data_17799 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17799 _Entry.Title ; NMR structure of the protein YP_001302112.1 from Parabacteroides distasonis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-07-22 _Entry.Accession_date 2011-07-22 _Entry.Last_release_date 2011-08-25 _Entry.Original_release_date 2011-08-25 _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 NMR' _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 Pedro Serrano . . . 17799 2 Biswaranjan Mohanty . . . 17799 3 Michael Geralt . . . 17799 4 Kurt Wuthrich . . . 17799 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 . 'PSI, Protein Structure Initiative' 'Joint Center for Structural Genomics' . 17799 . PSI:Biology 'Joint Center for Structural Genomics' . 17799 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'APSY spectroscopy' . 17799 'Parabacteroides distasonis' . 17799 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17799 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 488 17799 '15N chemical shifts' 124 17799 '1H chemical shifts' 784 17799 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-25 2011-07-22 original author . 17799 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17806 YP_001302112.1 17799 PDB 2LG7 'BMRB Entry Tracking System' 17799 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17799 _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 'NMR structure of the protein YP_001302112.1 from Parabacteroides distasonis' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _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 Pedro Serrano . . . 17799 1 2 Biswaranjan Mohanty . . . 17799 1 3 Michael Geralt . . . 17799 1 4 Kurt Wuthrich . . . 17799 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17799 _Assembly.ID 1 _Assembly.Name YP_001302112.1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 YP_001302112 1 $YP_001302112 A . yes native no no . . . 17799 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YP_001302112 _Entity.Sf_category entity _Entity.Sf_framecode YP_001302112 _Entity.Entry_ID 17799 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; MRKYLYLSAVCVCMALCFVG CSKDDDEPGGKGAMYEVTIE QSGDFRSFIKSVVVVANGTQ LKDGATGESLASPVILSDEE LAVEKVTLSTTGKAIEFAVS GGVVDGEDGVVNEPMQWVVT VYKNGKEIEKKSLVFRDGKE ISTDDLNLYYNVVDGEDGVV NEPMQWVVTVYKNGKEIEKK SLVFRDGKEISTDDLNLYYN ; _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 200 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13807.372 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17806 . entity . . . . . 64.50 129 100.00 100.00 2.21e-83 . . . . 17799 1 2 no PDB 2LG7 . "Nmr Structure Of The Protein Yp_001302112.1 From Parabacteroides Distasonis" . . . . . 64.00 129 100.00 100.00 1.71e-82 . . . . 17799 1 3 no PDB 2LGE . "Nmr Structure Of The Calcium-Bound Form Of The Protein Yp_001302112.1 From Parabacteroides Distasonis" . . . . . 64.00 129 100.00 100.00 1.71e-82 . . . . 17799 1 4 no EMBL CUP04873 . "Uncharacterised protein [Bacteroides vulgatus]" . . . . . 75.50 151 100.00 100.00 3.75e-102 . . . . 17799 1 5 no EMBL CUP86285 . "Uncharacterised protein [Parabacteroides merdae]" . . . . . 75.50 151 100.00 100.00 3.75e-102 . . . . 17799 1 6 no EMBL CUQ25107 . "Uncharacterised protein [Bacteroides thetaiotaomicron]" . . . . . 75.50 151 100.00 100.00 3.75e-102 . . . . 17799 1 7 no GB AAO45318 . "hypothetical protein BT_p548220 [Bacteroides thetaiotaomicron VPI-5482]" . . . . . 75.50 151 100.00 100.00 3.75e-102 . . . . 17799 1 8 no GB ABR42490 . "conserved hypothetical protein [Parabacteroides distasonis ATCC 8503]" . . . . . 75.50 151 100.00 100.00 3.75e-102 . . . . 17799 1 9 no GB EFG18115 . "conserved hypothetical protein [Bacteroides vulgatus PC510]" . . . . . 75.50 151 99.34 100.00 2.01e-101 . . . . 17799 1 10 no GB EFK63750 . "hypothetical protein HMPREF9008_04638 [Parabacteroides sp. 20_3]" . . . . . 75.50 151 100.00 100.00 3.75e-102 . . . . 17799 1 11 no GB EIY16653 . "hypothetical protein HMPREF1063_05125 [Bacteroides dorei CL02T00C15]" . . . . . 75.50 151 100.00 100.00 3.75e-102 . . . . 17799 1 12 no REF NP_818973 . "hypothetical protein BT_p548220 [Bacteroides thetaiotaomicron VPI-5482]" . . . . . 75.50 151 100.00 100.00 3.75e-102 . . . . 17799 1 13 no REF WP_005842168 . "peptide chain release factor 2 [Bacteroides vulgatus]" . . . . . 75.50 151 99.34 100.00 2.01e-101 . . . . 17799 1 14 no REF WP_007659490 . "MULTISPECIES: peptide chain release factor 2 [Bacteroidales]" . . . . . 75.50 151 100.00 100.00 3.75e-102 . . . . 17799 1 15 no REF WP_032583709 . "peptide chain release factor 2, partial [Bacteroides fragilis]" . . . . . 71.50 143 99.30 100.00 5.47e-95 . . . . 17799 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 -21 MET . 17799 1 2 -20 ARG . 17799 1 3 -19 LYS . 17799 1 4 -18 TYR . 17799 1 5 -17 LEU . 17799 1 6 -16 TYR . 17799 1 7 -15 LEU . 17799 1 8 -14 SER . 17799 1 9 -13 ALA . 17799 1 10 -12 VAL . 17799 1 11 -11 CYS . 17799 1 12 -10 VAL . 17799 1 13 -9 CYS . 17799 1 14 -8 MET . 17799 1 15 -7 ALA . 17799 1 16 -6 LEU . 17799 1 17 -5 CYS . 17799 1 18 -4 PHE . 17799 1 19 -3 VAL . 17799 1 20 -2 GLY . 17799 1 21 -1 CYS . 17799 1 22 0 SER . 17799 1 23 1 LYS . 17799 1 24 2 ASP . 17799 1 25 3 ASP . 17799 1 26 4 ASP . 17799 1 27 5 GLU . 17799 1 28 6 PRO . 17799 1 29 7 GLY . 17799 1 30 8 GLY . 17799 1 31 9 LYS . 17799 1 32 10 GLY . 17799 1 33 11 ALA . 17799 1 34 12 MET . 17799 1 35 13 TYR . 17799 1 36 14 GLU . 17799 1 37 15 VAL . 17799 1 38 16 THR . 17799 1 39 17 ILE . 17799 1 40 18 GLU . 17799 1 41 19 GLN . 17799 1 42 20 SER . 17799 1 43 21 GLY . 17799 1 44 22 ASP . 17799 1 45 23 PHE . 17799 1 46 24 ARG . 17799 1 47 25 SER . 17799 1 48 26 PHE . 17799 1 49 27 ILE . 17799 1 50 28 LYS . 17799 1 51 29 SER . 17799 1 52 30 VAL . 17799 1 53 31 VAL . 17799 1 54 32 VAL . 17799 1 55 33 VAL . 17799 1 56 34 ALA . 17799 1 57 35 ASN . 17799 1 58 36 GLY . 17799 1 59 37 THR . 17799 1 60 38 GLN . 17799 1 61 39 LEU . 17799 1 62 40 LYS . 17799 1 63 41 ASP . 17799 1 64 42 GLY . 17799 1 65 43 ALA . 17799 1 66 44 THR . 17799 1 67 45 GLY . 17799 1 68 46 GLU . 17799 1 69 47 SER . 17799 1 70 48 LEU . 17799 1 71 49 ALA . 17799 1 72 50 SER . 17799 1 73 51 PRO . 17799 1 74 52 VAL . 17799 1 75 53 ILE . 17799 1 76 54 LEU . 17799 1 77 55 SER . 17799 1 78 56 ASP . 17799 1 79 57 GLU . 17799 1 80 58 GLU . 17799 1 81 59 LEU . 17799 1 82 60 ALA . 17799 1 83 61 VAL . 17799 1 84 62 GLU . 17799 1 85 63 LYS . 17799 1 86 64 VAL . 17799 1 87 65 THR . 17799 1 88 66 LEU . 17799 1 89 67 SER . 17799 1 90 68 THR . 17799 1 91 69 THR . 17799 1 92 70 GLY . 17799 1 93 71 LYS . 17799 1 94 72 ALA . 17799 1 95 73 ILE . 17799 1 96 74 GLU . 17799 1 97 75 PHE . 17799 1 98 76 ALA . 17799 1 99 77 VAL . 17799 1 100 78 SER . 17799 1 101 79 GLY . 17799 1 102 80 GLY . 17799 1 103 81 VAL . 17799 1 104 82 VAL . 17799 1 105 83 ASP . 17799 1 106 84 GLY . 17799 1 107 85 GLU . 17799 1 108 86 ASP . 17799 1 109 87 GLY . 17799 1 110 88 VAL . 17799 1 111 89 VAL . 17799 1 112 90 ASN . 17799 1 113 91 GLU . 17799 1 114 92 PRO . 17799 1 115 93 MET . 17799 1 116 94 GLN . 17799 1 117 95 TRP . 17799 1 118 96 VAL . 17799 1 119 97 VAL . 17799 1 120 98 THR . 17799 1 121 99 VAL . 17799 1 122 100 TYR . 17799 1 123 101 LYS . 17799 1 124 102 ASN . 17799 1 125 103 GLY . 17799 1 126 104 LYS . 17799 1 127 105 GLU . 17799 1 128 106 ILE . 17799 1 129 107 GLU . 17799 1 130 108 LYS . 17799 1 131 109 LYS . 17799 1 132 110 SER . 17799 1 133 111 LEU . 17799 1 134 112 VAL . 17799 1 135 113 PHE . 17799 1 136 114 ARG . 17799 1 137 115 ASP . 17799 1 138 116 GLY . 17799 1 139 117 LYS . 17799 1 140 118 GLU . 17799 1 141 119 ILE . 17799 1 142 120 SER . 17799 1 143 121 THR . 17799 1 144 122 ASP . 17799 1 145 123 ASP . 17799 1 146 124 LEU . 17799 1 147 125 ASN . 17799 1 148 126 LEU . 17799 1 149 127 TYR . 17799 1 150 128 TYR . 17799 1 151 129 ASN . 17799 1 152 130 VAL . 17799 1 153 131 VAL . 17799 1 154 132 ASP . 17799 1 155 133 GLY . 17799 1 156 134 GLU . 17799 1 157 135 ASP . 17799 1 158 136 GLY . 17799 1 159 137 VAL . 17799 1 160 138 VAL . 17799 1 161 139 ASN . 17799 1 162 140 GLU . 17799 1 163 141 PRO . 17799 1 164 142 MET . 17799 1 165 143 GLN . 17799 1 166 144 TRP . 17799 1 167 145 VAL . 17799 1 168 146 VAL . 17799 1 169 147 THR . 17799 1 170 148 VAL . 17799 1 171 149 TYR . 17799 1 172 150 LYS . 17799 1 173 151 ASN . 17799 1 174 152 GLY . 17799 1 175 153 LYS . 17799 1 176 154 GLU . 17799 1 177 155 ILE . 17799 1 178 156 GLU . 17799 1 179 157 LYS . 17799 1 180 158 LYS . 17799 1 181 159 SER . 17799 1 182 160 LEU . 17799 1 183 161 VAL . 17799 1 184 162 PHE . 17799 1 185 163 ARG . 17799 1 186 164 ASP . 17799 1 187 165 GLY . 17799 1 188 166 LYS . 17799 1 189 167 GLU . 17799 1 190 168 ILE . 17799 1 191 169 SER . 17799 1 192 170 THR . 17799 1 193 171 ASP . 17799 1 194 172 ASP . 17799 1 195 173 LEU . 17799 1 196 174 ASN . 17799 1 197 175 LEU . 17799 1 198 176 TYR . 17799 1 199 177 TYR . 17799 1 200 178 ASN . 17799 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 17799 1 . ARG 2 2 17799 1 . LYS 3 3 17799 1 . TYR 4 4 17799 1 . LEU 5 5 17799 1 . TYR 6 6 17799 1 . LEU 7 7 17799 1 . SER 8 8 17799 1 . ALA 9 9 17799 1 . VAL 10 10 17799 1 . CYS 11 11 17799 1 . VAL 12 12 17799 1 . CYS 13 13 17799 1 . MET 14 14 17799 1 . ALA 15 15 17799 1 . LEU 16 16 17799 1 . CYS 17 17 17799 1 . PHE 18 18 17799 1 . VAL 19 19 17799 1 . GLY 20 20 17799 1 . CYS 21 21 17799 1 . SER 22 22 17799 1 . LYS 23 23 17799 1 . ASP 24 24 17799 1 . ASP 25 25 17799 1 . ASP 26 26 17799 1 . GLU 27 27 17799 1 . PRO 28 28 17799 1 . GLY 29 29 17799 1 . GLY 30 30 17799 1 . LYS 31 31 17799 1 . GLY 32 32 17799 1 . ALA 33 33 17799 1 . MET 34 34 17799 1 . TYR 35 35 17799 1 . GLU 36 36 17799 1 . VAL 37 37 17799 1 . THR 38 38 17799 1 . ILE 39 39 17799 1 . GLU 40 40 17799 1 . GLN 41 41 17799 1 . SER 42 42 17799 1 . GLY 43 43 17799 1 . ASP 44 44 17799 1 . PHE 45 45 17799 1 . ARG 46 46 17799 1 . SER 47 47 17799 1 . PHE 48 48 17799 1 . ILE 49 49 17799 1 . LYS 50 50 17799 1 . SER 51 51 17799 1 . VAL 52 52 17799 1 . VAL 53 53 17799 1 . VAL 54 54 17799 1 . VAL 55 55 17799 1 . ALA 56 56 17799 1 . ASN 57 57 17799 1 . GLY 58 58 17799 1 . THR 59 59 17799 1 . GLN 60 60 17799 1 . LEU 61 61 17799 1 . LYS 62 62 17799 1 . ASP 63 63 17799 1 . GLY 64 64 17799 1 . ALA 65 65 17799 1 . THR 66 66 17799 1 . GLY 67 67 17799 1 . GLU 68 68 17799 1 . SER 69 69 17799 1 . LEU 70 70 17799 1 . ALA 71 71 17799 1 . SER 72 72 17799 1 . PRO 73 73 17799 1 . VAL 74 74 17799 1 . ILE 75 75 17799 1 . LEU 76 76 17799 1 . SER 77 77 17799 1 . ASP 78 78 17799 1 . GLU 79 79 17799 1 . GLU 80 80 17799 1 . LEU 81 81 17799 1 . ALA 82 82 17799 1 . VAL 83 83 17799 1 . GLU 84 84 17799 1 . LYS 85 85 17799 1 . VAL 86 86 17799 1 . THR 87 87 17799 1 . LEU 88 88 17799 1 . SER 89 89 17799 1 . THR 90 90 17799 1 . THR 91 91 17799 1 . GLY 92 92 17799 1 . LYS 93 93 17799 1 . ALA 94 94 17799 1 . ILE 95 95 17799 1 . GLU 96 96 17799 1 . PHE 97 97 17799 1 . ALA 98 98 17799 1 . VAL 99 99 17799 1 . SER 100 100 17799 1 . GLY 101 101 17799 1 . GLY 102 102 17799 1 . VAL 103 103 17799 1 . VAL 104 104 17799 1 . ASP 105 105 17799 1 . GLY 106 106 17799 1 . GLU 107 107 17799 1 . ASP 108 108 17799 1 . GLY 109 109 17799 1 . VAL 110 110 17799 1 . VAL 111 111 17799 1 . ASN 112 112 17799 1 . GLU 113 113 17799 1 . PRO 114 114 17799 1 . MET 115 115 17799 1 . GLN 116 116 17799 1 . TRP 117 117 17799 1 . VAL 118 118 17799 1 . VAL 119 119 17799 1 . THR 120 120 17799 1 . VAL 121 121 17799 1 . TYR 122 122 17799 1 . LYS 123 123 17799 1 . ASN 124 124 17799 1 . GLY 125 125 17799 1 . LYS 126 126 17799 1 . GLU 127 127 17799 1 . ILE 128 128 17799 1 . GLU 129 129 17799 1 . LYS 130 130 17799 1 . LYS 131 131 17799 1 . SER 132 132 17799 1 . LEU 133 133 17799 1 . VAL 134 134 17799 1 . PHE 135 135 17799 1 . ARG 136 136 17799 1 . ASP 137 137 17799 1 . GLY 138 138 17799 1 . LYS 139 139 17799 1 . GLU 140 140 17799 1 . ILE 141 141 17799 1 . SER 142 142 17799 1 . THR 143 143 17799 1 . ASP 144 144 17799 1 . ASP 145 145 17799 1 . LEU 146 146 17799 1 . ASN 147 147 17799 1 . LEU 148 148 17799 1 . TYR 149 149 17799 1 . TYR 150 150 17799 1 . ASN 151 151 17799 1 . VAL 152 152 17799 1 . VAL 153 153 17799 1 . ASP 154 154 17799 1 . GLY 155 155 17799 1 . GLU 156 156 17799 1 . ASP 157 157 17799 1 . GLY 158 158 17799 1 . VAL 159 159 17799 1 . VAL 160 160 17799 1 . ASN 161 161 17799 1 . GLU 162 162 17799 1 . PRO 163 163 17799 1 . MET 164 164 17799 1 . GLN 165 165 17799 1 . TRP 166 166 17799 1 . VAL 167 167 17799 1 . VAL 168 168 17799 1 . THR 169 169 17799 1 . VAL 170 170 17799 1 . TYR 171 171 17799 1 . LYS 172 172 17799 1 . ASN 173 173 17799 1 . GLY 174 174 17799 1 . LYS 175 175 17799 1 . GLU 176 176 17799 1 . ILE 177 177 17799 1 . GLU 178 178 17799 1 . LYS 179 179 17799 1 . LYS 180 180 17799 1 . SER 181 181 17799 1 . LEU 182 182 17799 1 . VAL 183 183 17799 1 . PHE 184 184 17799 1 . ARG 185 185 17799 1 . ASP 186 186 17799 1 . GLY 187 187 17799 1 . LYS 188 188 17799 1 . GLU 189 189 17799 1 . ILE 190 190 17799 1 . SER 191 191 17799 1 . THR 192 192 17799 1 . ASP 193 193 17799 1 . ASP 194 194 17799 1 . LEU 195 195 17799 1 . ASN 196 196 17799 1 . LEU 197 197 17799 1 . TYR 198 198 17799 1 . TYR 199 199 17799 1 . ASN 200 200 17799 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 17799 _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 $YP_001302112 . 823 organism . 'Parabacteroides distasonis' 'Parabacteroides distasonis' . . Bacteria Parabacteroides Parabacteroides distasonis . . . . . . . . . . . . . . . . . . . . . 17799 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 17799 _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 $YP_001302112 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . . . . . . . . . . . pSpeedET . . . . . . 17799 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17799 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 YP_001302112 '[U-98% 13C; U-98% 15N]' . . 1 $YP_001302112 . . 1.2 . . mM . . . . 17799 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17799 1 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 17799 1 4 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 17799 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17799 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17799 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 17799 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.18 . M 17799 1 pH 6.0 . pH 17799 1 pressure 1 . atm 17799 1 temperature 298 . K 17799 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17799 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'G ntert P.' . . 17799 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17799 1 'structure solution' 17799 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17799 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17799 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17799 2 'data analysis' 17799 2 processing 17799 2 stop_ save_ save_OPAL _Software.Sf_category software _Software.Sf_framecode OPAL _Software.Entry_ID 17799 _Software.ID 3 _Software.Name OPAL _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 17799 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17799 3 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 17799 _Software.ID 4 _Software.Name UNIO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Unio Herrmann Wuthrich' . . 17799 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17799 4 'peak picking' 17799 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17799 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17799 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17799 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 Spectrometer_1 Bruker Avance . 600 . . . 17799 1 2 Spectrometer_2 Bruker Avance . 800 . . . 17799 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 17799 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17799 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17799 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17799 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17799 1 5 '5D APSY CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17799 1 6 '4D APSY HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17799 1 7 '5D APSY HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17799 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17799 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 n/a indirect 0.251449530 . . . . . . . . . 17799 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17799 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 n/a indirect 0.101329118 . . . . . . . . . 17799 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17799 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17799 1 2 '3D 1H-13C NOESY aliphatic' . . . 17799 1 3 '3D 1H-13C NOESY aromatic' . . . 17799 1 4 '3D 1H-15N NOESY' . . . 17799 1 5 '5D APSY CBCACONH' . . . 17799 1 6 '4D APSY HACANH' . . . 17799 1 7 '5D APSY HACACONH' . . . 17799 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 23 23 LYS HB2 H 1 3.814 0.025 . 2 . . . A 1 LYS HB2 . 17799 1 2 . 1 1 23 23 LYS HB3 H 1 3.814 0.025 . 2 . . . A 1 LYS HB3 . 17799 1 3 . 1 1 23 23 LYS C C 13 167.901 0.16 . 1 . . . A 1 LYS C . 17799 1 4 . 1 1 23 23 LYS CA C 13 40.731 0.16 . 1 . . . A 1 LYS CA . 17799 1 5 . 1 1 24 24 ASP H H 1 8.661 0.025 . 1 . . . A 2 ASP H . 17799 1 6 . 1 1 24 24 ASP HA H 1 4.506 0.025 . 1 . . . A 2 ASP HA . 17799 1 7 . 1 1 24 24 ASP HB2 H 1 3.806 0.025 . 2 . . . A 2 ASP HB2 . 17799 1 8 . 1 1 24 24 ASP C C 13 173.484 0.16 . 1 . . . A 2 ASP C . 17799 1 9 . 1 1 24 24 ASP CA C 13 52.589 0.16 . 1 . . . A 2 ASP CA . 17799 1 10 . 1 1 24 24 ASP CB C 13 38.351 0.16 . 1 . . . A 2 ASP CB . 17799 1 11 . 1 1 24 24 ASP N N 15 120.668 0.12 . 1 . . . A 2 ASP N . 17799 1 12 . 1 1 25 25 ASP H H 1 8.430 0.025 . 1 . . . A 3 ASP H . 17799 1 13 . 1 1 25 25 ASP HA H 1 4.524 0.025 . 1 . . . A 3 ASP HA . 17799 1 14 . 1 1 25 25 ASP HB2 H 1 2.515 0.025 . 2 . . . A 3 ASP HB2 . 17799 1 15 . 1 1 25 25 ASP HB3 H 1 2.515 0.025 . 2 . . . A 3 ASP HB3 . 17799 1 16 . 1 1 25 25 ASP C C 13 173.175 0.16 . 1 . . . A 3 ASP C . 17799 1 17 . 1 1 25 25 ASP CA C 13 51.688 0.16 . 1 . . . A 3 ASP CA . 17799 1 18 . 1 1 25 25 ASP CB C 13 38.154 0.16 . 1 . . . A 3 ASP CB . 17799 1 19 . 1 1 25 25 ASP N N 15 118.932 0.12 . 1 . . . A 3 ASP N . 17799 1 20 . 1 1 26 26 ASP H H 1 7.995 0.025 . 1 . . . A 4 ASP H . 17799 1 21 . 1 1 26 26 ASP HA H 1 4.505 0.025 . 1 . . . A 4 ASP HA . 17799 1 22 . 1 1 26 26 ASP HB2 H 1 2.550 0.025 . 2 . . . A 4 ASP HB2 . 17799 1 23 . 1 1 26 26 ASP HB3 H 1 2.586 0.025 . 2 . . . A 4 ASP HB3 . 17799 1 24 . 1 1 26 26 ASP CA C 13 52.277 0.16 . 1 . . . A 4 ASP CA . 17799 1 25 . 1 1 26 26 ASP CB C 13 38.606 0.16 . 1 . . . A 4 ASP CB . 17799 1 26 . 1 1 26 26 ASP N N 15 119.579 0.12 . 1 . . . A 4 ASP N . 17799 1 27 . 1 1 27 27 GLU H H 1 8.111 0.025 . 1 . . . A 5 GLU H . 17799 1 28 . 1 1 27 27 GLU HA H 1 4.505 0.025 . 1 . . . A 5 GLU HA . 17799 1 29 . 1 1 27 27 GLU HB2 H 1 1.941 0.025 . 2 . . . A 5 GLU HB2 . 17799 1 30 . 1 1 27 27 GLU HB3 H 1 1.843 0.025 . 2 . . . A 5 GLU HB3 . 17799 1 31 . 1 1 27 27 GLU HG2 H 1 2.192 0.025 . 2 . . . A 5 GLU HG2 . 17799 1 32 . 1 1 27 27 GLU HG3 H 1 2.192 0.025 . 2 . . . A 5 GLU HG3 . 17799 1 33 . 1 1 27 27 GLU CA C 13 51.629 0.16 . 1 . . . A 5 GLU CA . 17799 1 34 . 1 1 27 27 GLU CB C 13 27.189 0.16 . 1 . . . A 5 GLU CB . 17799 1 35 . 1 1 27 27 GLU CG C 13 33.194 0.16 . 1 . . . A 5 GLU CG . 17799 1 36 . 1 1 27 27 GLU N N 15 121.980 0.12 . 1 . . . A 5 GLU N . 17799 1 37 . 1 1 28 28 PRO HA H 1 4.334 0.025 . 1 . . . A 6 PRO HA . 17799 1 38 . 1 1 28 28 PRO HB2 H 1 2.232 0.025 . 2 . . . A 6 PRO HB2 . 17799 1 39 . 1 1 28 28 PRO HB3 H 1 1.874 0.025 . 2 . . . A 6 PRO HB3 . 17799 1 40 . 1 1 28 28 PRO HG2 H 1 2.204 0.025 . 2 . . . A 6 PRO HG2 . 17799 1 41 . 1 1 28 28 PRO HG3 H 1 2.204 0.025 . 2 . . . A 6 PRO HG3 . 17799 1 42 . 1 1 28 28 PRO HD2 H 1 3.638 0.025 . 2 . . . A 6 PRO HD2 . 17799 1 43 . 1 1 28 28 PRO HD3 H 1 3.768 0.025 . 2 . . . A 6 PRO HD3 . 17799 1 44 . 1 1 28 28 PRO C C 13 174.360 0.16 . 1 . . . A 6 PRO C . 17799 1 45 . 1 1 28 28 PRO CA C 13 61.142 0.16 . 1 . . . A 6 PRO CA . 17799 1 46 . 1 1 28 28 PRO CB C 13 29.400 0.16 . 1 . . . A 6 PRO CB . 17799 1 47 . 1 1 28 28 PRO CG C 13 27.295 0.16 . 1 . . . A 6 PRO CG . 17799 1 48 . 1 1 28 28 PRO CD C 13 47.570 0.16 . 1 . . . A 6 PRO CD . 17799 1 49 . 1 1 29 29 GLY H H 1 8.544 0.025 . 1 . . . A 7 GLY H . 17799 1 50 . 1 1 29 29 GLY HA2 H 1 4.727 0.025 . 2 . . . A 7 GLY HA2 . 17799 1 51 . 1 1 29 29 GLY HA3 H 1 3.885 0.025 . 2 . . . A 7 GLY HA3 . 17799 1 52 . 1 1 29 29 GLY CA C 13 43.015 0.16 . 1 . . . A 7 GLY CA . 17799 1 53 . 1 1 29 29 GLY N N 15 109.596 0.12 . 1 . . . A 7 GLY N . 17799 1 54 . 1 1 30 30 GLY H H 1 8.144 0.025 . 1 . . . A 8 GLY H . 17799 1 55 . 1 1 30 30 GLY HA2 H 1 3.921 0.025 . 2 . . . A 8 GLY HA2 . 17799 1 56 . 1 1 30 30 GLY HA3 H 1 4.727 0.025 . 2 . . . A 8 GLY HA3 . 17799 1 57 . 1 1 30 30 GLY CA C 13 42.723 0.16 . 1 . . . A 8 GLY CA . 17799 1 58 . 1 1 30 30 GLY N N 15 108.523 0.12 . 1 . . . A 8 GLY N . 17799 1 59 . 1 1 31 31 LYS H H 1 8.092 0.025 . 1 . . . A 9 LYS H . 17799 1 60 . 1 1 31 31 LYS HA H 1 4.315 0.025 . 1 . . . A 9 LYS HA . 17799 1 61 . 1 1 31 31 LYS HB2 H 1 1.778 0.025 . 2 . . . A 9 LYS HB2 . 17799 1 62 . 1 1 31 31 LYS HB3 H 1 1.636 0.025 . 2 . . . A 9 LYS HB3 . 17799 1 63 . 1 1 31 31 LYS HG2 H 1 1.332 0.025 . 2 . . . A 9 LYS HG2 . 17799 1 64 . 1 1 31 31 LYS HG3 H 1 1.395 0.025 . 2 . . . A 9 LYS HG3 . 17799 1 65 . 1 1 31 31 LYS HD2 H 1 1.706 0.025 . 2 . . . A 9 LYS HD2 . 17799 1 66 . 1 1 31 31 LYS HD3 H 1 1.613 0.025 . 2 . . . A 9 LYS HD3 . 17799 1 67 . 1 1 31 31 LYS CA C 13 53.180 0.16 . 1 . . . A 9 LYS CA . 17799 1 68 . 1 1 31 31 LYS CB C 13 31.071 0.16 . 1 . . . A 9 LYS CB . 17799 1 69 . 1 1 31 31 LYS CG C 13 22.349 0.16 . 1 . . . A 9 LYS CG . 17799 1 70 . 1 1 31 31 LYS CD C 13 26.361 0.16 . 1 . . . A 9 LYS CD . 17799 1 71 . 1 1 31 31 LYS N N 15 119.925 0.12 . 1 . . . A 9 LYS N . 17799 1 72 . 1 1 32 32 GLY H H 1 8.335 0.025 . 1 . . . A 10 GLY H . 17799 1 73 . 1 1 32 32 GLY HA2 H 1 4.003 0.025 . 2 . . . A 10 GLY HA2 . 17799 1 74 . 1 1 32 32 GLY HA3 H 1 3.762 0.025 . 2 . . . A 10 GLY HA3 . 17799 1 75 . 1 1 32 32 GLY C C 13 170.161 0.16 . 1 . . . A 10 GLY C . 17799 1 76 . 1 1 32 32 GLY CA C 13 41.887 0.16 . 1 . . . A 10 GLY CA . 17799 1 77 . 1 1 32 32 GLY N N 15 107.433 0.12 . 1 . . . A 10 GLY N . 17799 1 78 . 1 1 33 33 ALA H H 1 8.188 0.025 . 1 . . . A 11 ALA H . 17799 1 79 . 1 1 33 33 ALA HA H 1 4.516 0.025 . 1 . . . A 11 ALA HA . 17799 1 80 . 1 1 33 33 ALA HB1 H 1 0.907 0.025 . 1 . . . A 11 ALA HB1 . 17799 1 81 . 1 1 33 33 ALA HB2 H 1 0.907 0.025 . 1 . . . A 11 ALA HB2 . 17799 1 82 . 1 1 33 33 ALA HB3 H 1 0.907 0.025 . 1 . . . A 11 ALA HB3 . 17799 1 83 . 1 1 33 33 ALA C C 13 172.107 0.16 . 1 . . . A 11 ALA C . 17799 1 84 . 1 1 33 33 ALA CA C 13 48.211 0.16 . 1 . . . A 11 ALA CA . 17799 1 85 . 1 1 33 33 ALA CB C 13 20.443 0.16 . 1 . . . A 11 ALA CB . 17799 1 86 . 1 1 33 33 ALA N N 15 121.013 0.12 . 1 . . . A 11 ALA N . 17799 1 87 . 1 1 34 34 MET H H 1 7.721 0.025 . 1 . . . A 12 MET H . 17799 1 88 . 1 1 34 34 MET HA H 1 4.420 0.025 . 1 . . . A 12 MET HA . 17799 1 89 . 1 1 34 34 MET HB2 H 1 1.920 0.025 . 2 . . . A 12 MET HB2 . 17799 1 90 . 1 1 34 34 MET HB3 H 1 1.718 0.025 . 2 . . . A 12 MET HB3 . 17799 1 91 . 1 1 34 34 MET HG2 H 1 2.394 0.025 . 2 . . . A 12 MET HG2 . 17799 1 92 . 1 1 34 34 MET HG3 H 1 2.162 0.025 . 2 . . . A 12 MET HG3 . 17799 1 93 . 1 1 34 34 MET HE1 H 1 1.807 0.025 . 1 . . . A 12 MET HE1 . 17799 1 94 . 1 1 34 34 MET HE2 H 1 1.807 0.025 . 1 . . . A 12 MET HE2 . 17799 1 95 . 1 1 34 34 MET HE3 H 1 1.807 0.025 . 1 . . . A 12 MET HE3 . 17799 1 96 . 1 1 34 34 MET C C 13 173.076 0.16 . 1 . . . A 12 MET C . 17799 1 97 . 1 1 34 34 MET CA C 13 51.300 0.16 . 1 . . . A 12 MET CA . 17799 1 98 . 1 1 34 34 MET CB C 13 29.727 0.16 . 1 . . . A 12 MET CB . 17799 1 99 . 1 1 34 34 MET CG C 13 29.626 0.16 . 1 . . . A 12 MET CG . 17799 1 100 . 1 1 34 34 MET CE C 13 14.340 0.16 . 1 . . . A 12 MET CE . 17799 1 101 . 1 1 34 34 MET N N 15 118.322 0.12 . 1 . . . A 12 MET N . 17799 1 102 . 1 1 35 35 TYR H H 1 8.089 0.025 . 1 . . . A 13 TYR H . 17799 1 103 . 1 1 35 35 TYR HA H 1 5.325 0.025 . 1 . . . A 13 TYR HA . 17799 1 104 . 1 1 35 35 TYR HB2 H 1 1.294 0.025 . 2 . . . A 13 TYR HB2 . 17799 1 105 . 1 1 35 35 TYR HB3 H 1 1.294 0.025 . 2 . . . A 13 TYR HB3 . 17799 1 106 . 1 1 35 35 TYR HD1 H 1 6.735 0.025 . 3 . . . A 13 TYR HD1 . 17799 1 107 . 1 1 35 35 TYR HD2 H 1 6.735 0.025 . 3 . . . A 13 TYR HD2 . 17799 1 108 . 1 1 35 35 TYR HE1 H 1 6.649 0.025 . 3 . . . A 13 TYR HE1 . 17799 1 109 . 1 1 35 35 TYR HE2 H 1 6.649 0.025 . 3 . . . A 13 TYR HE2 . 17799 1 110 . 1 1 35 35 TYR C C 13 172.542 0.16 . 1 . . . A 13 TYR C . 17799 1 111 . 1 1 35 35 TYR CA C 13 53.978 0.16 . 1 . . . A 13 TYR CA . 17799 1 112 . 1 1 35 35 TYR CB C 13 39.412 0.16 . 1 . . . A 13 TYR CB . 17799 1 113 . 1 1 35 35 TYR CD1 C 13 125.657 0.16 . 3 . . . A 13 TYR CD1 . 17799 1 114 . 1 1 35 35 TYR CD2 C 13 125.657 0.16 . 3 . . . A 13 TYR CD2 . 17799 1 115 . 1 1 35 35 TYR CE1 C 13 123.128 0.16 . 3 . . . A 13 TYR CE1 . 17799 1 116 . 1 1 35 35 TYR CE2 C 13 123.128 0.16 . 3 . . . A 13 TYR CE2 . 17799 1 117 . 1 1 35 35 TYR N N 15 118.776 0.12 . 1 . . . A 13 TYR N . 17799 1 118 . 1 1 36 36 GLU H H 1 8.483 0.025 . 1 . . . A 14 GLU H . 17799 1 119 . 1 1 36 36 GLU HA H 1 5.016 0.025 . 1 . . . A 14 GLU HA . 17799 1 120 . 1 1 36 36 GLU HB2 H 1 1.846 0.025 . 2 . . . A 14 GLU HB2 . 17799 1 121 . 1 1 36 36 GLU HB3 H 1 1.846 0.025 . 2 . . . A 14 GLU HB3 . 17799 1 122 . 1 1 36 36 GLU HG2 H 1 1.839 0.025 . 2 . . . A 14 GLU HG2 . 17799 1 123 . 1 1 36 36 GLU HG3 H 1 2.080 0.025 . 2 . . . A 14 GLU HG3 . 17799 1 124 . 1 1 36 36 GLU C C 13 170.553 0.16 . 1 . . . A 14 GLU C . 17799 1 125 . 1 1 36 36 GLU CA C 13 52.287 0.16 . 1 . . . A 14 GLU CA . 17799 1 126 . 1 1 36 36 GLU CB C 13 31.691 0.16 . 1 . . . A 14 GLU CB . 17799 1 127 . 1 1 36 36 GLU CG C 13 33.927 0.16 . 1 . . . A 14 GLU CG . 17799 1 128 . 1 1 36 36 GLU N N 15 121.267 0.12 . 1 . . . A 14 GLU N . 17799 1 129 . 1 1 37 37 VAL H H 1 9.443 0.025 . 1 . . . A 15 VAL H . 17799 1 130 . 1 1 37 37 VAL HA H 1 5.871 0.025 . 1 . . . A 15 VAL HA . 17799 1 131 . 1 1 37 37 VAL HB H 1 2.078 0.025 . 1 . . . A 15 VAL HB . 17799 1 132 . 1 1 37 37 VAL HG11 H 1 0.857 0.025 . 2 . . . A 15 VAL HG11 . 17799 1 133 . 1 1 37 37 VAL HG12 H 1 0.857 0.025 . 2 . . . A 15 VAL HG12 . 17799 1 134 . 1 1 37 37 VAL HG13 H 1 0.857 0.025 . 2 . . . A 15 VAL HG13 . 17799 1 135 . 1 1 37 37 VAL HG21 H 1 1.052 0.025 . 2 . . . A 15 VAL HG21 . 17799 1 136 . 1 1 37 37 VAL HG22 H 1 1.052 0.025 . 2 . . . A 15 VAL HG22 . 17799 1 137 . 1 1 37 37 VAL HG23 H 1 1.052 0.025 . 2 . . . A 15 VAL HG23 . 17799 1 138 . 1 1 37 37 VAL C C 13 169.552 0.16 . 1 . . . A 15 VAL C . 17799 1 139 . 1 1 37 37 VAL CA C 13 55.174 0.16 . 1 . . . A 15 VAL CA . 17799 1 140 . 1 1 37 37 VAL CB C 13 32.919 0.16 . 1 . . . A 15 VAL CB . 17799 1 141 . 1 1 37 37 VAL CG1 C 13 20.071 0.16 . 2 . . . A 15 VAL CG1 . 17799 1 142 . 1 1 37 37 VAL CG2 C 13 17.302 0.16 . 2 . . . A 15 VAL CG2 . 17799 1 143 . 1 1 37 37 VAL N N 15 123.336 0.12 . 1 . . . A 15 VAL N . 17799 1 144 . 1 1 38 38 THR H H 1 9.128 0.025 . 1 . . . A 16 THR H . 17799 1 145 . 1 1 38 38 THR HA H 1 5.394 0.025 . 1 . . . A 16 THR HA . 17799 1 146 . 1 1 38 38 THR HB H 1 3.924 0.025 . 1 . . . A 16 THR HB . 17799 1 147 . 1 1 38 38 THR HG21 H 1 1.173 0.025 . 1 . . . A 16 THR HG21 . 17799 1 148 . 1 1 38 38 THR HG22 H 1 1.173 0.025 . 1 . . . A 16 THR HG22 . 17799 1 149 . 1 1 38 38 THR HG23 H 1 1.173 0.025 . 1 . . . A 16 THR HG23 . 17799 1 150 . 1 1 38 38 THR C C 13 170.871 0.16 . 1 . . . A 16 THR C . 17799 1 151 . 1 1 38 38 THR CA C 13 56.593 0.16 . 1 . . . A 16 THR CA . 17799 1 152 . 1 1 38 38 THR CB C 13 68.987 0.16 . 1 . . . A 16 THR CB . 17799 1 153 . 1 1 38 38 THR CG2 C 13 19.333 0.16 . 1 . . . A 16 THR CG2 . 17799 1 154 . 1 1 38 38 THR N N 15 118.655 0.12 . 1 . . . A 16 THR N . 17799 1 155 . 1 1 39 39 ILE H H 1 9.044 0.025 . 1 . . . A 17 ILE H . 17799 1 156 . 1 1 39 39 ILE HA H 1 4.288 0.025 . 1 . . . A 17 ILE HA . 17799 1 157 . 1 1 39 39 ILE HB H 1 1.250 0.025 . 1 . . . A 17 ILE HB . 17799 1 158 . 1 1 39 39 ILE HG12 H 1 1.132 0.025 . 2 . . . A 17 ILE HG12 . 17799 1 159 . 1 1 39 39 ILE HG13 H 1 0.427 0.025 . 2 . . . A 17 ILE HG13 . 17799 1 160 . 1 1 39 39 ILE HG21 H 1 0.161 0.025 . 1 . . . A 17 ILE HG21 . 17799 1 161 . 1 1 39 39 ILE HG22 H 1 0.161 0.025 . 1 . . . A 17 ILE HG22 . 17799 1 162 . 1 1 39 39 ILE HG23 H 1 0.161 0.025 . 1 . . . A 17 ILE HG23 . 17799 1 163 . 1 1 39 39 ILE HD11 H 1 -0.283 0.025 . 1 . . . A 17 ILE HD11 . 17799 1 164 . 1 1 39 39 ILE HD12 H 1 -0.283 0.025 . 1 . . . A 17 ILE HD12 . 17799 1 165 . 1 1 39 39 ILE HD13 H 1 -0.283 0.025 . 1 . . . A 17 ILE HD13 . 17799 1 166 . 1 1 39 39 ILE C C 13 171.480 0.16 . 1 . . . A 17 ILE C . 17799 1 167 . 1 1 39 39 ILE CA C 13 58.207 0.16 . 1 . . . A 17 ILE CA . 17799 1 168 . 1 1 39 39 ILE CB C 13 37.554 0.16 . 1 . . . A 17 ILE CB . 17799 1 169 . 1 1 39 39 ILE CG1 C 13 25.113 0.16 . 1 . . . A 17 ILE CG1 . 17799 1 170 . 1 1 39 39 ILE CG2 C 13 11.416 0.16 . 1 . . . A 17 ILE CG2 . 17799 1 171 . 1 1 39 39 ILE CD1 C 13 13.179 0.16 . 1 . . . A 17 ILE CD1 . 17799 1 172 . 1 1 39 39 ILE N N 15 124.438 0.12 . 1 . . . A 17 ILE N . 17799 1 173 . 1 1 40 40 GLU H H 1 8.617 0.025 . 1 . . . A 18 GLU H . 17799 1 174 . 1 1 40 40 GLU HA H 1 4.949 0.025 . 1 . . . A 18 GLU HA . 17799 1 175 . 1 1 40 40 GLU HB2 H 1 1.908 0.025 . 2 . . . A 18 GLU HB2 . 17799 1 176 . 1 1 40 40 GLU HB3 H 1 2.046 0.025 . 2 . . . A 18 GLU HB3 . 17799 1 177 . 1 1 40 40 GLU HG2 H 1 1.996 0.025 . 2 . . . A 18 GLU HG2 . 17799 1 178 . 1 1 40 40 GLU HG3 H 1 2.038 0.025 . 2 . . . A 18 GLU HG3 . 17799 1 179 . 1 1 40 40 GLU C C 13 173.334 0.16 . 1 . . . A 18 GLU C . 17799 1 180 . 1 1 40 40 GLU CA C 13 51.894 0.16 . 1 . . . A 18 GLU CA . 17799 1 181 . 1 1 40 40 GLU CB C 13 29.964 0.16 . 1 . . . A 18 GLU CB . 17799 1 182 . 1 1 40 40 GLU CG C 13 35.081 0.16 . 1 . . . A 18 GLU CG . 17799 1 183 . 1 1 40 40 GLU N N 15 125.227 0.12 . 1 . . . A 18 GLU N . 17799 1 184 . 1 1 41 41 GLN H H 1 9.418 0.025 . 1 . . . A 19 GLN H . 17799 1 185 . 1 1 41 41 GLN HA H 1 5.499 0.025 . 1 . . . A 19 GLN HA . 17799 1 186 . 1 1 41 41 GLN HB2 H 1 0.756 0.025 . 2 . . . A 19 GLN HB2 . 17799 1 187 . 1 1 41 41 GLN HB3 H 1 1.289 0.025 . 2 . . . A 19 GLN HB3 . 17799 1 188 . 1 1 41 41 GLN HG2 H 1 1.588 0.025 . 2 . . . A 19 GLN HG2 . 17799 1 189 . 1 1 41 41 GLN HG3 H 1 1.588 0.025 . 2 . . . A 19 GLN HG3 . 17799 1 190 . 1 1 41 41 GLN HE21 H 1 6.798 0.025 . 2 . . . A 19 GLN HE21 . 17799 1 191 . 1 1 41 41 GLN HE22 H 1 7.094 0.025 . 2 . . . A 19 GLN HE22 . 17799 1 192 . 1 1 41 41 GLN C C 13 172.069 0.16 . 1 . . . A 19 GLN C . 17799 1 193 . 1 1 41 41 GLN CA C 13 51.557 0.16 . 1 . . . A 19 GLN CA . 17799 1 194 . 1 1 41 41 GLN CB C 13 30.008 0.16 . 1 . . . A 19 GLN CB . 17799 1 195 . 1 1 41 41 GLN CG C 13 32.724 0.16 . 1 . . . A 19 GLN CG . 17799 1 196 . 1 1 41 41 GLN N N 15 123.845 0.12 . 1 . . . A 19 GLN N . 17799 1 197 . 1 1 41 41 GLN NE2 N 15 112.193 0.12 . 1 . . . A 19 GLN NE2 . 17799 1 198 . 1 1 42 42 SER H H 1 9.025 0.025 . 1 . . . A 20 SER H . 17799 1 199 . 1 1 42 42 SER HA H 1 4.938 0.025 . 1 . . . A 20 SER HA . 17799 1 200 . 1 1 42 42 SER HB2 H 1 4.055 0.025 . 2 . . . A 20 SER HB2 . 17799 1 201 . 1 1 42 42 SER HB3 H 1 3.930 0.025 . 2 . . . A 20 SER HB3 . 17799 1 202 . 1 1 42 42 SER C C 13 172.342 0.16 . 1 . . . A 20 SER C . 17799 1 203 . 1 1 42 42 SER CA C 13 55.203 0.16 . 1 . . . A 20 SER CA . 17799 1 204 . 1 1 42 42 SER CB C 13 62.802 0.16 . 1 . . . A 20 SER CB . 17799 1 205 . 1 1 42 42 SER N N 15 114.592 0.12 . 1 . . . A 20 SER N . 17799 1 206 . 1 1 43 43 GLY H H 1 8.971 0.025 . 1 . . . A 21 GLY H . 17799 1 207 . 1 1 43 43 GLY HA2 H 1 3.947 0.025 . 2 . . . A 21 GLY HA2 . 17799 1 208 . 1 1 43 43 GLY HA3 H 1 3.947 0.025 . 2 . . . A 21 GLY HA3 . 17799 1 209 . 1 1 43 43 GLY CA C 13 42.907 0.16 . 1 . . . A 21 GLY CA . 17799 1 210 . 1 1 43 43 GLY N N 15 109.069 0.12 . 1 . . . A 21 GLY N . 17799 1 211 . 1 1 44 44 ASP H H 1 8.278 0.025 . 1 . . . A 22 ASP H . 17799 1 212 . 1 1 44 44 ASP HA H 1 4.963 0.025 . 1 . . . A 22 ASP HA . 17799 1 213 . 1 1 44 44 ASP HB2 H 1 2.463 0.025 . 2 . . . A 22 ASP HB2 . 17799 1 214 . 1 1 44 44 ASP HB3 H 1 3.117 0.025 . 2 . . . A 22 ASP HB3 . 17799 1 215 . 1 1 44 44 ASP CA C 13 51.108 0.16 . 1 . . . A 22 ASP CA . 17799 1 216 . 1 1 44 44 ASP CB C 13 36.441 0.16 . 1 . . . A 22 ASP CB . 17799 1 217 . 1 1 44 44 ASP N N 15 126.077 0.12 . 1 . . . A 22 ASP N . 17799 1 218 . 1 1 45 45 PHE H H 1 7.840 0.025 . 1 . . . A 23 PHE H . 17799 1 219 . 1 1 45 45 PHE HA H 1 4.979 0.025 . 1 . . . A 23 PHE HA . 17799 1 220 . 1 1 45 45 PHE HB2 H 1 2.758 0.025 . 2 . . . A 23 PHE HB2 . 17799 1 221 . 1 1 45 45 PHE HB3 H 1 2.758 0.025 . 2 . . . A 23 PHE HB3 . 17799 1 222 . 1 1 45 45 PHE HD1 H 1 6.907 0.025 . 3 . . . A 23 PHE HD1 . 17799 1 223 . 1 1 45 45 PHE HD2 H 1 6.907 0.025 . 3 . . . A 23 PHE HD2 . 17799 1 224 . 1 1 45 45 PHE HE1 H 1 7.238 0.025 . 3 . . . A 23 PHE HE1 . 17799 1 225 . 1 1 45 45 PHE HE2 H 1 7.238 0.025 . 3 . . . A 23 PHE HE2 . 17799 1 226 . 1 1 45 45 PHE CA C 13 57.200 0.16 . 1 . . . A 23 PHE CA . 17799 1 227 . 1 1 45 45 PHE CB C 13 36.444 0.16 . 1 . . . A 23 PHE CB . 17799 1 228 . 1 1 45 45 PHE CD1 C 13 127.929 0.16 . 3 . . . A 23 PHE CD1 . 17799 1 229 . 1 1 45 45 PHE CD2 C 13 127.929 0.16 . 3 . . . A 23 PHE CD2 . 17799 1 230 . 1 1 45 45 PHE CE1 C 13 127.878 0.16 . 3 . . . A 23 PHE CE1 . 17799 1 231 . 1 1 45 45 PHE CE2 C 13 127.878 0.16 . 3 . . . A 23 PHE CE2 . 17799 1 232 . 1 1 45 45 PHE N N 15 116.315 0.12 . 1 . . . A 23 PHE N . 17799 1 233 . 1 1 46 46 ARG H H 1 8.120 0.025 . 1 . . . A 24 ARG H . 17799 1 234 . 1 1 46 46 ARG HA H 1 3.953 0.025 . 1 . . . A 24 ARG HA . 17799 1 235 . 1 1 46 46 ARG HB2 H 1 1.751 0.025 . 2 . . . A 24 ARG HB2 . 17799 1 236 . 1 1 46 46 ARG HB3 H 1 1.222 0.025 . 2 . . . A 24 ARG HB3 . 17799 1 237 . 1 1 46 46 ARG HG2 H 1 0.916 0.025 . 2 . . . A 24 ARG HG2 . 17799 1 238 . 1 1 46 46 ARG HG3 H 1 1.489 0.025 . 2 . . . A 24 ARG HG3 . 17799 1 239 . 1 1 46 46 ARG HD2 H 1 2.885 0.025 . 2 . . . A 24 ARG HD2 . 17799 1 240 . 1 1 46 46 ARG HD3 H 1 3.079 0.025 . 2 . . . A 24 ARG HD3 . 17799 1 241 . 1 1 46 46 ARG C C 13 174.334 0.16 . 1 . . . A 24 ARG C . 17799 1 242 . 1 1 46 46 ARG CA C 13 55.659 0.16 . 1 . . . A 24 ARG CA . 17799 1 243 . 1 1 46 46 ARG CB C 13 26.310 0.16 . 1 . . . A 24 ARG CB . 17799 1 244 . 1 1 46 46 ARG CG C 13 26.572 0.16 . 1 . . . A 24 ARG CG . 17799 1 245 . 1 1 46 46 ARG CD C 13 40.396 0.16 . 1 . . . A 24 ARG CD . 17799 1 246 . 1 1 46 46 ARG N N 15 121.565 0.12 . 1 . . . A 24 ARG N . 17799 1 247 . 1 1 47 47 SER H H 1 7.457 0.025 . 1 . . . A 25 SER H . 17799 1 248 . 1 1 47 47 SER HA H 1 4.261 0.025 . 1 . . . A 25 SER HA . 17799 1 249 . 1 1 47 47 SER HB2 H 1 3.655 0.025 . 2 . . . A 25 SER HB2 . 17799 1 250 . 1 1 47 47 SER HB3 H 1 3.604 0.025 . 2 . . . A 25 SER HB3 . 17799 1 251 . 1 1 47 47 SER C C 13 169.972 0.16 . 1 . . . A 25 SER C . 17799 1 252 . 1 1 47 47 SER CA C 13 56.716 0.16 . 1 . . . A 25 SER CA . 17799 1 253 . 1 1 47 47 SER CB C 13 60.594 0.16 . 1 . . . A 25 SER CB . 17799 1 254 . 1 1 47 47 SER N N 15 113.660 0.12 . 1 . . . A 25 SER N . 17799 1 255 . 1 1 48 48 PHE H H 1 6.975 0.025 . 1 . . . A 26 PHE H . 17799 1 256 . 1 1 48 48 PHE HA H 1 4.405 0.025 . 1 . . . A 26 PHE HA . 17799 1 257 . 1 1 48 48 PHE HB2 H 1 2.534 0.025 . 2 . . . A 26 PHE HB2 . 17799 1 258 . 1 1 48 48 PHE HB3 H 1 2.653 0.025 . 2 . . . A 26 PHE HB3 . 17799 1 259 . 1 1 48 48 PHE HD1 H 1 6.967 0.025 . 3 . . . A 26 PHE HD1 . 17799 1 260 . 1 1 48 48 PHE HD2 H 1 6.967 0.025 . 3 . . . A 26 PHE HD2 . 17799 1 261 . 1 1 48 48 PHE HE1 H 1 7.032 0.025 . 3 . . . A 26 PHE HE1 . 17799 1 262 . 1 1 48 48 PHE HE2 H 1 7.032 0.025 . 3 . . . A 26 PHE HE2 . 17799 1 263 . 1 1 48 48 PHE C C 13 172.020 0.16 . 1 . . . A 26 PHE C . 17799 1 264 . 1 1 48 48 PHE CA C 13 54.316 0.16 . 1 . . . A 26 PHE CA . 17799 1 265 . 1 1 48 48 PHE CB C 13 39.395 0.16 . 1 . . . A 26 PHE CB . 17799 1 266 . 1 1 48 48 PHE CD1 C 13 128.120 0.16 . 3 . . . A 26 PHE CD1 . 17799 1 267 . 1 1 48 48 PHE CD2 C 13 128.120 0.16 . 3 . . . A 26 PHE CD2 . 17799 1 268 . 1 1 48 48 PHE CE1 C 13 128.082 0.16 . 3 . . . A 26 PHE CE1 . 17799 1 269 . 1 1 48 48 PHE CE2 C 13 128.080 0.16 . 3 . . . A 26 PHE CE2 . 17799 1 270 . 1 1 48 48 PHE N N 15 119.076 0.12 . 1 . . . A 26 PHE N . 17799 1 271 . 1 1 49 49 ILE H H 1 8.798 0.025 . 1 . . . A 27 ILE H . 17799 1 272 . 1 1 49 49 ILE HA H 1 5.051 0.025 . 1 . . . A 27 ILE HA . 17799 1 273 . 1 1 49 49 ILE HB H 1 1.748 0.025 . 1 . . . A 27 ILE HB . 17799 1 274 . 1 1 49 49 ILE HG12 H 1 1.408 0.025 . 2 . . . A 27 ILE HG12 . 17799 1 275 . 1 1 49 49 ILE HG13 H 1 1.058 0.025 . 2 . . . A 27 ILE HG13 . 17799 1 276 . 1 1 49 49 ILE HG21 H 1 0.753 0.025 . 1 . . . A 27 ILE HG21 . 17799 1 277 . 1 1 49 49 ILE HG22 H 1 0.753 0.025 . 1 . . . A 27 ILE HG22 . 17799 1 278 . 1 1 49 49 ILE HG23 H 1 0.753 0.025 . 1 . . . A 27 ILE HG23 . 17799 1 279 . 1 1 49 49 ILE HD11 H 1 0.789 0.025 . 1 . . . A 27 ILE HD11 . 17799 1 280 . 1 1 49 49 ILE HD12 H 1 0.789 0.025 . 1 . . . A 27 ILE HD12 . 17799 1 281 . 1 1 49 49 ILE HD13 H 1 0.789 0.025 . 1 . . . A 27 ILE HD13 . 17799 1 282 . 1 1 49 49 ILE C C 13 174.616 0.16 . 1 . . . A 27 ILE C . 17799 1 283 . 1 1 49 49 ILE CA C 13 57.838 0.16 . 1 . . . A 27 ILE CA . 17799 1 284 . 1 1 49 49 ILE CB C 13 34.659 0.16 . 1 . . . A 27 ILE CB . 17799 1 285 . 1 1 49 49 ILE CG1 C 13 24.724 0.16 . 1 . . . A 27 ILE CG1 . 17799 1 286 . 1 1 49 49 ILE CG2 C 13 10.403 0.16 . 1 . . . A 27 ILE CG2 . 17799 1 287 . 1 1 49 49 ILE CD1 C 13 14.611 0.16 . 1 . . . A 27 ILE CD1 . 17799 1 288 . 1 1 49 49 ILE N N 15 124.120 0.12 . 1 . . . A 27 ILE N . 17799 1 289 . 1 1 50 50 LYS H H 1 10.162 0.025 . 1 . . . A 28 LYS H . 17799 1 290 . 1 1 50 50 LYS HA H 1 4.843 0.025 . 1 . . . A 28 LYS HA . 17799 1 291 . 1 1 50 50 LYS HB3 H 1 1.637 0.025 . 2 . . . A 28 LYS HB3 . 17799 1 292 . 1 1 50 50 LYS HD2 H 1 1.979 0.025 . 2 . . . A 28 LYS HD2 . 17799 1 293 . 1 1 50 50 LYS HD3 H 1 1.979 0.025 . 2 . . . A 28 LYS HD3 . 17799 1 294 . 1 1 50 50 LYS C C 13 173.128 0.16 . 1 . . . A 28 LYS C . 17799 1 295 . 1 1 50 50 LYS CA C 13 52.972 0.16 . 1 . . . A 28 LYS CA . 17799 1 296 . 1 1 50 50 LYS CB C 13 31.563 0.16 . 1 . . . A 28 LYS CB . 17799 1 297 . 1 1 50 50 LYS CG C 13 25.047 0.16 . 1 . . . A 28 LYS CG . 17799 1 298 . 1 1 50 50 LYS CD C 13 31.720 0.16 . 1 . . . A 28 LYS CD . 17799 1 299 . 1 1 50 50 LYS N N 15 130.910 0.12 . 1 . . . A 28 LYS N . 17799 1 300 . 1 1 51 51 SER H H 1 8.304 0.025 . 1 . . . A 29 SER H . 17799 1 301 . 1 1 51 51 SER HA H 1 5.033 0.025 . 1 . . . A 29 SER HA . 17799 1 302 . 1 1 51 51 SER HB2 H 1 3.630 0.025 . 2 . . . A 29 SER HB2 . 17799 1 303 . 1 1 51 51 SER HB3 H 1 3.578 0.025 . 2 . . . A 29 SER HB3 . 17799 1 304 . 1 1 51 51 SER C C 13 170.705 0.16 . 1 . . . A 29 SER C . 17799 1 305 . 1 1 51 51 SER CA C 13 54.694 0.16 . 1 . . . A 29 SER CA . 17799 1 306 . 1 1 51 51 SER CB C 13 62.702 0.16 . 1 . . . A 29 SER CB . 17799 1 307 . 1 1 51 51 SER N N 15 113.735 0.12 . 1 . . . A 29 SER N . 17799 1 308 . 1 1 52 52 VAL H H 1 8.256 0.025 . 1 . . . A 30 VAL H . 17799 1 309 . 1 1 52 52 VAL HA H 1 4.843 0.025 . 1 . . . A 30 VAL HA . 17799 1 310 . 1 1 52 52 VAL HB H 1 1.579 0.025 . 1 . . . A 30 VAL HB . 17799 1 311 . 1 1 52 52 VAL HG11 H 1 0.451 0.025 . 2 . . . A 30 VAL HG11 . 17799 1 312 . 1 1 52 52 VAL HG12 H 1 0.451 0.025 . 2 . . . A 30 VAL HG12 . 17799 1 313 . 1 1 52 52 VAL HG13 H 1 0.451 0.025 . 2 . . . A 30 VAL HG13 . 17799 1 314 . 1 1 52 52 VAL HG21 H 1 0.491 0.025 . 2 . . . A 30 VAL HG21 . 17799 1 315 . 1 1 52 52 VAL HG22 H 1 0.491 0.025 . 2 . . . A 30 VAL HG22 . 17799 1 316 . 1 1 52 52 VAL HG23 H 1 0.491 0.025 . 2 . . . A 30 VAL HG23 . 17799 1 317 . 1 1 52 52 VAL C C 13 170.448 0.16 . 1 . . . A 30 VAL C . 17799 1 318 . 1 1 52 52 VAL CA C 13 58.578 0.16 . 1 . . . A 30 VAL CA . 17799 1 319 . 1 1 52 52 VAL CB C 13 34.024 0.16 . 1 . . . A 30 VAL CB . 17799 1 320 . 1 1 52 52 VAL CG1 C 13 21.100 0.16 . 2 . . . A 30 VAL CG1 . 17799 1 321 . 1 1 52 52 VAL CG2 C 13 18.703 0.16 . 2 . . . A 30 VAL CG2 . 17799 1 322 . 1 1 52 52 VAL N N 15 124.176 0.12 . 1 . . . A 30 VAL N . 17799 1 323 . 1 1 53 53 VAL H H 1 9.212 0.025 . 1 . . . A 31 VAL H . 17799 1 324 . 1 1 53 53 VAL HA H 1 4.941 0.025 . 1 . . . A 31 VAL HA . 17799 1 325 . 1 1 53 53 VAL HB H 1 1.779 0.025 . 1 . . . A 31 VAL HB . 17799 1 326 . 1 1 53 53 VAL HG11 H 1 0.652 0.025 . 2 . . . A 31 VAL HG11 . 17799 1 327 . 1 1 53 53 VAL HG12 H 1 0.652 0.025 . 2 . . . A 31 VAL HG12 . 17799 1 328 . 1 1 53 53 VAL HG13 H 1 0.652 0.025 . 2 . . . A 31 VAL HG13 . 17799 1 329 . 1 1 53 53 VAL HG21 H 1 0.782 0.025 . 2 . . . A 31 VAL HG21 . 17799 1 330 . 1 1 53 53 VAL HG22 H 1 0.782 0.025 . 2 . . . A 31 VAL HG22 . 17799 1 331 . 1 1 53 53 VAL HG23 H 1 0.782 0.025 . 2 . . . A 31 VAL HG23 . 17799 1 332 . 1 1 53 53 VAL C C 13 172.625 0.16 . 1 . . . A 31 VAL C . 17799 1 333 . 1 1 53 53 VAL CA C 13 58.195 0.16 . 1 . . . A 31 VAL CA . 17799 1 334 . 1 1 53 53 VAL CB C 13 31.450 0.16 . 1 . . . A 31 VAL CB . 17799 1 335 . 1 1 53 53 VAL CG1 C 13 18.586 0.16 . 2 . . . A 31 VAL CG1 . 17799 1 336 . 1 1 53 53 VAL CG2 C 13 18.586 0.16 . 2 . . . A 31 VAL CG2 . 17799 1 337 . 1 1 53 53 VAL N N 15 127.058 0.12 . 1 . . . A 31 VAL N . 17799 1 338 . 1 1 54 54 VAL H H 1 9.059 0.025 . 1 . . . A 32 VAL H . 17799 1 339 . 1 1 54 54 VAL HA H 1 4.627 0.025 . 1 . . . A 32 VAL HA . 17799 1 340 . 1 1 54 54 VAL HB H 1 1.658 0.025 . 1 . . . A 32 VAL HB . 17799 1 341 . 1 1 54 54 VAL HG11 H 1 0.652 0.025 . 2 . . . A 32 VAL HG11 . 17799 1 342 . 1 1 54 54 VAL HG12 H 1 0.652 0.025 . 2 . . . A 32 VAL HG12 . 17799 1 343 . 1 1 54 54 VAL HG13 H 1 0.652 0.025 . 2 . . . A 32 VAL HG13 . 17799 1 344 . 1 1 54 54 VAL HG21 H 1 0.545 0.025 . 2 . . . A 32 VAL HG21 . 17799 1 345 . 1 1 54 54 VAL HG22 H 1 0.545 0.025 . 2 . . . A 32 VAL HG22 . 17799 1 346 . 1 1 54 54 VAL HG23 H 1 0.545 0.025 . 2 . . . A 32 VAL HG23 . 17799 1 347 . 1 1 54 54 VAL C C 13 171.005 0.16 . 1 . . . A 32 VAL C . 17799 1 348 . 1 1 54 54 VAL CA C 13 58.237 0.16 . 1 . . . A 32 VAL CA . 17799 1 349 . 1 1 54 54 VAL CB C 13 31.301 0.16 . 1 . . . A 32 VAL CB . 17799 1 350 . 1 1 54 54 VAL CG1 C 13 18.645 0.16 . 2 . . . A 32 VAL CG1 . 17799 1 351 . 1 1 54 54 VAL CG2 C 13 20.106 0.16 . 2 . . . A 32 VAL CG2 . 17799 1 352 . 1 1 54 54 VAL N N 15 128.081 0.12 . 1 . . . A 32 VAL N . 17799 1 353 . 1 1 55 55 VAL H H 1 8.719 0.025 . 1 . . . A 33 VAL H . 17799 1 354 . 1 1 55 55 VAL HA H 1 4.123 0.025 . 1 . . . A 33 VAL HA . 17799 1 355 . 1 1 55 55 VAL HB H 1 1.649 0.025 . 1 . . . A 33 VAL HB . 17799 1 356 . 1 1 55 55 VAL HG11 H 1 0.678 0.025 . 2 . . . A 33 VAL HG11 . 17799 1 357 . 1 1 55 55 VAL HG12 H 1 0.678 0.025 . 2 . . . A 33 VAL HG12 . 17799 1 358 . 1 1 55 55 VAL HG13 H 1 0.678 0.025 . 2 . . . A 33 VAL HG13 . 17799 1 359 . 1 1 55 55 VAL C C 13 171.311 0.16 . 1 . . . A 33 VAL C . 17799 1 360 . 1 1 55 55 VAL CA C 13 57.797 0.16 . 1 . . . A 33 VAL CA . 17799 1 361 . 1 1 55 55 VAL CB C 13 32.468 0.16 . 1 . . . A 33 VAL CB . 17799 1 362 . 1 1 55 55 VAL CG1 C 13 18.645 0.16 . 2 . . . A 33 VAL CG1 . 17799 1 363 . 1 1 55 55 VAL N N 15 127.005 0.12 . 1 . . . A 33 VAL N . 17799 1 364 . 1 1 56 56 ALA H H 1 8.751 0.025 . 1 . . . A 34 ALA H . 17799 1 365 . 1 1 56 56 ALA HA H 1 5.047 0.025 . 1 . . . A 34 ALA HA . 17799 1 366 . 1 1 56 56 ALA HB1 H 1 1.226 0.025 . 1 . . . A 34 ALA HB1 . 17799 1 367 . 1 1 56 56 ALA HB2 H 1 1.226 0.025 . 1 . . . A 34 ALA HB2 . 17799 1 368 . 1 1 56 56 ALA HB3 H 1 1.226 0.025 . 1 . . . A 34 ALA HB3 . 17799 1 369 . 1 1 56 56 ALA C C 13 171.877 0.16 . 1 . . . A 34 ALA C . 17799 1 370 . 1 1 56 56 ALA CA C 13 47.183 0.16 . 1 . . . A 34 ALA CA . 17799 1 371 . 1 1 56 56 ALA CB C 13 19.382 0.16 . 1 . . . A 34 ALA CB . 17799 1 372 . 1 1 56 56 ALA N N 15 127.996 0.12 . 1 . . . A 34 ALA N . 17799 1 373 . 1 1 57 57 ASN H H 1 7.859 0.025 . 1 . . . A 35 ASN H . 17799 1 374 . 1 1 57 57 ASN HA H 1 4.728 0.025 . 1 . . . A 35 ASN HA . 17799 1 375 . 1 1 57 57 ASN HB2 H 1 2.870 0.025 . 2 . . . A 35 ASN HB2 . 17799 1 376 . 1 1 57 57 ASN HB3 H 1 2.701 0.025 . 2 . . . A 35 ASN HB3 . 17799 1 377 . 1 1 57 57 ASN HD21 H 1 6.836 0.025 . 2 . . . A 35 ASN HD21 . 17799 1 378 . 1 1 57 57 ASN HD22 H 1 8.122 0.025 . 2 . . . A 35 ASN HD22 . 17799 1 379 . 1 1 57 57 ASN C C 13 174.005 0.16 . 1 . . . A 35 ASN C . 17799 1 380 . 1 1 57 57 ASN CA C 13 50.947 0.16 . 1 . . . A 35 ASN CA . 17799 1 381 . 1 1 57 57 ASN CB C 13 36.625 0.16 . 1 . . . A 35 ASN CB . 17799 1 382 . 1 1 57 57 ASN N N 15 119.661 0.12 . 1 . . . A 35 ASN N . 17799 1 383 . 1 1 57 57 ASN ND2 N 15 111.908 0.12 . 1 . . . A 35 ASN ND2 . 17799 1 384 . 1 1 58 58 GLY H H 1 8.783 0.025 . 1 . . . A 36 GLY H . 17799 1 385 . 1 1 58 58 GLY HA2 H 1 4.504 0.025 . 2 . . . A 36 GLY HA2 . 17799 1 386 . 1 1 58 58 GLY HA3 H 1 3.724 0.025 . 2 . . . A 36 GLY HA3 . 17799 1 387 . 1 1 58 58 GLY C C 13 170.574 0.16 . 1 . . . A 36 GLY C . 17799 1 388 . 1 1 58 58 GLY CA C 13 42.370 0.16 . 1 . . . A 36 GLY CA . 17799 1 389 . 1 1 58 58 GLY N N 15 113.137 0.12 . 1 . . . A 36 GLY N . 17799 1 390 . 1 1 59 59 THR H H 1 7.563 0.025 . 1 . . . A 37 THR H . 17799 1 391 . 1 1 59 59 THR HA H 1 4.658 0.025 . 1 . . . A 37 THR HA . 17799 1 392 . 1 1 59 59 THR HB H 1 4.005 0.025 . 1 . . . A 37 THR HB . 17799 1 393 . 1 1 59 59 THR HG21 H 1 1.034 0.025 . 1 . . . A 37 THR HG21 . 17799 1 394 . 1 1 59 59 THR HG22 H 1 1.034 0.025 . 1 . . . A 37 THR HG22 . 17799 1 395 . 1 1 59 59 THR HG23 H 1 1.034 0.025 . 1 . . . A 37 THR HG23 . 17799 1 396 . 1 1 59 59 THR C C 13 169.726 0.16 . 1 . . . A 37 THR C . 17799 1 397 . 1 1 59 59 THR CA C 13 56.604 0.16 . 1 . . . A 37 THR CA . 17799 1 398 . 1 1 59 59 THR CB C 13 66.512 0.16 . 1 . . . A 37 THR CB . 17799 1 399 . 1 1 59 59 THR CG2 C 13 16.597 0.16 . 1 . . . A 37 THR CG2 . 17799 1 400 . 1 1 59 59 THR N N 15 114.010 0.12 . 1 . . . A 37 THR N . 17799 1 401 . 1 1 60 60 GLN H H 1 8.122 0.025 . 1 . . . A 38 GLN H . 17799 1 402 . 1 1 60 60 GLN HA H 1 4.744 0.025 . 1 . . . A 38 GLN HA . 17799 1 403 . 1 1 60 60 GLN HB2 H 1 2.097 0.025 . 2 . . . A 38 GLN HB2 . 17799 1 404 . 1 1 60 60 GLN HB3 H 1 2.097 0.025 . 2 . . . A 38 GLN HB3 . 17799 1 405 . 1 1 60 60 GLN HG2 H 1 2.302 0.025 . 2 . . . A 38 GLN HG2 . 17799 1 406 . 1 1 60 60 GLN HG3 H 1 2.220 0.025 . 2 . . . A 38 GLN HG3 . 17799 1 407 . 1 1 60 60 GLN HE21 H 1 7.179 0.025 . 2 . . . A 38 GLN HE21 . 17799 1 408 . 1 1 60 60 GLN HE22 H 1 6.718 0.025 . 2 . . . A 38 GLN HE22 . 17799 1 409 . 1 1 60 60 GLN C C 13 172.387 0.16 . 1 . . . A 38 GLN C . 17799 1 410 . 1 1 60 60 GLN CA C 13 52.442 0.16 . 1 . . . A 38 GLN CA . 17799 1 411 . 1 1 60 60 GLN CB C 13 28.864 0.16 . 1 . . . A 38 GLN CB . 17799 1 412 . 1 1 60 60 GLN CG C 13 32.709 0.16 . 1 . . . A 38 GLN CG . 17799 1 413 . 1 1 60 60 GLN N N 15 119.228 0.12 . 1 . . . A 38 GLN N . 17799 1 414 . 1 1 60 60 GLN NE2 N 15 110.828 0.12 . 1 . . . A 38 GLN NE2 . 17799 1 415 . 1 1 61 61 LEU H H 1 8.924 0.025 . 1 . . . A 39 LEU H . 17799 1 416 . 1 1 61 61 LEU HA H 1 5.168 0.025 . 1 . . . A 39 LEU HA . 17799 1 417 . 1 1 61 61 LEU HB2 H 1 1.671 0.025 . 2 . . . A 39 LEU HB2 . 17799 1 418 . 1 1 61 61 LEU HB3 H 1 1.291 0.025 . 2 . . . A 39 LEU HB3 . 17799 1 419 . 1 1 61 61 LEU HG H 1 1.547 0.025 . 1 . . . A 39 LEU HG . 17799 1 420 . 1 1 61 61 LEU HD11 H 1 0.915 0.025 . 2 . . . A 39 LEU HD11 . 17799 1 421 . 1 1 61 61 LEU HD12 H 1 0.915 0.025 . 2 . . . A 39 LEU HD12 . 17799 1 422 . 1 1 61 61 LEU HD13 H 1 0.915 0.025 . 2 . . . A 39 LEU HD13 . 17799 1 423 . 1 1 61 61 LEU HD21 H 1 0.839 0.025 . 2 . . . A 39 LEU HD21 . 17799 1 424 . 1 1 61 61 LEU HD22 H 1 0.839 0.025 . 2 . . . A 39 LEU HD22 . 17799 1 425 . 1 1 61 61 LEU HD23 H 1 0.839 0.025 . 2 . . . A 39 LEU HD23 . 17799 1 426 . 1 1 61 61 LEU C C 13 172.005 0.16 . 1 . . . A 39 LEU C . 17799 1 427 . 1 1 61 61 LEU CA C 13 50.331 0.16 . 1 . . . A 39 LEU CA . 17799 1 428 . 1 1 61 61 LEU CB C 13 42.806 0.16 . 1 . . . A 39 LEU CB . 17799 1 429 . 1 1 61 61 LEU CG C 13 25.852 0.16 . 1 . . . A 39 LEU CG . 17799 1 430 . 1 1 61 61 LEU CD1 C 13 21.906 0.16 . 2 . . . A 39 LEU CD1 . 17799 1 431 . 1 1 61 61 LEU CD2 C 13 23.006 0.16 . 2 . . . A 39 LEU CD2 . 17799 1 432 . 1 1 61 61 LEU N N 15 120.960 0.12 . 1 . . . A 39 LEU N . 17799 1 433 . 1 1 62 62 LYS H H 1 9.479 0.025 . 1 . . . A 40 LYS H . 17799 1 434 . 1 1 62 62 LYS HA H 1 4.979 0.025 . 1 . . . A 40 LYS HA . 17799 1 435 . 1 1 62 62 LYS HB2 H 1 1.291 0.025 . 2 . . . A 40 LYS HB2 . 17799 1 436 . 1 1 62 62 LYS HB3 H 1 1.591 0.025 . 2 . . . A 40 LYS HB3 . 17799 1 437 . 1 1 62 62 LYS HG2 H 1 0.915 0.025 . 2 . . . A 40 LYS HG2 . 17799 1 438 . 1 1 62 62 LYS HG3 H 1 0.915 0.025 . 2 . . . A 40 LYS HG3 . 17799 1 439 . 1 1 62 62 LYS HD2 H 1 1.425 0.025 . 2 . . . A 40 LYS HD2 . 17799 1 440 . 1 1 62 62 LYS HD3 H 1 1.425 0.025 . 2 . . . A 40 LYS HD3 . 17799 1 441 . 1 1 62 62 LYS HE2 H 1 2.756 0.025 . 2 . . . A 40 LYS HE2 . 17799 1 442 . 1 1 62 62 LYS HE3 H 1 2.756 0.025 . 2 . . . A 40 LYS HE3 . 17799 1 443 . 1 1 62 62 LYS C C 13 173.825 0.16 . 1 . . . A 40 LYS C . 17799 1 444 . 1 1 62 62 LYS CA C 13 51.794 0.16 . 1 . . . A 40 LYS CA . 17799 1 445 . 1 1 62 62 LYS CB C 13 32.055 0.16 . 1 . . . A 40 LYS CB . 17799 1 446 . 1 1 62 62 LYS CG C 13 21.777 0.16 . 1 . . . A 40 LYS CG . 17799 1 447 . 1 1 62 62 LYS CD C 13 26.887 0.16 . 1 . . . A 40 LYS CD . 17799 1 448 . 1 1 62 62 LYS CE C 13 39.307 0.16 . 1 . . . A 40 LYS CE . 17799 1 449 . 1 1 62 62 LYS N N 15 121.523 0.12 . 1 . . . A 40 LYS N . 17799 1 450 . 1 1 63 63 ASP H H 1 8.517 0.025 . 1 . . . A 41 ASP H . 17799 1 451 . 1 1 63 63 ASP HA H 1 4.875 0.025 . 1 . . . A 41 ASP HA . 17799 1 452 . 1 1 63 63 ASP HB2 H 1 2.967 0.025 . 2 . . . A 41 ASP HB2 . 17799 1 453 . 1 1 63 63 ASP HB3 H 1 2.477 0.025 . 2 . . . A 41 ASP HB3 . 17799 1 454 . 1 1 63 63 ASP C C 13 175.288 0.16 . 1 . . . A 41 ASP C . 17799 1 455 . 1 1 63 63 ASP CA C 13 51.118 0.16 . 1 . . . A 41 ASP CA . 17799 1 456 . 1 1 63 63 ASP CB C 13 39.974 0.16 . 1 . . . A 41 ASP CB . 17799 1 457 . 1 1 63 63 ASP N N 15 127.705 0.12 . 1 . . . A 41 ASP N . 17799 1 458 . 1 1 64 64 GLY H H 1 8.823 0.025 . 1 . . . A 42 GLY H . 17799 1 459 . 1 1 64 64 GLY HA2 H 1 3.727 0.025 . 2 . . . A 42 GLY HA2 . 17799 1 460 . 1 1 64 64 GLY HA3 H 1 3.676 0.025 . 2 . . . A 42 GLY HA3 . 17799 1 461 . 1 1 64 64 GLY C C 13 171.977 0.16 . 1 . . . A 42 GLY C . 17799 1 462 . 1 1 64 64 GLY CA C 13 44.507 0.16 . 1 . . . A 42 GLY CA . 17799 1 463 . 1 1 64 64 GLY N N 15 115.583 0.12 . 1 . . . A 42 GLY N . 17799 1 464 . 1 1 65 65 ALA H H 1 8.674 0.025 . 1 . . . A 43 ALA H . 17799 1 465 . 1 1 65 65 ALA HA H 1 4.366 0.025 . 1 . . . A 43 ALA HA . 17799 1 466 . 1 1 65 65 ALA HB1 H 1 1.555 0.025 . 1 . . . A 43 ALA HB1 . 17799 1 467 . 1 1 65 65 ALA HB2 H 1 1.555 0.025 . 1 . . . A 43 ALA HB2 . 17799 1 468 . 1 1 65 65 ALA HB3 H 1 1.555 0.025 . 1 . . . A 43 ALA HB3 . 17799 1 469 . 1 1 65 65 ALA C C 13 176.946 0.16 . 1 . . . A 43 ALA C . 17799 1 470 . 1 1 65 65 ALA CA C 13 51.487 0.16 . 1 . . . A 43 ALA CA . 17799 1 471 . 1 1 65 65 ALA CB C 13 16.872 0.16 . 1 . . . A 43 ALA CB . 17799 1 472 . 1 1 65 65 ALA N N 15 122.284 0.12 . 1 . . . A 43 ALA N . 17799 1 473 . 1 1 66 66 THR H H 1 7.828 0.025 . 1 . . . A 44 THR H . 17799 1 474 . 1 1 66 66 THR HA H 1 4.400 0.025 . 1 . . . A 44 THR HA . 17799 1 475 . 1 1 66 66 THR HB H 1 4.332 0.025 . 1 . . . A 44 THR HB . 17799 1 476 . 1 1 66 66 THR HG21 H 1 1.202 0.025 . 1 . . . A 44 THR HG21 . 17799 1 477 . 1 1 66 66 THR HG22 H 1 1.202 0.025 . 1 . . . A 44 THR HG22 . 17799 1 478 . 1 1 66 66 THR HG23 H 1 1.202 0.025 . 1 . . . A 44 THR HG23 . 17799 1 479 . 1 1 66 66 THR C C 13 174.047 0.16 . 1 . . . A 44 THR C . 17799 1 480 . 1 1 66 66 THR CA C 13 59.015 0.16 . 1 . . . A 44 THR CA . 17799 1 481 . 1 1 66 66 THR CB C 13 68.606 0.16 . 1 . . . A 44 THR CB . 17799 1 482 . 1 1 66 66 THR CG2 C 13 18.761 0.16 . 1 . . . A 44 THR CG2 . 17799 1 483 . 1 1 66 66 THR N N 15 105.891 0.12 . 1 . . . A 44 THR N . 17799 1 484 . 1 1 67 67 GLY H H 1 8.403 0.025 . 1 . . . A 45 GLY H . 17799 1 485 . 1 1 67 67 GLY HA2 H 1 4.125 0.025 . 2 . . . A 45 GLY HA2 . 17799 1 486 . 1 1 67 67 GLY HA3 H 1 3.624 0.025 . 2 . . . A 45 GLY HA3 . 17799 1 487 . 1 1 67 67 GLY C C 13 171.067 0.16 . 1 . . . A 45 GLY C . 17799 1 488 . 1 1 67 67 GLY CA C 13 42.986 0.16 . 1 . . . A 45 GLY CA . 17799 1 489 . 1 1 67 67 GLY N N 15 111.376 0.12 . 1 . . . A 45 GLY N . 17799 1 490 . 1 1 68 68 GLU H H 1 7.827 0.025 . 1 . . . A 46 GLU H . 17799 1 491 . 1 1 68 68 GLU HA H 1 4.143 0.025 . 1 . . . A 46 GLU HA . 17799 1 492 . 1 1 68 68 GLU HB2 H 1 1.926 0.025 . 2 . . . A 46 GLU HB2 . 17799 1 493 . 1 1 68 68 GLU HB3 H 1 1.837 0.025 . 2 . . . A 46 GLU HB3 . 17799 1 494 . 1 1 68 68 GLU HG2 H 1 2.152 0.025 . 2 . . . A 46 GLU HG2 . 17799 1 495 . 1 1 68 68 GLU HG3 H 1 2.245 0.025 . 2 . . . A 46 GLU HG3 . 17799 1 496 . 1 1 68 68 GLU C C 13 172.792 0.16 . 1 . . . A 46 GLU C . 17799 1 497 . 1 1 68 68 GLU CA C 13 53.872 0.16 . 1 . . . A 46 GLU CA . 17799 1 498 . 1 1 68 68 GLU CB C 13 28.224 0.16 . 1 . . . A 46 GLU CB . 17799 1 499 . 1 1 68 68 GLU CG C 13 33.420 0.16 . 1 . . . A 46 GLU CG . 17799 1 500 . 1 1 68 68 GLU N N 15 121.010 0.12 . 1 . . . A 46 GLU N . 17799 1 501 . 1 1 69 69 SER H H 1 8.470 0.025 . 1 . . . A 47 SER H . 17799 1 502 . 1 1 69 69 SER HA H 1 4.874 0.025 . 1 . . . A 47 SER HA . 17799 1 503 . 1 1 69 69 SER HB2 H 1 3.605 0.025 . 2 . . . A 47 SER HB2 . 17799 1 504 . 1 1 69 69 SER HB3 H 1 3.697 0.025 . 2 . . . A 47 SER HB3 . 17799 1 505 . 1 1 69 69 SER C C 13 170.945 0.16 . 1 . . . A 47 SER C . 17799 1 506 . 1 1 69 69 SER CA C 13 55.593 0.16 . 1 . . . A 47 SER CA . 17799 1 507 . 1 1 69 69 SER CB C 13 61.402 0.16 . 1 . . . A 47 SER CB . 17799 1 508 . 1 1 69 69 SER N N 15 117.737 0.12 . 1 . . . A 47 SER N . 17799 1 509 . 1 1 70 70 LEU H H 1 9.506 0.025 . 1 . . . A 48 LEU H . 17799 1 510 . 1 1 70 70 LEU HA H 1 4.555 0.025 . 1 . . . A 48 LEU HA . 17799 1 511 . 1 1 70 70 LEU HB2 H 1 1.495 0.025 . 2 . . . A 48 LEU HB2 . 17799 1 512 . 1 1 70 70 LEU HB3 H 1 1.495 0.025 . 2 . . . A 48 LEU HB3 . 17799 1 513 . 1 1 70 70 LEU HG H 1 1.529 0.025 . 1 . . . A 48 LEU HG . 17799 1 514 . 1 1 70 70 LEU HD11 H 1 0.812 0.025 . 2 . . . A 48 LEU HD11 . 17799 1 515 . 1 1 70 70 LEU HD12 H 1 0.812 0.025 . 2 . . . A 48 LEU HD12 . 17799 1 516 . 1 1 70 70 LEU HD13 H 1 0.812 0.025 . 2 . . . A 48 LEU HD13 . 17799 1 517 . 1 1 70 70 LEU HD21 H 1 0.820 0.025 . 2 . . . A 48 LEU HD21 . 17799 1 518 . 1 1 70 70 LEU HD22 H 1 0.820 0.025 . 2 . . . A 48 LEU HD22 . 17799 1 519 . 1 1 70 70 LEU HD23 H 1 0.820 0.025 . 2 . . . A 48 LEU HD23 . 17799 1 520 . 1 1 70 70 LEU C C 13 172.821 0.16 . 1 . . . A 48 LEU C . 17799 1 521 . 1 1 70 70 LEU CA C 13 50.951 0.16 . 1 . . . A 48 LEU CA . 17799 1 522 . 1 1 70 70 LEU CB C 13 42.818 0.16 . 1 . . . A 48 LEU CB . 17799 1 523 . 1 1 70 70 LEU CG C 13 24.170 0.16 . 1 . . . A 48 LEU CG . 17799 1 524 . 1 1 70 70 LEU CD1 C 13 23.782 0.16 . 2 . . . A 48 LEU CD1 . 17799 1 525 . 1 1 70 70 LEU CD2 C 13 20.823 0.16 . 2 . . . A 48 LEU CD2 . 17799 1 526 . 1 1 70 70 LEU N N 15 127.186 0.12 . 1 . . . A 48 LEU N . 17799 1 527 . 1 1 71 71 ALA H H 1 8.144 0.025 . 1 . . . A 49 ALA H . 17799 1 528 . 1 1 71 71 ALA HA H 1 4.281 0.025 . 1 . . . A 49 ALA HA . 17799 1 529 . 1 1 71 71 ALA HB1 H 1 1.297 0.025 . 1 . . . A 49 ALA HB1 . 17799 1 530 . 1 1 71 71 ALA HB2 H 1 1.297 0.025 . 1 . . . A 49 ALA HB2 . 17799 1 531 . 1 1 71 71 ALA HB3 H 1 1.297 0.025 . 1 . . . A 49 ALA HB3 . 17799 1 532 . 1 1 71 71 ALA C C 13 173.800 0.16 . 1 . . . A 49 ALA C . 17799 1 533 . 1 1 71 71 ALA CA C 13 48.919 0.16 . 1 . . . A 49 ALA CA . 17799 1 534 . 1 1 71 71 ALA CB C 13 16.370 0.16 . 1 . . . A 49 ALA CB . 17799 1 535 . 1 1 71 71 ALA N N 15 123.108 0.12 . 1 . . . A 49 ALA N . 17799 1 536 . 1 1 72 72 SER H H 1 8.314 0.025 . 1 . . . A 50 SER H . 17799 1 537 . 1 1 72 72 SER HA H 1 4.649 0.025 . 1 . . . A 50 SER HA . 17799 1 538 . 1 1 72 72 SER HB2 H 1 4.266 0.025 . 2 . . . A 50 SER HB2 . 17799 1 539 . 1 1 72 72 SER HB3 H 1 4.266 0.025 . 2 . . . A 50 SER HB3 . 17799 1 540 . 1 1 72 72 SER CA C 13 51.994 0.16 . 1 . . . A 50 SER CA . 17799 1 541 . 1 1 72 72 SER CB C 13 59.296 0.16 . 1 . . . A 50 SER CB . 17799 1 542 . 1 1 72 72 SER N N 15 112.462 0.12 . 1 . . . A 50 SER N . 17799 1 543 . 1 1 73 73 PRO HA H 1 5.175 0.025 . 1 . . . A 51 PRO HA . 17799 1 544 . 1 1 73 73 PRO HB2 H 1 1.616 0.025 . 2 . . . A 51 PRO HB2 . 17799 1 545 . 1 1 73 73 PRO HB3 H 1 2.019 0.025 . 2 . . . A 51 PRO HB3 . 17799 1 546 . 1 1 73 73 PRO HG2 H 1 1.867 0.025 . 2 . . . A 51 PRO HG2 . 17799 1 547 . 1 1 73 73 PRO HG3 H 1 1.809 0.025 . 2 . . . A 51 PRO HG3 . 17799 1 548 . 1 1 73 73 PRO HD2 H 1 3.561 0.025 . 2 . . . A 51 PRO HD2 . 17799 1 549 . 1 1 73 73 PRO HD3 H 1 3.519 0.025 . 2 . . . A 51 PRO HD3 . 17799 1 550 . 1 1 73 73 PRO C C 13 172.784 0.16 . 1 . . . A 51 PRO C . 17799 1 551 . 1 1 73 73 PRO CA C 13 59.644 0.16 . 1 . . . A 51 PRO CA . 17799 1 552 . 1 1 73 73 PRO CB C 13 32.117 0.16 . 1 . . . A 51 PRO CB . 17799 1 553 . 1 1 73 73 PRO CG C 13 22.058 0.16 . 1 . . . A 51 PRO CG . 17799 1 554 . 1 1 73 73 PRO CD C 13 48.000 0.16 . 1 . . . A 51 PRO CD . 17799 1 555 . 1 1 74 74 VAL H H 1 9.029 0.025 . 1 . . . A 52 VAL H . 17799 1 556 . 1 1 74 74 VAL HA H 1 4.127 0.025 . 1 . . . A 52 VAL HA . 17799 1 557 . 1 1 74 74 VAL HB H 1 1.764 0.025 . 1 . . . A 52 VAL HB . 17799 1 558 . 1 1 74 74 VAL HG11 H 1 0.916 0.025 . 2 . . . A 52 VAL HG11 . 17799 1 559 . 1 1 74 74 VAL HG12 H 1 0.916 0.025 . 2 . . . A 52 VAL HG12 . 17799 1 560 . 1 1 74 74 VAL HG13 H 1 0.916 0.025 . 2 . . . A 52 VAL HG13 . 17799 1 561 . 1 1 74 74 VAL HG21 H 1 0.764 0.025 . 2 . . . A 52 VAL HG21 . 17799 1 562 . 1 1 74 74 VAL HG22 H 1 0.764 0.025 . 2 . . . A 52 VAL HG22 . 17799 1 563 . 1 1 74 74 VAL HG23 H 1 0.764 0.025 . 2 . . . A 52 VAL HG23 . 17799 1 564 . 1 1 74 74 VAL C C 13 171.466 0.16 . 1 . . . A 52 VAL C . 17799 1 565 . 1 1 74 74 VAL CA C 13 59.230 0.16 . 1 . . . A 52 VAL CA . 17799 1 566 . 1 1 74 74 VAL CB C 13 30.875 0.16 . 1 . . . A 52 VAL CB . 17799 1 567 . 1 1 74 74 VAL CG1 C 13 21.841 0.16 . 2 . . . A 52 VAL CG1 . 17799 1 568 . 1 1 74 74 VAL CG2 C 13 18.995 0.16 . 2 . . . A 52 VAL CG2 . 17799 1 569 . 1 1 74 74 VAL N N 15 122.611 0.12 . 1 . . . A 52 VAL N . 17799 1 570 . 1 1 75 75 ILE H H 1 8.396 0.025 . 1 . . . A 53 ILE H . 17799 1 571 . 1 1 75 75 ILE HA H 1 4.550 0.025 . 1 . . . A 53 ILE HA . 17799 1 572 . 1 1 75 75 ILE HB H 1 1.698 0.025 . 1 . . . A 53 ILE HB . 17799 1 573 . 1 1 75 75 ILE HG12 H 1 0.995 0.025 . 2 . . . A 53 ILE HG12 . 17799 1 574 . 1 1 75 75 ILE HG13 H 1 1.409 0.025 . 2 . . . A 53 ILE HG13 . 17799 1 575 . 1 1 75 75 ILE HG21 H 1 0.709 0.025 . 1 . . . A 53 ILE HG21 . 17799 1 576 . 1 1 75 75 ILE HG22 H 1 0.709 0.025 . 1 . . . A 53 ILE HG22 . 17799 1 577 . 1 1 75 75 ILE HG23 H 1 0.709 0.025 . 1 . . . A 53 ILE HG23 . 17799 1 578 . 1 1 75 75 ILE HD11 H 1 0.773 0.025 . 1 . . . A 53 ILE HD11 . 17799 1 579 . 1 1 75 75 ILE HD12 H 1 0.773 0.025 . 1 . . . A 53 ILE HD12 . 17799 1 580 . 1 1 75 75 ILE HD13 H 1 0.773 0.025 . 1 . . . A 53 ILE HD13 . 17799 1 581 . 1 1 75 75 ILE C C 13 173.360 0.16 . 1 . . . A 53 ILE C . 17799 1 582 . 1 1 75 75 ILE CA C 13 57.709 0.16 . 1 . . . A 53 ILE CA . 17799 1 583 . 1 1 75 75 ILE CB C 13 36.086 0.16 . 1 . . . A 53 ILE CB . 17799 1 584 . 1 1 75 75 ILE CG1 C 13 25.194 0.16 . 1 . . . A 53 ILE CG1 . 17799 1 585 . 1 1 75 75 ILE CG2 C 13 14.948 0.16 . 1 . . . A 53 ILE CG2 . 17799 1 586 . 1 1 75 75 ILE CD1 C 13 10.780 0.16 . 1 . . . A 53 ILE CD1 . 17799 1 587 . 1 1 75 75 ILE N N 15 127.603 0.12 . 1 . . . A 53 ILE N . 17799 1 588 . 1 1 76 76 LEU H H 1 9.642 0.025 . 1 . . . A 54 LEU H . 17799 1 589 . 1 1 76 76 LEU HA H 1 4.526 0.025 . 1 . . . A 54 LEU HA . 17799 1 590 . 1 1 76 76 LEU HB2 H 1 1.944 0.025 . 2 . . . A 54 LEU HB2 . 17799 1 591 . 1 1 76 76 LEU HB3 H 1 1.147 0.025 . 2 . . . A 54 LEU HB3 . 17799 1 592 . 1 1 76 76 LEU HG H 1 1.420 0.025 . 1 . . . A 54 LEU HG . 17799 1 593 . 1 1 76 76 LEU HD11 H 1 0.656 0.025 . 2 . . . A 54 LEU HD11 . 17799 1 594 . 1 1 76 76 LEU HD12 H 1 0.656 0.025 . 2 . . . A 54 LEU HD12 . 17799 1 595 . 1 1 76 76 LEU HD13 H 1 0.656 0.025 . 2 . . . A 54 LEU HD13 . 17799 1 596 . 1 1 76 76 LEU HD21 H 1 0.561 0.025 . 2 . . . A 54 LEU HD21 . 17799 1 597 . 1 1 76 76 LEU HD22 H 1 0.561 0.025 . 2 . . . A 54 LEU HD22 . 17799 1 598 . 1 1 76 76 LEU HD23 H 1 0.561 0.025 . 2 . . . A 54 LEU HD23 . 17799 1 599 . 1 1 76 76 LEU C C 13 172.472 0.16 . 1 . . . A 54 LEU C . 17799 1 600 . 1 1 76 76 LEU CA C 13 51.163 0.16 . 1 . . . A 54 LEU CA . 17799 1 601 . 1 1 76 76 LEU CB C 13 39.709 0.16 . 1 . . . A 54 LEU CB . 17799 1 602 . 1 1 76 76 LEU CG C 13 24.012 0.16 . 1 . . . A 54 LEU CG . 17799 1 603 . 1 1 76 76 LEU CD1 C 13 20.725 0.16 . 2 . . . A 54 LEU CD1 . 17799 1 604 . 1 1 76 76 LEU CD2 C 13 23.188 0.16 . 2 . . . A 54 LEU CD2 . 17799 1 605 . 1 1 76 76 LEU N N 15 129.088 0.12 . 1 . . . A 54 LEU N . 17799 1 606 . 1 1 77 77 SER H H 1 9.011 0.025 . 1 . . . A 55 SER H . 17799 1 607 . 1 1 77 77 SER HA H 1 5.107 0.025 . 1 . . . A 55 SER HA . 17799 1 608 . 1 1 77 77 SER HB2 H 1 4.272 0.025 . 2 . . . A 55 SER HB2 . 17799 1 609 . 1 1 77 77 SER HB3 H 1 4.040 0.025 . 2 . . . A 55 SER HB3 . 17799 1 610 . 1 1 77 77 SER C C 13 172.050 0.16 . 1 . . . A 55 SER C . 17799 1 611 . 1 1 77 77 SER CA C 13 53.578 0.16 . 1 . . . A 55 SER CA . 17799 1 612 . 1 1 77 77 SER CB C 13 63.741 0.16 . 1 . . . A 55 SER CB . 17799 1 613 . 1 1 77 77 SER N N 15 120.477 0.12 . 1 . . . A 55 SER N . 17799 1 614 . 1 1 78 78 ASP H H 1 8.363 0.025 . 1 . . . A 56 ASP H . 17799 1 615 . 1 1 78 78 ASP HA H 1 4.373 0.025 . 1 . . . A 56 ASP HA . 17799 1 616 . 1 1 78 78 ASP HB2 H 1 2.548 0.025 . 2 . . . A 56 ASP HB2 . 17799 1 617 . 1 1 78 78 ASP HB3 H 1 2.682 0.025 . 2 . . . A 56 ASP HB3 . 17799 1 618 . 1 1 78 78 ASP C C 13 175.885 0.16 . 1 . . . A 56 ASP C . 17799 1 619 . 1 1 78 78 ASP CA C 13 56.871 0.16 . 1 . . . A 56 ASP CA . 17799 1 620 . 1 1 78 78 ASP CB C 13 39.268 0.16 . 1 . . . A 56 ASP CB . 17799 1 621 . 1 1 78 78 ASP N N 15 119.628 0.12 . 1 . . . A 56 ASP N . 17799 1 622 . 1 1 79 79 GLU H H 1 8.287 0.025 . 1 . . . A 57 GLU H . 17799 1 623 . 1 1 79 79 GLU HA H 1 4.031 0.025 . 1 . . . A 57 GLU HA . 17799 1 624 . 1 1 79 79 GLU HB2 H 1 1.895 0.025 . 2 . . . A 57 GLU HB2 . 17799 1 625 . 1 1 79 79 GLU HB3 H 1 1.929 0.025 . 2 . . . A 57 GLU HB3 . 17799 1 626 . 1 1 79 79 GLU HG2 H 1 2.264 0.025 . 2 . . . A 57 GLU HG2 . 17799 1 627 . 1 1 79 79 GLU HG3 H 1 2.264 0.025 . 2 . . . A 57 GLU HG3 . 17799 1 628 . 1 1 79 79 GLU C C 13 176.147 0.16 . 1 . . . A 57 GLU C . 17799 1 629 . 1 1 79 79 GLU CA C 13 56.867 0.16 . 1 . . . A 57 GLU CA . 17799 1 630 . 1 1 79 79 GLU CB C 13 26.463 0.16 . 1 . . . A 57 GLU CB . 17799 1 631 . 1 1 79 79 GLU CG C 13 33.796 0.16 . 1 . . . A 57 GLU CG . 17799 1 632 . 1 1 79 79 GLU N N 15 117.568 0.12 . 1 . . . A 57 GLU N . 17799 1 633 . 1 1 80 80 GLU H H 1 7.831 0.025 . 1 . . . A 58 GLU H . 17799 1 634 . 1 1 80 80 GLU HA H 1 4.210 0.025 . 1 . . . A 58 GLU HA . 17799 1 635 . 1 1 80 80 GLU HB2 H 1 2.221 0.025 . 2 . . . A 58 GLU HB2 . 17799 1 636 . 1 1 80 80 GLU HB3 H 1 2.123 0.025 . 2 . . . A 58 GLU HB3 . 17799 1 637 . 1 1 80 80 GLU HG2 H 1 2.233 0.025 . 2 . . . A 58 GLU HG2 . 17799 1 638 . 1 1 80 80 GLU HG3 H 1 2.614 0.025 . 2 . . . A 58 GLU HG3 . 17799 1 639 . 1 1 80 80 GLU C C 13 174.206 0.16 . 1 . . . A 58 GLU C . 17799 1 640 . 1 1 80 80 GLU CA C 13 56.894 0.16 . 1 . . . A 58 GLU CA . 17799 1 641 . 1 1 80 80 GLU CB C 13 27.411 0.16 . 1 . . . A 58 GLU CB . 17799 1 642 . 1 1 80 80 GLU CG C 13 34.694 0.16 . 1 . . . A 58 GLU CG . 17799 1 643 . 1 1 80 80 GLU N N 15 118.660 0.12 . 1 . . . A 58 GLU N . 17799 1 644 . 1 1 81 81 LEU H H 1 7.779 0.025 . 1 . . . A 59 LEU H . 17799 1 645 . 1 1 81 81 LEU HA H 1 4.421 0.025 . 1 . . . A 59 LEU HA . 17799 1 646 . 1 1 81 81 LEU HB2 H 1 1.608 0.025 . 2 . . . A 59 LEU HB2 . 17799 1 647 . 1 1 81 81 LEU HB3 H 1 1.952 0.025 . 2 . . . A 59 LEU HB3 . 17799 1 648 . 1 1 81 81 LEU HG H 1 1.479 0.025 . 1 . . . A 59 LEU HG . 17799 1 649 . 1 1 81 81 LEU HD11 H 1 0.524 0.025 . 2 . . . A 59 LEU HD11 . 17799 1 650 . 1 1 81 81 LEU HD12 H 1 0.524 0.025 . 2 . . . A 59 LEU HD12 . 17799 1 651 . 1 1 81 81 LEU HD13 H 1 0.524 0.025 . 2 . . . A 59 LEU HD13 . 17799 1 652 . 1 1 81 81 LEU HD21 H 1 0.623 0.025 . 2 . . . A 59 LEU HD21 . 17799 1 653 . 1 1 81 81 LEU HD22 H 1 0.623 0.025 . 2 . . . A 59 LEU HD22 . 17799 1 654 . 1 1 81 81 LEU HD23 H 1 0.623 0.025 . 2 . . . A 59 LEU HD23 . 17799 1 655 . 1 1 81 81 LEU C C 13 172.889 0.16 . 1 . . . A 59 LEU C . 17799 1 656 . 1 1 81 81 LEU CA C 13 50.656 0.16 . 1 . . . A 59 LEU CA . 17799 1 657 . 1 1 81 81 LEU CB C 13 39.265 0.16 . 1 . . . A 59 LEU CB . 17799 1 658 . 1 1 81 81 LEU CG C 13 24.048 0.16 . 1 . . . A 59 LEU CG . 17799 1 659 . 1 1 81 81 LEU CD1 C 13 19.256 0.16 . 2 . . . A 59 LEU CD1 . 17799 1 660 . 1 1 81 81 LEU CD2 C 13 24.266 0.16 . 2 . . . A 59 LEU CD2 . 17799 1 661 . 1 1 81 81 LEU N N 15 116.569 0.12 . 1 . . . A 59 LEU N . 17799 1 662 . 1 1 82 82 ALA H H 1 7.255 0.025 . 1 . . . A 60 ALA H . 17799 1 663 . 1 1 82 82 ALA HA H 1 4.561 0.025 . 1 . . . A 60 ALA HA . 17799 1 664 . 1 1 82 82 ALA HB1 H 1 1.511 0.025 . 1 . . . A 60 ALA HB1 . 17799 1 665 . 1 1 82 82 ALA HB2 H 1 1.511 0.025 . 1 . . . A 60 ALA HB2 . 17799 1 666 . 1 1 82 82 ALA HB3 H 1 1.511 0.025 . 1 . . . A 60 ALA HB3 . 17799 1 667 . 1 1 82 82 ALA C C 13 174.586 0.16 . 1 . . . A 60 ALA C . 17799 1 668 . 1 1 82 82 ALA CA C 13 50.450 0.16 . 1 . . . A 60 ALA CA . 17799 1 669 . 1 1 82 82 ALA CB C 13 16.180 0.16 . 1 . . . A 60 ALA CB . 17799 1 670 . 1 1 82 82 ALA N N 15 121.609 0.12 . 1 . . . A 60 ALA N . 17799 1 671 . 1 1 83 83 VAL H H 1 6.781 0.025 . 1 . . . A 61 VAL H . 17799 1 672 . 1 1 83 83 VAL HA H 1 4.554 0.025 . 1 . . . A 61 VAL HA . 17799 1 673 . 1 1 83 83 VAL HB H 1 2.302 0.025 . 1 . . . A 61 VAL HB . 17799 1 674 . 1 1 83 83 VAL HG11 H 1 0.832 0.025 . 2 . . . A 61 VAL HG11 . 17799 1 675 . 1 1 83 83 VAL HG12 H 1 0.832 0.025 . 2 . . . A 61 VAL HG12 . 17799 1 676 . 1 1 83 83 VAL HG13 H 1 0.832 0.025 . 2 . . . A 61 VAL HG13 . 17799 1 677 . 1 1 83 83 VAL HG21 H 1 0.962 0.025 . 2 . . . A 61 VAL HG21 . 17799 1 678 . 1 1 83 83 VAL HG22 H 1 0.962 0.025 . 2 . . . A 61 VAL HG22 . 17799 1 679 . 1 1 83 83 VAL HG23 H 1 0.962 0.025 . 2 . . . A 61 VAL HG23 . 17799 1 680 . 1 1 83 83 VAL C C 13 171.900 0.16 . 1 . . . A 61 VAL C . 17799 1 681 . 1 1 83 83 VAL CA C 13 56.600 0.16 . 1 . . . A 61 VAL CA . 17799 1 682 . 1 1 83 83 VAL CB C 13 31.057 0.16 . 1 . . . A 61 VAL CB . 17799 1 683 . 1 1 83 83 VAL CG1 C 13 15.834 0.16 . 2 . . . A 61 VAL CG1 . 17799 1 684 . 1 1 83 83 VAL CG2 C 13 19.026 0.16 . 2 . . . A 61 VAL CG2 . 17799 1 685 . 1 1 83 83 VAL N N 15 109.673 0.12 . 1 . . . A 61 VAL N . 17799 1 686 . 1 1 84 84 GLU H H 1 8.678 0.025 . 1 . . . A 62 GLU H . 17799 1 687 . 1 1 84 84 GLU HA H 1 3.606 0.025 . 1 . . . A 62 GLU HA . 17799 1 688 . 1 1 84 84 GLU HB2 H 1 2.133 0.025 . 2 . . . A 62 GLU HB2 . 17799 1 689 . 1 1 84 84 GLU HG2 H 1 2.477 0.025 . 2 . . . A 62 GLU HG2 . 17799 1 690 . 1 1 84 84 GLU HG3 H 1 2.508 0.025 . 2 . . . A 62 GLU HG3 . 17799 1 691 . 1 1 84 84 GLU C C 13 172.392 0.16 . 1 . . . A 62 GLU C . 17799 1 692 . 1 1 84 84 GLU CA C 13 56.956 0.16 . 1 . . . A 62 GLU CA . 17799 1 693 . 1 1 84 84 GLU CB C 13 27.528 0.16 . 1 . . . A 62 GLU CB . 17799 1 694 . 1 1 84 84 GLU CG C 13 34.540 0.16 . 1 . . . A 62 GLU CG . 17799 1 695 . 1 1 84 84 GLU N N 15 117.673 0.12 . 1 . . . A 62 GLU N . 17799 1 696 . 1 1 85 85 LYS H H 1 7.428 0.025 . 1 . . . A 63 LYS H . 17799 1 697 . 1 1 85 85 LYS HA H 1 5.415 0.025 . 1 . . . A 63 LYS HA . 17799 1 698 . 1 1 85 85 LYS HB2 H 1 1.638 0.025 . 2 . . . A 63 LYS HB2 . 17799 1 699 . 1 1 85 85 LYS HG3 H 1 1.074 0.025 . 2 . . . A 63 LYS HG3 . 17799 1 700 . 1 1 85 85 LYS HD2 H 1 1.552 0.025 . 2 . . . A 63 LYS HD2 . 17799 1 701 . 1 1 85 85 LYS HD3 H 1 1.552 0.025 . 2 . . . A 63 LYS HD3 . 17799 1 702 . 1 1 85 85 LYS HE2 H 1 2.666 0.025 . 2 . . . A 63 LYS HE2 . 17799 1 703 . 1 1 85 85 LYS HE3 H 1 2.666 0.025 . 2 . . . A 63 LYS HE3 . 17799 1 704 . 1 1 85 85 LYS C C 13 171.964 0.16 . 1 . . . A 63 LYS C . 17799 1 705 . 1 1 85 85 LYS CA C 13 52.353 0.16 . 1 . . . A 63 LYS CA . 17799 1 706 . 1 1 85 85 LYS CB C 13 32.919 0.16 . 1 . . . A 63 LYS CB . 17799 1 707 . 1 1 85 85 LYS CG C 13 23.001 0.16 . 1 . . . A 63 LYS CG . 17799 1 708 . 1 1 85 85 LYS CD C 13 27.092 0.16 . 1 . . . A 63 LYS CD . 17799 1 709 . 1 1 85 85 LYS CE C 13 38.998 0.16 . 1 . . . A 63 LYS CE . 17799 1 710 . 1 1 85 85 LYS N N 15 117.380 0.12 . 1 . . . A 63 LYS N . 17799 1 711 . 1 1 86 86 VAL H H 1 8.537 0.025 . 1 . . . A 64 VAL H . 17799 1 712 . 1 1 86 86 VAL HA H 1 4.242 0.025 . 1 . . . A 64 VAL HA . 17799 1 713 . 1 1 86 86 VAL HB H 1 1.606 0.025 . 1 . . . A 64 VAL HB . 17799 1 714 . 1 1 86 86 VAL HG11 H 1 0.737 0.025 . 2 . . . A 64 VAL HG11 . 17799 1 715 . 1 1 86 86 VAL HG12 H 1 0.737 0.025 . 2 . . . A 64 VAL HG12 . 17799 1 716 . 1 1 86 86 VAL HG13 H 1 0.737 0.025 . 2 . . . A 64 VAL HG13 . 17799 1 717 . 1 1 86 86 VAL C C 13 171.457 0.16 . 1 . . . A 64 VAL C . 17799 1 718 . 1 1 86 86 VAL CA C 13 58.293 0.16 . 1 . . . A 64 VAL CA . 17799 1 719 . 1 1 86 86 VAL CB C 13 32.893 0.16 . 1 . . . A 64 VAL CB . 17799 1 720 . 1 1 86 86 VAL CG1 C 13 18.361 0.16 . 2 . . . A 64 VAL CG1 . 17799 1 721 . 1 1 86 86 VAL N N 15 125.912 0.12 . 1 . . . A 64 VAL N . 17799 1 722 . 1 1 87 87 THR H H 1 8.869 0.025 . 1 . . . A 65 THR H . 17799 1 723 . 1 1 87 87 THR HA H 1 5.255 0.025 . 1 . . . A 65 THR HA . 17799 1 724 . 1 1 87 87 THR HB H 1 3.751 0.025 . 1 . . . A 65 THR HB . 17799 1 725 . 1 1 87 87 THR HG21 H 1 1.029 0.025 . 1 . . . A 65 THR HG21 . 17799 1 726 . 1 1 87 87 THR HG22 H 1 1.029 0.025 . 1 . . . A 65 THR HG22 . 17799 1 727 . 1 1 87 87 THR HG23 H 1 1.029 0.025 . 1 . . . A 65 THR HG23 . 17799 1 728 . 1 1 87 87 THR C C 13 170.763 0.16 . 1 . . . A 65 THR C . 17799 1 729 . 1 1 87 87 THR CA C 13 58.669 0.16 . 1 . . . A 65 THR CA . 17799 1 730 . 1 1 87 87 THR CB C 13 68.981 0.16 . 1 . . . A 65 THR CB . 17799 1 731 . 1 1 87 87 THR CG2 C 13 18.538 0.16 . 1 . . . A 65 THR CG2 . 17799 1 732 . 1 1 87 87 THR N N 15 122.340 0.12 . 1 . . . A 65 THR N . 17799 1 733 . 1 1 88 88 LEU H H 1 8.805 0.025 . 1 . . . A 66 LEU H . 17799 1 734 . 1 1 88 88 LEU HA H 1 5.360 0.025 . 1 . . . A 66 LEU HA . 17799 1 735 . 1 1 88 88 LEU HB2 H 1 1.270 0.025 . 2 . . . A 66 LEU HB2 . 17799 1 736 . 1 1 88 88 LEU HB3 H 1 1.600 0.025 . 2 . . . A 66 LEU HB3 . 17799 1 737 . 1 1 88 88 LEU HG H 1 1.572 0.025 . 1 . . . A 66 LEU HG . 17799 1 738 . 1 1 88 88 LEU HD11 H 1 0.857 0.025 . 2 . . . A 66 LEU HD11 . 17799 1 739 . 1 1 88 88 LEU HD12 H 1 0.857 0.025 . 2 . . . A 66 LEU HD12 . 17799 1 740 . 1 1 88 88 LEU HD13 H 1 0.857 0.025 . 2 . . . A 66 LEU HD13 . 17799 1 741 . 1 1 88 88 LEU HD21 H 1 1.031 0.025 . 2 . . . A 66 LEU HD21 . 17799 1 742 . 1 1 88 88 LEU HD22 H 1 1.031 0.025 . 2 . . . A 66 LEU HD22 . 17799 1 743 . 1 1 88 88 LEU HD23 H 1 1.031 0.025 . 2 . . . A 66 LEU HD23 . 17799 1 744 . 1 1 88 88 LEU C C 13 172.734 0.16 . 1 . . . A 66 LEU C . 17799 1 745 . 1 1 88 88 LEU CA C 13 50.980 0.16 . 1 . . . A 66 LEU CA . 17799 1 746 . 1 1 88 88 LEU CB C 13 44.446 0.16 . 1 . . . A 66 LEU CB . 17799 1 747 . 1 1 88 88 LEU CG C 13 25.092 0.16 . 1 . . . A 66 LEU CG . 17799 1 748 . 1 1 88 88 LEU CD1 C 13 21.955 0.16 . 2 . . . A 66 LEU CD1 . 17799 1 749 . 1 1 88 88 LEU CD2 C 13 18.549 0.16 . 2 . . . A 66 LEU CD2 . 17799 1 750 . 1 1 88 88 LEU N N 15 124.999 0.12 . 1 . . . A 66 LEU N . 17799 1 751 . 1 1 89 89 SER H H 1 8.376 0.025 . 1 . . . A 67 SER H . 17799 1 752 . 1 1 89 89 SER HA H 1 5.336 0.025 . 1 . . . A 67 SER HA . 17799 1 753 . 1 1 89 89 SER HB2 H 1 3.721 0.025 . 2 . . . A 67 SER HB2 . 17799 1 754 . 1 1 89 89 SER HB3 H 1 3.844 0.025 . 2 . . . A 67 SER HB3 . 17799 1 755 . 1 1 89 89 SER C C 13 171.435 0.16 . 1 . . . A 67 SER C . 17799 1 756 . 1 1 89 89 SER CA C 13 53.468 0.16 . 1 . . . A 67 SER CA . 17799 1 757 . 1 1 89 89 SER CB C 13 62.699 0.16 . 1 . . . A 67 SER CB . 17799 1 758 . 1 1 89 89 SER N N 15 114.398 0.12 . 1 . . . A 67 SER N . 17799 1 759 . 1 1 90 90 THR H H 1 9.046 0.025 . 1 . . . A 68 THR H . 17799 1 760 . 1 1 90 90 THR HA H 1 5.063 0.025 . 1 . . . A 68 THR HA . 17799 1 761 . 1 1 90 90 THR HB H 1 5.028 0.025 . 1 . . . A 68 THR HB . 17799 1 762 . 1 1 90 90 THR HG21 H 1 1.313 0.025 . 1 . . . A 68 THR HG21 . 17799 1 763 . 1 1 90 90 THR HG22 H 1 1.313 0.025 . 1 . . . A 68 THR HG22 . 17799 1 764 . 1 1 90 90 THR HG23 H 1 1.313 0.025 . 1 . . . A 68 THR HG23 . 17799 1 765 . 1 1 90 90 THR C C 13 173.606 0.16 . 1 . . . A 68 THR C . 17799 1 766 . 1 1 90 90 THR CA C 13 58.826 0.16 . 1 . . . A 68 THR CA . 17799 1 767 . 1 1 90 90 THR CB C 13 66.456 0.16 . 1 . . . A 68 THR CB . 17799 1 768 . 1 1 90 90 THR CG2 C 13 21.285 0.16 . 1 . . . A 68 THR CG2 . 17799 1 769 . 1 1 90 90 THR N N 15 114.169 0.12 . 1 . . . A 68 THR N . 17799 1 770 . 1 1 91 91 THR H H 1 8.636 0.025 . 1 . . . A 69 THR H . 17799 1 771 . 1 1 91 91 THR HA H 1 3.980 0.025 . 1 . . . A 69 THR HA . 17799 1 772 . 1 1 91 91 THR HB H 1 4.179 0.025 . 1 . . . A 69 THR HB . 17799 1 773 . 1 1 91 91 THR HG21 H 1 0.996 0.025 . 1 . . . A 69 THR HG21 . 17799 1 774 . 1 1 91 91 THR HG22 H 1 0.996 0.025 . 1 . . . A 69 THR HG22 . 17799 1 775 . 1 1 91 91 THR HG23 H 1 0.996 0.025 . 1 . . . A 69 THR HG23 . 17799 1 776 . 1 1 91 91 THR C C 13 172.686 0.16 . 1 . . . A 69 THR C . 17799 1 777 . 1 1 91 91 THR CA C 13 60.929 0.16 . 1 . . . A 69 THR CA . 17799 1 778 . 1 1 91 91 THR CB C 13 65.127 0.16 . 1 . . . A 69 THR CB . 17799 1 779 . 1 1 91 91 THR CG2 C 13 20.581 0.16 . 1 . . . A 69 THR CG2 . 17799 1 780 . 1 1 91 91 THR N N 15 115.559 0.12 . 1 . . . A 69 THR N . 17799 1 781 . 1 1 92 92 GLY H H 1 7.599 0.025 . 1 . . . A 70 GLY H . 17799 1 782 . 1 1 92 92 GLY HA2 H 1 4.153 0.025 . 2 . . . A 70 GLY HA2 . 17799 1 783 . 1 1 92 92 GLY HA3 H 1 4.153 0.025 . 2 . . . A 70 GLY HA3 . 17799 1 784 . 1 1 92 92 GLY CA C 13 40.929 0.16 . 1 . . . A 70 GLY CA . 17799 1 785 . 1 1 92 92 GLY N N 15 112.611 0.12 . 1 . . . A 70 GLY N . 17799 1 786 . 1 1 93 93 LYS H H 1 8.310 0.025 . 1 . . . A 71 LYS H . 17799 1 787 . 1 1 93 93 LYS HA H 1 3.746 0.025 . 1 . . . A 71 LYS HA . 17799 1 788 . 1 1 93 93 LYS HB2 H 1 1.496 0.025 . 2 . . . A 71 LYS HB2 . 17799 1 789 . 1 1 93 93 LYS HB3 H 1 1.199 0.025 . 2 . . . A 71 LYS HB3 . 17799 1 790 . 1 1 93 93 LYS HG2 H 1 0.765 0.025 . 2 . . . A 71 LYS HG2 . 17799 1 791 . 1 1 93 93 LYS HG3 H 1 0.765 0.025 . 2 . . . A 71 LYS HG3 . 17799 1 792 . 1 1 93 93 LYS HD2 H 1 1.307 0.025 . 2 . . . A 71 LYS HD2 . 17799 1 793 . 1 1 93 93 LYS HD3 H 1 1.307 0.025 . 2 . . . A 71 LYS HD3 . 17799 1 794 . 1 1 93 93 LYS HE2 H 1 2.755 0.025 . 2 . . . A 71 LYS HE2 . 17799 1 795 . 1 1 93 93 LYS HE3 H 1 2.755 0.025 . 2 . . . A 71 LYS HE3 . 17799 1 796 . 1 1 93 93 LYS C C 13 173.228 0.16 . 1 . . . A 71 LYS C . 17799 1 797 . 1 1 93 93 LYS CA C 13 54.715 0.16 . 1 . . . A 71 LYS CA . 17799 1 798 . 1 1 93 93 LYS CB C 13 30.928 0.16 . 1 . . . A 71 LYS CB . 17799 1 799 . 1 1 93 93 LYS CG C 13 24.230 0.16 . 1 . . . A 71 LYS CG . 17799 1 800 . 1 1 93 93 LYS CD C 13 27.076 0.16 . 1 . . . A 71 LYS CD . 17799 1 801 . 1 1 93 93 LYS CE C 13 39.612 0.16 . 1 . . . A 71 LYS CE . 17799 1 802 . 1 1 93 93 LYS N N 15 120.383 0.12 . 1 . . . A 71 LYS N . 17799 1 803 . 1 1 94 94 ALA H H 1 9.163 0.025 . 1 . . . A 72 ALA H . 17799 1 804 . 1 1 94 94 ALA HA H 1 4.851 0.025 . 1 . . . A 72 ALA HA . 17799 1 805 . 1 1 94 94 ALA HB1 H 1 1.569 0.025 . 1 . . . A 72 ALA HB1 . 17799 1 806 . 1 1 94 94 ALA HB2 H 1 1.569 0.025 . 1 . . . A 72 ALA HB2 . 17799 1 807 . 1 1 94 94 ALA HB3 H 1 1.569 0.025 . 1 . . . A 72 ALA HB3 . 17799 1 808 . 1 1 94 94 ALA C C 13 175.415 0.16 . 1 . . . A 72 ALA C . 17799 1 809 . 1 1 94 94 ALA CA C 13 47.206 0.16 . 1 . . . A 72 ALA CA . 17799 1 810 . 1 1 94 94 ALA CB C 13 19.322 0.16 . 1 . . . A 72 ALA CB . 17799 1 811 . 1 1 94 94 ALA N N 15 123.731 0.12 . 1 . . . A 72 ALA N . 17799 1 812 . 1 1 95 95 ILE H H 1 8.644 0.025 . 1 . . . A 73 ILE H . 17799 1 813 . 1 1 95 95 ILE HA H 1 4.048 0.025 . 1 . . . A 73 ILE HA . 17799 1 814 . 1 1 95 95 ILE HB H 1 1.829 0.025 . 1 . . . A 73 ILE HB . 17799 1 815 . 1 1 95 95 ILE HG12 H 1 1.410 0.025 . 2 . . . A 73 ILE HG12 . 17799 1 816 . 1 1 95 95 ILE HG13 H 1 1.127 0.025 . 2 . . . A 73 ILE HG13 . 17799 1 817 . 1 1 95 95 ILE HG21 H 1 0.889 0.025 . 1 . . . A 73 ILE HG21 . 17799 1 818 . 1 1 95 95 ILE HG22 H 1 0.889 0.025 . 1 . . . A 73 ILE HG22 . 17799 1 819 . 1 1 95 95 ILE HG23 H 1 0.889 0.025 . 1 . . . A 73 ILE HG23 . 17799 1 820 . 1 1 95 95 ILE C C 13 173.411 0.16 . 1 . . . A 73 ILE C . 17799 1 821 . 1 1 95 95 ILE CA C 13 60.058 0.16 . 1 . . . A 73 ILE CA . 17799 1 822 . 1 1 95 95 ILE CB C 13 36.159 0.16 . 1 . . . A 73 ILE CB . 17799 1 823 . 1 1 95 95 ILE CG1 C 13 24.962 0.16 . 1 . . . A 73 ILE CG1 . 17799 1 824 . 1 1 95 95 ILE CG2 C 13 15.639 0.16 . 1 . . . A 73 ILE CG2 . 17799 1 825 . 1 1 95 95 ILE N N 15 120.084 0.12 . 1 . . . A 73 ILE N . 17799 1 826 . 1 1 96 96 GLU H H 1 7.307 0.025 . 1 . . . A 74 GLU H . 17799 1 827 . 1 1 96 96 GLU HA H 1 4.873 0.025 . 1 . . . A 74 GLU HA . 17799 1 828 . 1 1 96 96 GLU HB2 H 1 2.071 0.025 . 2 . . . A 74 GLU HB2 . 17799 1 829 . 1 1 96 96 GLU HB3 H 1 1.897 0.025 . 2 . . . A 74 GLU HB3 . 17799 1 830 . 1 1 96 96 GLU HG2 H 1 2.162 0.025 . 2 . . . A 74 GLU HG2 . 17799 1 831 . 1 1 96 96 GLU HG3 H 1 2.310 0.025 . 2 . . . A 74 GLU HG3 . 17799 1 832 . 1 1 96 96 GLU C C 13 171.058 0.16 . 1 . . . A 74 GLU C . 17799 1 833 . 1 1 96 96 GLU CA C 13 52.340 0.16 . 1 . . . A 74 GLU CA . 17799 1 834 . 1 1 96 96 GLU CB C 13 31.974 0.16 . 1 . . . A 74 GLU CB . 17799 1 835 . 1 1 96 96 GLU CG C 13 34.522 0.16 . 1 . . . A 74 GLU CG . 17799 1 836 . 1 1 96 96 GLU N N 15 115.137 0.12 . 1 . . . A 74 GLU N . 17799 1 837 . 1 1 97 97 PHE H H 1 8.676 0.025 . 1 . . . A 75 PHE H . 17799 1 838 . 1 1 97 97 PHE HA H 1 5.168 0.025 . 1 . . . A 75 PHE HA . 17799 1 839 . 1 1 97 97 PHE HB2 H 1 1.600 0.025 . 2 . . . A 75 PHE HB2 . 17799 1 840 . 1 1 97 97 PHE HB3 H 1 1.650 0.025 . 2 . . . A 75 PHE HB3 . 17799 1 841 . 1 1 97 97 PHE HD1 H 1 6.670 0.025 . 3 . . . A 75 PHE HD1 . 17799 1 842 . 1 1 97 97 PHE HD2 H 1 6.670 0.025 . 3 . . . A 75 PHE HD2 . 17799 1 843 . 1 1 97 97 PHE HE1 H 1 7.001 0.025 . 3 . . . A 75 PHE HE1 . 17799 1 844 . 1 1 97 97 PHE HE2 H 1 7.001 0.025 . 3 . . . A 75 PHE HE2 . 17799 1 845 . 1 1 97 97 PHE C C 13 169.397 0.16 . 1 . . . A 75 PHE C . 17799 1 846 . 1 1 97 97 PHE CA C 13 53.414 0.16 . 1 . . . A 75 PHE CA . 17799 1 847 . 1 1 97 97 PHE CB C 13 39.926 0.16 . 1 . . . A 75 PHE CB . 17799 1 848 . 1 1 97 97 PHE CD1 C 13 127.491 0.16 . 3 . . . A 75 PHE CD1 . 17799 1 849 . 1 1 97 97 PHE CD2 C 13 127.491 0.16 . 3 . . . A 75 PHE CD2 . 17799 1 850 . 1 1 97 97 PHE CE1 C 13 129.512 0.16 . 3 . . . A 75 PHE CE1 . 17799 1 851 . 1 1 97 97 PHE CE2 C 13 129.512 0.16 . 3 . . . A 75 PHE CE2 . 17799 1 852 . 1 1 97 97 PHE N N 15 124.371 0.12 . 1 . . . A 75 PHE N . 17799 1 853 . 1 1 98 98 ALA H H 1 8.532 0.025 . 1 . . . A 76 ALA H . 17799 1 854 . 1 1 98 98 ALA HA H 1 4.970 0.025 . 1 . . . A 76 ALA HA . 17799 1 855 . 1 1 98 98 ALA HB1 H 1 1.272 0.025 . 1 . . . A 76 ALA HB1 . 17799 1 856 . 1 1 98 98 ALA HB2 H 1 1.272 0.025 . 1 . . . A 76 ALA HB2 . 17799 1 857 . 1 1 98 98 ALA HB3 H 1 1.272 0.025 . 1 . . . A 76 ALA HB3 . 17799 1 858 . 1 1 98 98 ALA C C 13 172.137 0.16 . 1 . . . A 76 ALA C . 17799 1 859 . 1 1 98 98 ALA CA C 13 47.934 0.16 . 1 . . . A 76 ALA CA . 17799 1 860 . 1 1 98 98 ALA CB C 13 20.513 0.16 . 1 . . . A 76 ALA CB . 17799 1 861 . 1 1 98 98 ALA N N 15 128.570 0.12 . 1 . . . A 76 ALA N . 17799 1 862 . 1 1 99 99 VAL H H 1 8.146 0.025 . 1 . . . A 77 VAL H . 17799 1 863 . 1 1 99 99 VAL HA H 1 4.689 0.025 . 1 . . . A 77 VAL HA . 17799 1 864 . 1 1 99 99 VAL HB H 1 1.738 0.025 . 1 . . . A 77 VAL HB . 17799 1 865 . 1 1 99 99 VAL HG11 H 1 0.564 0.025 . 2 . . . A 77 VAL HG11 . 17799 1 866 . 1 1 99 99 VAL HG12 H 1 0.564 0.025 . 2 . . . A 77 VAL HG12 . 17799 1 867 . 1 1 99 99 VAL HG13 H 1 0.564 0.025 . 2 . . . A 77 VAL HG13 . 17799 1 868 . 1 1 99 99 VAL HG21 H 1 0.605 0.025 . 2 . . . A 77 VAL HG21 . 17799 1 869 . 1 1 99 99 VAL HG22 H 1 0.605 0.025 . 2 . . . A 77 VAL HG22 . 17799 1 870 . 1 1 99 99 VAL HG23 H 1 0.605 0.025 . 2 . . . A 77 VAL HG23 . 17799 1 871 . 1 1 99 99 VAL C C 13 171.029 0.16 . 1 . . . A 77 VAL C . 17799 1 872 . 1 1 99 99 VAL CA C 13 57.864 0.16 . 1 . . . A 77 VAL CA . 17799 1 873 . 1 1 99 99 VAL CB C 13 32.848 0.16 . 1 . . . A 77 VAL CB . 17799 1 874 . 1 1 99 99 VAL CG1 C 13 18.483 0.16 . 2 . . . A 77 VAL CG1 . 17799 1 875 . 1 1 99 99 VAL CG2 C 13 18.483 0.16 . 2 . . . A 77 VAL CG2 . 17799 1 876 . 1 1 99 99 VAL N N 15 119.106 0.12 . 1 . . . A 77 VAL N . 17799 1 877 . 1 1 100 100 SER H H 1 8.949 0.025 . 1 . . . A 78 SER H . 17799 1 878 . 1 1 100 100 SER HA H 1 5.202 0.025 . 1 . . . A 78 SER HA . 17799 1 879 . 1 1 100 100 SER HB2 H 1 3.847 0.025 . 2 . . . A 78 SER HB2 . 17799 1 880 . 1 1 100 100 SER HB3 H 1 3.847 0.025 . 2 . . . A 78 SER HB3 . 17799 1 881 . 1 1 100 100 SER C C 13 170.109 0.16 . 1 . . . A 78 SER C . 17799 1 882 . 1 1 100 100 SER CA C 13 53.416 0.16 . 1 . . . A 78 SER CA . 17799 1 883 . 1 1 100 100 SER CB C 13 63.576 0.16 . 1 . . . A 78 SER CB . 17799 1 884 . 1 1 100 100 SER N N 15 121.259 0.12 . 1 . . . A 78 SER N . 17799 1 885 . 1 1 101 101 GLY H H 1 8.391 0.025 . 1 . . . A 79 GLY H . 17799 1 886 . 1 1 101 101 GLY HA2 H 1 4.658 0.025 . 2 . . . A 79 GLY HA2 . 17799 1 887 . 1 1 101 101 GLY HA3 H 1 4.431 0.025 . 2 . . . A 79 GLY HA3 . 17799 1 888 . 1 1 101 101 GLY C C 13 169.180 0.16 . 1 . . . A 79 GLY C . 17799 1 889 . 1 1 101 101 GLY CA C 13 43.754 0.16 . 1 . . . A 79 GLY CA . 17799 1 890 . 1 1 101 101 GLY N N 15 108.027 0.12 . 1 . . . A 79 GLY N . 17799 1 891 . 1 1 102 102 GLY H H 1 8.882 0.025 . 1 . . . A 80 GLY H . 17799 1 892 . 1 1 102 102 GLY HA2 H 1 3.991 0.025 . 2 . . . A 80 GLY HA2 . 17799 1 893 . 1 1 102 102 GLY HA3 H 1 4.193 0.025 . 2 . . . A 80 GLY HA3 . 17799 1 894 . 1 1 102 102 GLY CA C 13 42.887 0.16 . 1 . . . A 80 GLY CA . 17799 1 895 . 1 1 102 102 GLY N N 15 106.273 0.12 . 1 . . . A 80 GLY N . 17799 1 896 . 1 1 103 103 VAL H H 1 7.386 0.025 . 1 . . . A 81 VAL H . 17799 1 897 . 1 1 103 103 VAL HA H 1 4.873 0.025 . 1 . . . A 81 VAL HA . 17799 1 898 . 1 1 103 103 VAL HG11 H 1 -0.550 0.025 . 2 . . . A 81 VAL HG11 . 17799 1 899 . 1 1 103 103 VAL HG12 H 1 -0.550 0.025 . 2 . . . A 81 VAL HG12 . 17799 1 900 . 1 1 103 103 VAL HG13 H 1 -0.550 0.025 . 2 . . . A 81 VAL HG13 . 17799 1 901 . 1 1 103 103 VAL HG21 H 1 -0.118 0.025 . 2 . . . A 81 VAL HG21 . 17799 1 902 . 1 1 103 103 VAL HG22 H 1 -0.118 0.025 . 2 . . . A 81 VAL HG22 . 17799 1 903 . 1 1 103 103 VAL HG23 H 1 -0.118 0.025 . 2 . . . A 81 VAL HG23 . 17799 1 904 . 1 1 103 103 VAL C C 13 172.028 0.16 . 1 . . . A 81 VAL C . 17799 1 905 . 1 1 103 103 VAL CA C 13 56.688 0.16 . 1 . . . A 81 VAL CA . 17799 1 906 . 1 1 103 103 VAL CB C 13 32.988 0.16 . 1 . . . A 81 VAL CB . 17799 1 907 . 1 1 103 103 VAL CG1 C 13 17.660 0.16 . 2 . . . A 81 VAL CG1 . 17799 1 908 . 1 1 103 103 VAL CG2 C 13 19.445 0.16 . 2 . . . A 81 VAL CG2 . 17799 1 909 . 1 1 103 103 VAL N N 15 114.501 0.12 . 1 . . . A 81 VAL N . 17799 1 910 . 1 1 104 104 VAL H H 1 8.576 0.025 . 1 . . . A 82 VAL H . 17799 1 911 . 1 1 104 104 VAL HA H 1 4.293 0.025 . 1 . . . A 82 VAL HA . 17799 1 912 . 1 1 104 104 VAL HB H 1 1.951 0.025 . 1 . . . A 82 VAL HB . 17799 1 913 . 1 1 104 104 VAL HG11 H 1 0.687 0.025 . 2 . . . A 82 VAL HG11 . 17799 1 914 . 1 1 104 104 VAL HG12 H 1 0.687 0.025 . 2 . . . A 82 VAL HG12 . 17799 1 915 . 1 1 104 104 VAL HG13 H 1 0.687 0.025 . 2 . . . A 82 VAL HG13 . 17799 1 916 . 1 1 104 104 VAL HG21 H 1 0.812 0.025 . 2 . . . A 82 VAL HG21 . 17799 1 917 . 1 1 104 104 VAL HG22 H 1 0.812 0.025 . 2 . . . A 82 VAL HG22 . 17799 1 918 . 1 1 104 104 VAL HG23 H 1 0.812 0.025 . 2 . . . A 82 VAL HG23 . 17799 1 919 . 1 1 104 104 VAL C C 13 171.834 0.16 . 1 . . . A 82 VAL C . 17799 1 920 . 1 1 104 104 VAL CA C 13 57.605 0.16 . 1 . . . A 82 VAL CA . 17799 1 921 . 1 1 104 104 VAL CB C 13 33.091 0.16 . 1 . . . A 82 VAL CB . 17799 1 922 . 1 1 104 104 VAL CG1 C 13 18.422 0.16 . 2 . . . A 82 VAL CG1 . 17799 1 923 . 1 1 104 104 VAL CG2 C 13 18.641 0.16 . 2 . . . A 82 VAL CG2 . 17799 1 924 . 1 1 104 104 VAL N N 15 120.003 0.12 . 1 . . . A 82 VAL N . 17799 1 925 . 1 1 105 105 ASP H H 1 8.350 0.025 . 1 . . . A 83 ASP H . 17799 1 926 . 1 1 105 105 ASP HB2 H 1 2.490 0.025 . 2 . . . A 83 ASP HB2 . 17799 1 927 . 1 1 105 105 ASP HB3 H 1 2.680 0.025 . 2 . . . A 83 ASP HB3 . 17799 1 928 . 1 1 105 105 ASP CA C 13 51.770 0.16 . 1 . . . A 83 ASP CA . 17799 1 929 . 1 1 105 105 ASP CB C 13 38.270 0.16 . 1 . . . A 83 ASP CB . 17799 1 930 . 1 1 105 105 ASP N N 15 122.944 0.12 . 1 . . . A 83 ASP N . 17799 1 931 . 1 1 106 106 GLY H H 1 8.141 0.025 . 1 . . . A 84 GLY H . 17799 1 932 . 1 1 106 106 GLY HA2 H 1 4.035 0.025 . 2 . . . A 84 GLY HA2 . 17799 1 933 . 1 1 106 106 GLY HA3 H 1 3.644 0.025 . 2 . . . A 84 GLY HA3 . 17799 1 934 . 1 1 106 106 GLY CA C 13 42.715 0.16 . 1 . . . A 84 GLY CA . 17799 1 935 . 1 1 106 106 GLY N N 15 110.376 0.12 . 1 . . . A 84 GLY N . 17799 1 936 . 1 1 107 107 GLU H H 1 8.397 0.025 . 1 . . . A 85 GLU H . 17799 1 937 . 1 1 107 107 GLU HA H 1 4.220 0.025 . 1 . . . A 85 GLU HA . 17799 1 938 . 1 1 107 107 GLU HB2 H 1 1.843 0.025 . 2 . . . A 85 GLU HB2 . 17799 1 939 . 1 1 107 107 GLU HB3 H 1 1.921 0.025 . 2 . . . A 85 GLU HB3 . 17799 1 940 . 1 1 107 107 GLU HG2 H 1 2.094 0.025 . 2 . . . A 85 GLU HG2 . 17799 1 941 . 1 1 107 107 GLU CB C 13 27.417 0.16 . 1 . . . A 85 GLU CB . 17799 1 942 . 1 1 107 107 GLU CG C 13 33.212 0.16 . 1 . . . A 85 GLU CG . 17799 1 943 . 1 1 107 107 GLU N N 15 119.976 0.12 . 1 . . . A 85 GLU N . 17799 1 944 . 1 1 113 113 GLU H H 1 8.570 0.025 . 1 . . . A 91 GLU H . 17799 1 945 . 1 1 113 113 GLU HA H 1 4.618 0.025 . 1 . . . A 91 GLU HA . 17799 1 946 . 1 1 113 113 GLU HB2 H 1 2.198 0.025 . 2 . . . A 91 GLU HB2 . 17799 1 947 . 1 1 113 113 GLU HB3 H 1 1.849 0.025 . 2 . . . A 91 GLU HB3 . 17799 1 948 . 1 1 113 113 GLU HG2 H 1 2.262 0.025 . 2 . . . A 91 GLU HG2 . 17799 1 949 . 1 1 113 113 GLU HG3 H 1 2.342 0.025 . 2 . . . A 91 GLU HG3 . 17799 1 950 . 1 1 113 113 GLU CA C 13 51.690 0.16 . 1 . . . A 91 GLU CA . 17799 1 951 . 1 1 113 113 GLU CB C 13 27.390 0.16 . 1 . . . A 91 GLU CB . 17799 1 952 . 1 1 113 113 GLU CG C 13 33.814 0.16 . 1 . . . A 91 GLU CG . 17799 1 953 . 1 1 113 113 GLU N N 15 121.821 0.12 . 1 . . . A 91 GLU N . 17799 1 954 . 1 1 114 114 PRO HA H 1 4.551 0.025 . 1 . . . A 92 PRO HA . 17799 1 955 . 1 1 114 114 PRO HB3 H 1 2.093 0.025 . 2 . . . A 92 PRO HB3 . 17799 1 956 . 1 1 114 114 PRO HG2 H 1 1.960 0.025 . 2 . . . A 92 PRO HG2 . 17799 1 957 . 1 1 114 114 PRO HG3 H 1 1.885 0.025 . 2 . . . A 92 PRO HG3 . 17799 1 958 . 1 1 114 114 PRO HD2 H 1 3.629 0.025 . 2 . . . A 92 PRO HD2 . 17799 1 959 . 1 1 114 114 PRO HD3 H 1 3.759 0.025 . 2 . . . A 92 PRO HD3 . 17799 1 960 . 1 1 114 114 PRO CA C 13 57.494 0.16 . 1 . . . A 92 PRO CA . 17799 1 961 . 1 1 114 114 PRO CB C 13 30.476 0.16 . 1 . . . A 92 PRO CB . 17799 1 962 . 1 1 114 114 PRO CG C 13 25.267 0.16 . 1 . . . A 92 PRO CG . 17799 1 963 . 1 1 114 114 PRO CD C 13 47.570 0.16 . 1 . . . A 92 PRO CD . 17799 1 964 . 1 1 115 115 MET H H 1 8.210 0.025 . 1 . . . A 93 MET H . 17799 1 965 . 1 1 115 115 MET HA H 1 5.130 0.025 . 1 . . . A 93 MET HA . 17799 1 966 . 1 1 115 115 MET HB2 H 1 1.918 0.025 . 2 . . . A 93 MET HB2 . 17799 1 967 . 1 1 115 115 MET HB3 H 1 1.415 0.025 . 2 . . . A 93 MET HB3 . 17799 1 968 . 1 1 115 115 MET HG2 H 1 2.746 0.025 . 2 . . . A 93 MET HG2 . 17799 1 969 . 1 1 115 115 MET C C 13 170.262 0.16 . 1 . . . A 93 MET C . 17799 1 970 . 1 1 115 115 MET CA C 13 51.993 0.16 . 1 . . . A 93 MET CA . 17799 1 971 . 1 1 115 115 MET CB C 13 33.828 0.16 . 1 . . . A 93 MET CB . 17799 1 972 . 1 1 115 115 MET CG C 13 36.481 0.16 . 1 . . . A 93 MET CG . 17799 1 973 . 1 1 115 115 MET CE C 13 14.627 0.16 . 1 . . . A 93 MET CE . 17799 1 974 . 1 1 116 116 GLN H H 1 8.216 0.025 . 1 . . . A 94 GLN H . 17799 1 975 . 1 1 116 116 GLN HA H 1 5.300 0.025 . 1 . . . A 94 GLN HA . 17799 1 976 . 1 1 116 116 GLN HB2 H 1 1.891 0.025 . 2 . . . A 94 GLN HB2 . 17799 1 977 . 1 1 116 116 GLN HB3 H 1 1.800 0.025 . 2 . . . A 94 GLN HB3 . 17799 1 978 . 1 1 116 116 GLN HG2 H 1 2.076 0.025 . 2 . . . A 94 GLN HG2 . 17799 1 979 . 1 1 116 116 GLN HG3 H 1 2.076 0.025 . 2 . . . A 94 GLN HG3 . 17799 1 980 . 1 1 116 116 GLN HE21 H 1 6.622 0.025 . 2 . . . A 94 GLN HE21 . 17799 1 981 . 1 1 116 116 GLN HE22 H 1 6.582 0.025 . 2 . . . A 94 GLN HE22 . 17799 1 982 . 1 1 116 116 GLN C C 13 171.762 0.16 . 1 . . . A 94 GLN C . 17799 1 983 . 1 1 116 116 GLN CA C 13 51.480 0.16 . 1 . . . A 94 GLN CA . 17799 1 984 . 1 1 116 116 GLN CB C 13 29.955 0.16 . 1 . . . A 94 GLN CB . 17799 1 985 . 1 1 116 116 GLN CG C 13 32.159 0.16 . 1 . . . A 94 GLN CG . 17799 1 986 . 1 1 116 116 GLN N N 15 119.670 0.12 . 1 . . . A 94 GLN N . 17799 1 987 . 1 1 116 116 GLN NE2 N 15 109.436 0.12 . 1 . . . A 94 GLN NE2 . 17799 1 988 . 1 1 117 117 TRP H H 1 9.015 0.025 . 1 . . . A 95 TRP H . 17799 1 989 . 1 1 117 117 TRP HA H 1 5.646 0.025 . 1 . . . A 95 TRP HA . 17799 1 990 . 1 1 117 117 TRP HB2 H 1 2.770 0.025 . 2 . . . A 95 TRP HB2 . 17799 1 991 . 1 1 117 117 TRP HB3 H 1 3.136 0.025 . 2 . . . A 95 TRP HB3 . 17799 1 992 . 1 1 117 117 TRP HE1 H 1 11.216 0.025 . 1 . . . A 95 TRP HE1 . 17799 1 993 . 1 1 117 117 TRP HE3 H 1 7.147 0.025 . 1 . . . A 95 TRP HE3 . 17799 1 994 . 1 1 117 117 TRP HZ2 H 1 7.055 0.025 . 1 . . . A 95 TRP HZ2 . 17799 1 995 . 1 1 117 117 TRP C C 13 173.377 0.16 . 1 . . . A 95 TRP C . 17799 1 996 . 1 1 117 117 TRP CA C 13 50.157 0.16 . 1 . . . A 95 TRP CA . 17799 1 997 . 1 1 117 117 TRP CB C 13 32.201 0.16 . 1 . . . A 95 TRP CB . 17799 1 998 . 1 1 117 117 TRP CE3 C 13 126.640 0.16 . 1 . . . A 95 TRP CE3 . 17799 1 999 . 1 1 117 117 TRP CZ2 C 13 118.543 0.16 . 1 . . . A 95 TRP CZ2 . 17799 1 1000 . 1 1 117 117 TRP N N 15 123.784 0.12 . 1 . . . A 95 TRP N . 17799 1 1001 . 1 1 117 117 TRP NE1 N 15 129.890 0.12 . 1 . . . A 95 TRP NE1 . 17799 1 1002 . 1 1 118 118 VAL H H 1 8.818 0.025 . 1 . . . A 96 VAL H . 17799 1 1003 . 1 1 118 118 VAL HA H 1 4.858 0.025 . 1 . . . A 96 VAL HA . 17799 1 1004 . 1 1 118 118 VAL HB H 1 1.866 0.025 . 1 . . . A 96 VAL HB . 17799 1 1005 . 1 1 118 118 VAL HG11 H 1 0.684 0.025 . 2 . . . A 96 VAL HG11 . 17799 1 1006 . 1 1 118 118 VAL HG12 H 1 0.684 0.025 . 2 . . . A 96 VAL HG12 . 17799 1 1007 . 1 1 118 118 VAL HG13 H 1 0.684 0.025 . 2 . . . A 96 VAL HG13 . 17799 1 1008 . 1 1 118 118 VAL HG21 H 1 0.875 0.025 . 2 . . . A 96 VAL HG21 . 17799 1 1009 . 1 1 118 118 VAL HG22 H 1 0.875 0.025 . 2 . . . A 96 VAL HG22 . 17799 1 1010 . 1 1 118 118 VAL HG23 H 1 0.875 0.025 . 2 . . . A 96 VAL HG23 . 17799 1 1011 . 1 1 118 118 VAL C C 13 173.903 0.16 . 1 . . . A 96 VAL C . 17799 1 1012 . 1 1 118 118 VAL CA C 13 59.734 0.16 . 1 . . . A 96 VAL CA . 17799 1 1013 . 1 1 118 118 VAL CB C 13 30.795 0.16 . 1 . . . A 96 VAL CB . 17799 1 1014 . 1 1 118 118 VAL CG1 C 13 18.423 0.16 . 2 . . . A 96 VAL CG1 . 17799 1 1015 . 1 1 118 118 VAL CG2 C 13 18.423 0.16 . 2 . . . A 96 VAL CG2 . 17799 1 1016 . 1 1 118 118 VAL N N 15 120.803 0.12 . 1 . . . A 96 VAL N . 17799 1 1017 . 1 1 119 119 VAL H H 1 9.495 0.025 . 1 . . . A 97 VAL H . 17799 1 1018 . 1 1 119 119 VAL HA H 1 4.950 0.025 . 1 . . . A 97 VAL HA . 17799 1 1019 . 1 1 119 119 VAL HB H 1 1.843 0.025 . 1 . . . A 97 VAL HB . 17799 1 1020 . 1 1 119 119 VAL HG11 H 1 0.684 0.025 . 2 . . . A 97 VAL HG11 . 17799 1 1021 . 1 1 119 119 VAL HG12 H 1 0.684 0.025 . 2 . . . A 97 VAL HG12 . 17799 1 1022 . 1 1 119 119 VAL HG13 H 1 0.684 0.025 . 2 . . . A 97 VAL HG13 . 17799 1 1023 . 1 1 119 119 VAL HG21 H 1 0.630 0.025 . 2 . . . A 97 VAL HG21 . 17799 1 1024 . 1 1 119 119 VAL HG22 H 1 0.630 0.025 . 2 . . . A 97 VAL HG22 . 17799 1 1025 . 1 1 119 119 VAL HG23 H 1 0.630 0.025 . 2 . . . A 97 VAL HG23 . 17799 1 1026 . 1 1 119 119 VAL C C 13 171.486 0.16 . 1 . . . A 97 VAL C . 17799 1 1027 . 1 1 119 119 VAL CA C 13 58.108 0.16 . 1 . . . A 97 VAL CA . 17799 1 1028 . 1 1 119 119 VAL CB C 13 30.919 0.16 . 1 . . . A 97 VAL CB . 17799 1 1029 . 1 1 119 119 VAL CG1 C 13 18.352 0.16 . 2 . . . A 97 VAL CG1 . 17799 1 1030 . 1 1 119 119 VAL N N 15 132.912 0.12 . 1 . . . A 97 VAL N . 17799 1 1031 . 1 1 120 120 THR H H 1 8.873 0.025 . 1 . . . A 98 THR H . 17799 1 1032 . 1 1 120 120 THR HA H 1 5.002 0.025 . 1 . . . A 98 THR HA . 17799 1 1033 . 1 1 120 120 THR HB H 1 3.929 0.025 . 1 . . . A 98 THR HB . 17799 1 1034 . 1 1 120 120 THR HG21 H 1 0.740 0.025 . 1 . . . A 98 THR HG21 . 17799 1 1035 . 1 1 120 120 THR HG22 H 1 0.740 0.025 . 1 . . . A 98 THR HG22 . 17799 1 1036 . 1 1 120 120 THR HG23 H 1 0.740 0.025 . 1 . . . A 98 THR HG23 . 17799 1 1037 . 1 1 120 120 THR C C 13 170.006 0.16 . 1 . . . A 98 THR C . 17799 1 1038 . 1 1 120 120 THR CA C 13 58.812 0.16 . 1 . . . A 98 THR CA . 17799 1 1039 . 1 1 120 120 THR CB C 13 66.788 0.16 . 1 . . . A 98 THR CB . 17799 1 1040 . 1 1 120 120 THR CG2 C 13 18.466 0.16 . 1 . . . A 98 THR CG2 . 17799 1 1041 . 1 1 120 120 THR N N 15 123.715 0.12 . 1 . . . A 98 THR N . 17799 1 1042 . 1 1 121 121 VAL H H 1 8.597 0.025 . 1 . . . A 99 VAL H . 17799 1 1043 . 1 1 121 121 VAL HA H 1 4.896 0.025 . 1 . . . A 99 VAL HA . 17799 1 1044 . 1 1 121 121 VAL HB H 1 1.652 0.025 . 1 . . . A 99 VAL HB . 17799 1 1045 . 1 1 121 121 VAL HG11 H 1 0.937 0.025 . 2 . . . A 99 VAL HG11 . 17799 1 1046 . 1 1 121 121 VAL HG12 H 1 0.937 0.025 . 2 . . . A 99 VAL HG12 . 17799 1 1047 . 1 1 121 121 VAL HG13 H 1 0.937 0.025 . 2 . . . A 99 VAL HG13 . 17799 1 1048 . 1 1 121 121 VAL C C 13 171.395 0.16 . 1 . . . A 99 VAL C . 17799 1 1049 . 1 1 121 121 VAL CA C 13 58.295 0.16 . 1 . . . A 99 VAL CA . 17799 1 1050 . 1 1 121 121 VAL CB C 13 31.686 0.16 . 1 . . . A 99 VAL CB . 17799 1 1051 . 1 1 121 121 VAL CG1 C 13 18.539 0.16 . 2 . . . A 99 VAL CG1 . 17799 1 1052 . 1 1 121 121 VAL N N 15 124.895 0.12 . 1 . . . A 99 VAL N . 17799 1 1053 . 1 1 122 122 TYR H H 1 9.330 0.025 . 1 . . . A 100 TYR H . 17799 1 1054 . 1 1 122 122 TYR HA H 1 4.957 0.025 . 1 . . . A 100 TYR HA . 17799 1 1055 . 1 1 122 122 TYR HB2 H 1 2.167 0.025 . 2 . . . A 100 TYR HB2 . 17799 1 1056 . 1 1 122 122 TYR HB3 H 1 2.621 0.025 . 2 . . . A 100 TYR HB3 . 17799 1 1057 . 1 1 122 122 TYR HD1 H 1 6.604 0.025 . 3 . . . A 100 TYR HD1 . 17799 1 1058 . 1 1 122 122 TYR HD2 H 1 6.604 0.025 . 3 . . . A 100 TYR HD2 . 17799 1 1059 . 1 1 122 122 TYR HE1 H 1 6.587 0.025 . 3 . . . A 100 TYR HE1 . 17799 1 1060 . 1 1 122 122 TYR HE2 H 1 6.587 0.025 . 3 . . . A 100 TYR HE2 . 17799 1 1061 . 1 1 122 122 TYR C C 13 171.679 0.16 . 1 . . . A 100 TYR C . 17799 1 1062 . 1 1 122 122 TYR CA C 13 52.787 0.16 . 1 . . . A 100 TYR CA . 17799 1 1063 . 1 1 122 122 TYR CB C 13 38.812 0.16 . 1 . . . A 100 TYR CB . 17799 1 1064 . 1 1 122 122 TYR CD1 C 13 128.460 0.16 . 3 . . . A 100 TYR CD1 . 17799 1 1065 . 1 1 122 122 TYR CD2 C 13 128.460 0.16 . 3 . . . A 100 TYR CD2 . 17799 1 1066 . 1 1 122 122 TYR CE1 C 13 113.438 0.16 . 3 . . . A 100 TYR CE1 . 17799 1 1067 . 1 1 122 122 TYR CE2 C 13 113.438 0.16 . 3 . . . A 100 TYR CE2 . 17799 1 1068 . 1 1 122 122 TYR N N 15 126.233 0.12 . 1 . . . A 100 TYR N . 17799 1 1069 . 1 1 123 123 LYS H H 1 8.893 0.025 . 1 . . . A 101 LYS H . 17799 1 1070 . 1 1 123 123 LYS HA H 1 4.537 0.025 . 1 . . . A 101 LYS HA . 17799 1 1071 . 1 1 123 123 LYS HB2 H 1 1.462 0.025 . 2 . . . A 101 LYS HB2 . 17799 1 1072 . 1 1 123 123 LYS HB3 H 1 1.067 0.025 . 2 . . . A 101 LYS HB3 . 17799 1 1073 . 1 1 123 123 LYS HG2 H 1 0.230 0.025 . 2 . . . A 101 LYS HG2 . 17799 1 1074 . 1 1 123 123 LYS HG3 H 1 0.463 0.025 . 2 . . . A 101 LYS HG3 . 17799 1 1075 . 1 1 123 123 LYS HD3 H 1 1.395 0.025 . 2 . . . A 101 LYS HD3 . 17799 1 1076 . 1 1 123 123 LYS HE2 H 1 2.589 0.025 . 2 . . . A 101 LYS HE2 . 17799 1 1077 . 1 1 123 123 LYS HE3 H 1 2.539 0.025 . 2 . . . A 101 LYS HE3 . 17799 1 1078 . 1 1 123 123 LYS C C 13 173.797 0.16 . 1 . . . A 101 LYS C . 17799 1 1079 . 1 1 123 123 LYS CA C 13 51.051 0.16 . 1 . . . A 101 LYS CA . 17799 1 1080 . 1 1 123 123 LYS CB C 13 33.769 0.16 . 1 . . . A 101 LYS CB . 17799 1 1081 . 1 1 123 123 LYS CG C 13 22.743 0.16 . 1 . . . A 101 LYS CG . 17799 1 1082 . 1 1 123 123 LYS CD C 13 27.663 0.16 . 1 . . . A 101 LYS CD . 17799 1 1083 . 1 1 123 123 LYS CE C 13 39.615 0.16 . 1 . . . A 101 LYS CE . 17799 1 1084 . 1 1 123 123 LYS N N 15 122.654 0.12 . 1 . . . A 101 LYS N . 17799 1 1085 . 1 1 124 124 ASN H H 1 9.606 0.025 . 1 . . . A 102 ASN H . 17799 1 1086 . 1 1 124 124 ASN HA H 1 4.150 0.025 . 1 . . . A 102 ASN HA . 17799 1 1087 . 1 1 124 124 ASN HB2 H 1 2.877 0.025 . 2 . . . A 102 ASN HB2 . 17799 1 1088 . 1 1 124 124 ASN HB3 H 1 2.671 0.025 . 2 . . . A 102 ASN HB3 . 17799 1 1089 . 1 1 124 124 ASN HD21 H 1 7.204 0.025 . 2 . . . A 102 ASN HD21 . 17799 1 1090 . 1 1 124 124 ASN HD22 H 1 7.706 0.025 . 2 . . . A 102 ASN HD22 . 17799 1 1091 . 1 1 124 124 ASN C C 13 172.589 0.16 . 1 . . . A 102 ASN C . 17799 1 1092 . 1 1 124 124 ASN CA C 13 51.163 0.16 . 1 . . . A 102 ASN CA . 17799 1 1093 . 1 1 124 124 ASN CB C 13 34.324 0.16 . 1 . . . A 102 ASN CB . 17799 1 1094 . 1 1 124 124 ASN N N 15 128.471 0.12 . 1 . . . A 102 ASN N . 17799 1 1095 . 1 1 124 124 ASN ND2 N 15 115.017 0.12 . 1 . . . A 102 ASN ND2 . 17799 1 1096 . 1 1 125 125 GLY H H 1 8.876 0.025 . 1 . . . A 103 GLY H . 17799 1 1097 . 1 1 125 125 GLY HA2 H 1 3.985 0.025 . 2 . . . A 103 GLY HA2 . 17799 1 1098 . 1 1 125 125 GLY HA3 H 1 3.421 0.025 . 2 . . . A 103 GLY HA3 . 17799 1 1099 . 1 1 125 125 GLY C C 13 170.857 0.16 . 1 . . . A 103 GLY C . 17799 1 1100 . 1 1 125 125 GLY CA C 13 42.401 0.16 . 1 . . . A 103 GLY CA . 17799 1 1101 . 1 1 125 125 GLY N N 15 103.018 0.12 . 1 . . . A 103 GLY N . 17799 1 1102 . 1 1 126 126 LYS H H 1 7.624 0.025 . 1 . . . A 104 LYS H . 17799 1 1103 . 1 1 126 126 LYS HA H 1 4.604 0.025 . 1 . . . A 104 LYS HA . 17799 1 1104 . 1 1 126 126 LYS HB2 H 1 1.641 0.025 . 2 . . . A 104 LYS HB2 . 17799 1 1105 . 1 1 126 126 LYS HB3 H 1 1.727 0.025 . 2 . . . A 104 LYS HB3 . 17799 1 1106 . 1 1 126 126 LYS HG2 H 1 1.342 0.025 . 2 . . . A 104 LYS HG2 . 17799 1 1107 . 1 1 126 126 LYS HG3 H 1 1.267 0.025 . 2 . . . A 104 LYS HG3 . 17799 1 1108 . 1 1 126 126 LYS HD2 H 1 1.594 0.025 . 2 . . . A 104 LYS HD2 . 17799 1 1109 . 1 1 126 126 LYS HD3 H 1 1.594 0.025 . 2 . . . A 104 LYS HD3 . 17799 1 1110 . 1 1 126 126 LYS HE2 H 1 2.932 0.025 . 2 . . . A 104 LYS HE2 . 17799 1 1111 . 1 1 126 126 LYS HE3 H 1 2.932 0.025 . 2 . . . A 104 LYS HE3 . 17799 1 1112 . 1 1 126 126 LYS C C 13 172.667 0.16 . 1 . . . A 104 LYS C . 17799 1 1113 . 1 1 126 126 LYS CA C 13 51.464 0.16 . 1 . . . A 104 LYS CA . 17799 1 1114 . 1 1 126 126 LYS CB C 13 31.988 0.16 . 1 . . . A 104 LYS CB . 17799 1 1115 . 1 1 126 126 LYS CG C 13 22.026 0.16 . 1 . . . A 104 LYS CG . 17799 1 1116 . 1 1 126 126 LYS CD C 13 26.258 0.16 . 1 . . . A 104 LYS CD . 17799 1 1117 . 1 1 126 126 LYS CE C 13 39.714 0.16 . 1 . . . A 104 LYS CE . 17799 1 1118 . 1 1 126 126 LYS N N 15 120.773 0.12 . 1 . . . A 104 LYS N . 17799 1 1119 . 1 1 127 127 GLU H H 1 8.958 0.025 . 1 . . . A 105 GLU H . 17799 1 1120 . 1 1 127 127 GLU HA H 1 3.559 0.025 . 1 . . . A 105 GLU HA . 17799 1 1121 . 1 1 127 127 GLU HB2 H 1 1.654 0.025 . 2 . . . A 105 GLU HB2 . 17799 1 1122 . 1 1 127 127 GLU HB3 H 1 1.766 0.025 . 2 . . . A 105 GLU HB3 . 17799 1 1123 . 1 1 127 127 GLU HG2 H 1 1.525 0.025 . 2 . . . A 105 GLU HG2 . 17799 1 1124 . 1 1 127 127 GLU HG3 H 1 1.525 0.025 . 2 . . . A 105 GLU HG3 . 17799 1 1125 . 1 1 127 127 GLU C C 13 174.081 0.16 . 1 . . . A 105 GLU C . 17799 1 1126 . 1 1 127 127 GLU CA C 13 55.056 0.16 . 1 . . . A 105 GLU CA . 17799 1 1127 . 1 1 127 127 GLU CB C 13 27.528 0.16 . 1 . . . A 105 GLU CB . 17799 1 1128 . 1 1 127 127 GLU CG C 13 33.373 0.16 . 1 . . . A 105 GLU CG . 17799 1 1129 . 1 1 127 127 GLU N N 15 127.248 0.12 . 1 . . . A 105 GLU N . 17799 1 1130 . 1 1 128 128 ILE H H 1 8.948 0.025 . 1 . . . A 106 ILE H . 17799 1 1131 . 1 1 128 128 ILE HA H 1 4.599 0.025 . 1 . . . A 106 ILE HA . 17799 1 1132 . 1 1 128 128 ILE HB H 1 1.866 0.025 . 1 . . . A 106 ILE HB . 17799 1 1133 . 1 1 128 128 ILE HG12 H 1 0.647 0.025 . 2 . . . A 106 ILE HG12 . 17799 1 1134 . 1 1 128 128 ILE HG13 H 1 1.033 0.025 . 2 . . . A 106 ILE HG13 . 17799 1 1135 . 1 1 128 128 ILE HG21 H 1 0.802 0.025 . 1 . . . A 106 ILE HG21 . 17799 1 1136 . 1 1 128 128 ILE HG22 H 1 0.802 0.025 . 1 . . . A 106 ILE HG22 . 17799 1 1137 . 1 1 128 128 ILE HG23 H 1 0.802 0.025 . 1 . . . A 106 ILE HG23 . 17799 1 1138 . 1 1 128 128 ILE HD11 H 1 0.479 0.025 . 1 . . . A 106 ILE HD11 . 17799 1 1139 . 1 1 128 128 ILE HD12 H 1 0.479 0.025 . 1 . . . A 106 ILE HD12 . 17799 1 1140 . 1 1 128 128 ILE HD13 H 1 0.479 0.025 . 1 . . . A 106 ILE HD13 . 17799 1 1141 . 1 1 128 128 ILE C C 13 172.566 0.16 . 1 . . . A 106 ILE C . 17799 1 1142 . 1 1 128 128 ILE CA C 13 58.309 0.16 . 1 . . . A 106 ILE CA . 17799 1 1143 . 1 1 128 128 ILE CB C 13 38.121 0.16 . 1 . . . A 106 ILE CB . 17799 1 1144 . 1 1 128 128 ILE CG1 C 13 23.760 0.16 . 1 . . . A 106 ILE CG1 . 17799 1 1145 . 1 1 128 128 ILE CG2 C 13 16.165 0.16 . 1 . . . A 106 ILE CG2 . 17799 1 1146 . 1 1 128 128 ILE CD1 C 13 12.732 0.16 . 1 . . . A 106 ILE CD1 . 17799 1 1147 . 1 1 128 128 ILE N N 15 121.603 0.12 . 1 . . . A 106 ILE N . 17799 1 1148 . 1 1 129 129 GLU H H 1 7.456 0.025 . 1 . . . A 107 GLU H . 17799 1 1149 . 1 1 129 129 GLU HA H 1 4.364 0.025 . 1 . . . A 107 GLU HA . 17799 1 1150 . 1 1 129 129 GLU HB2 H 1 1.729 0.025 . 2 . . . A 107 GLU HB2 . 17799 1 1151 . 1 1 129 129 GLU HB3 H 1 2.227 0.025 . 2 . . . A 107 GLU HB3 . 17799 1 1152 . 1 1 129 129 GLU HG2 H 1 2.162 0.025 . 2 . . . A 107 GLU HG2 . 17799 1 1153 . 1 1 129 129 GLU HG3 H 1 2.215 0.025 . 2 . . . A 107 GLU HG3 . 17799 1 1154 . 1 1 129 129 GLU C C 13 170.170 0.16 . 1 . . . A 107 GLU C . 17799 1 1155 . 1 1 129 129 GLU CA C 13 54.289 0.16 . 1 . . . A 107 GLU CA . 17799 1 1156 . 1 1 129 129 GLU CB C 13 31.020 0.16 . 1 . . . A 107 GLU CB . 17799 1 1157 . 1 1 129 129 GLU CG C 13 33.909 0.16 . 1 . . . A 107 GLU CG . 17799 1 1158 . 1 1 129 129 GLU N N 15 123.254 0.12 . 1 . . . A 107 GLU N . 17799 1 1159 . 1 1 130 130 LYS H H 1 8.505 0.025 . 1 . . . A 108 LYS H . 17799 1 1160 . 1 1 130 130 LYS HA H 1 5.139 0.025 . 1 . . . A 108 LYS HA . 17799 1 1161 . 1 1 130 130 LYS HB2 H 1 1.612 0.025 . 2 . . . A 108 LYS HB2 . 17799 1 1162 . 1 1 130 130 LYS HB3 H 1 1.300 0.025 . 2 . . . A 108 LYS HB3 . 17799 1 1163 . 1 1 130 130 LYS HG2 H 1 2.166 0.025 . 2 . . . A 108 LYS HG2 . 17799 1 1164 . 1 1 130 130 LYS HG3 H 1 0.925 0.025 . 2 . . . A 108 LYS HG3 . 17799 1 1165 . 1 1 130 130 LYS HE2 H 1 2.739 0.025 . 2 . . . A 108 LYS HE2 . 17799 1 1166 . 1 1 130 130 LYS HE3 H 1 2.552 0.025 . 2 . . . A 108 LYS HE3 . 17799 1 1167 . 1 1 130 130 LYS C C 13 172.455 0.16 . 1 . . . A 108 LYS C . 17799 1 1168 . 1 1 130 130 LYS CA C 13 53.185 0.16 . 1 . . . A 108 LYS CA . 17799 1 1169 . 1 1 130 130 LYS CB C 13 31.683 0.16 . 1 . . . A 108 LYS CB . 17799 1 1170 . 1 1 130 130 LYS CG C 13 21.452 0.16 . 1 . . . A 108 LYS CG . 17799 1 1171 . 1 1 130 130 LYS CE C 13 37.652 0.16 . 1 . . . A 108 LYS CE . 17799 1 1172 . 1 1 130 130 LYS N N 15 126.686 0.12 . 1 . . . A 108 LYS N . 17799 1 1173 . 1 1 131 131 LYS H H 1 9.395 0.025 . 1 . . . A 109 LYS H . 17799 1 1174 . 1 1 131 131 LYS HA H 1 4.726 0.025 . 1 . . . A 109 LYS HA . 17799 1 1175 . 1 1 131 131 LYS HB2 H 1 1.575 0.025 . 2 . . . A 109 LYS HB2 . 17799 1 1176 . 1 1 131 131 LYS HB3 H 1 1.695 0.025 . 2 . . . A 109 LYS HB3 . 17799 1 1177 . 1 1 131 131 LYS HG3 H 1 1.341 0.025 . 2 . . . A 109 LYS HG3 . 17799 1 1178 . 1 1 131 131 LYS C C 13 171.583 0.16 . 1 . . . A 109 LYS C . 17799 1 1179 . 1 1 131 131 LYS CA C 13 51.355 0.16 . 1 . . . A 109 LYS CA . 17799 1 1180 . 1 1 131 131 LYS CB C 13 33.014 0.16 . 1 . . . A 109 LYS CB . 17799 1 1181 . 1 1 131 131 LYS CG C 13 22.162 0.16 . 1 . . . A 109 LYS CG . 17799 1 1182 . 1 1 131 131 LYS N N 15 128.275 0.12 . 1 . . . A 109 LYS N . 17799 1 1183 . 1 1 132 132 SER H H 1 8.617 0.025 . 1 . . . A 110 SER H . 17799 1 1184 . 1 1 132 132 SER HA H 1 5.465 0.025 . 1 . . . A 110 SER HA . 17799 1 1185 . 1 1 132 132 SER HB2 H 1 3.592 0.025 . 2 . . . A 110 SER HB2 . 17799 1 1186 . 1 1 132 132 SER HB3 H 1 3.657 0.025 . 2 . . . A 110 SER HB3 . 17799 1 1187 . 1 1 132 132 SER C C 13 171.012 0.16 . 1 . . . A 110 SER C . 17799 1 1188 . 1 1 132 132 SER CA C 13 54.022 0.16 . 1 . . . A 110 SER CA . 17799 1 1189 . 1 1 132 132 SER CB C 13 61.147 0.16 . 1 . . . A 110 SER CB . 17799 1 1190 . 1 1 132 132 SER N N 15 120.253 0.12 . 1 . . . A 110 SER N . 17799 1 1191 . 1 1 133 133 LEU H H 1 9.370 0.025 . 1 . . . A 111 LEU H . 17799 1 1192 . 1 1 133 133 LEU HA H 1 4.527 0.025 . 1 . . . A 111 LEU HA . 17799 1 1193 . 1 1 133 133 LEU HB2 H 1 1.429 0.025 . 2 . . . A 111 LEU HB2 . 17799 1 1194 . 1 1 133 133 LEU HB3 H 1 0.972 0.025 . 2 . . . A 111 LEU HB3 . 17799 1 1195 . 1 1 133 133 LEU HD11 H 1 0.999 0.025 . 2 . . . A 111 LEU HD11 . 17799 1 1196 . 1 1 133 133 LEU HD12 H 1 0.999 0.025 . 2 . . . A 111 LEU HD12 . 17799 1 1197 . 1 1 133 133 LEU HD13 H 1 0.999 0.025 . 2 . . . A 111 LEU HD13 . 17799 1 1198 . 1 1 133 133 LEU C C 13 171.412 0.16 . 1 . . . A 111 LEU C . 17799 1 1199 . 1 1 133 133 LEU CA C 13 51.477 0.16 . 1 . . . A 111 LEU CA . 17799 1 1200 . 1 1 133 133 LEU CB C 13 43.664 0.16 . 1 . . . A 111 LEU CB . 17799 1 1201 . 1 1 133 133 LEU CD1 C 13 25.145 0.16 . 2 . . . A 111 LEU CD1 . 17799 1 1202 . 1 1 133 133 LEU CD2 C 13 20.675 0.16 . 2 . . . A 111 LEU CD2 . 17799 1 1203 . 1 1 133 133 LEU N N 15 127.531 0.12 . 1 . . . A 111 LEU N . 17799 1 1204 . 1 1 134 134 VAL H H 1 7.991 0.025 . 1 . . . A 112 VAL H . 17799 1 1205 . 1 1 134 134 VAL HA H 1 4.536 0.025 . 1 . . . A 112 VAL HA . 17799 1 1206 . 1 1 134 134 VAL HB H 1 1.612 0.025 . 1 . . . A 112 VAL HB . 17799 1 1207 . 1 1 134 134 VAL HG21 H 1 0.708 0.025 . 2 . . . A 112 VAL HG21 . 17799 1 1208 . 1 1 134 134 VAL HG22 H 1 0.708 0.025 . 2 . . . A 112 VAL HG22 . 17799 1 1209 . 1 1 134 134 VAL HG23 H 1 0.708 0.025 . 2 . . . A 112 VAL HG23 . 17799 1 1210 . 1 1 134 134 VAL C C 13 171.827 0.16 . 1 . . . A 112 VAL C . 17799 1 1211 . 1 1 134 134 VAL CA C 13 57.996 0.16 . 1 . . . A 112 VAL CA . 17799 1 1212 . 1 1 134 134 VAL CB C 13 31.326 0.16 . 1 . . . A 112 VAL CB . 17799 1 1213 . 1 1 134 134 VAL CG2 C 13 18.551 0.16 . 2 . . . A 112 VAL CG2 . 17799 1 1214 . 1 1 134 134 VAL N N 15 121.823 0.12 . 1 . . . A 112 VAL N . 17799 1 1215 . 1 1 135 135 PHE H H 1 8.427 0.025 . 1 . . . A 113 PHE H . 17799 1 1216 . 1 1 135 135 PHE HA H 1 4.767 0.025 . 1 . . . A 113 PHE HA . 17799 1 1217 . 1 1 135 135 PHE HB2 H 1 1.764 0.025 . 2 . . . A 113 PHE HB2 . 17799 1 1218 . 1 1 135 135 PHE HB3 H 1 2.397 0.025 . 2 . . . A 113 PHE HB3 . 17799 1 1219 . 1 1 135 135 PHE HD1 H 1 6.480 0.025 . 3 . . . A 113 PHE HD1 . 17799 1 1220 . 1 1 135 135 PHE HD2 H 1 6.480 0.025 . 3 . . . A 113 PHE HD2 . 17799 1 1221 . 1 1 135 135 PHE HE1 H 1 6.579 0.025 . 3 . . . A 113 PHE HE1 . 17799 1 1222 . 1 1 135 135 PHE HE2 H 1 6.579 0.025 . 3 . . . A 113 PHE HE2 . 17799 1 1223 . 1 1 135 135 PHE C C 13 170.917 0.16 . 1 . . . A 113 PHE C . 17799 1 1224 . 1 1 135 135 PHE CA C 13 52.889 0.16 . 1 . . . A 113 PHE CA . 17799 1 1225 . 1 1 135 135 PHE CB C 13 37.904 0.16 . 1 . . . A 113 PHE CB . 17799 1 1226 . 1 1 135 135 PHE CD1 C 13 127.399 0.16 . 3 . . . A 113 PHE CD1 . 17799 1 1227 . 1 1 135 135 PHE CD2 C 13 127.399 0.16 . 3 . . . A 113 PHE CD2 . 17799 1 1228 . 1 1 135 135 PHE CE1 C 13 126.021 0.16 . 3 . . . A 113 PHE CE1 . 17799 1 1229 . 1 1 135 135 PHE CE2 C 13 126.021 0.16 . 3 . . . A 113 PHE CE2 . 17799 1 1230 . 1 1 135 135 PHE N N 15 125.677 0.12 . 1 . . . A 113 PHE N . 17799 1 1231 . 1 1 136 136 ARG H H 1 8.540 0.025 . 1 . . . A 114 ARG H . 17799 1 1232 . 1 1 136 136 ARG HA H 1 4.584 0.025 . 1 . . . A 114 ARG HA . 17799 1 1233 . 1 1 136 136 ARG HB2 H 1 1.676 0.025 . 2 . . . A 114 ARG HB2 . 17799 1 1234 . 1 1 136 136 ARG HG2 H 1 1.843 0.025 . 2 . . . A 114 ARG HG2 . 17799 1 1235 . 1 1 136 136 ARG HG3 H 1 1.843 0.025 . 2 . . . A 114 ARG HG3 . 17799 1 1236 . 1 1 136 136 ARG HD2 H 1 3.113 0.025 . 2 . . . A 114 ARG HD2 . 17799 1 1237 . 1 1 136 136 ARG HD3 H 1 3.113 0.025 . 2 . . . A 114 ARG HD3 . 17799 1 1238 . 1 1 136 136 ARG CA C 13 52.480 0.16 . 1 . . . A 114 ARG CA . 17799 1 1239 . 1 1 136 136 ARG CB C 13 30.232 0.16 . 1 . . . A 114 ARG CB . 17799 1 1240 . 1 1 136 136 ARG CG C 13 27.202 0.16 . 1 . . . A 114 ARG CG . 17799 1 1241 . 1 1 136 136 ARG CD C 13 40.633 0.16 . 1 . . . A 114 ARG CD . 17799 1 1242 . 1 1 136 136 ARG N N 15 119.306 0.12 . 1 . . . A 114 ARG N . 17799 1 1243 . 1 1 137 137 ASP H H 1 8.558 0.025 . 1 . . . A 115 ASP H . 17799 1 1244 . 1 1 137 137 ASP HA H 1 4.632 0.025 . 1 . . . A 115 ASP HA . 17799 1 1245 . 1 1 137 137 ASP HB2 H 1 2.402 0.025 . 2 . . . A 115 ASP HB2 . 17799 1 1246 . 1 1 137 137 ASP HB3 H 1 2.768 0.025 . 2 . . . A 115 ASP HB3 . 17799 1 1247 . 1 1 137 137 ASP CB C 13 37.529 0.16 . 1 . . . A 115 ASP CB . 17799 1 1248 . 1 1 137 137 ASP N N 15 121.897 0.12 . 1 . . . A 115 ASP N . 17799 1 1249 . 1 1 139 139 LYS HA H 1 5.152 0.025 . 1 . . . A 117 LYS HA . 17799 1 1250 . 1 1 139 139 LYS HB2 H 1 1.604 0.025 . 2 . . . A 117 LYS HB2 . 17799 1 1251 . 1 1 139 139 LYS HB3 H 1 1.532 0.025 . 2 . . . A 117 LYS HB3 . 17799 1 1252 . 1 1 139 139 LYS HG2 H 1 1.406 0.025 . 2 . . . A 117 LYS HG2 . 17799 1 1253 . 1 1 139 139 LYS HG3 H 1 1.406 0.025 . 2 . . . A 117 LYS HG3 . 17799 1 1254 . 1 1 139 139 LYS HD2 H 1 1.471 0.025 . 2 . . . A 117 LYS HD2 . 17799 1 1255 . 1 1 139 139 LYS HD3 H 1 1.471 0.025 . 2 . . . A 117 LYS HD3 . 17799 1 1256 . 1 1 139 139 LYS HE2 H 1 2.714 0.025 . 2 . . . A 117 LYS HE2 . 17799 1 1257 . 1 1 139 139 LYS HE3 H 1 2.840 0.025 . 2 . . . A 117 LYS HE3 . 17799 1 1258 . 1 1 139 139 LYS CA C 13 53.284 0.16 . 1 . . . A 117 LYS CA . 17799 1 1259 . 1 1 139 139 LYS CB C 13 31.774 0.16 . 1 . . . A 117 LYS CB . 17799 1 1260 . 1 1 139 139 LYS CG C 13 25.028 0.16 . 1 . . . A 117 LYS CG . 17799 1 1261 . 1 1 139 139 LYS CD C 13 26.688 0.16 . 1 . . . A 117 LYS CD . 17799 1 1262 . 1 1 139 139 LYS CE C 13 38.976 0.16 . 1 . . . A 117 LYS CE . 17799 1 1263 . 1 1 141 141 ILE H H 1 8.119 0.025 . 1 . . . A 119 ILE H . 17799 1 1264 . 1 1 141 141 ILE HA H 1 4.070 0.025 . 1 . . . A 119 ILE HA . 17799 1 1265 . 1 1 141 141 ILE HB H 1 1.755 0.025 . 1 . . . A 119 ILE HB . 17799 1 1266 . 1 1 141 141 ILE HG12 H 1 1.129 0.025 . 2 . . . A 119 ILE HG12 . 17799 1 1267 . 1 1 141 141 ILE HG13 H 1 1.411 0.025 . 2 . . . A 119 ILE HG13 . 17799 1 1268 . 1 1 141 141 ILE HD11 H 1 0.803 0.025 . 1 . . . A 119 ILE HD11 . 17799 1 1269 . 1 1 141 141 ILE HD12 H 1 0.803 0.025 . 1 . . . A 119 ILE HD12 . 17799 1 1270 . 1 1 141 141 ILE HD13 H 1 0.803 0.025 . 1 . . . A 119 ILE HD13 . 17799 1 1271 . 1 1 141 141 ILE CA C 13 58.926 0.16 . 1 . . . A 119 ILE CA . 17799 1 1272 . 1 1 141 141 ILE CB C 13 36.344 0.16 . 1 . . . A 119 ILE CB . 17799 1 1273 . 1 1 141 141 ILE CG1 C 13 25.040 0.16 . 1 . . . A 119 ILE CG1 . 17799 1 1274 . 1 1 141 141 ILE CD1 C 13 18.221 0.16 . 1 . . . A 119 ILE CD1 . 17799 1 1275 . 1 1 141 141 ILE N N 15 120.797 0.12 . 1 . . . A 119 ILE N . 17799 1 1276 . 1 1 142 142 SER H H 1 8.316 0.025 . 1 . . . A 120 SER H . 17799 1 1277 . 1 1 142 142 SER HA H 1 4.590 0.025 . 1 . . . A 120 SER HA . 17799 1 1278 . 1 1 142 142 SER HB2 H 1 3.922 0.025 . 2 . . . A 120 SER HB2 . 17799 1 1279 . 1 1 142 142 SER HB3 H 1 3.736 0.025 . 2 . . . A 120 SER HB3 . 17799 1 1280 . 1 1 142 142 SER C C 13 172.077 0.16 . 1 . . . A 120 SER C . 17799 1 1281 . 1 1 142 142 SER CA C 13 54.841 0.16 . 1 . . . A 120 SER CA . 17799 1 1282 . 1 1 142 142 SER CB C 13 61.691 0.16 . 1 . . . A 120 SER CB . 17799 1 1283 . 1 1 142 142 SER N N 15 112.509 0.12 . 1 . . . A 120 SER N . 17799 1 1284 . 1 1 143 143 THR H H 1 8.325 0.025 . 1 . . . A 121 THR H . 17799 1 1285 . 1 1 143 143 THR HA H 1 4.261 0.025 . 1 . . . A 121 THR HA . 17799 1 1286 . 1 1 143 143 THR HB H 1 4.245 0.025 . 1 . . . A 121 THR HB . 17799 1 1287 . 1 1 143 143 THR HG21 H 1 1.115 0.025 . 1 . . . A 121 THR HG21 . 17799 1 1288 . 1 1 143 143 THR HG22 H 1 1.115 0.025 . 1 . . . A 121 THR HG22 . 17799 1 1289 . 1 1 143 143 THR HG23 H 1 1.115 0.025 . 1 . . . A 121 THR HG23 . 17799 1 1290 . 1 1 143 143 THR C C 13 171.509 0.16 . 1 . . . A 121 THR C . 17799 1 1291 . 1 1 143 143 THR CA C 13 59.419 0.16 . 1 . . . A 121 THR CA . 17799 1 1292 . 1 1 143 143 THR CB C 13 66.862 0.16 . 1 . . . A 121 THR CB . 17799 1 1293 . 1 1 143 143 THR CG2 C 13 19.286 0.16 . 1 . . . A 121 THR CG2 . 17799 1 1294 . 1 1 143 143 THR N N 15 115.971 0.12 . 1 . . . A 121 THR N . 17799 1 1295 . 1 1 144 144 ASP H H 1 8.278 0.025 . 1 . . . A 122 ASP H . 17799 1 1296 . 1 1 144 144 ASP HA H 1 4.713 0.025 . 1 . . . A 122 ASP HA . 17799 1 1297 . 1 1 144 144 ASP HB2 H 1 2.512 0.025 . 2 . . . A 122 ASP HB2 . 17799 1 1298 . 1 1 144 144 ASP HB3 H 1 2.642 0.025 . 2 . . . A 122 ASP HB3 . 17799 1 1299 . 1 1 144 144 ASP C C 13 172.747 0.16 . 1 . . . A 122 ASP C . 17799 1 1300 . 1 1 144 144 ASP CA C 13 51.269 0.16 . 1 . . . A 122 ASP CA . 17799 1 1301 . 1 1 144 144 ASP CB C 13 38.583 0.16 . 1 . . . A 122 ASP CB . 17799 1 1302 . 1 1 144 144 ASP N N 15 121.769 0.12 . 1 . . . A 122 ASP N . 17799 1 1303 . 1 1 145 145 ASP H H 1 8.177 0.025 . 1 . . . A 123 ASP H . 17799 1 1304 . 1 1 145 145 ASP HA H 1 4.711 0.025 . 1 . . . A 123 ASP HA . 17799 1 1305 . 1 1 145 145 ASP HB2 H 1 2.643 0.025 . 2 . . . A 123 ASP HB2 . 17799 1 1306 . 1 1 145 145 ASP HB3 H 1 2.757 0.025 . 2 . . . A 123 ASP HB3 . 17799 1 1307 . 1 1 145 145 ASP CA C 13 41.877 0.16 . 1 . . . A 123 ASP CA . 17799 1 1308 . 1 1 145 145 ASP CB C 13 38.536 0.16 . 1 . . . A 123 ASP CB . 17799 1 1309 . 1 1 145 145 ASP N N 15 120.734 0.12 . 1 . . . A 123 ASP N . 17799 1 1310 . 1 1 146 146 LEU H H 1 8.376 0.025 . 1 . . . A 124 LEU H . 17799 1 1311 . 1 1 146 146 LEU HA H 1 4.425 0.025 . 1 . . . A 124 LEU HA . 17799 1 1312 . 1 1 146 146 LEU HB2 H 1 1.901 0.025 . 2 . . . A 124 LEU HB2 . 17799 1 1313 . 1 1 146 146 LEU HB3 H 1 1.353 0.025 . 2 . . . A 124 LEU HB3 . 17799 1 1314 . 1 1 146 146 LEU HD11 H 1 0.640 0.025 . 2 . . . A 124 LEU HD11 . 17799 1 1315 . 1 1 146 146 LEU HD12 H 1 0.640 0.025 . 2 . . . A 124 LEU HD12 . 17799 1 1316 . 1 1 146 146 LEU HD13 H 1 0.640 0.025 . 2 . . . A 124 LEU HD13 . 17799 1 1317 . 1 1 146 146 LEU HD21 H 1 0.801 0.025 . 2 . . . A 124 LEU HD21 . 17799 1 1318 . 1 1 146 146 LEU HD22 H 1 0.801 0.025 . 2 . . . A 124 LEU HD22 . 17799 1 1319 . 1 1 146 146 LEU HD23 H 1 0.801 0.025 . 2 . . . A 124 LEU HD23 . 17799 1 1320 . 1 1 146 146 LEU C C 13 172.426 0.16 . 1 . . . A 124 LEU C . 17799 1 1321 . 1 1 146 146 LEU CA C 13 52.690 0.16 . 1 . . . A 124 LEU CA . 17799 1 1322 . 1 1 146 146 LEU CB C 13 40.635 0.16 . 1 . . . A 124 LEU CB . 17799 1 1323 . 1 1 146 146 LEU CD1 C 13 23.933 0.16 . 2 . . . A 124 LEU CD1 . 17799 1 1324 . 1 1 146 146 LEU CD2 C 13 21.172 0.16 . 2 . . . A 124 LEU CD2 . 17799 1 1325 . 1 1 146 146 LEU N N 15 108.038 0.12 . 1 . . . A 124 LEU N . 17799 1 1326 . 1 1 147 147 ASN H H 1 8.984 0.025 . 1 . . . A 125 ASN H . 17799 1 1327 . 1 1 147 147 ASN HA H 1 4.832 0.025 . 1 . . . A 125 ASN HA . 17799 1 1328 . 1 1 147 147 ASN HB2 H 1 2.753 0.025 . 2 . . . A 125 ASN HB2 . 17799 1 1329 . 1 1 147 147 ASN HB3 H 1 2.569 0.025 . 2 . . . A 125 ASN HB3 . 17799 1 1330 . 1 1 147 147 ASN HD21 H 1 6.694 0.025 . 2 . . . A 125 ASN HD21 . 17799 1 1331 . 1 1 147 147 ASN HD22 H 1 7.584 0.025 . 2 . . . A 125 ASN HD22 . 17799 1 1332 . 1 1 147 147 ASN C C 13 170.187 0.16 . 1 . . . A 125 ASN C . 17799 1 1333 . 1 1 147 147 ASN CA C 13 51.215 0.16 . 1 . . . A 125 ASN CA . 17799 1 1334 . 1 1 147 147 ASN CB C 13 36.291 0.16 . 1 . . . A 125 ASN CB . 17799 1 1335 . 1 1 147 147 ASN N N 15 126.280 0.12 . 1 . . . A 125 ASN N . 17799 1 1336 . 1 1 147 147 ASN ND2 N 15 112.161 0.12 . 1 . . . A 125 ASN ND2 . 17799 1 1337 . 1 1 148 148 LEU H H 1 8.999 0.025 . 1 . . . A 126 LEU H . 17799 1 1338 . 1 1 148 148 LEU HA H 1 4.591 0.025 . 1 . . . A 126 LEU HA . 17799 1 1339 . 1 1 148 148 LEU HB2 H 1 1.665 0.025 . 2 . . . A 126 LEU HB2 . 17799 1 1340 . 1 1 148 148 LEU HB3 H 1 1.784 0.025 . 2 . . . A 126 LEU HB3 . 17799 1 1341 . 1 1 148 148 LEU HG H 1 1.520 0.025 . 1 . . . A 126 LEU HG . 17799 1 1342 . 1 1 148 148 LEU HD11 H 1 0.800 0.025 . 2 . . . A 126 LEU HD11 . 17799 1 1343 . 1 1 148 148 LEU HD12 H 1 0.800 0.025 . 2 . . . A 126 LEU HD12 . 17799 1 1344 . 1 1 148 148 LEU HD13 H 1 0.800 0.025 . 2 . . . A 126 LEU HD13 . 17799 1 1345 . 1 1 148 148 LEU HD21 H 1 0.792 0.025 . 2 . . . A 126 LEU HD21 . 17799 1 1346 . 1 1 148 148 LEU HD22 H 1 0.792 0.025 . 2 . . . A 126 LEU HD22 . 17799 1 1347 . 1 1 148 148 LEU HD23 H 1 0.792 0.025 . 2 . . . A 126 LEU HD23 . 17799 1 1348 . 1 1 148 148 LEU C C 13 173.698 0.16 . 1 . . . A 126 LEU C . 17799 1 1349 . 1 1 148 148 LEU CA C 13 50.989 0.16 . 1 . . . A 126 LEU CA . 17799 1 1350 . 1 1 148 148 LEU CB C 13 40.272 0.16 . 1 . . . A 126 LEU CB . 17799 1 1351 . 1 1 148 148 LEU CG C 13 24.171 0.16 . 1 . . . A 126 LEU CG . 17799 1 1352 . 1 1 148 148 LEU CD1 C 13 19.592 0.16 . 2 . . . A 126 LEU CD1 . 17799 1 1353 . 1 1 148 148 LEU CD2 C 13 22.862 0.16 . 2 . . . A 126 LEU CD2 . 17799 1 1354 . 1 1 148 148 LEU N N 15 124.014 0.12 . 1 . . . A 126 LEU N . 17799 1 1355 . 1 1 149 149 TYR H H 1 7.817 0.025 . 1 . . . A 127 TYR H . 17799 1 1356 . 1 1 149 149 TYR HA H 1 4.752 0.025 . 1 . . . A 127 TYR HA . 17799 1 1357 . 1 1 149 149 TYR HB2 H 1 2.776 0.025 . 2 . . . A 127 TYR HB2 . 17799 1 1358 . 1 1 149 149 TYR HB3 H 1 2.407 0.025 . 2 . . . A 127 TYR HB3 . 17799 1 1359 . 1 1 149 149 TYR HD1 H 1 6.786 0.025 . 3 . . . A 127 TYR HD1 . 17799 1 1360 . 1 1 149 149 TYR HD2 H 1 6.786 0.025 . 3 . . . A 127 TYR HD2 . 17799 1 1361 . 1 1 149 149 TYR HE1 H 1 6.535 0.025 . 3 . . . A 127 TYR HE1 . 17799 1 1362 . 1 1 149 149 TYR HE2 H 1 6.535 0.025 . 3 . . . A 127 TYR HE2 . 17799 1 1363 . 1 1 149 149 TYR C C 13 169.404 0.16 . 1 . . . A 127 TYR C . 17799 1 1364 . 1 1 149 149 TYR CA C 13 55.523 0.16 . 1 . . . A 127 TYR CA . 17799 1 1365 . 1 1 149 149 TYR CB C 13 38.880 0.16 . 1 . . . A 127 TYR CB . 17799 1 1366 . 1 1 149 149 TYR CD1 C 13 128.591 0.16 . 3 . . . A 127 TYR CD1 . 17799 1 1367 . 1 1 149 149 TYR CD2 C 13 128.591 0.16 . 3 . . . A 127 TYR CD2 . 17799 1 1368 . 1 1 149 149 TYR CE1 C 13 112.954 0.16 . 3 . . . A 127 TYR CE1 . 17799 1 1369 . 1 1 149 149 TYR CE2 C 13 112.954 0.16 . 3 . . . A 127 TYR CE2 . 17799 1 1370 . 1 1 149 149 TYR N N 15 124.522 0.12 . 1 . . . A 127 TYR N . 17799 1 1371 . 1 1 150 150 TYR H H 1 8.418 0.025 . 1 . . . A 128 TYR H . 17799 1 1372 . 1 1 150 150 TYR HA H 1 4.428 0.025 . 1 . . . A 128 TYR HA . 17799 1 1373 . 1 1 150 150 TYR HB2 H 1 2.352 0.025 . 2 . . . A 128 TYR HB2 . 17799 1 1374 . 1 1 150 150 TYR HB3 H 1 3.297 0.025 . 2 . . . A 128 TYR HB3 . 17799 1 1375 . 1 1 150 150 TYR HD1 H 1 7.001 0.025 . 3 . . . A 128 TYR HD1 . 17799 1 1376 . 1 1 150 150 TYR HD2 H 1 7.001 0.025 . 3 . . . A 128 TYR HD2 . 17799 1 1377 . 1 1 150 150 TYR HE1 H 1 6.553 0.025 . 3 . . . A 128 TYR HE1 . 17799 1 1378 . 1 1 150 150 TYR HE2 H 1 6.553 0.025 . 3 . . . A 128 TYR HE2 . 17799 1 1379 . 1 1 150 150 TYR C C 13 169.995 0.16 . 1 . . . A 128 TYR C . 17799 1 1380 . 1 1 150 150 TYR CA C 13 54.279 0.16 . 1 . . . A 128 TYR CA . 17799 1 1381 . 1 1 150 150 TYR CB C 13 39.402 0.16 . 1 . . . A 128 TYR CB . 17799 1 1382 . 1 1 150 150 TYR CD1 C 13 129.518 0.16 . 3 . . . A 128 TYR CD1 . 17799 1 1383 . 1 1 150 150 TYR CD2 C 13 129.518 0.16 . 3 . . . A 128 TYR CD2 . 17799 1 1384 . 1 1 150 150 TYR CE1 C 13 113.304 0.16 . 3 . . . A 128 TYR CE1 . 17799 1 1385 . 1 1 150 150 TYR CE2 C 13 113.266 0.16 . 3 . . . A 128 TYR CE2 . 17799 1 1386 . 1 1 150 150 TYR N N 15 126.455 0.12 . 1 . . . A 128 TYR N . 17799 1 1387 . 1 1 151 151 ASN H H 1 7.800 0.025 . 1 . . . A 129 ASN H . 17799 1 1388 . 1 1 151 151 ASN HA H 1 4.426 0.025 . 1 . . . A 129 ASN HA . 17799 1 1389 . 1 1 151 151 ASN HB2 H 1 2.724 0.025 . 2 . . . A 129 ASN HB2 . 17799 1 1390 . 1 1 151 151 ASN HB3 H 1 3.113 0.025 . 2 . . . A 129 ASN HB3 . 17799 1 1391 . 1 1 151 151 ASN HD21 H 1 7.319 0.025 . 2 . . . A 129 ASN HD21 . 17799 1 1392 . 1 1 151 151 ASN HD22 H 1 6.716 0.025 . 2 . . . A 129 ASN HD22 . 17799 1 1393 . 1 1 151 151 ASN CA C 13 50.920 0.16 . 1 . . . A 129 ASN CA . 17799 1 1394 . 1 1 151 151 ASN CB C 13 37.633 0.16 . 1 . . . A 129 ASN CB . 17799 1 1395 . 1 1 151 151 ASN N N 15 123.763 0.12 . 1 . . . A 129 ASN N . 17799 1 1396 . 1 1 151 151 ASN ND2 N 15 110.732 0.12 . 1 . . . A 129 ASN ND2 . 17799 1 stop_ save_