1 . . . . 59 M CE . 17953 1 475 . 1 1 64 64 MET N N 15 113.613 0.000 . 1 . . . . 59 M N . 17953 1 476 . 1 1 65 65 PRO HA H 1 4.119 0.000 . 1 . . . . 60 P HA . 17953 1 477 . 1 1 65 65 PRO HB2 H 1 2.368 0.000 . 2 . . . . 60 P HB2 . 17953 1 478 . 1 1 65 65 PRO HB3 H 1 1.728 0.000 . 2 . . . . 60 P HB3 . 17953 1 479 . 1 1 65 65 PRO HG2 H 1 2.100 0.000 . 2 . . . . 60 P HG2 . 17953 1 480 . 1 1 65 65 PRO HG3 H 1 1.934 0.000 . 2 . . . . 60 P HG3 . 17953 1 481 . 1 1 65 65 PRO HD2 H 1 3.393 0.000 . 2 . . . . 60 P HD2 . 17953 1 482 . 1 1 65 65 PRO HD3 H 1 3.564 0.000 . 2 . . . . 60 P HD3 . 17953 1 483 . 1 1 65 65 PRO C C 13 178.662 0.000 . 1 . . . . 60 P C . 17953 1 484 . 1 1 65 65 PRO CA C 13 65.776 0.000 . 1 . . . . 60 P CA . 17953 1 485 . 1 1 65 65 PRO CB C 13 31.642 0.000 . 1 . . . . 60 P CB . 17953 1 486 . 1 1 65 65 PRO CG C 13 28.860 0.000 . 1 . . . . 60 P CG . 17953 1 487 . 1 1 65 65 PRO CD C 13 51.714 0.000 . 1 . . . . 60 P CD . 17953 1 488 . 1 1 66 66 LYS H H 1 6.244 0.000 . 1 . . . . 61 K H . 17953 1 489 . 1 1 66 66 LYS HA H 1 3.671 0.000 . 1 . . . . 61 K HA . 17953 1 490 . 1 1 66 66 LYS HB2 H 1 1.659 0.000 . 2 . . . . 61 K HB2 . 17953 1 491 . 1 1 66 66 LYS HB3 H 1 1.582 0.000 . 2 . . . . 61 K HB3 . 17953 1 492 . 1 1 66 66 LYS HG2 H 1 1.315 0.000 . 2 . . . . 61 K HG2 . 17953 1 493 . 1 1 66 66 LYS HG3 H 1 1.155 0.000 . 2 . . . . 61 K HG3 . 17953 1 494 . 1 1 66 66 LYS HD2 H 1 1.472 0.000 . 2 . . . . 61 K QD . 17953 1 495 . 1 1 66 66 LYS HD3 H 1 1.472 0.000 . 2 . . . . 61 K QD . 17953 1 496 . 1 1 66 66 LYS HE2 H 1 2.858 0.000 . 2 . . . . 61 K QE . 17953 1 497 . 1 1 66 66 LYS HE3 H 1 2.858 0.000 . 2 . . . . 61 K QE . 17953 1 498 . 1 1 66 66 LYS C C 13 179.596 0.000 . 1 . . . . 61 K C . 17953 1 499 . 1 1 66 66 LYS CA C 13 59.322 0.000 . 1 . . . . 61 K CA . 17953 1 500 . 1 1 66 66 LYS CB C 13 32.781 0.000 . 1 . . . . 61 K CB . 17953 1 501 . 1 1 66 66 LYS CG C 13 26.310 0.000 . 1 . . . . 61 K CG . 17953 1 502 . 1 1 66 66 LYS CE C 13 42.210 0.000 . 1 . . . . 61 K CE . 17953 1 503 . 1 1 66 66 LYS N N 15 112.814 0.000 . 1 . . . . 61 K N . 17953 1 504 . 1 1 67 67 ILE H H 1 6.385 0.000 . 1 . . . . 62 I H . 17953 1 505 . 1 1 67 67 ILE HA H 1 3.046 0.000 . 1 . . . . 62 I HA . 17953 1 506 . 1 1 67 67 ILE HB H 1 0.971 0.000 . 1 . . . . 62 I HB . 17953 1 507 . 1 1 67 67 ILE HG12 H 1 1.497 0.000 . 2 . . . . 62 I HG12 . 17953 1 508 . 1 1 67 67 ILE HG13 H 1 1.320 0.000 . 2 . . . . 62 I HG13 . 17953 1 509 . 1 1 67 67 ILE HG21 H 1 0.891 0.000 . . . . . . 62 I QG2 . 17953 1 510 . 1 1 67 67 ILE HG22 H 1 0.891 0.000 . . . . . . 62 I QG2 . 17953 1 511 . 1 1 67 67 ILE HG23 H 1 0.891 0.000 . . . . . . 62 I QG2 . 17953 1 512 . 1 1 67 67 ILE HD11 H 1 0.620 0.000 . . . . . . 62 I QD1 . 17953 1 513 . 1 1 67 67 ILE HD12 H 1 0.620 0.000 . . . . . . 62 I QD1 . 17953 1 514 . 1 1 67 67 ILE HD13 H 1 0.620 0.000 . . . . . . 62 I QD1 . 17953 1 515 . 1 1 67 67 ILE C C 13 176.250 0.000 . 1 . . . . 62 I C . 17953 1 516 . 1 1 67 67 ILE CA C 13 61.313 0.000 . 1 . . . . 62 I CA . 17953 1 517 . 1 1 67 67 ILE CB C 13 34.884 0.000 . 1 . . . . 62 I CB . 17953 1 518 . 1 1 67 67 ILE CG1 C 13 27.308 0.000 . 1 . . . . 62 I CG1 . 17953 1 519 . 1 1 67 67 ILE CG2 C 13 16.744 0.000 . 1 . . . . 62 I CG2 . 17953 1 520 . 1 1 67 67 ILE CD1 C 13 9.506 0.000 . 1 . . . . 62 I CD1 . 17953 1 521 . 1 1 67 67 ILE N N 15 119.855 0.000 . 1 . . . . 62 I N . 17953 1 522 . 1 1 68 68 MET H H 1 6.619 0.000 . 1 . . . . 63 M H . 17953 1 523 . 1 1 68 68 MET HA H 1 4.167 0.000 . 1 . . . . 63 M HA . 17953 1 524 . 1 1 68 68 MET HB2 H 1 1.470 0.000 . 2 . . . . 63 M QB . 17953 1 525 . 1 1 68 68 MET HB3 H 1 1.470 0.000 . 2 . . . . 63 M QB . 17953 1 526 . 1 1 68 68 MET C C 13 179.851 0.000 . 1 . . . . 63 M C . 17953 1 527 . 1 1 68 68 MET CA C 13 55.134 0.000 . 1 . . . . 63 M CA . 17953 1 528 . 1 1 68 68 MET CB C 13 30.543 0.000 . 1 . . . . 63 M CB . 17953 1 529 . 1 1 68 68 MET CG C 13 32.108 0.000 . 1 . . . . 63 M CG . 17953 1 530 . 1 1 68 68 MET CE C 13 17.103 0.000 . 1 . . . . 63 M CE . 17953 1 531 . 1 1 68 68 MET N N 15 114.712 0.000 . 1 . . . . 63 M N . 17953 1 532 . 1 1 69 69 LYS H H 1 7.769 0.000 . 1 . . . . 64 K H . 17953 1 533 . 1 1 69 69 LYS HA H 1 3.884 0.000 . 1 . . . . 64 K HA . 17953 1 534 . 1 1 69 69 LYS HB2 H 1 1.652 0.000 . 2 . . . . 64 K HB2 . 17953 1 535 . 1 1 69 69 LYS HB3 H 1 1.487 0.000 . 2 . . . . 64 K HB3 . 17953 1 536 . 1 1 69 69 LYS HE2 H 1 2.937 0.000 . 2 . . . . 64 K QE . 17953 1 537 . 1 1 69 69 LYS HE3 H 1 2.937 0.000 . 2 . . . . 64 K QE . 17953 1 538 . 1 1 69 69 LYS C C 13 178.655 0.000 . 1 . . . . 64 K C . 17953 1 539 . 1 1 69 69 LYS CA C 13 59.253 0.000 . 1 . . . . 64 K CA . 17953 1 540 . 1 1 69 69 LYS CB C 13 31.486 0.000 . 1 . . . . 64 K CB . 17953 1 541 . 1 1 69 69 LYS CG C 13 26.330 0.000 . 1 . . . . 64 K CG . 17953 1 542 . 1 1 69 69 LYS CD C 13 30.389 0.000 . 1 . . . . 64 K CD . 17953 1 543 . 1 1 69 69 LYS CE C 13 42.313 0.000 . 1 . . . . 64 K CE . 17953 1 544 . 1 1 69 69 LYS N N 15 120.172 0.000 . 1 . . . . 64 K N . 17953 1 545 . 1 1 70 70 TYR H H 1 7.105 0.000 . 1 . . . . 65 Y H . 17953 1 546 . 1 1 70 70 TYR HA H 1 4.296 0.000 . 1 . . . . 65 Y HA . 17953 1 547 . 1 1 70 70 TYR HB2 H 1 2.901 0.000 . 2 . . . . 65 Y HB2 . 17953 1 548 . 1 1 70 70 TYR HB3 H 1 3.095 0.000 . 2 . . . . 65 Y HB3 . 17953 1 549 . 1 1 70 70 TYR HE1 H 1 6.177 0.000 . 3 . . . . 65 Y QE . 17953 1 550 . 1 1 70 70 TYR HE2 H 1 6.177 0.000 . 3 . . . . 65 Y QE . 17953 1 551 . 1 1 70 70 TYR C C 13 177.244 0.000 . 1 . . . . 65 Y C . 17953 1 552 . 1 1 70 70 TYR CA C 13 61.096 0.000 . 1 . . . . 65 Y CA . 17953 1 553 . 1 1 70 70 TYR CB C 13 37.188 0.000 . 1 . . . . 65 Y CB . 17953 1 554 . 1 1 70 70 TYR CE1 C 13 117.094 0.000 . 3 . . . . 65 Y CE1 . 17953 1 555 . 1 1 70 70 TYR N N 15 122.337 0.000 . 1 . . . . 65 Y N . 17953 1 556 . 1 1 71 71 VAL H H 1 7.610 0.000 . 1 . . . . 66 V H . 17953 1 557 . 1 1 71 71 VAL HA H 1 3.486 0.000 . 1 . . . . 66 V HA . 17953 1 558 . 1 1 71 71 VAL HB H 1 2.090 0.000 . 1 . . . . 66 V HB . 17953 1 559 . 1 1 71 71 VAL HG11 H 1 0.633 0.000 . . . . . . 66 V QG1 . 17953 1 560 . 1 1 71 71 VAL HG12 H 1 0.633 0.000 . . . . . . 66 V QG1 . 17953 1 561 . 1 1 71 71 VAL HG13 H 1 0.633 0.000 . . . . . . 66 V QG1 . 17953 1 562 . 1 1 71 71 VAL HG21 H 1 0.488 0.000 . . . . . . 66 V QG2 . 17953 1 563 . 1 1 71 71 VAL HG22 H 1 0.488 0.000 . . . . . . 66 V QG2 . 17953 1 564 . 1 1 71 71 VAL HG23 H 1 0.488 0.000 . . . . . . 66 V QG2 . 17953 1 565 . 1 1 71 71 VAL C C 13 176.978 0.000 . 1 . . . . 66 V C . 17953 1 566 . 1 1 71 71 VAL CA C 13 63.785 0.000 . 1 . . . . 66 V CA . 17953 1 567 . 1 1 71 71 VAL CB C 13 31.117 0.000 . 1 . . . . 66 V CB . 17953 1 568 . 1 1 71 71 VAL CG1 C 13 22.409 0.000 . 2 . . . . 66 V CG1 . 17953 1 569 . 1 1 71 71 VAL CG2 C 13 20.950 0.000 . 2 . . . . 66 V CG2 . 17953 1 570 . 1 1 71 71 VAL N N 15 113.949 0.000 . 1 . . . . 66 V N . 17953 1 571 . 1 1 72 72 GLY H H 1 7.461 0.000 . 1 . . . . 67 G H . 17953 1 572 . 1 1 72 72 GLY HA2 H 1 3.643 0.000 . 2 . . . . 67 G HA2 . 17953 1 573 . 1 1 72 72 GLY HA3 H 1 4.185 0.000 . 2 . . . . 67 G HA3 . 17953 1 574 . 1 1 72 72 GLY C C 13 174.423 0.000 . 1 . . . . 67 G C . 17953 1 575 . 1 1 72 72 GLY CA C 13 44.973 0.000 . 1 . . . . 67 G CA . 17953 1 576 . 1 1 72 72 GLY N N 15 106.628 0.000 . 1 . . . . 67 G N . 17953 1 577 . 1 1 73 73 GLY H H 1 6.828 0.000 . 1 . . . . 68 G H . 17953 1 578 . 1 1 73 73 GLY HA2 H 1 3.140 0.000 . 2 . . . . 68 G HA2 . 17953 1 579 . 1 1 73 73 GLY HA3 H 1 4.320 0.000 . 2 . . . . 68 G HA3 . 17953 1 580 . 1 1 73 73 GLY C C 13 174.568 0.000 . 1 . . . . 68 G C . 17953 1 581 . 1 1 73 73 GLY CA C 13 44.464 0.000 . 1 . . . . 68 G CA . 17953 1 582 . 1 1 73 73 GLY N N 15 105.143 0.000 . 1 . . . . 68 G N . 17953 1 583 . 1 1 74 74 THR H H 1 8.575 0.000 . 1 . . . . 69 T H . 17953 1 584 . 1 1 74 74 THR HA H 1 4.384 0.000 . 1 . . . . 69 T HA . 17953 1 585 . 1 1 74 74 THR HB H 1 3.803 0.000 . 1 . . . . 69 T HB . 17953 1 586 . 1 1 74 74 THR HG21 H 1 0.961 0.000 . . . . . . 69 T QG2 . 17953 1 587 . 1 1 74 74 THR HG22 H 1 0.961 0.000 . . . . . . 69 T QG2 . 17953 1 588 . 1 1 74 74 THR HG23 H 1 0.961 0.000 . . . . . . 69 T QG2 . 17953 1 589 . 1 1 74 74 THR C C 13 173.429 0.000 . 1 . . . . 69 T C . 17953 1 590 . 1 1 74 74 THR CA C 13 61.309 0.000 . 1 . . . . 69 T CA . 17953 1 591 . 1 1 74 74 THR CB C 13 66.242 0.000 . 1 . . . . 69 T CB . 17953 1 592 . 1 1 74 74 THR CG2 C 13 23.105 0.000 . 1 . . . . 69 T CG2 . 17953 1 593 . 1 1 74 74 THR N N 15 122.260 0.000 . 1 . . . . 69 T N . 17953 1 594 . 1 1 75 75 ASN H H 1 8.244 0.000 . 1 . . . . 70 N H . 17953 1 595 . 1 1 75 75 ASN HA H 1 5.125 0.000 . 1 . . . . 70 N HA . 17953 1 596 . 1 1 75 75 ASN HB2 H 1 2.865 0.000 . 2 . . . . 70 N HB2 . 17953 1 597 . 1 1 75 75 ASN HB3 H 1 2.528 0.000 . 2 . . . . 70 N HB3 . 17953 1 598 . 1 1 75 75 ASN HD21 H 1 7.829 0.000 . 2 . . . . 70 N HD21 . 17953 1 599 . 1 1 75 75 ASN HD22 H 1 6.668 0.000 . 2 . . . . 70 N HD22 . 17953 1 600 . 1 1 75 75 ASN C C 13 175.798 0.000 . 1 . . . . 70 N C . 17953 1 601 . 1 1 75 75 ASN CA C 13 52.079 0.000 . 1 . . . . 70 N CA . 17953 1 602 . 1 1 75 75 ASN CB C 13 42.295 0.000 . 1 . . . . 70 N CB . 17953 1 603 . 1 1 75 75 ASN N N 15 121.070 0.000 . 1 . . . . 70 N N . 17953 1 604 . 1 1 75 75 ASN ND2 N 15 116.529 0.000 . 1 . . . . 70 N ND2 . 17953 1 605 . 1 1 76 76 ASP H H 1 9.239 0.000 . 1 . . . . 71 D H . 17953 1 606 . 1 1 76 76 ASP HA H 1 4.239 0.000 . 1 . . . . 71 D HA . 17953 1 607 . 1 1 76 76 ASP HB2 H 1 2.790 0.000 . 2 . . . . 71 D HB2 . 17953 1 608 . 1 1 76 76 ASP HB3 H 1 2.927 0.000 . 2 . . . . 71 D HB3 . 17953 1 609 . 1 1 76 76 ASP C C 13 176.850 0.000 . 1 . . . . 71 D C . 17953 1 610 . 1 1 76 76 ASP CA C 13 57.056 0.000 . 1 . . . . 71 D CA . 17953 1 611 . 1 1 76 76 ASP CB C 13 40.719 0.000 . 1 . . . . 71 D CB . 17953 1 612 . 1 1 76 76 ASP N N 15 120.406 0.000 . 1 . . . . 71 D N . 17953 1 613 . 1 1 77 77 LYS H H 1 7.673 0.000 . 1 . . . . 72 K H . 17953 1 614 . 1 1 77 77 LYS HA H 1 4.512 0.000 . 1 . . . . 72 K HA . 17953 1 615 . 1 1 77 77 LYS HB2 H 1 2.005 0.000 . 2 . . . . 72 K HB2 . 17953 1 616 . 1 1 77 77 LYS HB3 H 1 1.550 0.000 . 2 . . . . 72 K HB3 . 17953 1 617 . 1 1 77 77 LYS HE2 H 1 3.006 0.000 . 2 . . . . 72 K QE . 17953 1 618 . 1 1 77 77 LYS HE3 H 1 3.006 0.000 . 2 . . . . 72 K QE . 17953 1 619 . 1 1 77 77 LYS C C 13 176.777 0.000 . 1 . . . . 72 K C . 17953 1 620 . 1 1 77 77 LYS CA C 13 54.631 0.000 . 1 . . . . 72 K CA . 17953 1 621 . 1 1 77 77 LYS CB C 13 34.177 0.000 . 1 . . . . 72 K CB . 17953 1 622 . 1 1 77 77 LYS CG C 13 24.759 0.000 . 1 . . . . 72 K CG . 17953 1 623 . 1 1 77 77 LYS CE C 13 42.507 0.000 . 1 . . . . 72 K CE . 17953 1 624 . 1 1 77 77 LYS N N 15 117.842 0.000 . 1 . . . . 72 K N . 17953 1 625 . 1 1 78 78 GLY H H 1 7.932 0.000 . 1 . . . . 73 G H . 17953 1 626 . 1 1 78 78 GLY HA2 H 1 3.858 0.000 . 2 . . . . 73 G HA2 . 17953 1 627 . 1 1 78 78 GLY HA3 H 1 4.259 0.000 . 2 . . . . 73 G HA3 . 17953 1 628 . 1 1 78 78 GLY C C 13 174.966 0.000 . 1 . . . . 73 G C . 17953 1 629 . 1 1 78 78 GLY CA C 13 46.421 0.000 . 1 . . . . 73 G CA . 17953 1 630 . 1 1 78 78 GLY N N 15 112.411 0.000 . 1 . . . . 73 G N . 17953 1 631 . 1 1 79 79 VAL H H 1 7.640 0.000 . 1 . . . . 74 V H . 17953 1 632 . 1 1 79 79 VAL HA H 1 4.376 0.000 . 1 . . . . 74 V HA . 17953 1 633 . 1 1 79 79 VAL HB H 1 1.789 0.000 . 1 . . . . 74 V HB . 17953 1 634 . 1 1 79 79 VAL HG11 H 1 0.842 0.000 . . . . . . 74 V QG1 . 17953 1 635 . 1 1 79 79 VAL HG12 H 1 0.842 0.000 . . . . . . 74 V QG1 . 17953 1 636 . 1 1 79 79 VAL HG13 H 1 0.842 0.000 . . . . . . 74 V QG1 . 17953 1 637 . 1 1 79 79 VAL HG21 H 1 0.717 0.000 . . . . . . 74 V QG2 . 17953 1 638 . 1 1 79 79 VAL HG22 H 1 0.717 0.000 . . . . . . 74 V QG2 . 17953 1 639 . 1 1 79 79 VAL HG23 H 1 0.717 0.000 . . . . . . 74 V QG2 . 17953 1 640 . 1 1 79 79 VAL C C 13 174.672 0.000 . 1 . . . . 74 V C . 17953 1 641 . 1 1 79 79 VAL CA C 13 59.821 0.000 . 1 . . . . 74 V CA . 17953 1 642 . 1 1 79 79 VAL CB C 13 34.689 0.000 . 1 . . . . 74 V CB . 17953 1 643 . 1 1 79 79 VAL CG1 C 13 21.147 0.000 . 2 . . . . 74 V CG1 . 17953 1 644 . 1 1 79 79 VAL CG2 C 13 21.152 0.000 . 2 . . . . 74 V CG2 . 17953 1 645 . 1 1 79 79 VAL N N 15 115.527 0.000 . 1 . . . . 74 V N . 17953 1 646 . 1 1 80 80 GLY H H 1 8.501 0.000 . 1 . . . . 75 G H . 17953 1 647 . 1 1 80 80 GLY HA2 H 1 3.396 0.000 . 2 . . . . 75 G HA2 . 17953 1 648 . 1 1 80 80 GLY HA3 H 1 4.200 0.000 . 2 . . . . 75 G HA3 . 17953 1 649 . 1 1 80 80 GLY C C 13 174.248 0.000 . 1 . . . . 75 G C . 17953 1 650 . 1 1 80 80 GLY CA C 13 44.757 0.000 . 1 . . . . 75 G CA . 17953 1 651 . 1 1 80 80 GLY N N 15 113.880 0.000 . 1 . . . . 75 G N . 17953 1 652 . 1 1 81 81 MET H H 1 8.801 0.000 . 1 . . . . 76 M H . 17953 1 653 . 1 1 81 81 MET HA H 1 4.346 0.000 . 1 . . . . 76 M HA . 17953 1 654 . 1 1 81 81 MET HB2 H 1 1.593 0.000 . 2 . . . . 76 M HB2 . 17953 1 655 . 1 1 81 81 MET HB3 H 1 1.757 0.000 . 2 . . . . 76 M HB3 . 17953 1 656 . 1 1 81 81 MET C C 13 175.653 0.000 . 1 . . . . 76 M C . 17953 1 657 . 1 1 81 81 MET CA C 13 55.640 0.000 . 1 . . . . 76 M CA . 17953 1 658 . 1 1 81 81 MET CB C 13 35.738 0.000 . 1 . . . . 76 M CB . 17953 1 659 . 1 1 81 81 MET CE C 13 16.954 0.000 . 1 . . . . 76 M CE . 17953 1 660 . 1 1 81 81 MET N N 15 122.896 0.000 . 1 . . . . 76 M N . 17953 1 661 . 1 1 82 82 GLY H H 1 7.866 0.000 . 1 . . . . 77 G H . 17953 1 662 . 1 1 82 82 GLY HA2 H 1 3.844 0.000 . 2 . . . . 77 G HA2 . 17953 1 663 . 1 1 82 82 GLY HA3 H 1 4.237 0.000 . 2 . . . . 77 G HA3 . 17953 1 664 . 1 1 82 82 GLY C C 13 170.828 0.000 . 1 . . . . 77 G C . 17953 1 665 . 1 1 82 82 GLY CA C 13 44.729 0.000 . 1 . . . . 77 G CA . 17953 1 666 . 1 1 82 82 GLY N N 15 106.352 0.000 . 1 . . . . 77 G N . 17953 1 667 . 1 1 83 83 MET H H 1 8.019 0.000 . 1 . . . . 78 M H . 17953 1 668 . 1 1 83 83 MET HA H 1 4.917 0.000 . 1 . . . . 78 M HA . 17953 1 669 . 1 1 83 83 MET HB2 H 1 2.079 0.000 . 2 . . . . 78 M HB2 . 17953 1 670 . 1 1 83 83 MET HB3 H 1 2.345 0.000 . 2 . . . . 78 M HB3 . 17953 1 671 . 1 1 83 83 MET C C 13 174.196 0.000 . 1 . . . . 78 M C . 17953 1 672 . 1 1 83 83 MET CA C 13 53.865 0.000 . 1 . . . . 78 M CA . 17953 1 673 . 1 1 83 83 MET CB C 13 35.396 0.000 . 1 . . . . 78 M CB . 17953 1 674 . 1 1 83 83 MET CE C 13 16.784 0.000 . 1 . . . . 78 M CE . 17953 1 675 . 1 1 83 83 MET N N 15 112.588 0.000 . 1 . . . . 78 M N . 17953 1 676 . 1 1 84 84 THR H H 1 8.611 0.000 . 1 . . . . 79 T H . 17953 1 677 . 1 1 84 84 THR HA H 1 4.920 0.000 . 1 . . . . 79 T HA . 17953 1 678 . 1 1 84 84 THR HB H 1 3.872 0.000 . 1 . . . . 79 T HB . 17953 1 679 . 1 1 84 84 THR HG21 H 1 1.137 0.000 . . . . . . 79 T QG2 . 17953 1 680 . 1 1 84 84 THR HG22 H 1 1.137 0.000 . . . . . . 79 T QG2 . 17953 1 681 . 1 1 84 84 THR HG23 H 1 1.137 0.000 . . . . . . 79 T QG2 . 17953 1 682 . 1 1 84 84 THR CA C 13 61.180 0.000 . 1 . . . . 79 T CA . 17953 1 683 . 1 1 84 84 THR CB C 13 69.390 0.000 . 1 . . . . 79 T CB . 17953 1 684 . 1 1 84 84 THR CG2 C 13 22.143 0.000 . 1 . . . . 79 T CG2 . 17953 1 685 . 1 1 84 84 THR N N 15 117.505 0.000 . 1 . . . . 79 T N . 17953 1 686 . 1 1 85 85 VAL H H 1 6.651 0.000 . 1 . . . . 80 V H . 17953 1 687 . 1 1 85 85 VAL HA H 1 5.146 0.000 . 1 . . . . 80 V HA . 17953 1 688 . 1 1 85 85 VAL N N 15 120.613 0.000 . 1 . . . . 80 V N . 17953 1 689 . 1 1 86 86 PRO HA H 1 4.442 0.000 . 1 . . . . 81 P HA . 17953 1 690 . 1 1 86 86 PRO HB2 H 1 2.291 0.000 . 2 . . . . 81 P HB2 . 17953 1 691 . 1 1 86 86 PRO HB3 H 1 1.896 0.000 . 2 . . . . 81 P HB3 . 17953 1 692 . 1 1 86 86 PRO HG2 H 1 2.005 0.000 . 2 . . . . 81 P QG . 17953 1 693 . 1 1 86 86 PRO HG3 H 1 2.005 0.000 . 2 . . . . 81 P QG . 17953 1 694 . 1 1 86 86 PRO HD2 H 1 3.798 0.000 . 2 . . . . 81 P HD2 . 17953 1 695 . 1 1 86 86 PRO HD3 H 1 3.621 0.000 . 2 . . . . 81 P HD3 . 17953 1 696 . 1 1 86 86 PRO C C 13 176.118 0.000 . 1 . . . . 81 P C . 17953 1 697 . 1 1 86 86 PRO CA C 13 62.869 0.000 . 1 . . . . 81 P CA . 17953 1 698 . 1 1 86 86 PRO CB C 13 33.769 0.000 . 1 . . . . 81 P CB . 17953 1 699 . 1 1 86 86 PRO CD C 13 49.638 0.000 . 1 . . . . 81 P CD . 17953 1 700 . 1 1 87 87 VAL H H 1 8.381 0.000 . 1 . . . . 82 V H . 17953 1 701 . 1 1 87 87 VAL HA H 1 4.602 0.000 . 1 . . . . 82 V HA . 17953 1 702 . 1 1 87 87 VAL HB H 1 2.174 0.000 . 1 . . . . 82 V HB . 17953 1 703 . 1 1 87 87 VAL HG11 H 1 1.311 0.000 . . . . . . 82 V QG1 . 17953 1 704 . 1 1 87 87 VAL HG12 H 1 1.311 0.000 . . . . . . 82 V QG1 . 17953 1 705 . 1 1 87 87 VAL HG13 H 1 1.311 0.000 . . . . . . 82 V QG1 . 17953 1 706 . 1 1 87 87 VAL HG21 H 1 1.015 0.000 . . . . . . 82 V QG2 . 17953 1 707 . 1 1 87 87 VAL HG22 H 1 1.015 0.000 . . . . . . 82 V QG2 . 17953 1 708 . 1 1 87 87 VAL HG23 H 1 1.015 0.000 . . . . . . 82 V QG2 . 17953 1 709 . 1 1 87 87 VAL C C 13 175.367 0.000 . 1 . . . . 82 V C . 17953 1 710 . 1 1 87 87 VAL CA C 13 63.546 0.000 . 1 . . . . 82 V CA . 17953 1 711 . 1 1 87 87 VAL CB C 13 32.803 0.000 . 1 . . . . 82 V CB . 17953 1 712 . 1 1 87 87 VAL CG1 C 13 22.056 0.000 . 2 . . . . 82 V CG1 . 17953 1 713 . 1 1 87 87 VAL CG2 C 13 22.397 0.000 . 2 . . . . 82 V CG2 . 17953 1 714 . 1 1 87 87 VAL N N 15 118.971 0.000 . 1 . . . . 82 V N . 17953 1 715 . 1 1 88 88 SER H H 1 7.562 0.000 . 1 . . . . 83 S H . 17953 1 716 . 1 1 88 88 SER HA H 1 6.164 0.000 . 1 . . . . 83 S HA . 17953 1 717 . 1 1 88 88 SER HB2 H 1 3.693 0.000 . 2 . . . . 83 S HB2 . 17953 1 718 . 1 1 88 88 SER HB3 H 1 3.507 0.000 . 2 . . . . 83 S HB3 . 17953 1 719 . 1 1 88 88 SER C C 13 173.175 0.000 . 1 . . . . 83 S C . 17953 1 720 . 1 1 88 88 SER CA C 13 55.992 0.000 . 1 . . . . 83 S CA . 17953 1 721 . 1 1 88 88 SER CB C 13 70.363 0.000 . 1 . . . . 83 S CB . 17953 1 722 . 1 1 88 88 SER N N 15 120.042 0.000 . 1 . . . . 83 S N . 17953 1 723 . 1 1 89 89 PHE H H 1 9.254 0.000 . 1 . . . . 84 F H . 17953 1 724 . 1 1 89 89 PHE HA H 1 5.692 0.000 . 1 . . . . 84 F HA . 17953 1 725 . 1 1 89 89 PHE HB2 H 1 3.219 0.000 . 2 . . . . 84 F HB2 . 17953 1 726 . 1 1 89 89 PHE HB3 H 1 2.675 0.000 . 2 . . . . 84 F HB3 . 17953 1 727 . 1 1 89 89 PHE HD1 H 1 6.712 0.000 . 3 . . . . 84 F QD . 17953 1 728 . 1 1 89 89 PHE HD2 H 1 6.712 0.000 . 3 . . . . 84 F QD . 17953 1 729 . 1 1 89 89 PHE HZ H 1 6.837 0.000 . 1 . . . . 84 F HZ . 17953 1 730 . 1 1 89 89 PHE C C 13 172.677 0.000 . 1 . . . . 84 F C . 17953 1 731 . 1 1 89 89 PHE CA C 13 55.675 0.000 . 1 . . . . 84 F CA . 17953 1 732 . 1 1 89 89 PHE CB C 13 40.518 0.000 . 1 . . . . 84 F CB . 17953 1 733 . 1 1 89 89 PHE CD1 C 13 133.665 0.000 . 3 . . . . 84 F CD1 . 17953 1 734 . 1 1 89 89 PHE CZ C 13 130.952 0.000 . 1 . . . . 84 F CZ . 17953 1 735 . 1 1 89 89 PHE N N 15 115.275 0.000 . 1 . . . . 84 F N . 17953 1 736 . 1 1 90 90 ALA H H 1 10.021 0.000 . 1 . . . . 85 A H . 17953 1 737 . 1 1 90 90 ALA HA H 1 4.282 0.000 . 1 . . . . 85 A HA . 17953 1 738 . 1 1 90 90 ALA HB1 H 1 1.203 0.000 . . . . . . 85 A QB . 17953 1 739 . 1 1 90 90 ALA HB2 H 1 1.203 0.000 . . . . . . 85 A QB . 17953 1 740 . 1 1 90 90 ALA HB3 H 1 1.203 0.000 . . . . . . 85 A QB . 17953 1 741 . 1 1 90 90 ALA C C 13 175.514 0.000 . 1 . . . . 85 A C . 17953 1 742 . 1 1 90 90 ALA CA C 13 51.270 0.000 . 1 . . . . 85 A CA . 17953 1 743 . 1 1 90 90 ALA CB C 13 21.635 0.000 . 1 . . . . 85 A CB . 17953 1 744 . 1 1 90 90 ALA N N 15 127.893 0.000 . 1 . . . . 85 A N . 17953 1 745 . 1 1 91 91 VAL H H 1 7.947 0.000 . 1 . . . . 86 V H . 17953 1 746 . 1 1 91 91 VAL HA H 1 4.472 0.000 . 1 . . . . 86 V HA . 17953 1 747 . 1 1 91 91 VAL HB H 1 2.165 0.000 . 1 . . . . 86 V HB . 17953 1 748 . 1 1 91 91 VAL HG11 H 1 0.957 0.000 . . . . . . 86 V QG1 . 17953 1 749 . 1 1 91 91 VAL HG12 H 1 0.957 0.000 . . . . . . 86 V QG1 . 17953 1 750 . 1 1 91 91 VAL HG13 H 1 0.957 0.000 . . . . . . 86 V QG1 . 17953 1 751 . 1 1 91 91 VAL HG21 H 1 -0.321 0.000 . . . . . . 86 V QG2 . 17953 1 752 . 1 1 91 91 VAL HG22 H 1 -0.321 0.000 . . . . . . 86 V QG2 . 17953 1 753 . 1 1 91 91 VAL HG23 H 1 -0.321 0.000 . . . . . . 86 V QG2 . 17953 1 754 . 1 1 91 91 VAL C C 13 173.574 0.000 . 1 . . . . 86 V C . 17953 1 755 . 1 1 91 91 VAL CA C 13 59.140 0.000 . 1 . . . . 86 V CA . 17953 1 756 . 1 1 91 91 VAL CB C 13 34.190 0.000 . 1 . . . . 86 V CB . 17953 1 757 . 1 1 91 91 VAL CG1 C 13 18.121 0.000 . 2 . . . . 86 V CG1 . 17953 1 758 . 1 1 91 91 VAL CG2 C 13 23.132 0.000 . 2 . . . . 86 V CG2 . 17953 1 759 . 1 1 91 91 VAL N N 15 112.044 0.000 . 1 . . . . 86 V N . 17953 1 760 . 1 1 92 92 PHE H H 1 9.130 0.000 . 1 . . . . 87 F H . 17953 1 761 . 1 1 92 92 PHE HA H 1 5.064 0.000 . 1 . . . . 87 F HA . 17953 1 762 . 1 1 92 92 PHE HB2 H 1 2.749 0.000 . 2 . . . . 87 F HB2 . 17953 1 763 . 1 1 92 92 PHE HB3 H 1 3.006 0.000 . 2 . . . . 87 F HB3 . 17953 1 764 . 1 1 92 92 PHE HD1 H 1 7.268 0.000 . 3 . . . . 87 F QD . 17953 1 765 . 1 1 92 92 PHE HD2 H 1 7.268 0.000 . 3 . . . . 87 F QD . 17953 1 766 . 1 1 92 92 PHE HE1 H 1 7.076 0.000 . 3 . . . . 87 F QE . 17953 1 767 . 1 1 92 92 PHE HE2 H 1 7.076 0.000 . 3 . . . . 87 F QE . 17953 1 768 . 1 1 92 92 PHE CA C 13 55.226 0.000 . 1 . . . . 87 F CA . 17953 1 769 . 1 1 92 92 PHE CB C 13 40.927 0.000 . 1 . . . . 87 F CB . 17953 1 770 . 1 1 92 92 PHE CD1 C 13 132.637 0.000 . 3 . . . . 87 F CD1 . 17953 1 771 . 1 1 92 92 PHE CE1 C 13 130.671 0.000 . 3 . . . . 87 F CE1 . 17953 1 772 . 1 1 92 92 PHE N N 15 117.119 0.000 . 1 . . . . 87 F N . 17953 1 773 . 1 1 93 93 PRO HA H 1 4.995 0.000 . 1 . . . . 88 P HA . 17953 1 774 . 1 1 93 93 PRO HB2 H 1 2.276 0.000 . 2 . . . . 88 P QB . 17953 1 775 . 1 1 93 93 PRO HB3 H 1 2.276 0.000 . 2 . . . . 88 P QB . 17953 1 776 . 1 1 93 93 PRO HG2 H 1 2.220 0.000 . 2 . . . . 88 P HG2 . 17953 1 777 . 1 1 93 93 PRO HG3 H 1 1.895 0.000 . 2 . . . . 88 P HG3 . 17953 1 778 . 1 1 93 93 PRO HD2 H 1 3.170 0.000 . 2 . . . . 88 P HD2 . 17953 1 779 . 1 1 93 93 PRO HD3 H 1 3.755 0.000 . 2 . . . . 88 P HD3 . 17953 1 780 . 1 1 93 93 PRO C C 13 178.637 0.000 . 1 . . . . 88 P C . 17953 1 781 . 1 1 93 93 PRO CA C 13 62.575 0.000 . 1 . . . . 88 P CA . 17953 1 782 . 1 1 93 93 PRO CB C 13 33.335 0.000 . 1 . . . . 88 P CB . 17953 1 783 . 1 1 93 93 PRO CG C 13 27.384 0.000 . 1 . . . . 88 P CG . 17953 1 784 . 1 1 93 93 PRO CD C 13 50.579 0.000 . 1 . . . . 88 P CD . 17953 1 785 . 1 1 94 94 ASN H H 1 9.411 0.000 . 1 . . . . 89 N H . 17953 1 786 . 1 1 94 94 ASN HA H 1 5.032 0.000 . 1 . . . . 89 N HA . 17953 1 787 . 1 1 94 94 ASN HB2 H 1 2.771 0.000 . 2 . . . . 89 N HB2 . 17953 1 788 . 1 1 94 94 ASN HB3 H 1 2.992 0.000 . 2 . . . . 89 N HB3 . 17953 1 789 . 1 1 94 94 ASN HD21 H 1 7.392 0.000 . 2 . . . . 89 N HD21 . 17953 1 790 . 1 1 94 94 ASN HD22 H 1 6.749 0.000 . 2 . . . . 89 N HD22 . 17953 1 791 . 1 1 94 94 ASN CA C 13 52.462 0.000 . 1 . . . . 89 N CA . 17953 1 792 . 1 1 94 94 ASN CB C 13 40.496 0.000 . 1 . . . . 89 N CB . 17953 1 793 . 1 1 94 94 ASN N N 15 119.759 0.000 . 1 . . . . 89 N N . 17953 1 794 . 1 1 94 94 ASN ND2 N 15 114.415 0.000 . 1 . . . . 89 N ND2 . 17953 1 795 . 1 1 95 95 GLU H H 1 8.104 0.000 . 1 . . . . 90 E H . 17953 1 796 . 1 1 95 95 GLU HA H 1 4.092 0.000 . 1 . . . . 90 E HA . 17953 1 797 . 1 1 95 95 GLU HG2 H 1 2.099 0.000 . 2 . . . . 90 E HG2 . 17953 1 798 . 1 1 95 95 GLU HG3 H 1 2.352 0.000 . 2 . . . . 90 E HG3 . 17953 1 799 . 1 1 95 95 GLU C C 13 176.905 0.000 . 1 . . . . 90 E C . 17953 1 800 . 1 1 95 95 GLU CA C 13 60.508 0.000 . 1 . . . . 90 E CA . 17953 1 801 . 1 1 95 95 GLU CB C 13 29.492 0.000 . 1 . . . . 90 E CB . 17953 1 802 . 1 1 95 95 GLU CG C 13 34.428 0.000 . 1 . . . . 90 E CG . 17953 1 803 . 1 1 96 96 ASP H H 1 7.837 0.000 . 1 . . . . 91 D H . 17953 1 804 . 1 1 96 96 ASP HA H 1 4.602 0.000 . 1 . . . . 91 D HA . 17953 1 805 . 1 1 96 96 ASP HB2 H 1 3.122 0.000 . 2 . . . . 91 D HB2 . 17953 1 806 . 1 1 96 96 ASP HB3 H 1 2.667 0.000 . 2 . . . . 91 D HB3 . 17953 1 807 . 1 1 96 96 ASP C C 13 177.106 0.000 . 1 . . . . 91 D C . 17953 1 808 . 1 1 96 96 ASP CA C 13 53.824 0.000 . 1 . . . . 91 D CA . 17953 1 809 . 1 1 96 96 ASP CB C 13 40.332 0.000 . 1 . . . . 91 D CB . 17953 1 810 . 1 1 96 96 ASP N N 15 115.193 0.000 . 1 . . . . 91 D N . 17953 1 811 . 1 1 97 97 GLY H H 1 8.019 0.000 . 1 . . . . 92 G H . 17953 1 812 . 1 1 97 97 GLY HA2 H 1 3.634 0.000 . 2 . . . . 92 G HA2 . 17953 1 813 . 1 1 97 97 GLY HA3 H 1 4.448 0.000 . 2 . . . . 92 G HA3 . 17953 1 814 . 1 1 97 97 GLY C C 13 173.971 0.000 . 1 . . . . 92 G C . 17953 1 815 . 1 1 97 97 GLY CA C 13 45.188 0.000 . 1 . . . . 92 G CA . 17953 1 816 . 1 1 97 97 GLY N N 15 109.623 0.000 . 1 . . . . 92 G N . 17953 1 817 . 1 1 98 98 SER H H 1 8.162 0.000 . 1 . . . . 93 S H . 17953 1 818 . 1 1 98 98 SER HA H 1 4.360 0.000 . 1 . . . . 93 S HA . 17953 1 819 . 1 1 98 98 SER HB2 H 1 3.993 0.000 . 2 . . . . 93 S HB2 . 17953 1 820 . 1 1 98 98 SER HB3 H 1 4.120 0.000 . 2 . . . . 93 S HB3 . 17953 1 821 . 1 1 98 98 SER CA C 13 58.756 0.000 . 1 . . . . 93 S CA . 17953 1 822 . 1 1 98 98 SER CB C 13 64.594 0.000 . 1 . . . . 93 S CB . 17953 1 823 . 1 1 98 98 SER N N 15 115.334 0.000 . 1 . . . . 93 S N . 17953 1 824 . 1 1 99 99 LEU H H 1 8.746 0.000 . 1 . . . . 94 L H . 17953 1 825 . 1 1 99 99 LEU HA H 1 4.751 0.000 . 1 . . . . 94 L HA . 17953 1 826 . 1 1 99 99 LEU HG H 1 1.585 0.000 . 1 . . . . 94 L HG . 17953 1 827 . 1 1 99 99 LEU HD11 H 1 0.988 0.000 . . . . . . 94 L QD1 . 17953 1 828 . 1 1 99 99 LEU HD12 H 1 0.988 0.000 . . . . . . 94 L QD1 . 17953 1 829 . 1 1 99 99 LEU HD13 H 1 0.988 0.000 . . . . . . 94 L QD1 . 17953 1 830 . 1 1 99 99 LEU HD21 H 1 0.779 0.000 . . . . . . 94 L QD2 . 17953 1 831 . 1 1 99 99 LEU HD22 H 1 0.779 0.000 . . . . . . 94 L QD2 . 17953 1 832 . 1 1 99 99 LEU HD23 H 1 0.779 0.000 . . . . . . 94 L QD2 . 17953 1 833 . 1 1 99 99 LEU C C 13 178.728 0.000 . 1 . . . . 94 L C . 17953 1 834 . 1 1 99 99 LEU CA C 13 54.594 0.000 . 1 . . . . 94 L CA . 17953 1 835 . 1 1 99 99 LEU CB C 13 42.531 0.000 . 1 . . . . 94 L CB . 17953 1 836 . 1 1 99 99 LEU CD1 C 13 62.899 0.000 . 2 . . . . 94 L CD1 . 17953 1 837 . 1 1 99 99 LEU CD2 C 13 25.280 0.000 . 2 . . . . 94 L CD2 . 17953 1 838 . 1 1 99 99 LEU N N 15 118.912 0.000 . 1 . . . . 94 L N . 17953 1 839 . 1 1 100 100 GLN H H 1 8.542 0.000 . 1 . . . . 95 Q H . 17953 1 840 . 1 1 100 100 GLN HA H 1 4.309 0.000 . 1 . . . . 95 Q HA . 17953 1 841 . 1 1 100 100 GLN HB2 H 1 1.407 0.000 . 2 . . . . 95 Q QB . 17953 1 842 . 1 1 100 100 GLN HB3 H 1 1.407 0.000 . 2 . . . . 95 Q QB . 17953 1 843 . 1 1 100 100 GLN HG2 H 1 1.788 0.000 . 2 . . . . 95 Q HG2 . 17953 1 844 . 1 1 100 100 GLN HG3 H 1 1.737 0.000 . 2 . . . . 95 Q HG3 . 17953 1 845 . 1 1 100 100 GLN HE21 H 1 6.749 0.000 . 2 . . . . 95 Q HE21 . 17953 1 846 . 1 1 100 100 GLN HE22 H 1 7.407 0.000 . 2 . . . . 95 Q HE22 . 17953 1 847 . 1 1 100 100 GLN CA C 13 56.428 0.000 . 1 . . . . 95 Q CA . 17953 1 848 . 1 1 100 100 GLN CB C 13 30.443 0.000 . 1 . . . . 95 Q CB . 17953 1 849 . 1 1 100 100 GLN N N 15 120.198 0.000 . 1 . . . . 95 Q N . 17953 1 850 . 1 1 100 100 GLN NE2 N 15 114.315 0.000 . 1 . . . . 95 Q NE2 . 17953 1 851 . 1 1 101 101 LYS H H 1 8.129 0.000 . 1 . . . . 96 K H . 17953 1 852 . 1 1 101 101 LYS HA H 1 4.444 0.000 . 1 . . . . 96 K HA . 17953 1 853 . 1 1 101 101 LYS HB2 H 1 2.112 0.000 . 2 . . . . 96 K HB2 . 17953 1 854 . 1 1 101 101 LYS HB3 H 1 2.173 0.000 . 2 . . . . 96 K HB3 . 17953 1 855 . 1 1 101 101 LYS HG2 H 1 1.743 0.000 . 2 . . . . 96 K QG . 17953 1 856 . 1 1 101 101 LYS HG3 H 1 1.743 0.000 . 2 . . . . 96 K QG . 17953 1 857 . 1 1 101 101 LYS HD2 H 1 2.002 0.000 . 2 . . . . 96 K HD2 . 17953 1 858 . 1 1 101 101 LYS HD3 H 1 1.925 0.000 . 2 . . . . 96 K HD3 . 17953 1 859 . 1 1 101 101 LYS C C 13 175.532 0.000 . 1 . . . . 96 K C . 17953 1 860 . 1 1 101 101 LYS CA C 13 55.141 0.000 . 1 . . . . 96 K CA . 17953 1 861 . 1 1 101 101 LYS CB C 13 31.168 0.000 . 1 . . . . 96 K CB . 17953 1 862 . 1 1 101 101 LYS N N 15 117.999 0.000 . 1 . . . . 96 K N . 17953 1 863 . 1 1 102 102 LYS H H 1 7.900 0.000 . 1 . . . . 97 K H . 17953 1 864 . 1 1 102 102 LYS HA H 1 4.759 0.000 . 1 . . . . 97 K HA . 17953 1 865 . 1 1 102 102 LYS HB2 H 1 1.629 0.000 . 2 . . . . 97 K HB2 . 17953 1 866 . 1 1 102 102 LYS HB3 H 1 1.752 0.000 . 2 . . . . 97 K HB3 . 17953 1 867 . 1 1 102 102 LYS HG2 H 1 1.176 0.000 . 2 . . . . 97 K HG2 . 17953 1 868 . 1 1 102 102 LYS HG3 H 1 1.251 0.000 . 2 . . . . 97 K HG3 . 17953 1 869 . 1 1 102 102 LYS HD2 H 1 1.016 0.000 . 2 . . . . 97 K QD . 17953 1 870 . 1 1 102 102 LYS HD3 H 1 1.016 0.000 . 2 . . . . 97 K QD . 17953 1 871 . 1 1 102 102 LYS HE2 H 1 2.107 0.000 . 2 . . . . 97 K HE2 . 17953 1 872 . 1 1 102 102 LYS HE3 H 1 2.174 0.000 . 2 . . . . 97 K HE3 . 17953 1 873 . 1 1 102 102 LYS C C 13 173.336 0.000 . 1 . . . . 97 K C . 17953 1 874 . 1 1 102 102 LYS CA C 13 56.545 0.000 . 1 . . . . 97 K CA . 17953 1 875 . 1 1 102 102 LYS CB C 13 35.697 0.000 . 1 . . . . 97 K CB . 17953 1 876 . 1 1 102 102 LYS CE C 13 41.532 0.000 . 1 . . . . 97 K CE . 17953 1 877 . 1 1 102 102 LYS N N 15 121.614 0.000 . 1 . . . . 97 K N . 17953 1 878 . 1 1 103 103 LEU H H 1 8.690 0.000 . 1 . . . . 98 L H . 17953 1 879 . 1 1 103 103 LEU HA H 1 5.331 0.000 . 1 . . . . 98 L HA . 17953 1 880 . 1 1 103 103 LEU HB2 H 1 1.694 0.000 . 2 . . . . 98 L HB2 . 17953 1 881 . 1 1 103 103 LEU HB3 H 1 1.817 0.000 . 2 . . . . 98 L HB3 . 17953 1 882 . 1 1 103 103 LEU HG H 1 1.658 0.000 . 1 . . . . 98 L HG . 17953 1 883 . 1 1 103 103 LEU HD11 H 1 0.599 0.000 . . . . . . 98 L QD1 . 17953 1 884 . 1 1 103 103 LEU HD12 H 1 0.599 0.000 . . . . . . 98 L QD1 . 17953 1 885 . 1 1 103 103 LEU HD13 H 1 0.599 0.000 . . . . . . 98 L QD1 . 17953 1 886 . 1 1 103 103 LEU HD21 H 1 0.822 0.000 . . . . . . 98 L QD2 . 17953 1 887 . 1 1 103 103 LEU HD22 H 1 0.822 0.000 . . . . . . 98 L QD2 . 17953 1 888 . 1 1 103 103 LEU HD23 H 1 0.822 0.000 . . . . . . 98 L QD2 . 17953 1 889 . 1 1 103 103 LEU C C 13 175.490 0.000 . 1 . . . . 98 L C . 17953 1 890 . 1 1 103 103 LEU CA C 13 55.417 0.000 . 1 . . . . 98 L CA . 17953 1 891 . 1 1 103 103 LEU CB C 13 46.815 0.000 . 1 . . . . 98 L CB . 17953 1 892 . 1 1 103 103 LEU CG C 13 27.070 0.000 . 1 . . . . 98 L CG . 17953 1 893 . 1 1 103 103 LEU CD1 C 13 27.073 0.000 . 2 . . . . 98 L CD1 . 17953 1 894 . 1 1 103 103 LEU CD2 C 13 27.671 0.000 . 2 . . . . 98 L CD2 . 17953 1 895 . 1 1 103 103 LEU N N 15 123.106 0.000 . 1 . . . . 98 L N . 17953 1 896 . 1 1 104 104 LYS H H 1 8.223 0.000 . 1 . . . . 99 K H . 17953 1 897 . 1 1 104 104 LYS HA H 1 5.406 0.000 . 1 . . . . 99 K HA . 17953 1 898 . 1 1 104 104 LYS HB2 H 1 2.203 0.000 . 2 . . . . 99 K QB . 17953 1 899 . 1 1 104 104 LYS HB3 H 1 2.203 0.000 . 2 . . . . 99 K QB . 17953 1 900 . 1 1 104 104 LYS C C 13 175.364 0.000 . 1 . . . . 99 K C . 17953 1 901 . 1 1 104 104 LYS CA C 13 55.907 0.000 . 1 . . . . 99 K CA . 17953 1 902 . 1 1 104 104 LYS CB C 13 36.663 0.000 . 1 . . . . 99 K CB . 17953 1 903 . 1 1 104 104 LYS N N 15 123.964 0.000 . 1 . . . . 99 K N . 17953 1 904 . 1 1 105 105 VAL H H 1 9.178 0.000 . 1 . . . . 100 V H . 17953 1 905 . 1 1 105 105 VAL HA H 1 4.166 0.000 . 1 . . . . 100 V HA . 17953 1 906 . 1 1 105 105 VAL HB H 1 1.623 0.000 . 1 . . . . 100 V HB . 17953 1 907 . 1 1 105 105 VAL HG11 H 1 1.031 0.000 . . . . . . 100 V QG1 . 17953 1 908 . 1 1 105 105 VAL HG12 H 1 1.031 0.000 . . . . . . 100 V QG1 . 17953 1 909 . 1 1 105 105 VAL HG13 H 1 1.031 0.000 . . . . . . 100 V QG1 . 17953 1 910 . 1 1 105 105 VAL HG21 H 1 0.865 0.000 . . . . . . 100 V QG2 . 17953 1 911 . 1 1 105 105 VAL HG22 H 1 0.865 0.000 . . . . . . 100 V QG2 . 17953 1 912 . 1 1 105 105 VAL HG23 H 1 0.865 0.000 . . . . . . 100 V QG2 . 17953 1 913 . 1 1 105 105 VAL C C 13 173.429 0.000 . 1 . . . . 100 V C . 17953 1 914 . 1 1 105 105 VAL CA C 13 63.877 0.000 . 1 . . . . 100 V CA . 17953 1 915 . 1 1 105 105 VAL CB C 13 33.806 0.000 . 1 . . . . 100 V CB . 17953 1 916 . 1 1 105 105 VAL CG1 C 13 21.816 0.000 . 2 . . . . 100 V CG1 . 17953 1 917 . 1 1 105 105 VAL CG2 C 13 23.706 0.000 . 2 . . . . 100 V CG2 . 17953 1 918 . 1 1 105 105 VAL N N 15 130.335 0.000 . 1 . . . . 100 V N . 17953 1 919 . 1 1 106 106 TRP H H 1 8.999 0.000 . 1 . . . . 101 W H . 17953 1 920 . 1 1 106 106 TRP HA H 1 4.567 0.000 . 1 . . . . 101 W HA . 17953 1 921 . 1 1 106 106 TRP HB2 H 1 3.115 0.000 . 2 . . . . 101 W HB2 . 17953 1 922 . 1 1 106 106 TRP HB3 H 1 2.806 0.000 . 2 . . . . 101 W HB3 . 17953 1 923 . 1 1 106 106 TRP HD1 H 1 7.265 0.000 . 1 . . . . 101 W HD1 . 17953 1 924 . 1 1 106 106 TRP HE1 H 1 10.435 0.000 . 1 . . . . 101 W HE1 . 17953 1 925 . 1 1 106 106 TRP HE3 H 1 6.533 0.000 . 1 . . . . 101 W HE3 . 17953 1 926 . 1 1 106 106 TRP HZ2 H 1 7.519 0.000 . 1 . . . . 101 W HZ2 . 17953 1 927 . 1 1 106 106 TRP HZ3 H 1 6.360 0.000 . 1 . . . . 101 W HZ3 . 17953 1 928 . 1 1 106 106 TRP HH2 H 1 7.065 0.000 . 1 . . . . 101 W HH2 . 17953 1 929 . 1 1 106 106 TRP C C 13 173.935 0.000 . 1 . . . . 101 W C . 17953 1 930 . 1 1 106 106 TRP CA C 13 57.524 0.000 . 1 . . . . 101 W CA . 17953 1 931 . 1 1 106 106 TRP CB C 13 30.534 0.000 . 1 . . . . 101 W CB . 17953 1 932 . 1 1 106 106 TRP CD1 C 13 126.131 0.000 . 1 . . . . 101 W CD1 . 17953 1 933 . 1 1 106 106 TRP CE3 C 13 120.477 0.000 . 1 . . . . 101 W CE3 . 17953 1 934 . 1 1 106 106 TRP CZ2 C 13 113.868 0.000 . 1 . . . . 101 W CZ2 . 17953 1 935 . 1 1 106 106 TRP CZ3 C 13 120.965 0.000 . 1 . . . . 101 W CZ3 . 17953 1 936 . 1 1 106 106 TRP CH2 C 13 124.408 0.000 . 1 . . . . 101 W CH2 . 17953 1 937 . 1 1 106 106 TRP N N 15 125.675 0.000 . 1 . . . . 101 W N . 17953 1 938 . 1 1 106 106 TRP NE1 N 15 127.964 0.000 . 1 . . . . 101 W NE1 . 17953 1 939 . 1 1 107 107 PHE H H 1 8.649 0.000 . 1 . . . . 102 F H . 17953 1 940 . 1 1 107 107 PHE HA H 1 5.199 0.000 . 1 . . . . 102 F HA . 17953 1 941 . 1 1 107 107 PHE HD1 H 1 6.847 0.000 . 3 . . . . 102 F QD . 17953 1 942 . 1 1 107 107 PHE HD2 H 1 6.847 0.000 . 3 . . . . 102 F QD . 17953 1 943 . 1 1 107 107 PHE HE1 H 1 6.440 0.000 . 3 . . . . 102 F QE . 17953 1 944 . 1 1 107 107 PHE HE2 H 1 6.440 0.000 . 3 . . . . 102 F QE . 17953 1 945 . 1 1 107 107 PHE C C 13 173.628 0.000 . 1 . . . . 102 F C . 17953 1 946 . 1 1 107 107 PHE CA C 13 55.184 0.000 . 1 . . . . 102 F CA . 17953 1 947 . 1 1 107 107 PHE CB C 13 41.130 0.000 . 1 . . . . 102 F CB . 17953 1 948 . 1 1 107 107 PHE CD1 C 13 132.273 0.000 . 3 . . . . 102 F CD1 . 17953 1 949 . 1 1 107 107 PHE CE1 C 13 117.585 0.000 . 3 . . . . 102 F CE1 . 17953 1 950 . 1 1 107 107 PHE N N 15 126.764 0.000 . 1 . . . . 102 F N . 17953 1 951 . 1 1 108 108 ARG H H 1 8.223 0.000 . 1 . . . . 103 R H . 17953 1 952 . 1 1 108 108 ARG HA H 1 2.826 0.000 . 1 . . . . 103 R HA . 17953 1 953 . 1 1 108 108 ARG HB2 H 1 0.501 0.000 . 2 . . . . 103 R HB2 . 17953 1 954 . 1 1 108 108 ARG HB3 H 1 0.832 0.000 . 2 . . . . 103 R HB3 . 17953 1 955 . 1 1 108 108 ARG HG2 H 1 -0.512 0.000 . 2 . . . . 103 R QG . 17953 1 956 . 1 1 108 108 ARG HG3 H 1 -0.512 0.000 . 2 . . . . 103 R QG . 17953 1 957 . 1 1 108 108 ARG HD2 H 1 2.171 0.000 . 2 . . . . 103 R HD2 . 17953 1 958 . 1 1 108 108 ARG HD3 H 1 1.085 0.000 . 2 . . . . 103 R HD3 . 17953 1 959 . 1 1 108 108 ARG HE H 1 6.294 0.000 . 1 . . . . 103 R HE . 17953 1 960 . 1 1 108 108 ARG C C 13 174.188 0.000 . 1 . . . . 103 R C . 17953 1 961 . 1 1 108 108 ARG CA C 13 56.652 0.000 . 1 . . . . 103 R CA . 17953 1 962 . 1 1 108 108 ARG CB C 13 28.598 0.000 . 1 . . . . 103 R CB . 17953 1 963 . 1 1 108 108 ARG CG C 13 28.631 0.000 . 1 . . . . 103 R CG . 17953 1 964 . 1 1 108 108 ARG CD C 13 41.814 0.000 . 1 . . . . 103 R CD . 17953 1 965 . 1 1 108 108 ARG N N 15 131.348 0.000 . 1 . . . . 103 R N . 17953 1 966 . 1 1 108 108 ARG NE N 15 115.280 0.000 . 1 . . . . 103 R NE . 17953 1 967 . 1 1 109 109 ILE H H 1 7.152 0.000 . 1 . . . . 104 I H . 17953 1 968 . 1 1 109 109 ILE HA H 1 3.703 0.000 . 1 . . . . 104 I HA . 17953 1 969 . 1 1 109 109 ILE HB H 1 1.527 0.000 . 1 . . . . 104 I HB . 17953 1 970 . 1 1 109 109 ILE HG12 H 1 1.270 0.000 . . . . . . 104 I QG1 . 17953 1 971 . 1 1 109 109 ILE HG13 H 1 1.270 0.000 . . . . . . 104 I QG1 . 17953 1 972 . 1 1 109 109 ILE HG21 H 1 0.894 0.000 . . . . . . 104 I QG2 . 17953 1 973 . 1 1 109 109 ILE HG22 H 1 0.894 0.000 . . . . . . 104 I QG2 . 17953 1 974 . 1 1 109 109 ILE HG23 H 1 0.894 0.000 . . . . . . 104 I QG2 . 17953 1 975 . 1 1 109 109 ILE HD11 H 1 0.464 0.000 . . . . . . 104 I QD1 . 17953 1 976 . 1 1 109 109 ILE HD12 H 1 0.464 0.000 . . . . . . 104 I QD1 . 17953 1 977 . 1 1 109 109 ILE HD13 H 1 0.464 0.000 . . . . . . 104 I QD1 . 17953 1 978 . 1 1 109 109 ILE CA C 13 58.578 0.000 . 1 . . . . 104 I CA . 17953 1 979 . 1 1 109 109 ILE CB C 13 36.973 0.000 . 1 . . . . 104 I CB . 17953 1 980 . 1 1 109 109 ILE CG1 C 13 28.902 0.000 . 1 . . . . 104 I CG1 . 17953 1 981 . 1 1 109 109 ILE CG2 C 13 17.037 0.000 . 1 . . . . 104 I CG2 . 17953 1 982 . 1 1 109 109 ILE CD1 C 13 11.911 0.000 . 1 . . . . 104 I CD1 . 17953 1 983 . 1 1 109 109 ILE N N 15 129.730 0.000 . 1 . . . . 104 I N . 17953 1 984 . 1 1 110 110 PRO HA H 1 3.953 0.000 . 1 . . . . 105 P HA . 17953 1 985 . 1 1 110 110 PRO HB2 H 1 2.354 0.000 . 2 . . . . 105 P HB2 . 17953 1 986 . 1 1 110 110 PRO HB3 H 1 1.823 0.000 . 2 . . . . 105 P HB3 . 17953 1 987 . 1 1 110 110 PRO HG2 H 1 2.164 0.000 . 2 . . . . 105 P QG . 17953 1 988 . 1 1 110 110 PRO HG3 H 1 2.164 0.000 . 2 . . . . 105 P QG . 17953 1 989 . 1 1 110 110 PRO HD2 H 1 3.468 0.000 . 2 . . . . 105 P HD2 . 17953 1 990 . 1 1 110 110 PRO HD3 H 1 3.845 0.000 . 2 . . . . 105 P HD3 . 17953 1 991 . 1 1 110 110 PRO CA C 13 63.809 0.000 . 1 . . . . 105 P CA . 17953 1 992 . 1 1 110 110 PRO CB C 13 33.526 0.000 . 1 . . . . 105 P CB . 17953 1 993 . 1 1 110 110 PRO CD C 13 51.642 0.000 . 1 . . . . 105 P CD . 17953 1 994 . 1 1 111 111 ASN H H 1 10.231 0.000 . 1 . . . . 106 N H . 17953 1 995 . 1 1 111 111 ASN HA H 1 4.272 0.000 . 1 . . . . 106 N HA . 17953 1 996 . 1 1 111 111 ASN HB2 H 1 2.695 0.000 . 2 . . . . 106 N HB2 . 17953 1 997 . 1 1 111 111 ASN HB3 H 1 2.907 0.000 . 2 . . . . 106 N HB3 . 17953 1 998 . 1 1 111 111 ASN C C 13 178.207 0.000 . 1 . . . . 106 N C . 17953 1 999 . 1 1 111 111 ASN CA C 13 57.353 0.000 . 1 . . . . 106 N CA . 17953 1 1000 . 1 1 111 111 ASN CB C 13 38.628 0.000 . 1 . . . . 106 N CB . 17953 1 1001 . 1 1 111 111 ASN N N 15 123.953 0.000 . 1 . . . . 106 N N . 17953 1 1002 . 1 1 112 112 GLN H H 1 9.667 0.000 . 1 . . . . 107 Q H . 17953 1 1003 . 1 1 112 112 GLN HA H 1 3.881 0.000 . 1 . . . . 107 Q HA . 17953 1 1004 . 1 1 112 112 GLN HB2 H 1 1.914 0.000 . 2 . . . . 107 Q HB2 . 17953 1 1005 . 1 1 112 112 GLN HB3 H 1 1.520 0.000 . 2 . . . . 107 Q HB3 . 17953 1 1006 . 1 1 112 112 GLN HG2 H 1 1.799 0.000 . 2 . . . . 107 Q HG2 . 17953 1 1007 . 1 1 112 112 GLN HG3 H 1 1.664 0.000 . 2 . . . . 107 Q HG3 . 17953 1 1008 . 1 1 112 112 GLN HE21 H 1 7.261 0.000 . 2 . . . . 107 Q HE21 . 17953 1 1009 . 1 1 112 112 GLN HE22 H 1 7.505 0.000 . 2 . . . . 107 Q HE22 . 17953 1 1010 . 1 1 112 112 GLN C C 13 179.649 0.000 . 1 . . . . 107 Q C . 17953 1 1011 . 1 1 112 112 GLN CA C 13 58.475 0.000 . 1 . . . . 107 Q CA . 17953 1 1012 . 1 1 112 112 GLN CB C 13 28.006 0.000 . 1 . . . . 107 Q CB . 17953 1 1013 . 1 1 112 112 GLN CG C 13 33.411 0.000 . 1 . . . . 107 Q CG . 17953 1 1014 . 1 1 112 112 GLN N N 15 119.196 0.000 . 1 . . . . 107 Q N . 17953 1 1015 . 1 1 112 112 GLN NE2 N 15 112.124 0.000 . 1 . . . . 107 Q NE2 . 17953 1 1016 . 1 1 113 113 PHE H H 1 8.161 0.000 . 1 . . . . 108 F H . 17953 1 1017 . 1 1 113 113 PHE HA H 1 4.575 0.000 . 1 . . . . 108 F HA . 17953 1 1018 . 1 1 113 113 PHE HB2 H 1 2.285 0.000 . 2 . . . . 108 F HB2 . 17953 1 1019 . 1 1 113 113 PHE HB3 H 1 3.311 0.000 . 2 . . . . 108 F HB3 . 17953 1 1020 . 1 1 113 113 PHE C C 13 177.637 0.000 . 1 . . . . 108 F C . 17953 1 1021 . 1 1 113 113 PHE CA C 13 57.722 0.000 . 1 . . . . 108 F CA . 17953 1 1022 . 1 1 113 113 PHE CB C 13 41.531 0.000 . 1 . . . . 108 F CB . 17953 1 1023 . 1 1 113 113 PHE N N 15 115.180 0.000 . 1 . . . . 108 F N . 17953 1 1024 . 1 1 114 114 GLN H H 1 7.285 0.000 . 1 . . . . 109 Q H . 17953 1 1025 . 1 1 114 114 GLN HA H 1 3.236 0.000 . 1 . . . . 109 Q HA . 17953 1 1026 . 1 1 114 114 GLN HB2 H 1 1.918 0.000 . 2 . . . . 109 Q HB2 . 17953 1 1027 . 1 1 114 114 GLN HB3 H 1 2.235 0.000 . 2 . . . . 109 Q HB3 . 17953 1 1028 . 1 1 114 114 GLN HG2 H 1 2.275 0.000 . 2 . . . . 109 Q HG2 . 17953 1 1029 . 1 1 114 114 GLN HG3 H 1 2.500 0.000 . 2 . . . . 109 Q HG3 . 17953 1 1030 . 1 1 114 114 GLN HE21 H 1 7.285 0.000 . 2 . . . . 109 Q HE21 . 17953 1 1031 . 1 1 114 114 GLN HE22 H 1 9.069 0.000 . 2 . . . . 109 Q HE22 . 17953 1 1032 . 1 1 114 114 GLN C C 13 179.815 0.000 . 1 . . . . 109 Q C . 17953 1 1033 . 1 1 114 114 GLN CA C 13 59.523 0.000 . 1 . . . . 109 Q CA . 17953 1 1034 . 1 1 114 114 GLN CB C 13 28.528 0.000 . 1 . . . . 109 Q CB . 17953 1 1035 . 1 1 114 114 GLN CG C 13 34.749 0.000 . 1 . . . . 109 Q CG . 17953 1 1036 . 1 1 114 114 GLN N N 15 119.116 0.000 . 1 . . . . 109 Q N . 17953 1 1037 . 1 1 114 114 GLN NE2 N 15 119.146 0.000 . 1 . . . . 109 Q NE2 . 17953 1 1038 . 1 1 115 115 GLY H H 1 8.133 0.000 . 1 . . . . 110 G H . 17953 1 1039 . 1 1 115 115 GLY HA2 H 1 3.835 0.000 . 2 . . . . 110 G HA2 . 17953 1 1040 . 1 1 115 115 GLY HA3 H 1 3.679 0.000 . 2 . . . . 110 G HA3 . 17953 1 1041 . 1 1 115 115 GLY C C 13 175.056 0.000 . 1 . . . . 110 G C . 17953 1 1042 . 1 1 115 115 GLY CA C 13 46.676 0.000 . 1 . . . . 110 G CA . 17953 1 1043 . 1 1 115 115 GLY N N 15 104.998 0.000 . 1 . . . . 110 G N . 17953 1 1044 . 1 1 116 116 SER H H 1 7.276 0.000 . 1 . . . . 111 S H . 17953 1 1045 . 1 1 116 116 SER HA H 1 4.720 0.000 . 1 . . . . 111 S HA . 17953 1 1046 . 1 1 116 116 SER HB2 H 1 3.691 0.000 . 2 . . . . 111 S HB2 . 17953 1 1047 . 1 1 116 116 SER HB3 H 1 3.866 0.000 . 2 . . . . 111 S HB3 . 17953 1 1048 . 1 1 116 116 SER CA C 13 58.693 0.000 . 1 . . . . 111 S CA . 17953 1 1049 . 1 1 116 116 SER CB C 13 63.047 0.000 . 1 . . . . 111 S CB . 17953 1 1050 . 1 1 116 116 SER N N 15 112.148 0.000 . 1 . . . . 111 S N . 17953 1 1051 . 1 1 117 117 PRO HA H 1 4.617 0.000 . 1 . . . . 112 P HA . 17953 1 1052 . 1 1 117 117 PRO HB2 H 1 2.285 0.000 . 2 . . . . 112 P HB2 . 17953 1 1053 . 1 1 117 117 PRO HB3 H 1 1.936 0.000 . 2 . . . . 112 P HB3 . 17953 1 1054 . 1 1 117 117 PRO HG2 H 1 2.019 0.000 . 2 . . . . 112 P QG . 17953 1 1055 . 1 1 117 117 PRO HG3 H 1 2.019 0.000 . 2 . . . . 112 P QG . 17953 1 1056 . 1 1 117 117 PRO HD2 H 1 3.598 0.000 . 2 . . . . 112 P QD . 17953 1 1057 . 1 1 117 117 PRO HD3 H 1 3.598 0.000 . 2 . . . . 112 P QD . 17953 1 1058 . 1 1 117 117 PRO CA C 13 61.928 0.000 . 1 . . . . 112 P CA . 17953 1 1059 . 1 1 117 117 PRO CB C 13 30.836 0.000 . 1 . . . . 112 P CB . 17953 1 1060 . 1 1 117 117 PRO CD C 13 49.617 0.000 . 1 . . . . 112 P CD . 17953 1 1061 . 1 1 118 118 PRO HA H 1 4.451 0.000 . 1 . . . . 113 P HA . 17953 1 1062 . 1 1 118 118 PRO HB2 H 1 2.073 0.000 . 2 . . . . 113 P HB2 . 17953 1 1063 . 1 1 118 118 PRO HB3 H 1 1.581 0.000 . 2 . . . . 113 P HB3 . 17953 1 1064 . 1 1 118 118 PRO HG2 H 1 1.458 0.000 . 2 . . . . 113 P HG2 . 17953 1 1065 . 1 1 118 118 PRO HG3 H 1 1.612 0.000 . 2 . . . . 113 P HG3 . 17953 1 1066 . 1 1 118 118 PRO HD2 H 1 3.885 0.000 . 2 . . . . 113 P HD2 . 17953 1 1067 . 1 1 118 118 PRO HD3 H 1 3.402 0.000 . 2 . . . . 113 P HD3 . 17953 1 1068 . 1 1 118 118 PRO C C 13 175.762 0.000 . 1 . . . . 113 P C . 17953 1 1069 . 1 1 118 118 PRO CA C 13 62.821 0.000 . 1 . . . . 113 P CA . 17953 1 1070 . 1 1 118 118 PRO CB C 13 32.817 0.000 . 1 . . . . 113 P CB . 17953 1 1071 . 1 1 118 118 PRO CG C 13 28.295 0.000 . 1 . . . . 113 P CG . 17953 1 1072 . 1 1 118 118 PRO CD C 13 50.657 0.000 . 1 . . . . 113 P CD . 17953 1 1073 . 1 1 119 119 ALA H H 1 8.868 0.000 . 1 . . . . 114 A H . 17953 1 1074 . 1 1 119 119 ALA HA H 1 4.584 0.000 . 1 . . . . 114 A HA . 17953 1 1075 . 1 1 119 119 ALA HB1 H 1 1.343 0.000 . . . . . . 114 A QB . 17953 1 1076 . 1 1 119 119 ALA HB2 H 1 1.343 0.000 . . . . . . 114 A QB . 17953 1 1077 . 1 1 119 119 ALA HB3 H 1 1.343 0.000 . . . . . . 114 A QB . 17953 1 1078 . 1 1 119 119 ALA CA C 13 50.164 0.000 . 1 . . . . 114 A CA . 17953 1 1079 . 1 1 119 119 ALA CB C 13 18.249 0.000 . 1 . . . . 114 A CB . 17953 1 1080 . 1 1 119 119 ALA N N 15 129.478 0.000 . 1 . . . . 114 A N . 17953 1 1081 . 1 1 120 120 PRO HA H 1 4.301 0.000 . 1 . . . . 115 P HA . 17953 1 1082 . 1 1 120 120 PRO HB2 H 1 1.871 0.000 . 2 . . . . 115 P HB2 . 17953 1 1083 . 1 1 120 120 PRO HB3 H 1 2.273 0.000 . 2 . . . . 115 P HB3 . 17953 1 1084 . 1 1 120 120 PRO C C 13 177.371 0.000 . 1 . . . . 115 P C . 17953 1 1085 . 1 1 120 120 PRO CA C 13 63.788 0.000 . 1 . . . . 115 P CA . 17953 1 1086 . 1 1 120 120 PRO CB C 13 32.250 0.000 . 1 . . . . 115 P CB . 17953 1 1087 . 1 1 121 121 SER H H 1 7.590 0.000 . 1 . . . . 116 S H . 17953 1 1088 . 1 1 121 121 SER HA H 1 4.442 0.000 . 1 . . . . 116 S HA . 17953 1 1089 . 1 1 121 121 SER HB2 H 1 3.435 0.000 . 2 . . . . 116 S HB2 . 17953 1 1090 . 1 1 121 121 SER HB3 H 1 3.821 0.000 . 2 . . . . 116 S HB3 . 17953 1 1091 . 1 1 121 121 SER C C 13 173.410 0.000 . 1 . . . . 116 S C . 17953 1 1092 . 1 1 121 121 SER CA C 13 59.438 0.000 . 1 . . . . 116 S CA . 17953 1 1093 . 1 1 121 121 SER CB C 13 62.894 0.000 . 1 . . . . 116 S CB . 17953 1 1094 . 1 1 121 121 SER N N 15 119.096 0.000 . 1 . . . . 116 S N . 17953 1 1095 . 1 1 122 122 ASP H H 1 8.037 0.000 . 1 . . . . 117 D H . 17953 1 1096 . 1 1 122 122 ASP HA H 1 4.530 0.000 . 1 . . . . 117 D HA . 17953 1 1097 . 1 1 122 122 ASP HB2 H 1 2.317 0.000 . 2 . . . . 117 D HB2 . 17953 1 1098 . 1 1 122 122 ASP HB3 H 1 2.830 0.000 . 2 . . . . 117 D HB3 . 17953 1 1099 . 1 1 122 122 ASP C C 13 176.177 0.000 . 1 . . . . 117 D C . 17953 1 1100 . 1 1 122 122 ASP CA C 13 52.929 0.000 . 1 . . . . 117 D CA . 17953 1 1101 . 1 1 122 122 ASP CB C 13 41.846 0.000 . 1 . . . . 117 D CB . 17953 1 1102 . 1 1 122 122 ASP N N 15 123.225 0.000 . 1 . . . . 117 D N . 17953 1 1103 . 1 1 123 123 GLU H H 1 8.565 0.000 . 1 . . . . 118 E H . 17953 1 1104 . 1 1 123 123 GLU HA H 1 4.051 0.000 . 1 . . . . 118 E HA . 17953 1 1105 . 1 1 123 123 GLU HB2 H 1 2.005 0.000 . 2 . . . . 118 E QB . 17953 1 1106 . 1 1 123 123 GLU HB3 H 1 2.005 0.000 . 2 . . . . 118 E QB . 17953 1 1107 . 1 1 123 123 GLU HG2 H 1 2.271 0.000 . 2 . . . . 118 E QG . 17953 1 1108 . 1 1 123 123 GLU HG3 H 1 2.271 0.000 . 2 . . . . 118 E QG . 17953 1 1109 . 1 1 123 123 GLU C C 13 176.612 0.000 . 1 . . . . 118 E C . 17953 1 1110 . 1 1 123 123 GLU CA C 13 58.402 0.000 . 1 . . . . 118 E CA . 17953 1 1111 . 1 1 123 123 GLU CB C 13 29.498 0.000 . 1 . . . . 118 E CB . 17953 1 1112 . 1 1 123 123 GLU CG C 13 36.653 0.000 . 1 . . . . 118 E CG . 17953 1 1113 . 1 1 123 123 GLU N N 15 124.106 0.000 . 1 . . . . 118 E N . 17953 1 1114 . 1 1 124 124 SER H H 1 8.868 0.000 . 1 . . . . 119 S H . 17953 1 1115 . 1 1 124 124 SER HA H 1 4.224 0.000 . 1 . . . . 119 S HA . 17953 1 1116 . 1 1 124 124 SER HB2 H 1 3.795 0.000 . 2 . . . . 119 S QB . 17953 1 1117 . 1 1 124 124 SER HB3 H 1 3.795 0.000 . 2 . . . . 119 S QB . 17953 1 1118 . 1 1 124 124 SER C C 13 173.049 0.000 . 1 . . . . 119 S C . 17953 1 1119 . 1 1 124 124 SER CA C 13 60.708 0.000 . 1 . . . . 119 S CA . 17953 1 1120 . 1 1 124 124 SER CB C 13 63.830 0.000 . 1 . . . . 119 S CB . 17953 1 1121 . 1 1 124 124 SER N N 15 115.540 0.000 . 1 . . . . 119 S N . 17953 1 1122 . 1 1 125 125 VAL H H 1 7.711 0.000 . 1 . . . . 120 V H . 17953 1 1123 . 1 1 125 125 VAL HA H 1 4.283 0.000 . 1 . . . . 120 V HA . 17953 1 1124 . 1 1 125 125 VAL HB H 1 1.852 0.000 . 1 . . . . 120 V HB . 17953 1 1125 . 1 1 125 125 VAL HG11 H 1 0.442 0.000 . . . . . . 120 V QG1 . 17953 1 1126 . 1 1 125 125 VAL HG12 H 1 0.442 0.000 . . . . . . 120 V QG1 . 17953 1 1127 . 1 1 125 125 VAL HG13 H 1 0.442 0.000 . . . . . . 120 V QG1 . 17953 1 1128 . 1 1 125 125 VAL HG21 H 1 0.137 0.000 . . . . . . 120 V QG2 . 17953 1 1129 . 1 1 125 125 VAL HG22 H 1 0.137 0.000 . . . . . . 120 V QG2 . 17953 1 1130 . 1 1 125 125 VAL HG23 H 1 0.137 0.000 . . . . . . 120 V QG2 . 17953 1 1131 . 1 1 125 125 VAL C C 13 174.062 0.000 . 1 . . . . 120 V C . 17953 1 1132 . 1 1 125 125 VAL CA C 13 61.352 0.000 . 1 . . . . 120 V CA . 17953 1 1133 . 1 1 125 125 VAL CB C 13 31.068 0.000 . 1 . . . . 120 V CB . 17953 1 1134 . 1 1 125 125 VAL CG1 C 13 21.936 0.000 . 2 . . . . 120 V CG1 . 17953 1 1135 . 1 1 125 125 VAL CG2 C 13 21.413 0.000 . 2 . . . . 120 V CG2 . 17953 1 1136 . 1 1 125 125 VAL N N 15 123.649 0.000 . 1 . . . . 120 V N . 17953 1 1137 . 1 1 126 126 LYS H H 1 8.583 0.000 . 1 . . . . 121 K H . 17953 1 1138 . 1 1 126 126 LYS HA H 1 4.446 0.000 . 1 . . . . 121 K HA . 17953 1 1139 . 1 1 126 126 LYS HB2 H 1 1.644 0.000 . 2 . . . . 121 K QB . 17953 1 1140 . 1 1 126 126 LYS HB3 H 1 1.644 0.000 . 2 . . . . 121 K QB . 17953 1 1141 . 1 1 126 126 LYS HG2 H 1 1.181 0.000 . 2 . . . . 121 K QG . 17953 1 1142 . 1 1 126 126 LYS HG3 H 1 1.181 0.000 . 2 . . . . 121 K QG . 17953 1 1143 . 1 1 126 126 LYS HD2 H 1 1.455 0.000 . 2 . . . . 121 K QD . 17953 1 1144 . 1 1 126 126 LYS HD3 H 1 1.455 0.000 . 2 . . . . 121 K QD . 17953 1 1145 . 1 1 126 126 LYS HE2 H 1 2.863 0.000 . 2 . . . . 121 K QE . 17953 1 1146 . 1 1 126 126 LYS HE3 H 1 2.863 0.000 . 2 . . . . 121 K QE . 17953 1 1147 . 1 1 126 126 LYS C C 13 175.291 0.000 . 1 . . . . 121 K C . 17953 1 1148 . 1 1 126 126 LYS CA C 13 53.742 0.000 . 1 . . . . 121 K CA . 17953 1 1149 . 1 1 126 126 LYS CB C 13 34.191 0.000 . 1 . . . . 121 K CB . 17953 1 1150 . 1 1 126 126 LYS CG C 13 25.106 0.000 . 1 . . . . 121 K CG . 17953 1 1151 . 1 1 126 126 LYS CD C 13 28.885 0.000 . 1 . . . . 121 K CD . 17953 1 1152 . 1 1 126 126 LYS CE C 13 42.191 0.000 . 1 . . . . 121 K CE . 17953 1 1153 . 1 1 126 126 LYS N N 15 124.943 0.000 . 1 . . . . 121 K N . 17953 1 1154 . 1 1 127 127 ILE H H 1 8.245 0.000 . 1 . . . . 122 I H . 17953 1 1155 . 1 1 127 127 ILE HA H 1 5.266 0.000 . 1 . . . . 122 I HA . 17953 1 1156 . 1 1 127 127 ILE HB H 1 1.970 0.000 . 1 . . . . 122 I HB . 17953 1 1157 . 1 1 127 127 ILE HG12 H 1 1.266 0.000 . . . . . . 122 I QG1 . 17953 1 1158 . 1 1 127 127 ILE HG13 H 1 1.266 0.000 . . . . . . 122 I QG1 . 17953 1 1159 . 1 1 127 127 ILE HG21 H 1 0.763 0.000 . . . . . . 122 I QG2 . 17953 1 1160 . 1 1 127 127 ILE HG22 H 1 0.763 0.000 . . . . . . 122 I QG2 . 17953 1 1161 . 1 1 127 127 ILE HG23 H 1 0.763 0.000 . . . . . . 122 I QG2 . 17953 1 1162 . 1 1 127 127 ILE HD11 H 1 0.555 0.000 . . . . . . 122 I QD1 . 17953 1 1163 . 1 1 127 127 ILE HD12 H 1 0.555 0.000 . . . . . . 122 I QD1 . 17953 1 1164 . 1 1 127 127 ILE HD13 H 1 0.555 0.000 . . . . . . 122 I QD1 . 17953 1 1165 . 1 1 127 127 ILE C C 13 176.883 0.000 . 1 . . . . 122 I C . 17953 1 1166 . 1 1 127 127 ILE CA C 13 57.566 0.000 . 1 . . . . 122 I CA . 17953 1 1167 . 1 1 127 127 ILE CB C 13 35.560 0.000 . 1 . . . . 122 I CB . 17953 1 1168 . 1 1 127 127 ILE CG1 C 13 26.607 0.000 . 1 . . . . 122 I CG1 . 17953 1 1169 . 1 1 127 127 ILE CG2 C 13 17.119 0.000 . 1 . . . . 122 I CG2 . 17953 1 1170 . 1 1 127 127 ILE CD1 C 13 9.147 0.000 . 1 . . . . 122 I CD1 . 17953 1 1171 . 1 1 127 127 ILE N N 15 120.872 0.000 . 1 . . . . 122 I N . 17953 1 1172 . 1 1 128 128 GLU H H 1 9.293 0.000 . 1 . . . . 123 E H . 17953 1 1173 . 1 1 128 128 GLU HA H 1 4.870 0.000 . 1 . . . . 123 E HA . 17953 1 1174 . 1 1 128 128 GLU HB2 H 1 1.732 0.000 . 2 . . . . 123 E HB2 . 17953 1 1175 . 1 1 128 128 GLU HB3 H 1 2.158 0.000 . 2 . . . . 123 E HB3 . 17953 1 1176 . 1 1 128 128 GLU HG2 H 1 1.997 0.000 . 2 . . . . 123 E HG2 . 17953 1 1177 . 1 1 128 128 GLU HG3 H 1 1.927 0.000 . 2 . . . . 123 E HG3 . 17953 1 1178 . 1 1 128 128 GLU C C 13 174.361 0.000 . 1 . . . . 123 E C . 17953 1 1179 . 1 1 128 128 GLU CA C 13 55.141 0.000 . 1 . . . . 123 E CA . 17953 1 1180 . 1 1 128 128 GLU CB C 13 34.972 0.000 . 1 . . . . 123 E CB . 17953 1 1181 . 1 1 128 128 GLU CG C 13 37.453 0.000 . 1 . . . . 123 E CG . 17953 1 1182 . 1 1 128 128 GLU N N 15 127.327 0.000 . 1 . . . . 123 E N . 17953 1 1183 . 1 1 129 129 GLU H H 1 8.800 0.000 . 1 . . . . 124 E H . 17953 1 1184 . 1 1 129 129 GLU HA H 1 5.466 0.000 . 1 . . . . 124 E HA . 17953 1 1185 . 1 1 129 129 GLU HB2 H 1 1.921 0.000 . 2 . . . . 124 E HB2 . 17953 1 1186 . 1 1 129 129 GLU HB3 H 1 2.054 0.000 . 2 . . . . 124 E HB3 . 17953 1 1187 . 1 1 129 129 GLU HG2 H 1 2.214 0.000 . 2 . . . . 124 E QG . 17953 1 1188 . 1 1 129 129 GLU HG3 H 1 2.214 0.000 . 2 . . . . 124 E QG . 17953 1 1189 . 1 1 129 129 GLU C C 13 175.870 0.000 . 1 . . . . 124 E C . 17953 1 1190 . 1 1 129 129 GLU CA C 13 54.971 0.000 . 1 . . . . 124 E CA . 17953 1 1191 . 1 1 129 129 GLU CB C 13 32.414 0.000 . 1 . . . . 124 E CB . 17953 1 1192 . 1 1 129 129 GLU CG C 13 37.282 0.000 . 1 . . . . 124 E CG . 17953 1 1193 . 1 1 129 129 GLU N N 15 122.247 0.000 . 1 . . . . 124 E N . 17953 1 1194 . 1 1 130 130 ARG H H 1 9.204 0.000 . 1 . . . . 125 R H . 17953 1 1195 . 1 1 130 130 ARG HA H 1 4.641 0.000 . 1 . . . . 125 R HA . 17953 1 1196 . 1 1 130 130 ARG HB2 H 1 1.558 0.000 . 2 . . . . 125 R QB . 17953 1 1197 . 1 1 130 130 ARG HB3 H 1 1.558 0.000 . 2 . . . . 125 R QB . 17953 1 1198 . 1 1 130 130 ARG HD2 H 1 3.004 0.000 . 2 . . . . 125 R QD . 17953 1 1199 . 1 1 130 130 ARG HD3 H 1 3.004 0.000 . 2 . . . . 125 R QD . 17953 1 1200 . 1 1 130 130 ARG C C 13 174.653 0.000 . 1 . . . . 125 R C . 17953 1 1201 . 1 1 130 130 ARG CA C 13 55.737 0.000 . 1 . . . . 125 R CA . 17953 1 1202 . 1 1 130 130 ARG CB C 13 34.746 0.000 . 1 . . . . 125 R CB . 17953 1 1203 . 1 1 130 130 ARG N N 15 123.810 0.000 . 1 . . . . 125 R N . 17953 1 1204 . 1 1 131 131 GLU H H 1 8.779 0.000 . 1 . . . . 126 E H . 17953 1 1205 . 1 1 131 131 GLU HA H 1 4.597 0.000 . 1 . . . . 126 E HA . 17953 1 1206 . 1 1 131 131 GLU HB2 H 1 2.065 0.000 . 2 . . . . 126 E HB2 . 17953 1 1207 . 1 1 131 131 GLU HB3 H 1 2.288 0.000 . 2 . . . . 126 E HB3 . 17953 1 1208 . 1 1 131 131 GLU HG2 H 1 2.454 0.000 . 2 . . . . 126 E HG2 . 17953 1 1209 . 1 1 131 131 GLU HG3 H 1 2.356 0.000 . 2 . . . . 126 E HG3 . 17953 1 1210 . 1 1 131 131 GLU C C 13 176.666 0.000 . 1 . . . . 126 E C . 17953 1 1211 . 1 1 131 131 GLU CA C 13 56.104 0.000 . 1 . . . . 126 E CA . 17953 1 1212 . 1 1 131 131 GLU CB C 13 30.605 0.000 . 1 . . . . 126 E CB . 17953 1 1213 . 1 1 131 131 GLU N N 15 124.390 0.000 . 1 . . . . 126 E N . 17953 1 1214 . 1 1 132 132 GLY H H 1 8.571 0.000 . 1 . . . . 127 G H . 17953 1 1215 . 1 1 132 132 GLY HA2 H 1 3.862 0.000 . 2 . . . . 127 G HA2 . 17953 1 1216 . 1 1 132 132 GLY HA3 H 1 4.112 0.000 . 2 . . . . 127 G HA3 . 17953 1 1217 . 1 1 132 132 GLY C C 13 173.171 0.000 . 1 . . . . 127 G C . 17953 1 1218 . 1 1 132 132 GLY CA C 13 46.591 0.000 . 1 . . . . 127 G CA . 17953 1 1219 . 1 1 132 132 GLY N N 15 107.207 0.000 . 1 . . . . 127 G N . 17953 1 1220 . 1 1 133 133 ILE H H 1 7.626 0.000 . 1 . . . . 128 I H . 17953 1 1221 . 1 1 133 133 ILE HA H 1 4.713 0.000 . 1 . . . . 128 I HA . 17953 1 1222 . 1 1 133 133 ILE HB H 1 1.601 0.000 . 1 . . . . 128 I HB . 17953 1 1223 . 1 1 133 133 ILE HG12 H 1 1.116 0.000 . 2 . . . . 128 I HG12 . 17953 1 1224 . 1 1 133 133 ILE HG13 H 1 0.913 0.000 . 2 . . . . 128 I HG13 . 17953 1 1225 . 1 1 133 133 ILE HD11 H 1 0.710 0.000 . . . . . . 128 I QD1 . 17953 1 1226 . 1 1 133 133 ILE HD12 H 1 0.710 0.000 . . . . . . 128 I QD1 . 17953 1 1227 . 1 1 133 133 ILE HD13 H 1 0.710 0.000 . . . . . . 128 I QD1 . 17953 1 1228 . 1 1 133 133 ILE C C 13 174.068 0.000 . 1 . . . . 128 I C . 17953 1 1229 . 1 1 133 133 ILE CA C 13 59.778 0.000 . 1 . . . . 128 I CA . 17953 1 1230 . 1 1 133 133 ILE CB C 13 42.643 0.000 . 1 . . . . 128 I CB . 17953 1 1231 . 1 1 133 133 ILE CG1 C 13 25.156 0.000 . 1 . . . . 128 I CG1 . 17953 1 1232 . 1 1 133 133 ILE CG2 C 13 16.964 0.000 . 1 . . . . 128 I CG2 . 17953 1 1233 . 1 1 133 133 ILE CD1 C 13 14.115 0.000 . 1 . . . . 128 I CD1 . 17953 1 1234 . 1 1 133 133 ILE N N 15 115.193 0.000 . 1 . . . . 128 I N . 17953 1 1235 . 1 1 134 134 THR H H 1 8.628 0.000 . 1 . . . . 129 T H . 17953 1 1236 . 1 1 134 134 THR HA H 1 5.509 0.000 . 1 . . . . 129 T HA . 17953 1 1237 . 1 1 134 134 THR HB H 1 3.801 0.000 . 1 . . . . 129 T HB . 17953 1 1238 . 1 1 134 134 THR HG21 H 1 0.831 0.000 . . . . . . 129 T QG2 . 17953 1 1239 . 1 1 134 134 THR HG22 H 1 0.831 0.000 . . . . . . 129 T QG2 . 17953 1 1240 . 1 1 134 134 THR HG23 H 1 0.831 0.000 . . . . . . 129 T QG2 . 17953 1 1241 . 1 1 134 134 THR C C 13 173.482 0.000 . 1 . . . . 129 T C . 17953 1 1242 . 1 1 134 134 THR CA C 13 61.484 0.000 . 1 . . . . 129 T CA . 17953 1 1243 . 1 1 134 134 THR CB C 13 69.365 0.000 . 1 . . . . 129 T CB . 17953 1 1244 . 1 1 134 134 THR CG2 C 13 22.441 0.000 . 1 . . . . 129 T CG2 . 17953 1 1245 . 1 1 134 134 THR N N 15 121.977 0.000 . 1 . . . . 129 T N . 17953 1 1246 . 1 1 135 135 VAL H H 1 8.664 0.000 . 1 . . . . 130 V H . 17953 1 1247 . 1 1 135 135 VAL HA H 1 5.288 0.000 . 1 . . . . 130 V HA . 17953 1 1248 . 1 1 135 135 VAL HB H 1 1.700 0.000 . 1 . . . . 130 V HB . 17953 1 1249 . 1 1 135 135 VAL HG11 H 1 -0.466 0.000 . . . . . . 130 V QG1 . 17953 1 1250 . 1 1 135 135 VAL HG12 H 1 -0.466 0.000 . . . . . . 130 V QG1 . 17953 1 1251 . 1 1 135 135 VAL HG13 H 1 -0.466 0.000 . . . . . . 130 V QG1 . 17953 1 1252 . 1 1 135 135 VAL HG21 H 1 0.557 0.000 . . . . . . 130 V QG2 . 17953 1 1253 . 1 1 135 135 VAL HG22 H 1 0.557 0.000 . . . . . . 130 V QG2 . 17953 1 1254 . 1 1 135 135 VAL HG23 H 1 0.557 0.000 . . . . . . 130 V QG2 . 17953 1 1255 . 1 1 135 135 VAL C C 13 173.793 0.000 . 1 . . . . 130 V C . 17953 1 1256 . 1 1 135 135 VAL CA C 13 57.444 0.000 . 1 . . . . 130 V CA . 17953 1 1257 . 1 1 135 135 VAL CB C 13 36.069 0.000 . 1 . . . . 130 V CB . 17953 1 1258 . 1 1 135 135 VAL CG1 C 13 17.014 0.000 . 2 . . . . 130 V CG1 . 17953 1 1259 . 1 1 135 135 VAL CG2 C 13 21.316 0.000 . 2 . . . . 130 V CG2 . 17953 1 1260 . 1 1 135 135 VAL N N 15 117.109 0.000 . 1 . . . . 130 V N . 17953 1 1261 . 1 1 136 136 TYR H H 1 9.158 0.000 . 1 . . . . 131 Y H . 17953 1 1262 . 1 1 136 136 TYR HA H 1 5.027 0.000 . 1 . . . . 131 Y HA . 17953 1 1263 . 1 1 136 136 TYR HB2 H 1 2.351 0.000 . 2 . . . . 131 Y HB2 . 17953 1 1264 . 1 1 136 136 TYR HB3 H 1 2.524 0.000 . 2 . . . . 131 Y HB3 . 17953 1 1265 . 1 1 136 136 TYR HD1 H 1 6.622 0.000 . 3 . . . . 131 Y QD . 17953 1 1266 . 1 1 136 136 TYR HD2 H 1 6.622 0.000 . 3 . . . . 131 Y QD . 17953 1 1267 . 1 1 136 136 TYR HE1 H 1 6.696 0.000 . 3 . . . . 131 Y QE . 17953 1 1268 . 1 1 136 136 TYR HE2 H 1 6.696 0.000 . 3 . . . . 131 Y QE . 17953 1 1269 . 1 1 136 136 TYR C C 13 174.695 0.000 . 1 . . . . 131 Y C . 17953 1 1270 . 1 1 136 136 TYR CA C 13 56.751 0.000 . 1 . . . . 131 Y CA . 17953 1 1271 . 1 1 136 136 TYR CB C 13 40.115 0.000 . 1 . . . . 131 Y CB . 17953 1 1272 . 1 1 136 136 TYR CD1 C 13 132.467 0.000 . 3 . . . . 131 Y CD1 . 17953 1 1273 . 1 1 136 136 TYR CE1 C 13 117.121 0.000 . 3 . . . . 131 Y CE1 . 17953 1 1274 . 1 1 136 136 TYR N N 15 119.332 0.000 . 1 . . . . 131 Y N . 17953 1 1275 . 1 1 137 137 SER H H 1 9.247 0.000 . 1 . . . . 132 S H . 17953 1 1276 . 1 1 137 137 SER HA H 1 6.140 0.000 . 1 . . . . 132 S HA . 17953 1 1277 . 1 1 137 137 SER HB2 H 1 3.176 0.000 . 2 . . . . 132 S HB2 . 17953 1 1278 . 1 1 137 137 SER HB3 H 1 2.965 0.000 . 2 . . . . 132 S HB3 . 17953 1 1279 . 1 1 137 137 SER C C 13 175.331 0.000 . 1 . . . . 132 S C . 17953 1 1280 . 1 1 137 137 SER CA C 13 56.146 0.000 . 1 . . . . 132 S CA . 17953 1 1281 . 1 1 137 137 SER CB C 13 65.522 0.000 . 1 . . . . 132 S CB . 17953 1 1282 . 1 1 137 137 SER N N 15 116.529 0.000 . 1 . . . . 132 S N . 17953 1 1283 . 1 1 138 138 THR H H 1 8.550 0.000 . 1 . . . . 133 T H . 17953 1 1284 . 1 1 138 138 THR HA H 1 5.150 0.000 . 1 . . . . 133 T HA . 17953 1 1285 . 1 1 138 138 THR HB H 1 4.183 0.000 . 1 . . . . 133 T HB . 17953 1 1286 . 1 1 138 138 THR HG21 H 1 1.385 0.000 . . . . . . 133 T QG2 . 17953 1 1287 . 1 1 138 138 THR HG22 H 1 1.385 0.000 . . . . . . 133 T QG2 . 17953 1 1288 . 1 1 138 138 THR HG23 H 1 1.385 0.000 . . . . . . 133 T QG2 . 17953 1 1289 . 1 1 138 138 THR C C 13 171.249 0.000 . 1 . . . . 133 T C . 17953 1 1290 . 1 1 138 138 THR CA C 13 61.281 0.000 . 1 . . . . 133 T CA . 17953 1 1291 . 1 1 138 138 THR CB C 13 71.432 0.000 . 1 . . . . 133 T CB . 17953 1 1292 . 1 1 138 138 THR CG2 C 13 19.998 0.000 . 1 . . . . 133 T CG2 . 17953 1 1293 . 1 1 138 138 THR N N 15 120.798 0.000 . 1 . . . . 133 T N . 17953 1 1294 . 1 1 139 139 GLN H H 1 8.540 0.000 . 1 . . . . 134 Q H . 17953 1 1295 . 1 1 139 139 GLN HA H 1 6.004 0.000 . 1 . . . . 134 Q HA . 17953 1 1296 . 1 1 139 139 GLN HB2 H 1 2.213 0.000 . 2 . . . . 134 Q QB . 17953 1 1297 . 1 1 139 139 GLN HB3 H 1 2.213 0.000 . 2 . . . . 134 Q QB . 17953 1 1298 . 1 1 139 139 GLN HG2 H 1 2.519 0.000 . 2 . . . . 134 Q HG2 . 17953 1 1299 . 1 1 139 139 GLN HG3 H 1 2.327 0.000 . 2 . . . . 134 Q HG3 . 17953 1 1300 . 1 1 139 139 GLN C C 13 174.695 0.000 . 1 . . . . 134 Q C . 17953 1 1301 . 1 1 139 139 GLN CA C 13 54.206 0.000 . 1 . . . . 134 Q CA . 17953 1 1302 . 1 1 139 139 GLN CB C 13 34.020 0.000 . 1 . . . . 134 Q CB . 17953 1 1303 . 1 1 139 139 GLN CG C 13 35.423 0.000 . 1 . . . . 134 Q CG . 17953 1 1304 . 1 1 139 139 GLN N N 15 126.284 0.000 . 1 . . . . 134 Q N . 17953 1 1305 . 1 1 140 140 PHE H H 1 9.129 0.000 . 1 . . . . 135 F H . 17953 1 1306 . 1 1 140 140 PHE HA H 1 5.024 0.000 . 1 . . . . 135 F HA . 17953 1 1307 . 1 1 140 140 PHE HB2 H 1 2.774 0.000 . 2 . . . . 135 F HB2 . 17953 1 1308 . 1 1 140 140 PHE HB3 H 1 2.925 0.000 . 2 . . . . 135 F HB3 . 17953 1 1309 . 1 1 140 140 PHE HE1 H 1 6.986 0.000 . 3 . . . . 135 F QE . 17953 1 1310 . 1 1 140 140 PHE HE2 H 1 6.986 0.000 . 3 . . . . 135 F QE . 17953 1 1311 . 1 1 140 140 PHE HZ H 1 6.684 0.000 . 1 . . . . 135 F HZ . 17953 1 1312 . 1 1 140 140 PHE CA C 13 56.162 0.000 . 1 . . . . 135 F CA . 17953 1 1313 . 1 1 140 140 PHE CB C 13 40.573 0.000 . 1 . . . . 135 F CB . 17953 1 1314 . 1 1 140 140 PHE CD1 C 13 128.377 0.000 . 3 . . . . 135 F CD1 . 17953 1 1315 . 1 1 140 140 PHE CE1 C 13 133.104 0.000 . 3 . . . . 135 F CE1 . 17953 1 1316 . 1 1 140 140 PHE CZ C 13 128.424 0.000 . 1 . . . . 135 F CZ . 17953 1 1317 . 1 1 140 140 PHE N N 15 122.585 0.000 . 1 . . . . 135 F N . 17953 1 1318 . 1 1 141 141 GLY HA2 H 1 4.166 0.000 . 2 . . . . 136 G HA2 . 17953 1 1319 . 1 1 141 141 GLY HA3 H 1 3.861 0.000 . 2 . . . . 136 G HA3 . 17953 1 1320 . 1 1 141 141 GLY C C 13 174.930 0.000 . 1 . . . . 136 G C . 17953 1 1321 . 1 1 141 141 GLY CA C 13 46.237 0.000 . 1 . . . . 136 G CA . 17953 1 1322 . 1 1 142 142 GLY H H 1 7.628 0.000 . 1 . . . . 137 G H . 17953 1 1323 . 1 1 142 142 GLY HA2 H 1 3.752 0.000 . 2 . . . . 137 G HA2 . 17953 1 1324 . 1 1 142 142 GLY HA3 H 1 4.734 0.000 . 2 . . . . 137 G HA3 . 17953 1 1325 . 1 1 142 142 GLY CA C 13 44.241 0.000 . 1 . . . . 137 G CA . 17953 1 1326 . 1 1 142 142 GLY N N 15 104.329 0.000 . 1 . . . . 137 G N . 17953 1 1327 . 1 1 143 143 TYR HA H 1 4.539 0.000 . 1 . . . . 138 Y HA . 17953 1 1328 . 1 1 143 143 TYR HB2 H 1 2.980 0.000 . 2 . . . . 138 Y QB . 17953 1 1329 . 1 1 143 143 TYR HB3 H 1 2.980 0.000 . 2 . . . . 138 Y QB . 17953 1 1330 . 1 1 143 143 TYR HD1 H 1 7.056 0.000 . 3 . . . . 138 Y QD . 17953 1 1331 . 1 1 143 143 TYR HD2 H 1 7.056 0.000 . 3 . . . . 138 Y QD . 17953 1 1332 . 1 1 143 143 TYR HE1 H 1 6.807 0.000 . 3 . . . . 138 Y QE . 17953 1 1333 . 1 1 143 143 TYR HE2 H 1 6.807 0.000 . 3 . . . . 138 Y QE . 17953 1 1334 . 1 1 143 143 TYR C C 13 175.382 0.000 . 1 . . . . 138 Y C . 17953 1 1335 . 1 1 143 143 TYR CA C 13 58.046 0.000 . 1 . . . . 138 Y CA . 17953 1 1336 . 1 1 143 143 TYR CB C 13 37.634 0.000 . 1 . . . . 138 Y CB . 17953 1 1337 . 1 1 143 143 TYR CD1 C 13 132.953 0.000 . 3 . . . . 138 Y CD1 . 17953 1 1338 . 1 1 143 143 TYR CE1 C 13 118.069 0.000 . 3 . . . . 138 Y CE1 . 17953 1 1339 . 1 1 144 144 ALA H H 1 8.793 0.000 . 1 . . . . 139 A H . 17953 1 1340 . 1 1 144 144 ALA HA H 1 4.558 0.000 . 1 . . . . 139 A HA . 17953 1 1341 . 1 1 144 144 ALA HB1 H 1 1.009 0.000 . . . . . . 139 A QB . 17953 1 1342 . 1 1 144 144 ALA HB2 H 1 1.009 0.000 . . . . . . 139 A QB . 17953 1 1343 . 1 1 144 144 ALA HB3 H 1 1.009 0.000 . . . . . . 139 A QB . 17953 1 1344 . 1 1 144 144 ALA C C 13 176.648 0.000 . 1 . . . . 139 A C . 17953 1 1345 . 1 1 144 144 ALA CA C 13 52.079 0.000 . 1 . . . . 139 A CA . 17953 1 1346 . 1 1 144 144 ALA CB C 13 19.850 0.000 . 1 . . . . 139 A CB . 17953 1 1347 . 1 1 144 144 ALA N N 15 129.577 0.000 . 1 . . . . 139 A N . 17953 1 1348 . 1 1 145 145 LYS H H 1 9.626 0.000 . 1 . . . . 140 K H . 17953 1 1349 . 1 1 145 145 LYS HA H 1 5.069 0.000 . 1 . . . . 140 K HA . 17953 1 1350 . 1 1 145 145 LYS HB2 H 1 1.866 0.000 . 2 . . . . 140 K QB . 17953 1 1351 . 1 1 145 145 LYS HB3 H 1 1.866 0.000 . 2 . . . . 140 K QB . 17953 1 1352 . 1 1 145 145 LYS HD2 H 1 1.564 0.000 . 2 . . . . 140 K QD . 17953 1 1353 . 1 1 145 145 LYS HD3 H 1 1.564 0.000 . 2 . . . . 140 K QD . 17953 1 1354 . 1 1 145 145 LYS HE2 H 1 3.040 0.000 . 2 . . . . 140 K QE . 17953 1 1355 . 1 1 145 145 LYS HE3 H 1 3.040 0.000 . 2 . . . . 140 K QE . 17953 1 1356 . 1 1 145 145 LYS C C 13 177.344 0.000 . 1 . . . . 140 K C . 17953 1 1357 . 1 1 145 145 LYS CA C 13 54.163 0.000 . 1 . . . . 140 K CA . 17953 1 1358 . 1 1 145 145 LYS CB C 13 35.206 0.000 . 1 . . . . 140 K CB . 17953 1 1359 . 1 1 145 145 LYS CE C 13 42.515 0.000 . 1 . . . . 140 K CE . 17953 1 1360 . 1 1 145 145 LYS N N 15 124.644 0.000 . 1 . . . . 140 K N . 17953 1 1361 . 1 1 146 146 GLU H H 1 10.620 0.000 . 1 . . . . 141 E H . 17953 1 1362 . 1 1 146 146 GLU HA H 1 4.186 0.000 . 1 . . . . 141 E HA . 17953 1 1363 . 1 1 146 146 GLU HB2 H 1 2.400 0.000 . 2 . . . . 141 E QB . 17953 1 1364 . 1 1 146 146 GLU HB3 H 1 2.400 0.000 . 2 . . . . 141 E QB . 17953 1 1365 . 1 1 146 146 GLU C C 13 177.371 0.000 . 1 . . . . 141 E C . 17953 1 1366 . 1 1 146 146 GLU CA C 13 62.262 0.000 . 1 . . . . 141 E CA . 17953 1 1367 . 1 1 146 146 GLU CB C 13 30.206 0.000 . 1 . . . . 141 E CB . 17953 1 1368 . 1 1 146 146 GLU CG C 13 35.757 0.000 . 1 . . . . 141 E CG . 17953 1 1369 . 1 1 146 146 GLU N N 15 125.451 0.000 . 1 . . . . 141 E N . 17953 1 1370 . 1 1 147 147 ALA H H 1 8.689 0.000 . 1 . . . . 142 A H . 17953 1 1371 . 1 1 147 147 ALA HA H 1 4.176 0.000 . 1 . . . . 142 A HA . 17953 1 1372 . 1 1 147 147 ALA HB1 H 1 1.464 0.000 . . . . . . 142 A QB . 17953 1 1373 . 1 1 147 147 ALA HB2 H 1 1.464 0.000 . . . . . . 142 A QB . 17953 1 1374 . 1 1 147 147 ALA HB3 H 1 1.464 0.000 . . . . . . 142 A QB . 17953 1 1375 . 1 1 147 147 ALA C C 13 180.748 0.000 . 1 . . . . 142 A C . 17953 1 1376 . 1 1 147 147 ALA CA C 13 55.275 0.000 . 1 . . . . 142 A CA . 17953 1 1377 . 1 1 147 147 ALA CB C 13 18.779 0.000 . 1 . . . . 142 A CB . 17953 1 1378 . 1 1 147 147 ALA N N 15 115.872 0.000 . 1 . . . . 142 A N . 17953 1 1379 . 1 1 148 148 ASP H H 1 7.999 0.000 . 1 . . . . 143 D H . 17953 1 1380 . 1 1 148 148 ASP HA H 1 4.548 0.000 . 1 . . . . 143 D HA . 17953 1 1381 . 1 1 148 148 ASP HB2 H 1 2.786 0.000 . 2 . . . . 143 D QB . 17953 1 1382 . 1 1 148 148 ASP HB3 H 1 2.786 0.000 . 2 . . . . 143 D QB . 17953 1 1383 . 1 1 148 148 ASP C C 13 178.800 0.000 . 1 . . . . 143 D C . 17953 1 1384 . 1 1 148 148 ASP CA C 13 57.268 0.000 . 1 . . . . 143 D CA . 17953 1 1385 . 1 1 148 148 ASP CB C 13 42.269 0.000 . 1 . . . . 143 D CB . 17953 1 1386 . 1 1 148 148 ASP N N 15 117.021 0.000 . 1 . . . . 143 D N . 17953 1 1387 . 1 1 149 149 TYR H H 1 8.028 0.000 . 1 . . . . 144 Y H . 17953 1 1388 . 1 1 149 149 TYR HA H 1 4.409 0.000 . 1 . . . . 144 Y HA . 17953 1 1389 . 1 1 149 149 TYR HB2 H 1 3.270 0.000 . 2 . . . . 144 Y HB2 . 17953 1 1390 . 1 1 149 149 TYR HB3 H 1 3.583 0.000 . 2 . . . . 144 Y HB3 . 17953 1 1391 . 1 1 149 149 TYR HD1 H 1 7.300 0.000 . 3 . . . . 144 Y QD . 17953 1 1392 . 1 1 149 149 TYR HD2 H 1 7.300 0.000 . 3 . . . . 144 Y QD . 17953 1 1393 . 1 1 149 149 TYR HE1 H 1 6.792 0.000 . 3 . . . . 144 Y QE . 17953 1 1394 . 1 1 149 149 TYR HE2 H 1 6.792 0.000 . 3 . . . . 144 Y QE . 17953 1 1395 . 1 1 149 149 TYR C C 13 178.131 0.000 . 1 . . . . 144 Y C . 17953 1 1396 . 1 1 149 149 TYR CA C 13 62.575 0.000 . 1 . . . . 144 Y CA . 17953 1 1397 . 1 1 149 149 TYR CB C 13 38.100 0.000 . 1 . . . . 144 Y CB . 17953 1 1398 . 1 1 149 149 TYR CD1 C 13 133.832 0.000 . 3 . . . . 144 Y CD1 . 17953 1 1399 . 1 1 149 149 TYR CE1 C 13 117.145 0.000 . 3 . . . . 144 Y CE1 . 17953 1 1400 . 1 1 149 149 TYR N N 15 120.620 0.000 . 1 . . . . 144 Y N . 17953 1 1401 . 1 1 150 150 VAL H H 1 8.401 0.000 . 1 . . . . 145 V H . 17953 1 1402 . 1 1 150 150 VAL HA H 1 3.925 0.000 . 1 . . . . 145 V HA . 17953 1 1403 . 1 1 150 150 VAL HB H 1 2.127 0.000 . 1 . . . . 145 V HB . 17953 1 1404 . 1 1 150 150 VAL HG11 H 1 1.298 0.000 . . . . . . 145 V QG1 . 17953 1 1405 . 1 1 150 150 VAL HG12 H 1 1.298 0.000 . . . . . . 145 V QG1 . 17953 1 1406 . 1 1 150 150 VAL HG13 H 1 1.298 0.000 . . . . . . 145 V QG1 . 17953 1 1407 . 1 1 150 150 VAL HG21 H 1 0.977 0.000 . . . . . . 145 V QG2 . 17953 1 1408 . 1 1 150 150 VAL HG22 H 1 0.977 0.000 . . . . . . 145 V QG2 . 17953 1 1409 . 1 1 150 150 VAL HG23 H 1 0.977 0.000 . . . . . . 145 V QG2 . 17953 1 1410 . 1 1 150 150 VAL C C 13 179.522 0.000 . 1 . . . . 145 V C . 17953 1 1411 . 1 1 150 150 VAL CA C 13 66.470 0.000 . 1 . . . . 145 V CA . 17953 1 1412 . 1 1 150 150 VAL CB C 13 32.376 0.000 . 1 . . . . 145 V CB . 17953 1 1413 . 1 1 150 150 VAL CG1 C 13 23.118 0.000 . 2 . . . . 145 V CG1 . 17953 1 1414 . 1 1 150 150 VAL CG2 C 13 20.956 0.000 . 2 . . . . 145 V CG2 . 17953 1 1415 . 1 1 150 150 VAL N N 15 118.653 0.000 . 1 . . . . 145 V N . 17953 1 1416 . 1 1 151 151 ALA H H 1 8.113 0.000 . 1 . . . . 146 A H . 17953 1 1417 . 1 1 151 151 ALA HA H 1 4.099 0.000 . 1 . . . . 146 A HA . 17953 1 1418 . 1 1 151 151 ALA HB1 H 1 1.375 0.000 . . . . . . 146 A QB . 17953 1 1419 . 1 1 151 151 ALA HB2 H 1 1.375 0.000 . . . . . . 146 A QB . 17953 1 1420 . 1 1 151 151 ALA HB3 H 1 1.375 0.000 . . . . . . 146 A QB . 17953 1 1421 . 1 1 151 151 ALA C C 13 181.187 0.000 . 1 . . . . 146 A C . 17953 1 1422 . 1 1 151 151 ALA CA C 13 55.446 0.000 . 1 . . . . 146 A CA . 17953 1 1423 . 1 1 151 151 ALA CB C 13 17.915 0.000 . 1 . . . . 146 A CB . 17953 1 1424 . 1 1 151 151 ALA N N 15 123.374 0.000 . 1 . . . . 146 A N . 17953 1 1425 . 1 1 152 152 HIS H H 1 8.081 0.000 . 1 . . . . 147 H H . 17953 1 1426 . 1 1 152 152 HIS HA H 1 4.037 0.000 . 1 . . . . 147 H HA . 17953 1 1427 . 1 1 152 152 HIS HB2 H 1 2.645 0.000 . 2 . . . . 147 H QB . 17953 1 1428 . 1 1 152 152 HIS HB3 H 1 2.645 0.000 . 2 . . . . 147 H QB . 17953 1 1429 . 1 1 152 152 HIS HD1 H 1 6.456 0.000 . 1 . . . . 147 H HD1 . 17953 1 1430 . 1 1 152 152 HIS C C 13 177.435 0.000 . 1 . . . . 147 H C . 17953 1 1431 . 1 1 152 152 HIS CA C 13 61.447 0.000 . 1 . . . . 147 H CA . 17953 1 1432 . 1 1 152 152 HIS CB C 13 29.278 0.000 . 1 . . . . 147 H CB . 17953 1 1433 . 1 1 152 152 HIS N N 15 116.638 0.000 . 1 . . . . 147 H N . 17953 1 1434 . 1 1 153 153 ALA H H 1 8.634 0.000 . 1 . . . . 148 A H . 17953 1 1435 . 1 1 153 153 ALA HA H 1 3.803 0.000 . 1 . . . . 148 A HA . 17953 1 1436 . 1 1 153 153 ALA HB1 H 1 1.092 0.000 . . . . . . 148 A QB . 17953 1 1437 . 1 1 153 153 ALA HB2 H 1 1.092 0.000 . . . . . . 148 A QB . 17953 1 1438 . 1 1 153 153 ALA HB3 H 1 1.092 0.000 . . . . . . 148 A QB . 17953 1 1439 . 1 1 153 153 ALA C C 13 179.266 0.000 . 1 . . . . 148 A C . 17953 1 1440 . 1 1 153 153 ALA CA C 13 56.035 0.000 . 1 . . . . 148 A CA . 17953 1 1441 . 1 1 153 153 ALA CB C 13 17.432 0.000 . 1 . . . . 148 A CB . 17953 1 1442 . 1 1 153 153 ALA N N 15 124.868 0.000 . 1 . . . . 148 A N . 17953 1 1443 . 1 1 154 154 THR H H 1 8.164 0.000 . 1 . . . . 149 T H . 17953 1 1444 . 1 1 154 154 THR HA H 1 3.737 0.000 . 1 . . . . 149 T HA . 17953 1 1445 . 1 1 154 154 THR HB H 1 4.322 0.000 . 1 . . . . 149 T HB . 17953 1 1446 . 1 1 154 154 THR HG21 H 1 1.197 0.000 . . . . . . 149 T QG2 . 17953 1 1447 . 1 1 154 154 THR HG22 H 1 1.197 0.000 . . . . . . 149 T QG2 . 17953 1 1448 . 1 1 154 154 THR HG23 H 1 1.197 0.000 . . . . . . 149 T QG2 . 17953 1 1449 . 1 1 154 154 THR C C 13 176.539 0.000 . 1 . . . . 149 T C . 17953 1 1450 . 1 1 154 154 THR CA C 13 67.099 0.000 . 1 . . . . 149 T CA . 17953 1 1451 . 1 1 154 154 THR CB C 13 68.717 0.000 . 1 . . . . 149 T CB . 17953 1 1452 . 1 1 154 154 THR CG2 C 13 21.732 0.000 . 1 . . . . 149 T CG2 . 17953 1 1453 . 1 1 154 154 THR N N 15 115.445 0.000 . 1 . . . . 149 T N . 17953 1 1454 . 1 1 155 155 GLN H H 1 7.822 0.000 . 1 . . . . 150 Q H . 17953 1 1455 . 1 1 155 155 GLN HA H 1 4.061 0.000 . 1 . . . . 150 Q HA . 17953 1 1456 . 1 1 155 155 GLN HB2 H 1 2.092 0.000 . 2 . . . . 150 Q QB . 17953 1 1457 . 1 1 155 155 GLN HB3 H 1 2.092 0.000 . 2 . . . . 150 Q QB . 17953 1 1458 . 1 1 155 155 GLN HG2 H 1 2.267 0.000 . 2 . . . . 150 Q QG . 17953 1 1459 . 1 1 155 155 GLN HG3 H 1 2.267 0.000 . 2 . . . . 150 Q QG . 17953 1 1460 . 1 1 155 155 GLN C C 13 178.973 0.000 . 1 . . . . 150 Q C . 17953 1 1461 . 1 1 155 155 GLN CA C 13 58.927 0.000 . 1 . . . . 150 Q CA . 17953 1 1462 . 1 1 155 155 GLN CB C 13 28.546 0.000 . 1 . . . . 150 Q CB . 17953 1 1463 . 1 1 155 155 GLN N N 15 121.242 0.000 . 1 . . . . 150 Q N . 17953 1 1464 . 1 1 156 156 LEU H H 1 8.359 0.000 . 1 . . . . 151 L H . 17953 1 1465 . 1 1 156 156 LEU HA H 1 3.999 0.000 . 1 . . . . 151 L HA . 17953 1 1466 . 1 1 156 156 LEU HB2 H 1 1.820 0.000 . 2 . . . . 151 L HB2 . 17953 1 1467 . 1 1 156 156 LEU HB3 H 1 1.431 0.000 . 2 . . . . 151 L HB3 . 17953 1 1468 . 1 1 156 156 LEU HG H 1 1.223 0.000 . 1 . . . . 151 L HG . 17953 1 1469 . 1 1 156 156 LEU HD11 H 1 0.744 0.000 . . . . . . 151 L QD1 . 17953 1 1470 . 1 1 156 156 LEU HD12 H 1 0.744 0.000 . . . . . . 151 L QD1 . 17953 1 1471 . 1 1 156 156 LEU HD13 H 1 0.744 0.000 . . . . . . 151 L QD1 . 17953 1 1472 . 1 1 156 156 LEU HD21 H 1 0.644 0.000 . . . . . . 151 L QD2 . 17953 1 1473 . 1 1 156 156 LEU HD22 H 1 0.644 0.000 . . . . . . 151 L QD2 . 17953 1 1474 . 1 1 156 156 LEU HD23 H 1 0.644 0.000 . . . . . . 151 L QD2 . 17953 1 1475 . 1 1 156 156 LEU CA C 13 58.076 0.000 . 1 . . . . 151 L CA . 17953 1 1476 . 1 1 156 156 LEU CB C 13 41.288 0.000 . 1 . . . . 151 L CB . 17953 1 1477 . 1 1 156 156 LEU CD1 C 13 26.693 0.000 . 2 . . . . 151 L CD1 . 17953 1 1478 . 1 1 156 156 LEU CD2 C 13 23.193 0.000 . 2 . . . . 151 L CD2 . 17953 1 1479 . 1 1 156 156 LEU N N 15 123.411 0.000 . 1 . . . . 151 L N . 17953 1 1480 . 1 1 157 157 ARG H H 1 8.355 0.000 . 1 . . . . 152 R H . 17953 1 1481 . 1 1 157 157 ARG HA H 1 3.357 0.000 . 1 . . . . 152 R HA . 17953 1 1482 . 1 1 157 157 ARG HB2 H 1 1.768 0.000 . 2 . . . . 152 R QB . 17953 1 1483 . 1 1 157 157 ARG HB3 H 1 1.768 0.000 . 2 . . . . 152 R QB . 17953 1 1484 . 1 1 157 157 ARG CA C 13 61.139 0.000 . 1 . . . . 152 R CA . 17953 1 1485 . 1 1 157 157 ARG CB C 13 30.177 0.000 . 1 . . . . 152 R CB . 17953 1 1486 . 1 1 157 157 ARG CG C 13 28.925 0.000 . 1 . . . . 152 R CG . 17953 1 1487 . 1 1 157 157 ARG CD C 13 43.713 0.000 . 1 . . . . 152 R CD . 17953 1 1488 . 1 1 157 157 ARG N N 15 118.876 0.000 . 1 . . . . 152 R N . 17953 1 1489 . 1 1 158 158 THR H H 1 8.141 0.000 . 1 . . . . 153 T H . 17953 1 1490 . 1 1 158 158 THR HA H 1 3.876 0.000 . 1 . . . . 153 T HA . 17953 1 1491 . 1 1 158 158 THR HB H 1 4.274 0.000 . 1 . . . . 153 T HB . 17953 1 1492 . 1 1 158 158 THR HG21 H 1 1.247 0.000 . . . . . . 153 T QG2 . 17953 1 1493 . 1 1 158 158 THR HG22 H 1 1.247 0.000 . . . . . . 153 T QG2 . 17953 1 1494 . 1 1 158 158 THR HG23 H 1 1.247 0.000 . . . . . . 153 T QG2 . 17953 1 1495 . 1 1 158 158 THR C C 13 176.648 0.000 . 1 . . . . 153 T C . 17953 1 1496 . 1 1 158 158 THR CA C 13 67.052 0.000 . 1 . . . . 153 T CA . 17953 1 1497 . 1 1 158 158 THR CB C 13 68.991 0.000 . 1 . . . . 153 T CB . 17953 1 1498 . 1 1 158 158 THR CG2 C 13 21.893 0.000 . 1 . . . . 153 T CG2 . 17953 1 1499 . 1 1 159 159 THR H H 1 7.963 0.000 . 1 . . . . 154 T H . 17953 1 1500 . 1 1 159 159 THR HA H 1 3.879 0.000 . 1 . . . . 154 T HA . 17953 1 1501 . 1 1 159 159 THR HB H 1 4.309 0.000 . 1 . . . . 154 T HB . 17953 1 1502 . 1 1 159 159 THR HG21 H 1 1.252 0.000 . . . . . . 154 T QG2 . 17953 1 1503 . 1 1 159 159 THR HG22 H 1 1.252 0.000 . . . . . . 154 T QG2 . 17953 1 1504 . 1 1 159 159 THR HG23 H 1 1.252 0.000 . . . . . . 154 T QG2 . 17953 1 1505 . 1 1 159 159 THR C C 13 174.727 0.000 . 1 . . . . 154 T C . 17953 1 1506 . 1 1 159 159 THR CB C 13 68.717 0.000 . 1 . . . . 154 T CB . 17953 1 1507 . 1 1 159 159 THR CG2 C 13 21.633 0.000 . 1 . . . . 154 T CG2 . 17953 1 1508 . 1 1 159 159 THR N N 15 120.483 0.000 . 1 . . . . 154 T N . 17953 1 1509 . 1 1 160 160 LEU H H 1 7.640 0.000 . 1 . . . . 155 L H . 17953 1 1510 . 1 1 160 160 LEU HA H 1 3.978 0.000 . 1 . . . . 155 L HA . 17953 1 1511 . 1 1 160 160 LEU HB2 H 1 1.079 0.000 . 2 . . . . 155 L HB2 . 17953 1 1512 . 1 1 160 160 LEU HB3 H 1 1.450 0.000 . 2 . . . . 155 L HB3 . 17953 1 1513 . 1 1 160 160 LEU HG H 1 1.159 0.000 . 1 . . . . 155 L HG . 17953 1 1514 . 1 1 160 160 LEU HD11 H 1 -0.216 0.000 . . . . . . 155 L QD1 . 17953 1 1515 . 1 1 160 160 LEU HD12 H 1 -0.216 0.000 . . . . . . 155 L QD1 . 17953 1 1516 . 1 1 160 160 LEU HD13 H 1 -0.216 0.000 . . . . . . 155 L QD1 . 17953 1 1517 . 1 1 160 160 LEU HD21 H 1 -0.425 0.000 . . . . . . 155 L QD2 . 17953 1 1518 . 1 1 160 160 LEU HD22 H 1 -0.425 0.000 . . . . . . 155 L QD2 . 17953 1 1519 . 1 1 160 160 LEU HD23 H 1 -0.425 0.000 . . . . . . 155 L QD2 . 17953 1 1520 . 1 1 160 160 LEU C C 13 178.698 0.000 . 1 . . . . 155 L C . 17953 1 1521 . 1 1 160 160 LEU CA C 13 55.288 0.000 . 1 . . . . 155 L CA . 17953 1 1522 . 1 1 160 160 LEU CB C 13 41.827 0.000 . 1 . . . . 155 L CB . 17953 1 1523 . 1 1 160 160 LEU CG C 13 25.743 0.000 . 1 . . . . 155 L CG . 17953 1 1524 . 1 1 160 160 LEU CD1 C 13 25.802 0.000 . 2 . . . . 155 L CD1 . 17953 1 1525 . 1 1 160 160 LEU CD2 C 13 20.509 0.000 . 2 . . . . 155 L CD2 . 17953 1 1526 . 1 1 160 160 LEU N N 15 118.478 0.000 . 1 . . . . 155 L N . 17953 1 1527 . 1 1 161 161 GLU H H 1 7.602 0.000 . 1 . . . . 156 E H . 17953 1 1528 . 1 1 161 161 GLU HA H 1 4.131 0.000 . 1 . . . . 156 E HA . 17953 1 1529 . 1 1 161 161 GLU HB2 H 1 2.124 0.000 . 2 . . . . 156 E QB . 17953 1 1530 . 1 1 161 161 GLU HB3 H 1 2.124 0.000 . 2 . . . . 156 E QB . 17953 1 1531 . 1 1 161 161 GLU HG2 H 1 2.434 0.000 . 2 . . . . 156 E QG . 17953 1 1532 . 1 1 161 161 GLU HG3 H 1 2.434 0.000 . 2 . . . . 156 E QG . 17953 1 1533 . 1 1 161 161 GLU CA C 13 58.715 0.000 . 1 . . . . 156 E CA . 17953 1 1534 . 1 1 161 161 GLU N N 15 123.985 0.000 . 1 . . . . 156 E N . 17953 1 1535 . 1 1 162 162 GLY HA2 H 1 3.880 0.000 . 2 . . . . 157 G HA2 . 17953 1 1536 . 1 1 162 162 GLY HA3 H 1 4.165 0.000 . 2 . . . . 157 G HA3 . 17953 1 1537 . 1 1 162 162 GLY C C 13 174.251 0.000 . 1 . . . . 157 G C . 17953 1 1538 . 1 1 162 162 GLY CA C 13 45.528 0.000 . 1 . . . . 157 G CA . 17953 1 1539 . 1 1 163 163 THR H H 1 7.801 0.000 . 1 . . . . 158 T H . 17953 1 1540 . 1 1 163 163 THR HA H 1 5.035 0.000 . 1 . . . . 158 T HA . 17953 1 1541 . 1 1 163 163 THR HB H 1 4.469 0.000 . 1 . . . . 158 T HB . 17953 1 1542 . 1 1 163 163 THR HG21 H 1 1.210 0.000 . . . . . . 158 T QG2 . 17953 1 1543 . 1 1 163 163 THR HG22 H 1 1.210 0.000 . . . . . . 158 T QG2 . 17953 1 1544 . 1 1 163 163 THR HG23 H 1 1.210 0.000 . . . . . . 158 T QG2 . 17953 1 1545 . 1 1 163 163 THR CA C 13 60.118 0.000 . 1 . . . . 158 T CA . 17953 1 1546 . 1 1 163 163 THR CB C 13 70.012 0.000 . 1 . . . . 158 T CB . 17953 1 1547 . 1 1 163 163 THR CG2 C 13 21.076 0.000 . 1 . . . . 158 T CG2 . 17953 1 1548 . 1 1 163 163 THR N N 15 112.817 0.000 . 1 . . . . 158 T N . 17953 1 1549 . 1 1 164 164 PRO HA H 1 4.572 0.000 . 1 . . . . 159 P HA . 17953 1 1550 . 1 1 164 164 PRO HB2 H 1 2.370 0.000 . 2 . . . . 159 P HB2 . 17953 1 1551 . 1 1 164 164 PRO HB3 H 1 1.997 0.000 . 2 . . . . 159 P HB3 . 17953 1 1552 . 1 1 164 164 PRO HD2 H 1 3.900 0.000 . 2 . . . . 159 P HD2 . 17953 1 1553 . 1 1 164 164 PRO HD3 H 1 3.665 0.000 . 2 . . . . 159 P HD3 . 17953 1 1554 . 1 1 164 164 PRO C C 13 176.087 0.000 . 1 . . . . 159 P C . 17953 1 1555 . 1 1 164 164 PRO CA C 13 64.263 0.000 . 1 . . . . 159 P CA . 17953 1 1556 . 1 1 164 164 PRO CB C 13 31.611 0.000 . 1 . . . . 159 P CB . 17953 1 1557 . 1 1 164 164 PRO CD C 13 51.275 0.000 . 1 . . . . 159 P CD . 17953 1 1558 . 1 1 165 165 ALA H H 1 7.606 0.000 . 1 . . . . 160 A H . 17953 1 1559 . 1 1 165 165 ALA HA H 1 4.245 0.000 . 1 . . . . 160 A HA . 17953 1 1560 . 1 1 165 165 ALA HB1 H 1 0.848 0.000 . . . . . . 160 A QB . 17953 1 1561 . 1 1 165 165 ALA HB2 H 1 0.848 0.000 . . . . . . 160 A QB . 17953 1 1562 . 1 1 165 165 ALA HB3 H 1 0.848 0.000 . . . . . . 160 A QB . 17953 1 1563 . 1 1 165 165 ALA C C 13 176.413 0.000 . 1 . . . . 160 A C . 17953 1 1564 . 1 1 165 165 ALA CA C 13 53.439 0.000 . 1 . . . . 160 A CA . 17953 1 1565 . 1 1 165 165 ALA CB C 13 20.420 0.000 . 1 . . . . 160 A CB . 17953 1 1566 . 1 1 165 165 ALA N N 15 122.818 0.000 . 1 . . . . 160 A N . 17953 1 1567 . 1 1 166 166 THR H H 1 7.845 0.000 . 1 . . . . 161 T H . 17953 1 1568 . 1 1 166 166 THR HA H 1 4.372 0.000 . 1 . . . . 161 T HA . 17953 1 1569 . 1 1 166 166 THR HB H 1 4.056 0.000 . 1 . . . . 161 T HB . 17953 1 1570 . 1 1 166 166 THR HG21 H 1 1.114 0.000 . . . . . . 161 T QG2 . 17953 1 1571 . 1 1 166 166 THR HG22 H 1 1.114 0.000 . . . . . . 161 T QG2 . 17953 1 1572 . 1 1 166 166 THR HG23 H 1 1.114 0.000 . . . . . . 161 T QG2 . 17953 1 1573 . 1 1 166 166 THR C C 13 173.281 0.000 . 1 . . . . 161 T C . 17953 1 1574 . 1 1 166 166 THR CA C 13 60.076 0.000 . 1 . . . . 161 T CA . 17953 1 1575 . 1 1 166 166 THR CB C 13 71.184 0.000 . 1 . . . . 161 T CB . 17953 1 1576 . 1 1 166 166 THR CG2 C 13 21.870 0.000 . 1 . . . . 161 T CG2 . 17953 1 1577 . 1 1 166 166 THR N N 15 113.809 0.000 . 1 . . . . 161 T N . 17953 1 1578 . 1 1 167 167 TYR H H 1 7.665 0.000 . 1 . . . . 162 Y H . 17953 1 1579 . 1 1 167 167 TYR HA H 1 5.751 0.000 . 1 . . . . 162 Y HA . 17953 1 1580 . 1 1 167 167 TYR HB2 H 1 2.689 0.000 . 2 . . . . 162 Y HB2 . 17953 1 1581 . 1 1 167 167 TYR HB3 H 1 3.001 0.000 . 2 . . . . 162 Y HB3 . 17953 1 1582 . 1 1 167 167 TYR HD1 H 1 6.660 0.000 . 3 . . . . 162 Y QD . 17953 1 1583 . 1 1 167 167 TYR HD2 H 1 6.660 0.000 . 3 . . . . 162 Y QD . 17953 1 1584 . 1 1 167 167 TYR HE1 H 1 6.586 0.000 . 3 . . . . 162 Y QE . 17953 1 1585 . 1 1 167 167 TYR HE2 H 1 6.586 0.000 . 3 . . . . 162 Y QE . 17953 1 1586 . 1 1 167 167 TYR C C 13 175.364 0.000 . 1 . . . . 162 Y C . 17953 1 1587 . 1 1 167 167 TYR CA C 13 55.295 0.000 . 1 . . . . 162 Y CA . 17953 1 1588 . 1 1 167 167 TYR CB C 13 41.685 0.000 . 1 . . . . 162 Y CB . 17953 1 1589 . 1 1 167 167 TYR CD1 C 13 133.721 0.000 . 3 . . . . 162 Y CD1 . 17953 1 1590 . 1 1 167 167 TYR CE1 C 13 117.361 0.000 . 3 . . . . 162 Y CE1 . 17953 1 1591 . 1 1 167 167 TYR N N 15 118.778 0.000 . 1 . . . . 162 Y N . 17953 1 1592 . 1 1 168 168 GLN H H 1 9.196 0.000 . 1 . . . . 163 Q H . 17953 1 1593 . 1 1 168 168 GLN HA H 1 4.399 0.000 . 1 . . . . 163 Q HA . 17953 1 1594 . 1 1 168 168 GLN HB2 H 1 2.491 0.000 . 2 . . . . 163 Q HB2 . 17953 1 1595 . 1 1 168 168 GLN HB3 H 1 2.264 0.000 . 2 . . . . 163 Q HB3 . 17953 1 1596 . 1 1 168 168 GLN HE21 H 1 6.605 0.000 . 2 . . . . 163 Q HE21 . 17953 1 1597 . 1 1 168 168 GLN HE22 H 1 7.839 0.000 . 2 . . . . 163 Q HE22 . 17953 1 1598 . 1 1 168 168 GLN CA C 13 56.501 0.000 . 1 . . . . 163 Q CA . 17953 1 1599 . 1 1 168 168 GLN CB C 13 29.663 0.000 . 1 . . . . 163 Q CB . 17953 1 1600 . 1 1 168 168 GLN CG C 13 34.422 0.000 . 1 . . . . 163 Q CG . 17953 1 1601 . 1 1 168 168 GLN N N 15 120.497 0.000 . 1 . . . . 163 Q N . 17953 1 1602 . 1 1 168 168 GLN NE2 N 15 111.469 0.000 . 1 . . . . 163 Q NE2 . 17953 1 1603 . 1 1 169 169 GLY HA2 H 1 3.893 0.000 . 2 . . . . 164 G HA2 . 17953 1 1604 . 1 1 169 169 GLY HA3 H 1 4.444 0.000 . 2 . . . . 164 G HA3 . 17953 1 1605 . 1 1 169 169 GLY C C 13 174.891 0.000 . 1 . . . . 164 G C . 17953 1 1606 . 1 1 169 169 GLY CA C 13 45.698 0.000 . 1 . . . . 164 G CA . 17953 1 1607 . 1 1 170 170 ASP H H 1 8.961 0.000 . 1 . . . . 165 D H . 17953 1 1608 . 1 1 170 170 ASP HA H 1 4.619 0.000 . 1 . . . . 165 D HA . 17953 1 1609 . 1 1 170 170 ASP HB2 H 1 2.819 0.000 . 2 . . . . 165 D HB2 . 17953 1 1610 . 1 1 170 170 ASP HB3 H 1 2.711 0.000 . 2 . . . . 165 D HB3 . 17953 1 1611 . 1 1 170 170 ASP C C 13 174.763 0.000 . 1 . . . . 165 D C . 17953 1 1612 . 1 1 170 170 ASP CA C 13 54.291 0.000 . 1 . . . . 165 D CA . 17953 1 1613 . 1 1 170 170 ASP CB C 13 40.815 0.000 . 1 . . . . 165 D CB . 17953 1 1614 . 1 1 170 170 ASP N N 15 116.612 0.000 . 1 . . . . 165 D N . 17953 1 1615 . 1 1 171 171 VAL H H 1 7.352 0.000 . 1 . . . . 166 V H . 17953 1 1616 . 1 1 171 171 VAL HA H 1 4.696 0.000 . 1 . . . . 166 V HA . 17953 1 1617 . 1 1 171 171 VAL HB H 1 2.046 0.000 . 1 . . . . 166 V HB . 17953 1 1618 . 1 1 171 171 VAL HG11 H 1 0.623 0.000 . . . . . . 166 V QG1 . 17953 1 1619 . 1 1 171 171 VAL HG12 H 1 0.623 0.000 . . . . . . 166 V QG1 . 17953 1 1620 . 1 1 171 171 VAL HG13 H 1 0.623 0.000 . . . . . . 166 V QG1 . 17953 1 1621 . 1 1 171 171 VAL HG21 H 1 0.346 0.000 . . . . . . 166 V QG2 . 17953 1 1622 . 1 1 171 171 VAL HG22 H 1 0.346 0.000 . . . . . . 166 V QG2 . 17953 1 1623 . 1 1 171 171 VAL HG23 H 1 0.346 0.000 . . . . . . 166 V QG2 . 17953 1 1624 . 1 1 171 171 VAL C C 13 173.006 0.000 . 1 . . . . 166 V C . 17953 1 1625 . 1 1 171 171 VAL CA C 13 59.946 0.000 . 1 . . . . 166 V CA . 17953 1 1626 . 1 1 171 171 VAL CB C 13 34.470 0.000 . 1 . . . . 166 V CB . 17953 1 1627 . 1 1 171 171 VAL CG1 C 13 21.813 0.000 . 2 . . . . 166 V CG1 . 17953 1 1628 . 1 1 171 171 VAL CG2 C 13 21.837 0.000 . 2 . . . . 166 V CG2 . 17953 1 1629 . 1 1 171 171 VAL N N 15 118.019 0.000 . 1 . . . . 166 V N . 17953 1 1630 . 1 1 172 172 TYR H H 1 8.030 0.000 . 1 . . . . 167 Y H . 17953 1 1631 . 1 1 172 172 TYR HA H 1 4.544 0.000 . 1 . . . . 167 Y HA . 17953 1 1632 . 1 1 172 172 TYR HB2 H 1 3.731 0.000 . 2 . . . . 167 Y HB2 . 17953 1 1633 . 1 1 172 172 TYR HB3 H 1 3.172 0.000 . 2 . . . . 167 Y HB3 . 17953 1 1634 . 1 1 172 172 TYR HD1 H 1 6.775 0.000 . 3 . . . . 167 Y QD . 17953 1 1635 . 1 1 172 172 TYR HD2 H 1 6.775 0.000 . 3 . . . . 167 Y QD . 17953 1 1636 . 1 1 172 172 TYR HE1 H 1 6.962 0.000 . 3 . . . . 167 Y QE . 17953 1 1637 . 1 1 172 172 TYR HE2 H 1 6.962 0.000 . 3 . . . . 167 Y QE . 17953 1 1638 . 1 1 172 172 TYR C C 13 171.798 0.000 . 1 . . . . 167 Y C . 17953 1 1639 . 1 1 172 172 TYR CA C 13 56.800 0.000 . 1 . . . . 167 Y CA . 17953 1 1640 . 1 1 172 172 TYR CB C 13 39.239 0.000 . 1 . . . . 167 Y CB . 17953 1 1641 . 1 1 172 172 TYR CD1 C 13 133.437 0.000 . 3 . . . . 167 Y CD1 . 17953 1 1642 . 1 1 172 172 TYR CE1 C 13 117.633 0.000 . 3 . . . . 167 Y CE1 . 17953 1 1643 . 1 1 172 172 TYR N N 15 120.215 0.000 . 1 . . . . 167 Y N . 17953 1 1644 . 1 1 173 173 TYR H H 1 9.046 0.000 . 1 . . . . 168 Y H . 17953 1 1645 . 1 1 173 173 TYR HA H 1 5.658 0.000 . 1 . . . . 168 Y HA . 17953 1 1646 . 1 1 173 173 TYR HB2 H 1 3.001 0.000 . 2 . . . . 168 Y HB2 . 17953 1 1647 . 1 1 173 173 TYR HB3 H 1 2.410 0.000 . 2 . . . . 168 Y HB3 . 17953 1 1648 . 1 1 173 173 TYR HD1 H 1 6.775 0.000 . 3 . . . . 168 Y QD . 17953 1 1649 . 1 1 173 173 TYR HD2 H 1 6.775 0.000 . 3 . . . . 168 Y QD . 17953 1 1650 . 1 1 173 173 TYR HE1 H 1 6.492 0.000 . 3 . . . . 168 Y QE . 17953 1 1651 . 1 1 173 173 TYR HE2 H 1 6.492 0.000 . 3 . . . . 168 Y QE . 17953 1 1652 . 1 1 173 173 TYR C C 13 174.342 0.000 . 1 . . . . 168 Y C . 17953 1 1653 . 1 1 173 173 TYR CA C 13 55.971 0.000 . 1 . . . . 168 Y CA . 17953 1 1654 . 1 1 173 173 TYR CB C 13 42.094 0.000 . 1 . . . . 168 Y CB . 17953 1 1655 . 1 1 173 173 TYR CD1 C 13 133.394 0.000 . 3 . . . . 168 Y CD1 . 17953 1 1656 . 1 1 173 173 TYR CE1 C 13 117.899 0.000 . 3 . . . . 168 Y CE1 . 17953 1 1657 . 1 1 173 173 TYR N N 15 113.970 0.000 . 1 . . . . 168 Y N . 17953 1 1658 . 1 1 174 174 CYS H H 1 8.743 0.000 . 1 . . . . 169 C H . 17953 1 1659 . 1 1 174 174 CYS HA H 1 4.549 0.000 . 1 . . . . 169 C HA . 17953 1 1660 . 1 1 174 174 CYS HB2 H 1 2.362 0.000 . 2 . . . . 169 C HB2 . 17953 1 1661 . 1 1 174 174 CYS HB3 H 1 2.957 0.000 . 2 . . . . 169 C HB3 . 17953 1 1662 . 1 1 174 174 CYS C C 13 173.117 0.000 . 1 . . . . 169 C C . 17953 1 1663 . 1 1 174 174 CYS CA C 13 56.117 0.000 . 1 . . . . 169 C CA . 17953 1 1664 . 1 1 174 174 CYS CB C 13 31.521 0.000 . 1 . . . . 169 C CB . 17953 1 1665 . 1 1 174 174 CYS N N 15 119.141 0.000 . 1 . . . . 169 C N . 17953 1 1666 . 1 1 175 175 ALA H H 1 8.563 0.000 . 1 . . . . 170 A H . 17953 1 1667 . 1 1 175 175 ALA HA H 1 5.645 0.000 . 1 . . . . 170 A HA . 17953 1 1668 . 1 1 175 175 ALA HB1 H 1 0.616 0.000 . . . . . . 170 A QB . 17953 1 1669 . 1 1 175 175 ALA HB2 H 1 0.616 0.000 . . . . . . 170 A QB . 17953 1 1670 . 1 1 175 175 ALA HB3 H 1 0.616 0.000 . . . . . . 170 A QB . 17953 1 1671 . 1 1 175 175 ALA C C 13 178.221 0.000 . 1 . . . . 170 A C . 17953 1 1672 . 1 1 175 175 ALA CA C 13 50.605 0.000 . 1 . . . . 170 A CA . 17953 1 1673 . 1 1 175 175 ALA CB C 13 22.012 0.000 . 1 . . . . 170 A CB . 17953 1 1674 . 1 1 175 175 ALA N N 15 121.994 0.000 . 1 . . . . 170 A N . 17953 1 1675 . 1 1 176 176 GLY H H 1 9.112 0.000 . 1 . . . . 171 G H . 17953 1 1676 . 1 1 176 176 GLY HA2 H 1 5.129 0.000 . 2 . . . . 171 G HA2 . 17953 1 1677 . 1 1 176 176 GLY HA3 H 1 5.414 0.000 . 2 . . . . 171 G HA3 . 17953 1 1678 . 1 1 176 176 GLY C C 13 173.031 0.000 . 1 . . . . 171 G C . 17953 1 1679 . 1 1 176 176 GLY CA C 13 46.599 0.000 . 1 . . . . 171 G CA . 17953 1 1680 . 1 1 176 176 GLY N N 15 110.048 0.000 . 1 . . . . 171 G N . 17953 1 1681 . 1 1 177 177 TYR H H 1 7.874 0.000 . 1 . . . . 172 Y H . 17953 1 1682 . 1 1 177 177 TYR HA H 1 4.538 0.000 . 1 . . . . 172 Y HA . 17953 1 1683 . 1 1 177 177 TYR HB2 H 1 3.447 0.000 . 2 . . . . 172 Y HB2 . 17953 1 1684 . 1 1 177 177 TYR HB3 H 1 3.095 0.000 . 2 . . . . 172 Y HB3 . 17953 1 1685 . 1 1 177 177 TYR HD1 H 1 7.302 0.000 . 3 . . . . 172 Y QD . 17953 1 1686 . 1 1 177 177 TYR HD2 H 1 7.302 0.000 . 3 . . . . 172 Y QD . 17953 1 1687 . 1 1 177 177 TYR C C 13 174.617 0.000 . 1 . . . . 172 Y C . 17953 1 1688 . 1 1 177 177 TYR CA C 13 60.161 0.000 . 1 . . . . 172 Y CA . 17953 1 1689 . 1 1 177 177 TYR CB C 13 40.455 0.000 . 1 . . . . 172 Y CB . 17953 1 1690 . 1 1 177 177 TYR CD1 C 13 133.796 0.000 . 3 . . . . 172 Y CD1 . 17953 1 1691 . 1 1 177 177 TYR CE1 C 13 117.941 0.000 . 3 . . . . 172 Y CE1 . 17953 1 1692 . 1 1 177 177 TYR N N 15 120.960 0.000 . 1 . . . . 172 Y N . 17953 1 1693 . 1 1 178 178 ASP H H 1 7.737 0.000 . 1 . . . . 173 D H . 17953 1 1694 . 1 1 178 178 ASP HA H 1 5.340 0.000 . 1 . . . . 173 D HA . 17953 1 1695 . 1 1 178 178 ASP CA C 13 53.392 0.000 . 1 . . . . 173 D CA . 17953 1 1696 . 1 1 178 178 ASP CB C 13 45.240 0.000 . 1 . . . . 173 D CB . 17953 1 1697 . 1 1 178 178 ASP N N 15 116.778 0.000 . 1 . . . . 173 D N . 17953 1 1698 . 1 1 179 179 PRO CD C 13 50.510 0.000 . 1 . . . . 174 P CD . 17953 1 1699 . 1 1 183 183 PRO HA H 1 4.258 0.000 . 1 . . . . 178 P HA . 17953 1 1700 . 1 1 183 183 PRO HB2 H 1 2.073 0.000 . 2 . . . . 178 P HB2 . 17953 1 1701 . 1 1 183 183 PRO HB3 H 1 1.470 0.000 . 2 . . . . 178 P HB3 . 17953 1 1702 . 1 1 183 183 PRO HG2 H 1 1.918 0.000 . 2 . . . . 178 P HG2 . 17953 1 1703 . 1 1 183 183 PRO HG3 H 1 1.756 0.000 . 2 . . . . 178 P HG3 . 17953 1 1704 . 1 1 183 183 PRO HD2 H 1 3.868 0.000 . 2 . . . . 178 P HD2 . 17953 1 1705 . 1 1 183 183 PRO HD3 H 1 3.427 0.000 . 2 . . . . 178 P HD3 . 17953 1 1706 . 1 1 183 183 PRO C C 13 175.924 0.000 . 1 . . . . 178 P C . 17953 1 1707 . 1 1 183 183 PRO CA C 13 64.032 0.000 . 1 . . . . 178 P CA . 17953 1 1708 . 1 1 183 183 PRO CB C 13 32.437 0.000 . 1 . . . . 178 P CB . 17953 1 1709 . 1 1 183 183 PRO CG C 13 27.058 0.000 . 1 . . . . 178 P CG . 17953 1 1710 . 1 1 183 183 PRO CD C 13 51.177 0.000 . 1 . . . . 178 P CD . 17953 1 1711 . 1 1 184 184 TYR H H 1 6.778 0.000 . 1 . . . . 179 Y H . 17953 1 1712 . 1 1 184 184 TYR HA H 1 4.804 0.000 . 1 . . . . 179 Y HA . 17953 1 1713 . 1 1 184 184 TYR HB2 H 1 2.766 0.000 . 2 . . . . 179 Y HB2 . 17953 1 1714 . 1 1 184 184 TYR HB3 H 1 2.983 0.000 . 2 . . . . 179 Y HB3 . 17953 1 1715 . 1 1 184 184 TYR CA C 13 55.056 0.000 . 1 . . . . 179 Y CA . 17953 1 1716 . 1 1 184 184 TYR CB C 13 40.794 0.000 . 1 . . . . 179 Y CB . 17953 1 1717 . 1 1 184 184 TYR CD1 C 13 133.632 0.000 . 3 . . . . 179 Y CD1 . 17953 1 1718 . 1 1 184 184 TYR CE1 C 13 118.976 0.000 . 3 . . . . 179 Y CE1 . 17953 1 1719 . 1 1 184 184 TYR N N 15 115.266 0.000 . 1 . . . . 179 Y N . 17953 1 1720 . 1 1 186 186 ARG HA H 1 4.050 0.000 . 1 . . . . 181 R HA . 17953 1 1721 . 1 1 186 186 ARG C C 13 176.557 0.000 . 1 . . . . 181 R C . 17953 1 1722 . 1 1 186 186 ARG CA C 13 60.247 0.000 . 1 . . . . 181 R CA . 17953 1 1723 . 1 1 187 187 ARG H H 1 9.522 0.000 . 1 . . . . 182 R H . 17953 1 1724 . 1 1 187 187 ARG HA H 1 3.820 0.000 . 1 . . . . 182 R HA . 17953 1 1725 . 1 1 187 187 ARG C C 13 173.171 0.000 . 1 . . . . 182 R C . 17953 1 1726 . 1 1 187 187 ARG CA C 13 56.668 0.000 . 1 . . . . 182 R CA . 17953 1 1727 . 1 1 187 187 ARG CB C 13 34.512 0.000 . 1 . . . . 182 R CB . 17953 1 1728 . 1 1 187 187 ARG N N 15 121.946 0.000 . 1 . . . . 182 R N . 17953 1 1729 . 1 1 188 188 ASN H H 1 8.557 0.000 . 1 . . . . 183 N H . 17953 1 1730 . 1 1 188 188 ASN HA H 1 5.524 0.000 . 1 . . . . 183 N HA . 17953 1 1731 . 1 1 188 188 ASN HB2 H 1 1.932 0.000 . 2 . . . . 183 N HB2 . 17953 1 1732 . 1 1 188 188 ASN HB3 H 1 0.593 0.000 . 2 . . . . 183 N HB3 . 17953 1 1733 . 1 1 188 188 ASN HD21 H 1 7.751 0.000 . 2 . . . . 183 N HD21 . 17953 1 1734 . 1 1 188 188 ASN HD22 H 1 5.752 0.000 . 2 . . . . 183 N HD22 . 17953 1 1735 . 1 1 188 188 ASN C C 13 173.317 0.000 . 1 . . . . 183 N C . 17953 1 1736 . 1 1 188 188 ASN CA C 13 50.780 0.000 . 1 . . . . 183 N CA . 17953 1 1737 . 1 1 188 188 ASN CB C 13 42.160 0.000 . 1 . . . . 183 N CB . 17953 1 1738 . 1 1 188 188 ASN N N 15 121.930 0.000 . 1 . . . . 183 N N . 17953 1 1739 . 1 1 188 188 ASN ND2 N 15 121.419 0.000 . 1 . . . . 183 N ND2 . 17953 1 1740 . 1 1 189 189 GLU H H 1 9.063 0.000 . 1 . . . . 184 E H . 17953 1 1741 . 1 1 189 189 GLU HA H 1 6.006 0.000 . 1 . . . . 184 E HA . 17953 1 1742 . 1 1 189 189 GLU HB2 H 1 2.320 0.000 . 2 . . . . 184 E HB2 . 17953 1 1743 . 1 1 189 189 GLU HB3 H 1 2.233 0.000 . 2 . . . . 184 E HB3 . 17953 1 1744 . 1 1 189 189 GLU HG2 H 1 2.500 0.000 . 2 . . . . 184 E QG . 17953 1 1745 . 1 1 189 189 GLU HG3 H 1 2.500 0.000 . 2 . . . . 184 E QG . 17953 1 1746 . 1 1 189 189 GLU C C 13 176.356 0.000 . 1 . . . . 184 E C . 17953 1 1747 . 1 1 189 189 GLU CA C 13 54.481 0.000 . 1 . . . . 184 E CA . 17953 1 1748 . 1 1 189 189 GLU CB C 13 35.817 0.000 . 1 . . . . 184 E CB . 17953 1 1749 . 1 1 189 189 GLU CG C 13 35.447 0.000 . 1 . . . . 184 E CG . 17953 1 1750 . 1 1 189 189 GLU N N 15 117.833 0.000 . 1 . . . . 184 E N . 17953 1 1751 . 1 1 190 190 VAL H H 1 8.189 0.000 . 1 . . . . 185 V H . 17953 1 1752 . 1 1 190 190 VAL HA H 1 4.863 0.000 . 1 . . . . 185 V HA . 17953 1 1753 . 1 1 190 190 VAL HB H 1 1.952 0.000 . 1 . . . . 185 V HB . 17953 1 1754 . 1 1 190 190 VAL HG11 H 1 1.358 0.000 . . . . . . 185 V QG1 . 17953 1 1755 . 1 1 190 190 VAL HG12 H 1 1.358 0.000 . . . . . . 185 V QG1 . 17953 1 1756 . 1 1 190 190 VAL HG13 H 1 1.358 0.000 . . . . . . 185 V QG1 . 17953 1 1757 . 1 1 190 190 VAL HG21 H 1 1.229 0.000 . . . . . . 185 V QG2 . 17953 1 1758 . 1 1 190 190 VAL HG22 H 1 1.229 0.000 . . . . . . 185 V QG2 . 17953 1 1759 . 1 1 190 190 VAL HG23 H 1 1.229 0.000 . . . . . . 185 V QG2 . 17953 1 1760 . 1 1 190 190 VAL C C 13 173.628 0.000 . 1 . . . . 185 V C . 17953 1 1761 . 1 1 190 190 VAL CA C 13 61.692 0.000 . 1 . . . . 185 V CA . 17953 1 1762 . 1 1 190 190 VAL CB C 13 35.754 0.000 . 1 . . . . 185 V CB . 17953 1 1763 . 1 1 190 190 VAL CG1 C 13 22.297 0.000 . 2 . . . . 185 V CG1 . 17953 1 1764 . 1 1 190 190 VAL CG2 C 13 22.062 0.000 . 2 . . . . 185 V CG2 . 17953 1 1765 . 1 1 190 190 VAL N N 15 116.293 0.000 . 1 . . . . 185 V N . 17953 1 1766 . 1 1 191 191 TRP H H 1 9.730 0.000 . 1 . . . . 186 W H . 17953 1 1767 . 1 1 191 191 TRP HA H 1 5.855 0.000 . 1 . . . . 186 W HA . 17953 1 1768 . 1 1 191 191 TRP HB2 H 1 3.593 0.000 . 2 . . . . 186 W HB2 . 17953 1 1769 . 1 1 191 191 TRP HB3 H 1 2.663 0.000 . 2 . . . . 186 W HB3 . 17953 1 1770 . 1 1 191 191 TRP HD1 H 1 7.011 0.000 . 1 . . . . 186 W HD1 . 17953 1 1771 . 1 1 191 191 TRP HE1 H 1 10.611 0.000 . 1 . . . . 186 W HE1 . 17953 1 1772 . 1 1 191 191 TRP HE3 H 1 6.802 0.000 . 1 . . . . 186 W HE3 . 17953 1 1773 . 1 1 191 191 TRP HZ2 H 1 6.700 0.000 . 1 . . . . 186 W HZ2 . 17953 1 1774 . 1 1 191 191 TRP HZ3 H 1 6.189 0.000 . 1 . . . . 186 W HZ3 . 17953 1 1775 . 1 1 191 191 TRP HH2 H 1 5.743 0.000 . 1 . . . . 186 W HH2 . 17953 1 1776 . 1 1 191 191 TRP C C 13 176.264 0.000 . 1 . . . . 186 W C . 17953 1 1777 . 1 1 191 191 TRP CA C 13 52.334 0.000 . 1 . . . . 186 W CA . 17953 1 1778 . 1 1 191 191 TRP CB C 13 31.811 0.000 . 1 . . . . 186 W CB . 17953 1 1779 . 1 1 191 191 TRP CD1 C 13 122.681 0.000 . 1 . . . . 186 W CD1 . 17953 1 1780 . 1 1 191 191 TRP CE3 C 13 119.552 0.000 . 1 . . . . 186 W CE3 . 17953 1 1781 . 1 1 191 191 TRP CZ2 C 13 112.374 0.000 . 1 . . . . 186 W CZ2 . 17953 1 1782 . 1 1 191 191 TRP CZ3 C 13 120.449 0.000 . 1 . . . . 186 W CZ3 . 17953 1 1783 . 1 1 191 191 TRP CH2 C 13 123.033 0.000 . 1 . . . . 186 W CH2 . 17953 1 1784 . 1 1 191 191 TRP N N 15 125.344 0.000 . 1 . . . . 186 W N . 17953 1 1785 . 1 1 191 191 TRP NE1 N 15 129.287 0.000 . 1 . . . . 186 W NE1 . 17953 1 1786 . 1 1 192 192 LEU H H 1 9.046 0.000 . 1 . . . . 187 L H . 17953 1 1787 . 1 1 192 192 LEU HA H 1 5.092 0.000 . 1 . . . . 187 L HA . 17953 1 1788 . 1 1 192 192 LEU HB2 H 1 1.504 0.000 . 2 . . . . 187 L QB . 17953 1 1789 . 1 1 192 192 LEU HB3 H 1 1.504 0.000 . 2 . . . . 187 L QB . 17953 1 1790 . 1 1 192 192 LEU HG H 1 1.280 0.000 . 1 . . . . 187 L HG . 17953 1 1791 . 1 1 192 192 LEU HD11 H 1 0.446 0.000 . . . . . . 187 L QD1 . 17953 1 1792 . 1 1 192 192 LEU HD12 H 1 0.446 0.000 . . . . . . 187 L QD1 . 17953 1 1793 . 1 1 192 192 LEU HD13 H 1 0.446 0.000 . . . . . . 187 L QD1 . 17953 1 1794 . 1 1 192 192 LEU HD21 H 1 -0.045 0.000 . . . . . . 187 L QD2 . 17953 1 1795 . 1 1 192 192 LEU HD22 H 1 -0.045 0.000 . . . . . . 187 L QD2 . 17953 1 1796 . 1 1 192 192 LEU HD23 H 1 -0.045 0.000 . . . . . . 187 L QD2 . 17953 1 1797 . 1 1 192 192 LEU C C 13 177.143 0.000 . 1 . . . . 187 L C . 17953 1 1798 . 1 1 192 192 LEU CA C 13 53.567 0.000 . 1 . . . . 187 L CA . 17953 1 1799 . 1 1 192 192 LEU CB C 13 42.913 0.000 . 1 . . . . 187 L CB . 17953 1 1800 . 1 1 192 192 LEU CD1 C 13 25.769 0.000 . 2 . . . . 187 L CD1 . 17953 1 1801 . 1 1 192 192 LEU CD2 C 13 21.782 0.000 . 2 . . . . 187 L CD2 . 17953 1 1802 . 1 1 192 192 LEU N N 15 122.789 0.000 . 1 . . . . 187 L N . 17953 1 1803 . 1 1 193 193 VAL H H 1 10.201 0.000 . 1 . . . . 188 V H . 17953 1 1804 . 1 1 193 193 VAL HA H 1 4.116 0.000 . 1 . . . . 188 V HA . 17953 1 1805 . 1 1 193 193 VAL HB H 1 2.115 0.000 . 1 . . . . 188 V HB . 17953 1 1806 . 1 1 193 193 VAL HG11 H 1 1.160 0.000 . . . . . . 188 V QG1 . 17953 1 1807 . 1 1 193 193 VAL HG12 H 1 1.160 0.000 . . . . . . 188 V QG1 . 17953 1 1808 . 1 1 193 193 VAL HG13 H 1 1.160 0.000 . . . . . . 188 V QG1 . 17953 1 1809 . 1 1 193 193 VAL C C 13 175.404 0.000 . 1 . . . . 188 V C . 17953 1 1810 . 1 1 193 193 VAL CA C 13 63.011 0.000 . 1 . . . . 188 V CA . 17953 1 1811 . 1 1 193 193 VAL CB C 13 33.052 0.000 . 1 . . . . 188 V CB . 17953 1 1812 . 1 1 193 193 VAL CG1 C 13 21.802 0.000 . 2 . . . . 188 V CG1 . 17953 1 1813 . 1 1 193 193 VAL CG2 C 13 23.160 0.000 . 2 . . . . 188 V CG2 . 17953 1 1814 . 1 1 193 193 VAL N N 15 125.362 0.000 . 1 . . . . 188 V N . 17953 1 1815 . 1 1 194 194 LYS H H 1 8.670 0.000 . 1 . . . . 189 K H . 17953 1 1816 . 1 1 194 194 LYS HA H 1 4.555 0.000 . 1 . . . . 189 K HA . 17953 1 1817 . 1 1 194 194 LYS HB2 H 1 2.290 0.000 . 2 . . . . 189 K QB . 17953 1 1818 . 1 1 194 194 LYS HB3 H 1 2.290 0.000 . 2 . . . . 189 K QB . 17953 1 1819 . 1 1 194 194 LYS HG2 H 1 1.540 0.000 . 2 . . . . 189 K QG . 17953 1 1820 . 1 1 194 194 LYS HG3 H 1 1.540 0.000 . 2 . . . . 189 K QG . 17953 1 1821 . 1 1 194 194 LYS HD2 H 1 1.615 0.000 . 2 . . . . 189 K QD . 17953 1 1822 . 1 1 194 194 LYS HD3 H 1 1.615 0.000 . 2 . . . . 189 K QD . 17953 1 1823 . 1 1 194 194 LYS HE2 H 1 2.984 0.000 . 2 . . . . 189 K QE . 17953 1 1824 . 1 1 194 194 LYS HE3 H 1 2.984 0.000 . 2 . . . . 189 K QE . 17953 1 1825 . 1 1 194 194 LYS C C 13 175.385 0.000 . 1 . . . . 189 K C . 17953 1 1826 . 1 1 194 194 LYS CA C 13 57.935 0.000 . 1 . . . . 189 K CA . 17953 1 1827 . 1 1 194 194 LYS CB C 13 33.963 0.000 . 1 . . . . 189 K CB . 17953 1 1828 . 1 1 194 194 LYS N N 15 130.296 0.000 . 1 . . . . 189 K N . 17953 1 1829 . 1 1 195 195 ALA H H 1 7.886 0.000 . 1 . . . . 190 A H . 17953 1 1830 . 1 1 195 195 ALA HA H 1 4.246 0.000 . 1 . . . . 190 A HA . 17953 1 1831 . 1 1 195 195 ALA HB1 H 1 1.169 0.000 . 1 . . . . 190 A HB . 17953 1 1832 . 1 1 195 195 ALA HB2 H 1 1.169 0.000 . 1 . . . . 190 A HB . 17953 1 1833 . 1 1 195 195 ALA HB3 H 1 1.169 0.000 . 1 . . . . 190 A HB . 17953 1 1834 . 1 1 195 195 ALA CA C 13 53.365 0.000 . 1 . . . . 190 A CA . 17953 1 1835 . 1 1 195 195 ALA CB C 13 20.807 0.000 . 1 . . . . 190 A CB . 17953 1 1836 . 1 1 195 195 ALA N N 15 135.573 0.000 . 1 . . . . 190 A N . 17953 1 stop_ save_