data_6726 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6726 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID . . 'Structure analysis' . 6726 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . CalC 6726 1 . calicheamicin 6726 1 . NMR 6726 1 . resistance 6726 1 . Self-sacrifice 6726 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6726 _Entry.Title ; Solution structure of self-sacrificing resistance protein CalC from Micromonospora echinospora ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-07-08 _Entry.Accession_date 2005-07-11 _Entry.Last_release_date 2006-09-06 _Entry.Original_release_date 2006-09-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Shanteri Singh . . . 6726 2 Jon Thorson . S. . 6726 3 Martin Hager . H. . 6726 4 Klaas Hallenga . . . 6726 5 John Markley . L. . 6726 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'School of Pharmacy, UW-Madison, WI' . 6726 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6726 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 596 6726 '15N chemical shifts' 156 6726 '1H chemical shifts' 937 6726 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 . . 2006-09-06 2005-07-08 original author . 6726 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1ZXF 'BMRB Entry Tracking System' 6726 PDB 2GKD 'BMRB Entry Tracking System' 6726 PDB 2L65 'BMRB Entry Tracking System' 6726 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6726 _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 'Structural Insight into the Self-Sacrifice Mechanism of Enediyne Resistance' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Chem. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 1 _Citation.Journal_issue 7 _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 451 _Citation.Page_last 460 _Citation.Year 2006 _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 Shanteri Singh . . . 6726 1 2 Martin Hager . H. . 6726 1 3 Changsheng Zhang . . . 6726 1 4 Bryon Griffith . R. . 6726 1 5 Min Lee . S. . 6726 1 6 Klaas Hallenga . . . 6726 1 7 John Markley . L. . 6726 1 8 Jon Thorson . S. . 6726 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CalC 6726 1 calicheamicin 6726 1 resistance 6726 1 self-sacrifice 6726 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6726 _Assembly.ID 1 _Assembly.Name 'CalC monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 18500 _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 'self-sacrificing resistance protein' 1 $CalC . . yes native no no . . . 6726 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1ZXF . . . . . 'RCSB ID (RCSB033231), CalC' 6726 1 . PDB 2GKC . . . . . 'RCSB ID (RCSB037225), CalC-CLM (calicheamicin), based on chemical shift perturbation data' 6726 1 . PDB 2GKD . . . . . 'RCSB ID (RCSB037226), CalC-DNA , based on chemical shift perturbation data' 6726 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CalC _Entity.Sf_category entity _Entity.Sf_framecode CalC _Entity.Entry_ID 6726 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CalC _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; NYDPFVRHSVTVKADRKTAF KTFLEGFPEWWPNNFRTTKV GAPLGVDKKGGRWYEIDEQG EEHTFGLIRKVDEPDTLVIG WRLNGFGRIDPDNSSEFTVT FVADGQKKTRVDVEHTHFDR MGTKHAKRVRNGMDKGWPTI LQSFQDKIDEEGAKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 27-181 _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 155 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1ZXF . "Solution Structure Of A Self-Sacrificing Resistance Protein, Calc From Micromonospora Echinospora" . . . . . 100.00 155 100.00 100.00 3.70e-108 . . . . 6726 1 2 no PDB 2GKD . "Structural Insight Into Self-Sacrifice Mechanism Of Enediyne Resistance" . . . . . 100.00 155 100.00 100.00 3.70e-108 . . . . 6726 1 3 no PDB 2L65 . "Haddock Calculated Model Of The Complex Of The Resistance Protein Calc And Calicheamicin-Gamma" . . . . . 100.00 155 100.00 100.00 3.70e-108 . . . . 6726 1 4 no GB AAM70338 . "CalC [Micromonospora echinospora]" . . . . . 100.00 181 100.00 100.00 3.57e-109 . . . . 6726 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 27 ASN . 6726 1 2 28 TYR . 6726 1 3 29 ASP . 6726 1 4 30 PRO . 6726 1 5 31 PHE . 6726 1 6 32 VAL . 6726 1 7 33 ARG . 6726 1 8 34 HIS . 6726 1 9 35 SER . 6726 1 10 36 VAL . 6726 1 11 37 THR . 6726 1 12 38 VAL . 6726 1 13 39 LYS . 6726 1 14 40 ALA . 6726 1 15 41 ASP . 6726 1 16 42 ARG . 6726 1 17 43 LYS . 6726 1 18 44 THR . 6726 1 19 45 ALA . 6726 1 20 46 PHE . 6726 1 21 47 LYS . 6726 1 22 48 THR . 6726 1 23 49 PHE . 6726 1 24 50 LEU . 6726 1 25 51 GLU . 6726 1 26 52 GLY . 6726 1 27 53 PHE . 6726 1 28 54 PRO . 6726 1 29 55 GLU . 6726 1 30 56 TRP . 6726 1 31 57 TRP . 6726 1 32 58 PRO . 6726 1 33 59 ASN . 6726 1 34 60 ASN . 6726 1 35 61 PHE . 6726 1 36 62 ARG . 6726 1 37 63 THR . 6726 1 38 64 THR . 6726 1 39 65 LYS . 6726 1 40 66 VAL . 6726 1 41 67 GLY . 6726 1 42 68 ALA . 6726 1 43 69 PRO . 6726 1 44 70 LEU . 6726 1 45 71 GLY . 6726 1 46 72 VAL . 6726 1 47 73 ASP . 6726 1 48 74 LYS . 6726 1 49 75 LYS . 6726 1 50 76 GLY . 6726 1 51 77 GLY . 6726 1 52 78 ARG . 6726 1 53 79 TRP . 6726 1 54 80 TYR . 6726 1 55 81 GLU . 6726 1 56 82 ILE . 6726 1 57 83 ASP . 6726 1 58 84 GLU . 6726 1 59 85 GLN . 6726 1 60 86 GLY . 6726 1 61 87 GLU . 6726 1 62 88 GLU . 6726 1 63 89 HIS . 6726 1 64 90 THR . 6726 1 65 91 PHE . 6726 1 66 92 GLY . 6726 1 67 93 LEU . 6726 1 68 94 ILE . 6726 1 69 95 ARG . 6726 1 70 96 LYS . 6726 1 71 97 VAL . 6726 1 72 98 ASP . 6726 1 73 99 GLU . 6726 1 74 100 PRO . 6726 1 75 101 ASP . 6726 1 76 102 THR . 6726 1 77 103 LEU . 6726 1 78 104 VAL . 6726 1 79 105 ILE . 6726 1 80 106 GLY . 6726 1 81 107 TRP . 6726 1 82 108 ARG . 6726 1 83 109 LEU . 6726 1 84 110 ASN . 6726 1 85 111 GLY . 6726 1 86 112 PHE . 6726 1 87 113 GLY . 6726 1 88 114 ARG . 6726 1 89 115 ILE . 6726 1 90 116 ASP . 6726 1 91 117 PRO . 6726 1 92 118 ASP . 6726 1 93 119 ASN . 6726 1 94 120 SER . 6726 1 95 121 SER . 6726 1 96 122 GLU . 6726 1 97 123 PHE . 6726 1 98 124 THR . 6726 1 99 125 VAL . 6726 1 100 126 THR . 6726 1 101 127 PHE . 6726 1 102 128 VAL . 6726 1 103 129 ALA . 6726 1 104 130 ASP . 6726 1 105 131 GLY . 6726 1 106 132 GLN . 6726 1 107 133 LYS . 6726 1 108 134 LYS . 6726 1 109 135 THR . 6726 1 110 136 ARG . 6726 1 111 137 VAL . 6726 1 112 138 ASP . 6726 1 113 139 VAL . 6726 1 114 140 GLU . 6726 1 115 141 HIS . 6726 1 116 142 THR . 6726 1 117 143 HIS . 6726 1 118 144 PHE . 6726 1 119 145 ASP . 6726 1 120 146 ARG . 6726 1 121 147 MET . 6726 1 122 148 GLY . 6726 1 123 149 THR . 6726 1 124 150 LYS . 6726 1 125 151 HIS . 6726 1 126 152 ALA . 6726 1 127 153 LYS . 6726 1 128 154 ARG . 6726 1 129 155 VAL . 6726 1 130 156 ARG . 6726 1 131 157 ASN . 6726 1 132 158 GLY . 6726 1 133 159 MET . 6726 1 134 160 ASP . 6726 1 135 161 LYS . 6726 1 136 162 GLY . 6726 1 137 163 TRP . 6726 1 138 164 PRO . 6726 1 139 165 THR . 6726 1 140 166 ILE . 6726 1 141 167 LEU . 6726 1 142 168 GLN . 6726 1 143 169 SER . 6726 1 144 170 PHE . 6726 1 145 171 GLN . 6726 1 146 172 ASP . 6726 1 147 173 LYS . 6726 1 148 174 ILE . 6726 1 149 175 ASP . 6726 1 150 176 GLU . 6726 1 151 177 GLU . 6726 1 152 178 GLY . 6726 1 153 179 ALA . 6726 1 154 180 LYS . 6726 1 155 181 LYS . 6726 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 . ASN 1 1 6726 1 . TYR 2 2 6726 1 . ASP 3 3 6726 1 . PRO 4 4 6726 1 . PHE 5 5 6726 1 . VAL 6 6 6726 1 . ARG 7 7 6726 1 . HIS 8 8 6726 1 . SER 9 9 6726 1 . VAL 10 10 6726 1 . THR 11 11 6726 1 . VAL 12 12 6726 1 . LYS 13 13 6726 1 . ALA 14 14 6726 1 . ASP 15 15 6726 1 . ARG 16 16 6726 1 . LYS 17 17 6726 1 . THR 18 18 6726 1 . ALA 19 19 6726 1 . PHE 20 20 6726 1 . LYS 21 21 6726 1 . THR 22 22 6726 1 . PHE 23 23 6726 1 . LEU 24 24 6726 1 . GLU 25 25 6726 1 . GLY 26 26 6726 1 . PHE 27 27 6726 1 . PRO 28 28 6726 1 . GLU 29 29 6726 1 . TRP 30 30 6726 1 . TRP 31 31 6726 1 . PRO 32 32 6726 1 . ASN 33 33 6726 1 . ASN 34 34 6726 1 . PHE 35 35 6726 1 . ARG 36 36 6726 1 . THR 37 37 6726 1 . THR 38 38 6726 1 . LYS 39 39 6726 1 . VAL 40 40 6726 1 . GLY 41 41 6726 1 . ALA 42 42 6726 1 . PRO 43 43 6726 1 . LEU 44 44 6726 1 . GLY 45 45 6726 1 . VAL 46 46 6726 1 . ASP 47 47 6726 1 . LYS 48 48 6726 1 . LYS 49 49 6726 1 . GLY 50 50 6726 1 . GLY 51 51 6726 1 . ARG 52 52 6726 1 . TRP 53 53 6726 1 . TYR 54 54 6726 1 . GLU 55 55 6726 1 . ILE 56 56 6726 1 . ASP 57 57 6726 1 . GLU 58 58 6726 1 . GLN 59 59 6726 1 . GLY 60 60 6726 1 . GLU 61 61 6726 1 . GLU 62 62 6726 1 . HIS 63 63 6726 1 . THR 64 64 6726 1 . PHE 65 65 6726 1 . GLY 66 66 6726 1 . LEU 67 67 6726 1 . ILE 68 68 6726 1 . ARG 69 69 6726 1 . LYS 70 70 6726 1 . VAL 71 71 6726 1 . ASP 72 72 6726 1 . GLU 73 73 6726 1 . PRO 74 74 6726 1 . ASP 75 75 6726 1 . THR 76 76 6726 1 . LEU 77 77 6726 1 . VAL 78 78 6726 1 . ILE 79 79 6726 1 . GLY 80 80 6726 1 . TRP 81 81 6726 1 . ARG 82 82 6726 1 . LEU 83 83 6726 1 . ASN 84 84 6726 1 . GLY 85 85 6726 1 . PHE 86 86 6726 1 . GLY 87 87 6726 1 . ARG 88 88 6726 1 . ILE 89 89 6726 1 . ASP 90 90 6726 1 . PRO 91 91 6726 1 . ASP 92 92 6726 1 . ASN 93 93 6726 1 . SER 94 94 6726 1 . SER 95 95 6726 1 . GLU 96 96 6726 1 . PHE 97 97 6726 1 . THR 98 98 6726 1 . VAL 99 99 6726 1 . THR 100 100 6726 1 . PHE 101 101 6726 1 . VAL 102 102 6726 1 . ALA 103 103 6726 1 . ASP 104 104 6726 1 . GLY 105 105 6726 1 . GLN 106 106 6726 1 . LYS 107 107 6726 1 . LYS 108 108 6726 1 . THR 109 109 6726 1 . ARG 110 110 6726 1 . VAL 111 111 6726 1 . ASP 112 112 6726 1 . VAL 113 113 6726 1 . GLU 114 114 6726 1 . HIS 115 115 6726 1 . THR 116 116 6726 1 . HIS 117 117 6726 1 . PHE 118 118 6726 1 . ASP 119 119 6726 1 . ARG 120 120 6726 1 . MET 121 121 6726 1 . GLY 122 122 6726 1 . THR 123 123 6726 1 . LYS 124 124 6726 1 . HIS 125 125 6726 1 . ALA 126 126 6726 1 . LYS 127 127 6726 1 . ARG 128 128 6726 1 . VAL 129 129 6726 1 . ARG 130 130 6726 1 . ASN 131 131 6726 1 . GLY 132 132 6726 1 . MET 133 133 6726 1 . ASP 134 134 6726 1 . LYS 135 135 6726 1 . GLY 136 136 6726 1 . TRP 137 137 6726 1 . PRO 138 138 6726 1 . THR 139 139 6726 1 . ILE 140 140 6726 1 . LEU 141 141 6726 1 . GLN 142 142 6726 1 . SER 143 143 6726 1 . PHE 144 144 6726 1 . GLN 145 145 6726 1 . ASP 146 146 6726 1 . LYS 147 147 6726 1 . ILE 148 148 6726 1 . ASP 149 149 6726 1 . GLU 150 150 6726 1 . GLU 151 151 6726 1 . GLY 152 152 6726 1 . ALA 153 153 6726 1 . LYS 154 154 6726 1 . LYS 155 155 6726 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 6726 _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 $CalC . 1877 . no . 'Micromonospora echinospora' . . Eubacteria . Micromonospora echinospora . . . . . . . . . . . . . . . . . . . . . 6726 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 6726 _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 $CalC . 'recombinant technology' . 'E. coli' BL21 . . . . . . . . . . . . . . . . . . . . . . . . . . 6726 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6726 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CalC '[U-95% 13C; U-90% 15N]' . . 1 $CalC . protein 0.8 0.7 0.9 mM 0.1 . . . 6726 1 2 NaPO4 . . . . . . . 10 . . mM . . . . 6726 1 3 NaCl . . . . . . . 150 . . mM . . . . 6726 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6726 _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' 0.150 0.025 M 6726 1 pH 7.3 0.2 pH 6726 1 temperature 303 2 K 6726 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6726 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY-INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_800MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer _NMR_spectrometer.Entry_ID 6726 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY-INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_900MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 900MHz_spectrometer _NMR_spectrometer.Entry_ID 6726 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY-INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6726 _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 '1H-15N HSQC' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6726 1 2 '1H-13C HSQC' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6726 1 3 HNCO no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6726 1 4 HNCACB no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6726 1 5 CBCA(CO)NH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6726 1 6 HBHA(CO)NH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6726 1 7 H(CCO)NH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6726 1 8 C(CO)NH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6726 1 9 'H(C)CH TOCSY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6726 1 10 '(H)CCH TOCSY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6726 1 11 NOESY no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6726 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 6726 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H15N_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6726 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6726 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6726 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6726 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6726 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 6726 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASN HA H 1 4.795 0.03 . 1 . . . . 27 ASN HA . 6726 1 2 . 1 1 1 1 ASN HB2 H 1 2.860 0.03 . 2 . . . . 27 ASN HB1 . 6726 1 3 . 1 1 1 1 ASN HB3 H 1 2.921 0.03 . 2 . . . . 27 ASN HB2 . 6726 1 4 . 1 1 1 1 ASN HD21 H 1 6.959 0.03 . 2 . . . . 27 ASN HD21 . 6726 1 5 . 1 1 1 1 ASN HD22 H 1 7.598 0.03 . 2 . . . . 27 ASN HD22 . 6726 1 6 . 1 1 1 1 ASN C C 13 173.990 0.3 . 1 . . . . 27 ASN C . 6726 1 7 . 1 1 1 1 ASN CA C 13 53.452 0.3 . 1 . . . . 27 ASN CA . 6726 1 8 . 1 1 1 1 ASN CB C 13 38.500 0.3 . 1 . . . . 27 ASN CB . 6726 1 9 . 1 1 1 1 ASN ND2 N 15 111.396 0.3 . 1 . . . . 27 ASN ND2 . 6726 1 10 . 1 1 2 2 TYR H H 1 7.197 0.03 . 1 . . . . 28 TYR HN . 6726 1 11 . 1 1 2 2 TYR HA H 1 4.700 0.03 . 1 . . . . 28 TYR HA . 6726 1 12 . 1 1 2 2 TYR HB2 H 1 2.816 0.03 . 2 . . . . 28 TYR HB1 . 6726 1 13 . 1 1 2 2 TYR HB3 H 1 3.003 0.03 . 2 . . . . 28 TYR HB2 . 6726 1 14 . 1 1 2 2 TYR C C 13 173.033 0.3 . 1 . . . . 28 TYR C . 6726 1 15 . 1 1 2 2 TYR CA C 13 56.036 0.3 . 1 . . . . 28 TYR CA . 6726 1 16 . 1 1 2 2 TYR CB C 13 39.448 0.3 . 1 . . . . 28 TYR CB . 6726 1 17 . 1 1 2 2 TYR N N 15 114.609 0.3 . 1 . . . . 28 TYR N . 6726 1 18 . 1 1 3 3 ASP H H 1 8.605 0.03 . 1 . . . . 29 ASP HN . 6726 1 19 . 1 1 3 3 ASP HA H 1 4.881 0.03 . 1 . . . . 29 ASP HA . 6726 1 20 . 1 1 3 3 ASP HB2 H 1 2.660 0.03 . 2 . . . . 29 ASP HB1 . 6726 1 21 . 1 1 3 3 ASP HB3 H 1 3.003 0.03 . 2 . . . . 29 ASP HB2 . 6726 1 22 . 1 1 3 3 ASP CA C 13 51.356 0.3 . 1 . . . . 29 ASP CA . 6726 1 23 . 1 1 3 3 ASP CB C 13 41.635 0.3 . 1 . . . . 29 ASP CB . 6726 1 24 . 1 1 3 3 ASP N N 15 123.584 0.3 . 1 . . . . 29 ASP N . 6726 1 25 . 1 1 4 4 PRO HA H 1 4.606 0.03 . 1 . . . . 30 PRO HA . 6726 1 26 . 1 1 4 4 PRO HB2 H 1 2.029 0.03 . 2 . . . . 30 PRO HB1 . 6726 1 27 . 1 1 4 4 PRO HB3 H 1 1.767 0.03 . 2 . . . . 30 PRO HB2 . 6726 1 28 . 1 1 4 4 PRO HG2 H 1 2.639 0.03 . 2 . . . . 30 PRO HG1 . 6726 1 29 . 1 1 4 4 PRO HG3 H 1 2.287 0.03 . 2 . . . . 30 PRO HG2 . 6726 1 30 . 1 1 4 4 PRO HD2 H 1 3.974 0.03 . 2 . . . . 30 PRO HD1 . 6726 1 31 . 1 1 4 4 PRO HD3 H 1 4.103 0.03 . 2 . . . . 30 PRO HD2 . 6726 1 32 . 1 1 4 4 PRO C C 13 176.747 0.3 . 1 . . . . 30 PRO C . 6726 1 33 . 1 1 4 4 PRO CA C 13 64.016 0.3 . 1 . . . . 30 PRO CA . 6726 1 34 . 1 1 4 4 PRO CB C 13 32.725 0.3 . 1 . . . . 30 PRO CB . 6726 1 35 . 1 1 4 4 PRO CG C 13 26.978 0.3 . 1 . . . . 30 PRO CG . 6726 1 36 . 1 1 4 4 PRO CD C 13 50.959 0.3 . 1 . . . . 30 PRO CD . 6726 1 37 . 1 1 5 5 PHE H H 1 8.797 0.03 . 1 . . . . 31 PHE HN . 6726 1 38 . 1 1 5 5 PHE HA H 1 5.275 0.03 . 1 . . . . 31 PHE HA . 6726 1 39 . 1 1 5 5 PHE HB2 H 1 3.093 0.03 . 2 . . . . 31 PHE HB1 . 6726 1 40 . 1 1 5 5 PHE HB3 H 1 2.722 0.03 . 2 . . . . 31 PHE HB2 . 6726 1 41 . 1 1 5 5 PHE HD2 H 1 6.446 0.03 . 3 . . . . 31 PHE HD2 . 6726 1 42 . 1 1 5 5 PHE C C 13 175.029 0.3 . 1 . . . . 31 PHE C . 6726 1 43 . 1 1 5 5 PHE CA C 13 58.176 0.3 . 1 . . . . 31 PHE CA . 6726 1 44 . 1 1 5 5 PHE CB C 13 43.059 0.3 . 1 . . . . 31 PHE CB . 6726 1 45 . 1 1 5 5 PHE N N 15 120.227 0.3 . 1 . . . . 31 PHE N . 6726 1 46 . 1 1 6 6 VAL H H 1 9.119 0.03 . 1 . . . . 32 VAL HN . 6726 1 47 . 1 1 6 6 VAL HA H 1 4.370 0.03 . 1 . . . . 32 VAL HA . 6726 1 48 . 1 1 6 6 VAL HB H 1 2.392 0.03 . 1 . . . . 32 VAL HB . 6726 1 49 . 1 1 6 6 VAL HG11 H 1 1.355 0.03 . 2 . . . . 32 VAL HG11 . 6726 1 50 . 1 1 6 6 VAL HG12 H 1 1.355 0.03 . 2 . . . . 32 VAL HG11 . 6726 1 51 . 1 1 6 6 VAL HG13 H 1 1.355 0.03 . 2 . . . . 32 VAL HG11 . 6726 1 52 . 1 1 6 6 VAL HG21 H 1 1.112 0.03 . 2 . . . . 32 VAL HG21 . 6726 1 53 . 1 1 6 6 VAL HG22 H 1 1.112 0.03 . 2 . . . . 32 VAL HG21 . 6726 1 54 . 1 1 6 6 VAL HG23 H 1 1.112 0.03 . 2 . . . . 32 VAL HG21 . 6726 1 55 . 1 1 6 6 VAL C C 13 174.633 0.3 . 1 . . . . 32 VAL C . 6726 1 56 . 1 1 6 6 VAL CA C 13 62.321 0.3 . 1 . . . . 32 VAL CA . 6726 1 57 . 1 1 6 6 VAL CB C 13 35.328 0.3 . 1 . . . . 32 VAL CB . 6726 1 58 . 1 1 6 6 VAL CG1 C 13 22.542 0.3 . 1 . . . . 32 VAL CG1 . 6726 1 59 . 1 1 6 6 VAL CG2 C 13 23.900 0.3 . 1 . . . . 32 VAL CG2 . 6726 1 60 . 1 1 6 6 VAL N N 15 123.079 0.3 . 1 . . . . 32 VAL N . 6726 1 61 . 1 1 7 7 ARG H H 1 8.559 0.03 . 1 . . . . 33 ARG HN . 6726 1 62 . 1 1 7 7 ARG HA H 1 5.477 0.03 . 1 . . . . 33 ARG HA . 6726 1 63 . 1 1 7 7 ARG HB2 H 1 1.526 0.03 . 2 . . . . 33 ARG HB1 . 6726 1 64 . 1 1 7 7 ARG HB3 H 1 1.670 0.03 . 2 . . . . 33 ARG HB2 . 6726 1 65 . 1 1 7 7 ARG HG2 H 1 1.520 0.03 . 2 . . . . 33 ARG HG1 . 6726 1 66 . 1 1 7 7 ARG HG3 H 1 1.570 0.03 . 2 . . . . 33 ARG HG2 . 6726 1 67 . 1 1 7 7 ARG HD2 H 1 3.020 0.03 . 1 . . . . 33 ARG HD1 . 6726 1 68 . 1 1 7 7 ARG HD3 H 1 3.020 0.03 . 1 . . . . 33 ARG HD2 . 6726 1 69 . 1 1 7 7 ARG C C 13 174.279 0.3 . 1 . . . . 33 ARG C . 6726 1 70 . 1 1 7 7 ARG CA C 13 55.132 0.3 . 1 . . . . 33 ARG CA . 6726 1 71 . 1 1 7 7 ARG CB C 13 33.505 0.3 . 1 . . . . 33 ARG CB . 6726 1 72 . 1 1 7 7 ARG CG C 13 29.207 0.3 . 1 . . . . 33 ARG CG . 6726 1 73 . 1 1 7 7 ARG CD C 13 43.367 0.3 . 1 . . . . 33 ARG CD . 6726 1 74 . 1 1 7 7 ARG N N 15 127.618 0.3 . 1 . . . . 33 ARG N . 6726 1 75 . 1 1 8 8 HIS H H 1 8.014 0.03 . 1 . . . . 34 HIS HN . 6726 1 76 . 1 1 8 8 HIS HA H 1 4.738 0.03 . 1 . . . . 34 HIS HA . 6726 1 77 . 1 1 8 8 HIS HB2 H 1 2.214 0.03 . 2 . . . . 34 HIS HB1 . 6726 1 78 . 1 1 8 8 HIS HB3 H 1 3.125 0.03 . 2 . . . . 34 HIS HB2 . 6726 1 79 . 1 1 8 8 HIS C C 13 173.066 0.3 . 1 . . . . 34 HIS C . 6726 1 80 . 1 1 8 8 HIS CA C 13 56.336 0.3 . 1 . . . . 34 HIS CA . 6726 1 81 . 1 1 8 8 HIS CB C 13 37.730 0.3 . 1 . . . . 34 HIS CB . 6726 1 82 . 1 1 8 8 HIS N N 15 119.810 0.3 . 1 . . . . 34 HIS N . 6726 1 83 . 1 1 9 9 SER H H 1 8.348 0.03 . 1 . . . . 35 SER HN . 6726 1 84 . 1 1 9 9 SER HA H 1 5.890 0.03 . 1 . . . . 35 SER HA . 6726 1 85 . 1 1 9 9 SER HB2 H 1 3.600 0.03 . 1 . . . . 35 SER HB1 . 6726 1 86 . 1 1 9 9 SER HB3 H 1 3.600 0.03 . 1 . . . . 35 SER HB2 . 6726 1 87 . 1 1 9 9 SER C C 13 174.216 0.3 . 1 . . . . 35 SER C . 6726 1 88 . 1 1 9 9 SER CA C 13 56.976 0.3 . 1 . . . . 35 SER CA . 6726 1 89 . 1 1 9 9 SER CB C 13 66.376 0.3 . 1 . . . . 35 SER CB . 6726 1 90 . 1 1 9 9 SER N N 15 114.487 0.3 . 1 . . . . 35 SER N . 6726 1 91 . 1 1 10 10 VAL H H 1 8.874 0.03 . 1 . . . . 36 VAL HN . 6726 1 92 . 1 1 10 10 VAL HA H 1 4.635 0.03 . 1 . . . . 36 VAL HA . 6726 1 93 . 1 1 10 10 VAL HB H 1 2.157 0.03 . 1 . . . . 36 VAL HB . 6726 1 94 . 1 1 10 10 VAL HG11 H 1 1.000 0.03 . 2 . . . . 36 VAL HG11 . 6726 1 95 . 1 1 10 10 VAL HG12 H 1 1.000 0.03 . 2 . . . . 36 VAL HG11 . 6726 1 96 . 1 1 10 10 VAL HG13 H 1 1.000 0.03 . 2 . . . . 36 VAL HG11 . 6726 1 97 . 1 1 10 10 VAL HG21 H 1 1.012 0.03 . 2 . . . . 36 VAL HG21 . 6726 1 98 . 1 1 10 10 VAL HG22 H 1 1.012 0.03 . 2 . . . . 36 VAL HG21 . 6726 1 99 . 1 1 10 10 VAL HG23 H 1 1.012 0.03 . 2 . . . . 36 VAL HG21 . 6726 1 100 . 1 1 10 10 VAL C C 13 172.604 0.3 . 1 . . . . 36 VAL C . 6726 1 101 . 1 1 10 10 VAL CA C 13 60.905 0.3 . 1 . . . . 36 VAL CA . 6726 1 102 . 1 1 10 10 VAL CB C 13 36.225 0.3 . 1 . . . . 36 VAL CB . 6726 1 103 . 1 1 10 10 VAL CG1 C 13 20.926 0.3 . 1 . . . . 36 VAL CG1 . 6726 1 104 . 1 1 10 10 VAL CG2 C 13 22.255 0.3 . 1 . . . . 36 VAL CG2 . 6726 1 105 . 1 1 10 10 VAL N N 15 120.810 0.3 . 1 . . . . 36 VAL N . 6726 1 106 . 1 1 11 11 THR H H 1 8.494 0.03 . 1 . . . . 37 THR HN . 6726 1 107 . 1 1 11 11 THR HA H 1 5.295 0.03 . 1 . . . . 37 THR HA . 6726 1 108 . 1 1 11 11 THR HB H 1 3.950 0.03 . 1 . . . . 37 THR HB . 6726 1 109 . 1 1 11 11 THR HG21 H 1 1.124 0.03 . 1 . . . . 37 THR HG21 . 6726 1 110 . 1 1 11 11 THR HG22 H 1 1.124 0.03 . 1 . . . . 37 THR HG21 . 6726 1 111 . 1 1 11 11 THR HG23 H 1 1.124 0.03 . 1 . . . . 37 THR HG21 . 6726 1 112 . 1 1 11 11 THR C C 13 174.522 0.3 . 1 . . . . 37 THR C . 6726 1 113 . 1 1 11 11 THR CA C 13 62.180 0.3 . 1 . . . . 37 THR CA . 6726 1 114 . 1 1 11 11 THR CB C 13 69.714 0.3 . 1 . . . . 37 THR CB . 6726 1 115 . 1 1 11 11 THR CG2 C 13 21.688 0.3 . 1 . . . . 37 THR CG2 . 6726 1 116 . 1 1 11 11 THR N N 15 120.519 0.3 . 1 . . . . 37 THR N . 6726 1 117 . 1 1 12 12 VAL H H 1 9.377 0.03 . 1 . . . . 38 VAL HN . 6726 1 118 . 1 1 12 12 VAL HA H 1 5.080 0.03 . 1 . . . . 38 VAL HA . 6726 1 119 . 1 1 12 12 VAL HB H 1 2.010 0.03 . 1 . . . . 38 VAL HB . 6726 1 120 . 1 1 12 12 VAL HG11 H 1 0.920 0.03 . 2 . . . . 38 VAL HG11 . 6726 1 121 . 1 1 12 12 VAL HG12 H 1 0.920 0.03 . 2 . . . . 38 VAL HG11 . 6726 1 122 . 1 1 12 12 VAL HG13 H 1 0.920 0.03 . 2 . . . . 38 VAL HG11 . 6726 1 123 . 1 1 12 12 VAL HG21 H 1 0.750 0.03 . 2 . . . . 38 VAL HG21 . 6726 1 124 . 1 1 12 12 VAL HG22 H 1 0.750 0.03 . 2 . . . . 38 VAL HG21 . 6726 1 125 . 1 1 12 12 VAL HG23 H 1 0.750 0.03 . 2 . . . . 38 VAL HG21 . 6726 1 126 . 1 1 12 12 VAL C C 13 175.398 0.3 . 1 . . . . 38 VAL C . 6726 1 127 . 1 1 12 12 VAL CA C 13 57.957 0.3 . 1 . . . . 38 VAL CA . 6726 1 128 . 1 1 12 12 VAL CB C 13 34.359 0.3 . 1 . . . . 38 VAL CB . 6726 1 129 . 1 1 12 12 VAL CG1 C 13 18.394 0.3 . 1 . . . . 38 VAL CG1 . 6726 1 130 . 1 1 12 12 VAL CG2 C 13 22.311 0.3 . 1 . . . . 38 VAL CG2 . 6726 1 131 . 1 1 12 12 VAL N N 15 118.188 0.3 . 1 . . . . 38 VAL N . 6726 1 132 . 1 1 13 13 LYS H H 1 9.125 0.03 . 1 . . . . 39 LYS HN . 6726 1 133 . 1 1 13 13 LYS HA H 1 4.669 0.03 . 1 . . . . 39 LYS HA . 6726 1 134 . 1 1 13 13 LYS HB2 H 1 1.961 0.03 . 2 . . . . 39 LYS HB1 . 6726 1 135 . 1 1 13 13 LYS HB3 H 1 1.667 0.03 . 2 . . . . 39 LYS HB2 . 6726 1 136 . 1 1 13 13 LYS HG2 H 1 1.585 0.03 . 2 . . . . 39 LYS HG1 . 6726 1 137 . 1 1 13 13 LYS HG3 H 1 1.307 0.03 . 2 . . . . 39 LYS HG2 . 6726 1 138 . 1 1 13 13 LYS HD2 H 1 1.688 0.03 . 2 . . . . 39 LYS HD1 . 6726 1 139 . 1 1 13 13 LYS HD3 H 1 1.671 0.03 . 2 . . . . 39 LYS HD2 . 6726 1 140 . 1 1 13 13 LYS HE2 H 1 3.000 0.03 . 2 . . . . 39 LYS HE1 . 6726 1 141 . 1 1 13 13 LYS HE3 H 1 2.957 0.03 . 2 . . . . 39 LYS HE2 . 6726 1 142 . 1 1 13 13 LYS C C 13 174.939 0.3 . 1 . . . . 39 LYS C . 6726 1 143 . 1 1 13 13 LYS CA C 13 55.514 0.3 . 1 . . . . 39 LYS CA . 6726 1 144 . 1 1 13 13 LYS CB C 13 30.198 0.3 . 1 . . . . 39 LYS CB . 6726 1 145 . 1 1 13 13 LYS CG C 13 25.028 0.3 . 1 . . . . 39 LYS CG . 6726 1 146 . 1 1 13 13 LYS CD C 13 29.676 0.3 . 1 . . . . 39 LYS CD . 6726 1 147 . 1 1 13 13 LYS CE C 13 41.973 0.3 . 1 . . . . 39 LYS CE . 6726 1 148 . 1 1 13 13 LYS N N 15 126.935 0.3 . 1 . . . . 39 LYS N . 6726 1 149 . 1 1 14 14 ALA H H 1 7.735 0.03 . 1 . . . . 40 ALA HN . 6726 1 150 . 1 1 14 14 ALA HA H 1 4.515 0.03 . 1 . . . . 40 ALA HA . 6726 1 151 . 1 1 14 14 ALA HB1 H 1 1.304 0.03 . 1 . . . . 40 ALA HB1 . 6726 1 152 . 1 1 14 14 ALA HB2 H 1 1.304 0.03 . 1 . . . . 40 ALA HB1 . 6726 1 153 . 1 1 14 14 ALA HB3 H 1 1.304 0.03 . 1 . . . . 40 ALA HB1 . 6726 1 154 . 1 1 14 14 ALA C C 13 176.001 0.3 . 1 . . . . 40 ALA C . 6726 1 155 . 1 1 14 14 ALA CA C 13 50.984 0.3 . 1 . . . . 40 ALA CA . 6726 1 156 . 1 1 14 14 ALA CB C 13 23.667 0.3 . 1 . . . . 40 ALA CB . 6726 1 157 . 1 1 14 14 ALA N N 15 121.628 0.3 . 1 . . . . 40 ALA N . 6726 1 158 . 1 1 15 15 ASP H H 1 8.282 0.03 . 1 . . . . 41 ASP HN . 6726 1 159 . 1 1 15 15 ASP HA H 1 4.560 0.03 . 1 . . . . 41 ASP HA . 6726 1 160 . 1 1 15 15 ASP HB2 H 1 3.160 0.03 . 2 . . . . 41 ASP HB1 . 6726 1 161 . 1 1 15 15 ASP HB3 H 1 2.846 0.03 . 2 . . . . 41 ASP HB2 . 6726 1 162 . 1 1 15 15 ASP C C 13 175.990 0.3 . 1 . . . . 41 ASP C . 6726 1 163 . 1 1 15 15 ASP CA C 13 53.072 0.3 . 1 . . . . 41 ASP CA . 6726 1 164 . 1 1 15 15 ASP CB C 13 41.657 0.3 . 1 . . . . 41 ASP CB . 6726 1 165 . 1 1 15 15 ASP N N 15 117.960 0.3 . 1 . . . . 41 ASP N . 6726 1 166 . 1 1 16 16 ARG H H 1 8.263 0.03 . 1 . . . . 42 ARG HN . 6726 1 167 . 1 1 16 16 ARG HA H 1 4.120 0.03 . 1 . . . . 42 ARG HA . 6726 1 168 . 1 1 16 16 ARG HB2 H 1 1.919 0.03 . 2 . . . . 42 ARG HB1 . 6726 1 169 . 1 1 16 16 ARG HB3 H 1 1.932 0.03 . 2 . . . . 42 ARG HB2 . 6726 1 170 . 1 1 16 16 ARG HG2 H 1 1.770 0.03 . 2 . . . . 42 ARG HG1 . 6726 1 171 . 1 1 16 16 ARG HG3 H 1 1.909 0.03 . 2 . . . . 42 ARG HG2 . 6726 1 172 . 1 1 16 16 ARG HD2 H 1 3.198 0.03 . 2 . . . . 42 ARG HD1 . 6726 1 173 . 1 1 16 16 ARG HD3 H 1 3.324 0.03 . 2 . . . . 42 ARG HD2 . 6726 1 174 . 1 1 16 16 ARG C C 13 178.126 0.3 . 1 . . . . 42 ARG C . 6726 1 175 . 1 1 16 16 ARG CA C 13 61.737 0.3 . 1 . . . . 42 ARG CA . 6726 1 176 . 1 1 16 16 ARG CB C 13 31.484 0.3 . 1 . . . . 42 ARG CB . 6726 1 177 . 1 1 16 16 ARG CG C 13 27.301 0.3 . 1 . . . . 42 ARG CG . 6726 1 178 . 1 1 16 16 ARG CD C 13 45.046 0.3 . 1 . . . . 42 ARG CD . 6726 1 179 . 1 1 16 16 ARG N N 15 119.488 0.3 . 1 . . . . 42 ARG N . 6726 1 180 . 1 1 17 17 LYS H H 1 8.222 0.03 . 1 . . . . 43 LYS HN . 6726 1 181 . 1 1 17 17 LYS HA H 1 3.868 0.03 . 1 . . . . 43 LYS HA . 6726 1 182 . 1 1 17 17 LYS HB2 H 1 1.700 0.03 . 2 . . . . 43 LYS HB1 . 6726 1 183 . 1 1 17 17 LYS HB3 H 1 1.860 0.03 . 2 . . . . 43 LYS HB2 . 6726 1 184 . 1 1 17 17 LYS HG2 H 1 1.098 0.03 . 2 . . . . 43 LYS HG1 . 6726 1 185 . 1 1 17 17 LYS HG3 H 1 1.343 0.03 . 2 . . . . 43 LYS HG2 . 6726 1 186 . 1 1 17 17 LYS HD2 H 1 1.390 0.03 . 2 . . . . 43 LYS HD1 . 6726 1 187 . 1 1 17 17 LYS HD3 H 1 1.520 0.03 . 2 . . . . 43 LYS HD2 . 6726 1 188 . 1 1 17 17 LYS HE2 H 1 2.978 0.03 . 2 . . . . 43 LYS HE1 . 6726 1 189 . 1 1 17 17 LYS HE3 H 1 2.951 0.03 . 2 . . . . 43 LYS HE2 . 6726 1 190 . 1 1 17 17 LYS C C 13 179.361 0.3 . 1 . . . . 43 LYS C . 6726 1 191 . 1 1 17 17 LYS CA C 13 60.454 0.3 . 1 . . . . 43 LYS CA . 6726 1 192 . 1 1 17 17 LYS CB C 13 31.800 0.3 . 1 . . . . 43 LYS CB . 6726 1 193 . 1 1 17 17 LYS CG C 13 25.358 0.3 . 1 . . . . 43 LYS CG . 6726 1 194 . 1 1 17 17 LYS CD C 13 29.197 0.3 . 1 . . . . 43 LYS CD . 6726 1 195 . 1 1 17 17 LYS CE C 13 41.951 0.3 . 1 . . . . 43 LYS CE . 6726 1 196 . 1 1 17 17 LYS N N 15 118.053 0.3 . 1 . . . . 43 LYS N . 6726 1 197 . 1 1 18 18 THR H H 1 8.202 0.03 . 1 . . . . 44 THR HN . 6726 1 198 . 1 1 18 18 THR HA H 1 3.961 0.03 . 1 . . . . 44 THR HA . 6726 1 199 . 1 1 18 18 THR HB H 1 4.135 0.03 . 1 . . . . 44 THR HB . 6726 1 200 . 1 1 18 18 THR HG21 H 1 1.155 0.03 . 1 . . . . 44 THR HG21 . 6726 1 201 . 1 1 18 18 THR HG22 H 1 1.155 0.03 . 1 . . . . 44 THR HG21 . 6726 1 202 . 1 1 18 18 THR HG23 H 1 1.155 0.03 . 1 . . . . 44 THR HG21 . 6726 1 203 . 1 1 18 18 THR C C 13 177.673 0.3 . 1 . . . . 44 THR C . 6726 1 204 . 1 1 18 18 THR CA C 13 66.634 0.3 . 1 . . . . 44 THR CA . 6726 1 205 . 1 1 18 18 THR CB C 13 67.786 0.3 . 1 . . . . 44 THR CB . 6726 1 206 . 1 1 18 18 THR CG2 C 13 20.962 0.3 . 1 . . . . 44 THR CG2 . 6726 1 207 . 1 1 18 18 THR N N 15 118.008 0.3 . 1 . . . . 44 THR N . 6726 1 208 . 1 1 19 19 ALA H H 1 8.905 0.03 . 1 . . . . 45 ALA HN . 6726 1 209 . 1 1 19 19 ALA HA H 1 4.010 0.03 . 1 . . . . 45 ALA HA . 6726 1 210 . 1 1 19 19 ALA HB1 H 1 1.600 0.03 . 1 . . . . 45 ALA HB1 . 6726 1 211 . 1 1 19 19 ALA HB2 H 1 1.600 0.03 . 1 . . . . 45 ALA HB1 . 6726 1 212 . 1 1 19 19 ALA HB3 H 1 1.600 0.03 . 1 . . . . 45 ALA HB1 . 6726 1 213 . 1 1 19 19 ALA C C 13 177.574 0.3 . 1 . . . . 45 ALA C . 6726 1 214 . 1 1 19 19 ALA CA C 13 56.330 0.3 . 1 . . . . 45 ALA CA . 6726 1 215 . 1 1 19 19 ALA CB C 13 18.274 0.3 . 1 . . . . 45 ALA CB . 6726 1 216 . 1 1 19 19 ALA N N 15 126.455 0.3 . 1 . . . . 45 ALA N . 6726 1 217 . 1 1 20 20 PHE H H 1 8.711 0.03 . 1 . . . . 46 PHE HN . 6726 1 218 . 1 1 20 20 PHE HA H 1 3.188 0.03 . 1 . . . . 46 PHE HA . 6726 1 219 . 1 1 20 20 PHE HB2 H 1 2.370 0.03 . 2 . . . . 46 PHE HB1 . 6726 1 220 . 1 1 20 20 PHE HB3 H 1 2.980 0.03 . 2 . . . . 46 PHE HB2 . 6726 1 221 . 1 1 20 20 PHE C C 13 176.820 0.3 . 1 . . . . 46 PHE C . 6726 1 222 . 1 1 20 20 PHE CA C 13 61.403 0.3 . 1 . . . . 46 PHE CA . 6726 1 223 . 1 1 20 20 PHE CB C 13 39.872 0.3 . 1 . . . . 46 PHE CB . 6726 1 224 . 1 1 20 20 PHE N N 15 119.228 0.3 . 1 . . . . 46 PHE N . 6726 1 225 . 1 1 21 21 LYS H H 1 8.037 0.03 . 1 . . . . 47 LYS HN . 6726 1 226 . 1 1 21 21 LYS HA H 1 4.196 0.03 . 1 . . . . 47 LYS HA . 6726 1 227 . 1 1 21 21 LYS HB2 H 1 1.981 0.03 . 2 . . . . 47 LYS HB1 . 6726 1 228 . 1 1 21 21 LYS HB3 H 1 2.120 0.03 . 2 . . . . 47 LYS HB2 . 6726 1 229 . 1 1 21 21 LYS HG2 H 1 1.540 0.03 . 2 . . . . 47 LYS HG1 . 6726 1 230 . 1 1 21 21 LYS HG3 H 1 1.362 0.03 . 2 . . . . 47 LYS HG2 . 6726 1 231 . 1 1 21 21 LYS HD2 H 1 1.638 0.03 . 2 . . . . 47 LYS HD1 . 6726 1 232 . 1 1 21 21 LYS HD3 H 1 1.752 0.03 . 2 . . . . 47 LYS HD2 . 6726 1 233 . 1 1 21 21 LYS HE2 H 1 2.959 0.03 . 2 . . . . 47 LYS HE1 . 6726 1 234 . 1 1 21 21 LYS HE3 H 1 3.161 0.03 . 2 . . . . 47 LYS HE2 . 6726 1 235 . 1 1 21 21 LYS C C 13 179.587 0.3 . 1 . . . . 47 LYS C . 6726 1 236 . 1 1 21 21 LYS CA C 13 60.079 0.3 . 1 . . . . 47 LYS CA . 6726 1 237 . 1 1 21 21 LYS CB C 13 32.793 0.3 . 1 . . . . 47 LYS CB . 6726 1 238 . 1 1 21 21 LYS CG C 13 25.091 0.3 . 1 . . . . 47 LYS CG . 6726 1 239 . 1 1 21 21 LYS CD C 13 29.430 0.3 . 1 . . . . 47 LYS CD . 6726 1 240 . 1 1 21 21 LYS CE C 13 42.000 0.3 . 1 . . . . 47 LYS CE . 6726 1 241 . 1 1 21 21 LYS N N 15 117.552 0.3 . 1 . . . . 47 LYS N . 6726 1 242 . 1 1 22 22 THR H H 1 8.557 0.03 . 1 . . . . 48 THR HN . 6726 1 243 . 1 1 22 22 THR HA H 1 4.125 0.03 . 1 . . . . 48 THR HA . 6726 1 244 . 1 1 22 22 THR HB H 1 4.394 0.03 . 1 . . . . 48 THR HB . 6726 1 245 . 1 1 22 22 THR HG21 H 1 1.313 0.03 . 1 . . . . 48 THR HG21 . 6726 1 246 . 1 1 22 22 THR HG22 H 1 1.313 0.03 . 1 . . . . 48 THR HG21 . 6726 1 247 . 1 1 22 22 THR HG23 H 1 1.313 0.03 . 1 . . . . 48 THR HG21 . 6726 1 248 . 1 1 22 22 THR C C 13 176.604 0.3 . 1 . . . . 48 THR C . 6726 1 249 . 1 1 22 22 THR CA C 13 67.101 0.3 . 1 . . . . 48 THR CA . 6726 1 250 . 1 1 22 22 THR CB C 13 68.605 0.3 . 1 . . . . 48 THR CB . 6726 1 251 . 1 1 22 22 THR CG2 C 13 20.848 0.3 . 1 . . . . 48 THR CG2 . 6726 1 252 . 1 1 22 22 THR N N 15 114.978 0.3 . 1 . . . . 48 THR N . 6726 1 253 . 1 1 23 23 PHE H H 1 8.768 0.03 . 1 . . . . 49 PHE HN . 6726 1 254 . 1 1 23 23 PHE HA H 1 4.280 0.03 . 1 . . . . 49 PHE HA . 6726 1 255 . 1 1 23 23 PHE HB2 H 1 3.301 0.03 . 2 . . . . 49 PHE HB1 . 6726 1 256 . 1 1 23 23 PHE HB3 H 1 3.120 0.03 . 2 . . . . 49 PHE HB2 . 6726 1 257 . 1 1 23 23 PHE C C 13 175.244 0.3 . 1 . . . . 49 PHE C . 6726 1 258 . 1 1 23 23 PHE CA C 13 62.069 0.3 . 1 . . . . 49 PHE CA . 6726 1 259 . 1 1 23 23 PHE CB C 13 39.844 0.3 . 1 . . . . 49 PHE CB . 6726 1 260 . 1 1 23 23 PHE N N 15 124.070 0.3 . 1 . . . . 49 PHE N . 6726 1 261 . 1 1 24 24 LEU H H 1 8.230 0.03 . 1 . . . . 50 LEU HN . 6726 1 262 . 1 1 24 24 LEU HA H 1 4.625 0.03 . 1 . . . . 50 LEU HA . 6726 1 263 . 1 1 24 24 LEU HB2 H 1 1.462 0.03 . 2 . . . . 50 LEU HB1 . 6726 1 264 . 1 1 24 24 LEU HB3 H 1 1.965 0.03 . 2 . . . . 50 LEU HB2 . 6726 1 265 . 1 1 24 24 LEU HG H 1 1.669 0.03 . 1 . . . . 50 LEU HG . 6726 1 266 . 1 1 24 24 LEU HD11 H 1 1.035 0.03 . 2 . . . . 50 LEU HD11 . 6726 1 267 . 1 1 24 24 LEU HD12 H 1 1.035 0.03 . 2 . . . . 50 LEU HD11 . 6726 1 268 . 1 1 24 24 LEU HD13 H 1 1.035 0.03 . 2 . . . . 50 LEU HD11 . 6726 1 269 . 1 1 24 24 LEU HD21 H 1 1.126 0.03 . 2 . . . . 50 LEU HD21 . 6726 1 270 . 1 1 24 24 LEU HD22 H 1 1.126 0.03 . 2 . . . . 50 LEU HD21 . 6726 1 271 . 1 1 24 24 LEU HD23 H 1 1.126 0.03 . 2 . . . . 50 LEU HD21 . 6726 1 272 . 1 1 24 24 LEU C C 13 176.837 0.3 . 1 . . . . 50 LEU C . 6726 1 273 . 1 1 24 24 LEU CA C 13 58.885 0.3 . 1 . . . . 50 LEU CA . 6726 1 274 . 1 1 24 24 LEU CB C 13 43.347 0.3 . 1 . . . . 50 LEU CB . 6726 1 275 . 1 1 24 24 LEU CG C 13 27.875 0.3 . 1 . . . . 50 LEU CG . 6726 1 276 . 1 1 24 24 LEU CD1 C 13 23.603 0.3 . 1 . . . . 50 LEU CD1 . 6726 1 277 . 1 1 24 24 LEU CD2 C 13 26.336 0.3 . 1 . . . . 50 LEU CD2 . 6726 1 278 . 1 1 24 24 LEU N N 15 113.837 0.3 . 1 . . . . 50 LEU N . 6726 1 279 . 1 1 25 25 GLU H H 1 8.618 0.03 . 1 . . . . 51 GLU HN . 6726 1 280 . 1 1 25 25 GLU HA H 1 4.516 0.03 . 1 . . . . 51 GLU HA . 6726 1 281 . 1 1 25 25 GLU HB2 H 1 2.531 0.03 . 1 . . . . 51 GLU HB1 . 6726 1 282 . 1 1 25 25 GLU HB3 H 1 2.531 0.03 . 1 . . . . 51 GLU HB2 . 6726 1 283 . 1 1 25 25 GLU HG2 H 1 2.268 0.03 . 2 . . . . 51 GLU HG1 . 6726 1 284 . 1 1 25 25 GLU HG3 H 1 2.520 0.03 . 2 . . . . 51 GLU HG2 . 6726 1 285 . 1 1 25 25 GLU C C 13 178.109 0.3 . 1 . . . . 51 GLU C . 6726 1 286 . 1 1 25 25 GLU CA C 13 57.706 0.3 . 1 . . . . 51 GLU CA . 6726 1 287 . 1 1 25 25 GLU CB C 13 30.656 0.3 . 1 . . . . 51 GLU CB . 6726 1 288 . 1 1 25 25 GLU CG C 13 38.001 0.3 . 1 . . . . 51 GLU CG . 6726 1 289 . 1 1 25 25 GLU N N 15 111.648 0.3 . 1 . . . . 51 GLU N . 6726 1 290 . 1 1 26 26 GLY H H 1 7.873 0.03 . 1 . . . . 52 GLY HN . 6726 1 291 . 1 1 26 26 GLY HA2 H 1 4.290 0.03 . 2 . . . . 52 GLY HA1 . 6726 1 292 . 1 1 26 26 GLY HA3 H 1 4.560 0.03 . 2 . . . . 52 GLY HA2 . 6726 1 293 . 1 1 26 26 GLY C C 13 173.696 0.3 . 1 . . . . 52 GLY C . 6726 1 294 . 1 1 26 26 GLY CA C 13 46.105 0.3 . 1 . . . . 52 GLY CA . 6726 1 295 . 1 1 26 26 GLY N N 15 106.856 0.3 . 1 . . . . 52 GLY N . 6726 1 296 . 1 1 27 27 PHE H H 1 6.385 0.03 . 1 . . . . 53 PHE HN . 6726 1 297 . 1 1 27 27 PHE HA H 1 2.960 0.03 . 1 . . . . 53 PHE HA . 6726 1 298 . 1 1 27 27 PHE HB2 H 1 2.175 0.03 . 2 . . . . 53 PHE HB1 . 6726 1 299 . 1 1 27 27 PHE HB3 H 1 2.845 0.03 . 2 . . . . 53 PHE HB2 . 6726 1 300 . 1 1 27 27 PHE CA C 13 60.370 0.3 . 1 . . . . 53 PHE CA . 6726 1 301 . 1 1 27 27 PHE CB C 13 38.503 0.3 . 1 . . . . 53 PHE CB . 6726 1 302 . 1 1 27 27 PHE N N 15 122.388 0.3 . 1 . . . . 53 PHE N . 6726 1 303 . 1 1 28 28 PRO HA H 1 4.245 0.03 . 1 . . . . 54 PRO HA . 6726 1 304 . 1 1 28 28 PRO HB2 H 1 1.952 0.03 . 2 . . . . 54 PRO HB1 . 6726 1 305 . 1 1 28 28 PRO HB3 H 1 2.251 0.03 . 2 . . . . 54 PRO HB2 . 6726 1 306 . 1 1 28 28 PRO HG2 H 1 1.553 0.03 . 2 . . . . 54 PRO HG2 . 6726 1 307 . 1 1 28 28 PRO HD2 H 1 3.344 0.03 . 2 . . . . 54 PRO HD1 . 6726 1 308 . 1 1 28 28 PRO HD3 H 1 3.085 0.03 . 2 . . . . 54 PRO HD2 . 6726 1 309 . 1 1 28 28 PRO C C 13 177.632 0.3 . 1 . . . . 54 PRO C . 6726 1 310 . 1 1 28 28 PRO CA C 13 65.007 0.3 . 1 . . . . 54 PRO CA . 6726 1 311 . 1 1 28 28 PRO CB C 13 30.971 0.3 . 1 . . . . 54 PRO CB . 6726 1 312 . 1 1 28 28 PRO CG C 13 27.354 0.3 . 1 . . . . 54 PRO CG . 6726 1 313 . 1 1 28 28 PRO CD C 13 50.494 0.3 . 1 . . . . 54 PRO CD . 6726 1 314 . 1 1 29 29 GLU H H 1 7.996 0.03 . 1 . . . . 55 GLU HN . 6726 1 315 . 1 1 29 29 GLU HA H 1 4.278 0.03 . 1 . . . . 55 GLU HA . 6726 1 316 . 1 1 29 29 GLU HB2 H 1 2.200 0.03 . 2 . . . . 55 GLU HB1 . 6726 1 317 . 1 1 29 29 GLU HB3 H 1 2.150 0.03 . 2 . . . . 55 GLU HB2 . 6726 1 318 . 1 1 29 29 GLU HG2 H 1 2.285 0.03 . 2 . . . . 55 GLU HG1 . 6726 1 319 . 1 1 29 29 GLU HG3 H 1 2.257 0.03 . 2 . . . . 55 GLU HG2 . 6726 1 320 . 1 1 29 29 GLU C C 13 176.837 0.3 . 1 . . . . 55 GLU C . 6726 1 321 . 1 1 29 29 GLU CA C 13 56.805 0.3 . 1 . . . . 55 GLU CA . 6726 1 322 . 1 1 29 29 GLU CB C 13 30.971 0.3 . 1 . . . . 55 GLU CB . 6726 1 323 . 1 1 29 29 GLU CG C 13 36.580 0.3 . 1 . . . . 55 GLU CG . 6726 1 324 . 1 1 29 29 GLU N N 15 111.620 0.3 . 1 . . . . 55 GLU N . 6726 1 325 . 1 1 30 30 TRP H H 1 6.915 0.03 . 1 . . . . 56 TRP HN . 6726 1 326 . 1 1 30 30 TRP HA H 1 4.936 0.03 . 1 . . . . 56 TRP HA . 6726 1 327 . 1 1 30 30 TRP HB2 H 1 2.712 0.03 . 2 . . . . 56 TRP HB1 . 6726 1 328 . 1 1 30 30 TRP HB3 H 1 3.579 0.03 . 2 . . . . 56 TRP HB2 . 6726 1 329 . 1 1 30 30 TRP HE1 H 1 10.247 0.03 . 1 . . . . 56 TRP HE1 . 6726 1 330 . 1 1 30 30 TRP C C 13 175.931 0.3 . 1 . . . . 56 TRP C . 6726 1 331 . 1 1 30 30 TRP CA C 13 55.750 0.3 . 1 . . . . 56 TRP CA . 6726 1 332 . 1 1 30 30 TRP CB C 13 31.803 0.3 . 1 . . . . 56 TRP CB . 6726 1 333 . 1 1 30 30 TRP N N 15 112.422 0.3 . 1 . . . . 56 TRP N . 6726 1 334 . 1 1 30 30 TRP NE1 N 15 129.510 0.3 . 1 . . . . 56 TRP NE1 . 6726 1 335 . 1 1 31 31 TRP H H 1 7.465 0.03 . 1 . . . . 57 TRP HN . 6726 1 336 . 1 1 31 31 TRP HA H 1 3.974 0.03 . 1 . . . . 57 TRP HA . 6726 1 337 . 1 1 31 31 TRP HB2 H 1 2.088 0.03 . 2 . . . . 57 TRP HB1 . 6726 1 338 . 1 1 31 31 TRP HB3 H 1 2.144 0.03 . 2 . . . . 57 TRP HB2 . 6726 1 339 . 1 1 31 31 TRP HE1 H 1 10.438 0.03 . 1 . . . . 57 TRP HE1 . 6726 1 340 . 1 1 31 31 TRP CA C 13 57.243 0.3 . 1 . . . . 57 TRP CA . 6726 1 341 . 1 1 31 31 TRP CB C 13 28.355 0.3 . 1 . . . . 57 TRP CB . 6726 1 342 . 1 1 31 31 TRP N N 15 128.441 0.3 . 1 . . . . 57 TRP N . 6726 1 343 . 1 1 31 31 TRP NE1 N 15 129.138 0.3 . 1 . . . . 57 TRP NE1 . 6726 1 344 . 1 1 32 32 PRO HA H 1 4.090 0.03 . 1 . . . . 58 PRO HA . 6726 1 345 . 1 1 32 32 PRO HB2 H 1 1.271 0.03 . 2 . . . . 58 PRO HB1 . 6726 1 346 . 1 1 32 32 PRO HB3 H 1 1.943 0.03 . 2 . . . . 58 PRO HB2 . 6726 1 347 . 1 1 32 32 PRO HG2 H 1 0.873 0.03 . 2 . . . . 58 PRO HG1 . 6726 1 348 . 1 1 32 32 PRO HG3 H 1 1.530 0.03 . 2 . . . . 58 PRO HG2 . 6726 1 349 . 1 1 32 32 PRO HD3 H 1 3.310 0.03 . 2 . . . . 58 PRO HD2 . 6726 1 350 . 1 1 32 32 PRO C C 13 178.819 0.3 . 1 . . . . 58 PRO C . 6726 1 351 . 1 1 32 32 PRO CA C 13 61.174 0.3 . 1 . . . . 58 PRO CA . 6726 1 352 . 1 1 32 32 PRO CG C 13 27.572 0.3 . 1 . . . . 58 PRO CG . 6726 1 353 . 1 1 32 32 PRO CD C 13 49.481 0.3 . 1 . . . . 58 PRO CD . 6726 1 354 . 1 1 33 33 ASN H H 1 8.777 0.03 . 1 . . . . 59 ASN HN . 6726 1 355 . 1 1 33 33 ASN HA H 1 4.251 0.03 . 1 . . . . 59 ASN HA . 6726 1 356 . 1 1 33 33 ASN HB2 H 1 2.786 0.03 . 2 . . . . 59 ASN HB1 . 6726 1 357 . 1 1 33 33 ASN HB3 H 1 2.595 0.03 . 2 . . . . 59 ASN HB2 . 6726 1 358 . 1 1 33 33 ASN HD21 H 1 8.272 0.03 . 2 . . . . 59 ASN HD21 . 6726 1 359 . 1 1 33 33 ASN HD22 H 1 7.148 0.03 . 2 . . . . 59 ASN HD22 . 6726 1 360 . 1 1 33 33 ASN C C 13 174.569 0.3 . 1 . . . . 59 ASN C . 6726 1 361 . 1 1 33 33 ASN CA C 13 56.769 0.3 . 1 . . . . 59 ASN CA . 6726 1 362 . 1 1 33 33 ASN CB C 13 39.452 0.3 . 1 . . . . 59 ASN CB . 6726 1 363 . 1 1 33 33 ASN N N 15 123.937 0.3 . 1 . . . . 59 ASN N . 6726 1 364 . 1 1 33 33 ASN ND2 N 15 112.939 0.3 . 1 . . . . 59 ASN ND2 . 6726 1 365 . 1 1 34 34 ASN H H 1 8.405 0.03 . 1 . . . . 60 ASN HN . 6726 1 366 . 1 1 34 34 ASN HA H 1 4.609 0.03 . 1 . . . . 60 ASN HA . 6726 1 367 . 1 1 34 34 ASN HB2 H 1 2.736 0.03 . 2 . . . . 60 ASN HB1 . 6726 1 368 . 1 1 34 34 ASN HB3 H 1 2.911 0.03 . 2 . . . . 60 ASN HB2 . 6726 1 369 . 1 1 34 34 ASN HD21 H 1 7.526 0.03 . 2 . . . . 60 ASN HD21 . 6726 1 370 . 1 1 34 34 ASN HD22 H 1 6.623 0.03 . 2 . . . . 60 ASN HD22 . 6726 1 371 . 1 1 34 34 ASN C C 13 174.862 0.3 . 1 . . . . 60 ASN C . 6726 1 372 . 1 1 34 34 ASN CA C 13 53.097 0.3 . 1 . . . . 60 ASN CA . 6726 1 373 . 1 1 34 34 ASN CB C 13 37.006 0.3 . 1 . . . . 60 ASN CB . 6726 1 374 . 1 1 34 34 ASN N N 15 110.142 0.3 . 1 . . . . 60 ASN N . 6726 1 375 . 1 1 34 34 ASN ND2 N 15 112.010 0.3 . 1 . . . . 60 ASN ND2 . 6726 1 376 . 1 1 35 35 PHE H H 1 7.507 0.03 . 1 . . . . 61 PHE HN . 6726 1 377 . 1 1 35 35 PHE HA H 1 4.850 0.03 . 1 . . . . 61 PHE HA . 6726 1 378 . 1 1 35 35 PHE HB2 H 1 2.811 0.03 . 2 . . . . 61 PHE HB1 . 6726 1 379 . 1 1 35 35 PHE HB3 H 1 3.300 0.03 . 2 . . . . 61 PHE HB2 . 6726 1 380 . 1 1 35 35 PHE C C 13 175.118 0.3 . 1 . . . . 61 PHE C . 6726 1 381 . 1 1 35 35 PHE CA C 13 55.612 0.3 . 1 . . . . 61 PHE CA . 6726 1 382 . 1 1 35 35 PHE CB C 13 36.741 0.3 . 1 . . . . 61 PHE CB . 6726 1 383 . 1 1 35 35 PHE N N 15 123.622 0.3 . 1 . . . . 61 PHE N . 6726 1 384 . 1 1 36 36 ARG H H 1 7.458 0.03 . 1 . . . . 62 ARG HN . 6726 1 385 . 1 1 36 36 ARG HA H 1 4.520 0.03 . 1 . . . . 62 ARG HA . 6726 1 386 . 1 1 36 36 ARG HB2 H 1 1.271 0.03 . 2 . . . . 62 ARG HB1 . 6726 1 387 . 1 1 36 36 ARG HB3 H 1 2.251 0.03 . 2 . . . . 62 ARG HB2 . 6726 1 388 . 1 1 36 36 ARG HG2 H 1 1.993 0.03 . 2 . . . . 62 ARG HG1 . 6726 1 389 . 1 1 36 36 ARG HG3 H 1 1.752 0.03 . 2 . . . . 62 ARG HG2 . 6726 1 390 . 1 1 36 36 ARG HD2 H 1 2.909 0.03 . 2 . . . . 62 ARG HD1 . 6726 1 391 . 1 1 36 36 ARG HD3 H 1 3.610 0.03 . 2 . . . . 62 ARG HD2 . 6726 1 392 . 1 1 36 36 ARG C C 13 175.902 0.3 . 1 . . . . 62 ARG C . 6726 1 393 . 1 1 36 36 ARG CA C 13 52.864 0.3 . 1 . . . . 62 ARG CA . 6726 1 394 . 1 1 36 36 ARG CB C 13 36.026 0.3 . 1 . . . . 62 ARG CB . 6726 1 395 . 1 1 36 36 ARG CG C 13 27.149 0.3 . 1 . . . . 62 ARG CG . 6726 1 396 . 1 1 36 36 ARG CD C 13 42.400 0.3 . 1 . . . . 62 ARG CD . 6726 1 397 . 1 1 36 36 ARG N N 15 123.091 0.3 . 1 . . . . 62 ARG N . 6726 1 398 . 1 1 37 37 THR H H 1 11.224 0.03 . 1 . . . . 63 THR HN . 6726 1 399 . 1 1 37 37 THR HA H 1 4.471 0.03 . 1 . . . . 63 THR HA . 6726 1 400 . 1 1 37 37 THR HB H 1 3.988 0.03 . 1 . . . . 63 THR HB . 6726 1 401 . 1 1 37 37 THR HG21 H 1 0.911 0.03 . 1 . . . . 63 THR HG21 . 6726 1 402 . 1 1 37 37 THR HG22 H 1 0.911 0.03 . 1 . . . . 63 THR HG21 . 6726 1 403 . 1 1 37 37 THR HG23 H 1 0.911 0.03 . 1 . . . . 63 THR HG21 . 6726 1 404 . 1 1 37 37 THR C C 13 175.588 0.3 . 1 . . . . 63 THR C . 6726 1 405 . 1 1 37 37 THR CA C 13 63.131 0.3 . 1 . . . . 63 THR CA . 6726 1 406 . 1 1 37 37 THR CB C 13 70.405 0.3 . 1 . . . . 63 THR CB . 6726 1 407 . 1 1 37 37 THR CG2 C 13 21.779 0.3 . 1 . . . . 63 THR CG2 . 6726 1 408 . 1 1 37 37 THR N N 15 116.923 0.3 . 1 . . . . 63 THR N . 6726 1 409 . 1 1 38 38 THR H H 1 9.397 0.03 . 1 . . . . 64 THR HN . 6726 1 410 . 1 1 38 38 THR HA H 1 4.400 0.03 . 1 . . . . 64 THR HA . 6726 1 411 . 1 1 38 38 THR HB H 1 4.050 0.03 . 1 . . . . 64 THR HB . 6726 1 412 . 1 1 38 38 THR HG21 H 1 0.668 0.03 . 1 . . . . 64 THR HG21 . 6726 1 413 . 1 1 38 38 THR HG22 H 1 0.668 0.03 . 1 . . . . 64 THR HG21 . 6726 1 414 . 1 1 38 38 THR HG23 H 1 0.668 0.03 . 1 . . . . 64 THR HG21 . 6726 1 415 . 1 1 38 38 THR C C 13 174.468 0.3 . 1 . . . . 64 THR C . 6726 1 416 . 1 1 38 38 THR CA C 13 61.285 0.3 . 1 . . . . 64 THR CA . 6726 1 417 . 1 1 38 38 THR CB C 13 68.882 0.3 . 1 . . . . 64 THR CB . 6726 1 418 . 1 1 38 38 THR CG2 C 13 21.036 0.3 . 1 . . . . 64 THR CG2 . 6726 1 419 . 1 1 38 38 THR N N 15 117.707 0.3 . 1 . . . . 64 THR N . 6726 1 420 . 1 1 39 39 LYS H H 1 8.018 0.03 . 1 . . . . 65 LYS HN . 6726 1 421 . 1 1 39 39 LYS HA H 1 4.490 0.03 . 1 . . . . 65 LYS HA . 6726 1 422 . 1 1 39 39 LYS HB2 H 1 1.789 0.03 . 2 . . . . 65 LYS HB1 . 6726 1 423 . 1 1 39 39 LYS HB3 H 1 1.782 0.03 . 2 . . . . 65 LYS HB2 . 6726 1 424 . 1 1 39 39 LYS HG2 H 1 1.350 0.03 . 2 . . . . 65 LYS HG1 . 6726 1 425 . 1 1 39 39 LYS HG3 H 1 1.493 0.03 . 2 . . . . 65 LYS HG2 . 6726 1 426 . 1 1 39 39 LYS HD2 H 1 1.677 0.03 . 2 . . . . 65 LYS HD1 . 6726 1 427 . 1 1 39 39 LYS HD3 H 1 2.259 0.03 . 2 . . . . 65 LYS HD2 . 6726 1 428 . 1 1 39 39 LYS HE2 H 1 2.927 0.03 . 2 . . . . 65 LYS HE1 . 6726 1 429 . 1 1 39 39 LYS HE3 H 1 2.946 0.03 . 2 . . . . 65 LYS HE2 . 6726 1 430 . 1 1 39 39 LYS C C 13 174.811 0.3 . 1 . . . . 65 LYS C . 6726 1 431 . 1 1 39 39 LYS CA C 13 55.115 0.3 . 1 . . . . 65 LYS CA . 6726 1 432 . 1 1 39 39 LYS CB C 13 35.861 0.3 . 1 . . . . 65 LYS CB . 6726 1 433 . 1 1 39 39 LYS CG C 13 24.309 0.3 . 1 . . . . 65 LYS CG . 6726 1 434 . 1 1 39 39 LYS CD C 13 29.389 0.3 . 1 . . . . 65 LYS CD . 6726 1 435 . 1 1 39 39 LYS CE C 13 42.120 0.3 . 1 . . . . 65 LYS CE . 6726 1 436 . 1 1 39 39 LYS N N 15 122.223 0.3 . 1 . . . . 65 LYS N . 6726 1 437 . 1 1 40 40 VAL H H 1 8.186 0.03 . 1 . . . . 66 VAL HN . 6726 1 438 . 1 1 40 40 VAL HA H 1 3.524 0.03 . 1 . . . . 66 VAL HA . 6726 1 439 . 1 1 40 40 VAL HB H 1 1.950 0.03 . 1 . . . . 66 VAL HB . 6726 1 440 . 1 1 40 40 VAL HG11 H 1 0.878 0.03 . 2 . . . . 66 VAL HG11 . 6726 1 441 . 1 1 40 40 VAL HG12 H 1 0.878 0.03 . 2 . . . . 66 VAL HG11 . 6726 1 442 . 1 1 40 40 VAL HG13 H 1 0.878 0.03 . 2 . . . . 66 VAL HG11 . 6726 1 443 . 1 1 40 40 VAL HG21 H 1 1.028 0.03 . 2 . . . . 66 VAL HG21 . 6726 1 444 . 1 1 40 40 VAL HG22 H 1 1.028 0.03 . 2 . . . . 66 VAL HG21 . 6726 1 445 . 1 1 40 40 VAL HG23 H 1 1.028 0.03 . 2 . . . . 66 VAL HG21 . 6726 1 446 . 1 1 40 40 VAL C C 13 177.234 0.3 . 1 . . . . 66 VAL C . 6726 1 447 . 1 1 40 40 VAL CA C 13 65.026 0.3 . 1 . . . . 66 VAL CA . 6726 1 448 . 1 1 40 40 VAL CB C 13 31.815 0.3 . 1 . . . . 66 VAL CB . 6726 1 449 . 1 1 40 40 VAL CG1 C 13 21.074 0.3 . 1 . . . . 66 VAL CG1 . 6726 1 450 . 1 1 40 40 VAL CG2 C 13 21.754 0.3 . 1 . . . . 66 VAL CG2 . 6726 1 451 . 1 1 40 40 VAL N N 15 121.023 0.3 . 1 . . . . 66 VAL N . 6726 1 452 . 1 1 41 41 GLY H H 1 8.217 0.03 . 1 . . . . 67 GLY HN . 6726 1 453 . 1 1 41 41 GLY HA2 H 1 3.693 0.03 . 2 . . . . 67 GLY HA1 . 6726 1 454 . 1 1 41 41 GLY HA3 H 1 4.132 0.03 . 2 . . . . 67 GLY HA2 . 6726 1 455 . 1 1 41 41 GLY C C 13 174.408 0.3 . 1 . . . . 67 GLY C . 6726 1 456 . 1 1 41 41 GLY CA C 13 45.468 0.3 . 1 . . . . 67 GLY CA . 6726 1 457 . 1 1 41 41 GLY N N 15 112.834 0.3 . 1 . . . . 67 GLY N . 6726 1 458 . 1 1 42 42 ALA H H 1 7.692 0.03 . 1 . . . . 68 ALA HN . 6726 1 459 . 1 1 42 42 ALA HA H 1 4.480 0.03 . 1 . . . . 68 ALA HA . 6726 1 460 . 1 1 42 42 ALA HB1 H 1 1.580 0.03 . 1 . . . . 68 ALA HB1 . 6726 1 461 . 1 1 42 42 ALA HB2 H 1 1.580 0.03 . 1 . . . . 68 ALA HB1 . 6726 1 462 . 1 1 42 42 ALA HB3 H 1 1.580 0.03 . 1 . . . . 68 ALA HB1 . 6726 1 463 . 1 1 42 42 ALA CA C 13 51.702 0.3 . 1 . . . . 68 ALA CA . 6726 1 464 . 1 1 42 42 ALA CB C 13 18.626 0.3 . 1 . . . . 68 ALA CB . 6726 1 465 . 1 1 42 42 ALA N N 15 124.864 0.3 . 1 . . . . 68 ALA N . 6726 1 466 . 1 1 43 43 PRO HA H 1 4.270 0.03 . 1 . . . . 69 PRO HA . 6726 1 467 . 1 1 43 43 PRO HB2 H 1 1.905 0.03 . 2 . . . . 69 PRO HB1 . 6726 1 468 . 1 1 43 43 PRO HB3 H 1 2.392 0.03 . 2 . . . . 69 PRO HB2 . 6726 1 469 . 1 1 43 43 PRO HD2 H 1 3.682 0.03 . 2 . . . . 69 PRO HD1 . 6726 1 470 . 1 1 43 43 PRO HD3 H 1 3.774 0.03 . 2 . . . . 69 PRO HD2 . 6726 1 471 . 1 1 43 43 PRO C C 13 174.599 0.3 . 1 . . . . 69 PRO C . 6726 1 472 . 1 1 43 43 PRO CA C 13 63.505 0.3 . 1 . . . . 69 PRO CA . 6726 1 473 . 1 1 43 43 PRO CB C 13 32.522 0.3 . 1 . . . . 69 PRO CB . 6726 1 474 . 1 1 43 43 PRO CG C 13 27.542 0.3 . 1 . . . . 69 PRO CG . 6726 1 475 . 1 1 43 43 PRO CD C 13 50.601 0.3 . 1 . . . . 69 PRO CD . 6726 1 476 . 1 1 44 44 LEU H H 1 7.669 0.03 . 1 . . . . 70 LEU HN . 6726 1 477 . 1 1 44 44 LEU HA H 1 5.249 0.03 . 1 . . . . 70 LEU HA . 6726 1 478 . 1 1 44 44 LEU HB2 H 1 1.080 0.03 . 2 . . . . 70 LEU HB1 . 6726 1 479 . 1 1 44 44 LEU HB3 H 1 1.050 0.03 . 2 . . . . 70 LEU HB2 . 6726 1 480 . 1 1 44 44 LEU HD11 H 1 0.815 0.03 . 2 . . . . 70 LEU HD11 . 6726 1 481 . 1 1 44 44 LEU HD12 H 1 0.815 0.03 . 2 . . . . 70 LEU HD11 . 6726 1 482 . 1 1 44 44 LEU HD13 H 1 0.815 0.03 . 2 . . . . 70 LEU HD11 . 6726 1 483 . 1 1 44 44 LEU C C 13 176.848 0.3 . 1 . . . . 70 LEU C . 6726 1 484 . 1 1 44 44 LEU CA C 13 52.214 0.3 . 1 . . . . 70 LEU CA . 6726 1 485 . 1 1 44 44 LEU CB C 13 45.659 0.3 . 1 . . . . 70 LEU CB . 6726 1 486 . 1 1 44 44 LEU CG C 13 26.460 0.3 . 1 . . . . 70 LEU CG . 6726 1 487 . 1 1 44 44 LEU CD1 C 13 23.578 0.3 . 1 . . . . 70 LEU CD1 . 6726 1 488 . 1 1 44 44 LEU N N 15 118.867 0.3 . 1 . . . . 70 LEU N . 6726 1 489 . 1 1 45 45 GLY H H 1 8.293 0.03 . 1 . . . . 71 GLY HN . 6726 1 490 . 1 1 45 45 GLY HA2 H 1 4.060 0.03 . 2 . . . . 71 GLY HA1 . 6726 1 491 . 1 1 45 45 GLY HA3 H 1 2.811 0.03 . 2 . . . . 71 GLY HA2 . 6726 1 492 . 1 1 45 45 GLY C C 13 169.852 0.3 . 1 . . . . 71 GLY C . 6726 1 493 . 1 1 45 45 GLY CA C 13 44.226 0.3 . 1 . . . . 71 GLY CA . 6726 1 494 . 1 1 45 45 GLY N N 15 105.693 0.3 . 1 . . . . 71 GLY N . 6726 1 495 . 1 1 46 46 VAL H H 1 8.185 0.03 . 1 . . . . 72 VAL HN . 6726 1 496 . 1 1 46 46 VAL HA H 1 5.002 0.03 . 1 . . . . 72 VAL HA . 6726 1 497 . 1 1 46 46 VAL HB H 1 2.180 0.03 . 1 . . . . 72 VAL HB . 6726 1 498 . 1 1 46 46 VAL HG11 H 1 1.139 0.03 . 2 . . . . 72 VAL HG11 . 6726 1 499 . 1 1 46 46 VAL HG12 H 1 1.139 0.03 . 2 . . . . 72 VAL HG11 . 6726 1 500 . 1 1 46 46 VAL HG13 H 1 1.139 0.03 . 2 . . . . 72 VAL HG11 . 6726 1 501 . 1 1 46 46 VAL HG21 H 1 1.246 0.03 . 2 . . . . 72 VAL HG21 . 6726 1 502 . 1 1 46 46 VAL HG22 H 1 1.246 0.03 . 2 . . . . 72 VAL HG21 . 6726 1 503 . 1 1 46 46 VAL HG23 H 1 1.246 0.03 . 2 . . . . 72 VAL HG21 . 6726 1 504 . 1 1 46 46 VAL C C 13 174.452 0.3 . 1 . . . . 72 VAL C . 6726 1 505 . 1 1 46 46 VAL CA C 13 59.693 0.3 . 1 . . . . 72 VAL CA . 6726 1 506 . 1 1 46 46 VAL CB C 13 35.185 0.3 . 1 . . . . 72 VAL CB . 6726 1 507 . 1 1 46 46 VAL CG1 C 13 19.374 0.3 . 1 . . . . 72 VAL CG1 . 6726 1 508 . 1 1 46 46 VAL CG2 C 13 21.639 0.3 . 1 . . . . 72 VAL CG2 . 6726 1 509 . 1 1 46 46 VAL N N 15 115.894 0.3 . 1 . . . . 72 VAL N . 6726 1 510 . 1 1 47 47 ASP H H 1 9.246 0.03 . 1 . . . . 73 ASP HN . 6726 1 511 . 1 1 47 47 ASP HA H 1 5.200 0.03 . 1 . . . . 73 ASP HA . 6726 1 512 . 1 1 47 47 ASP HB2 H 1 2.817 0.03 . 2 . . . . 73 ASP HB1 . 6726 1 513 . 1 1 47 47 ASP HB3 H 1 3.090 0.03 . 2 . . . . 73 ASP HB2 . 6726 1 514 . 1 1 47 47 ASP CA C 13 51.167 0.3 . 1 . . . . 73 ASP CA . 6726 1 515 . 1 1 47 47 ASP CB C 13 42.064 0.3 . 1 . . . . 73 ASP CB . 6726 1 516 . 1 1 47 47 ASP N N 15 127.113 0.3 . 1 . . . . 73 ASP N . 6726 1 517 . 1 1 48 48 LYS H H 1 9.301 0.03 . 1 . . . . 74 LYS HN . 6726 1 518 . 1 1 48 48 LYS HA H 1 4.174 0.03 . 1 . . . . 74 LYS HA . 6726 1 519 . 1 1 48 48 LYS HB2 H 1 2.105 0.03 . 2 . . . . 74 LYS HB1 . 6726 1 520 . 1 1 48 48 LYS HB3 H 1 1.926 0.03 . 2 . . . . 74 LYS HB2 . 6726 1 521 . 1 1 48 48 LYS HG2 H 1 1.636 0.03 . 2 . . . . 74 LYS HG1 . 6726 1 522 . 1 1 48 48 LYS HG3 H 1 1.534 0.03 . 2 . . . . 74 LYS HG2 . 6726 1 523 . 1 1 48 48 LYS HD2 H 1 1.697 0.03 . 2 . . . . 74 LYS HD1 . 6726 1 524 . 1 1 48 48 LYS HD3 H 1 2.143 0.03 . 2 . . . . 74 LYS HD2 . 6726 1 525 . 1 1 48 48 LYS HE2 H 1 2.676 0.03 . 2 . . . . 74 LYS HE1 . 6726 1 526 . 1 1 48 48 LYS HE3 H 1 3.009 0.03 . 2 . . . . 74 LYS HE2 . 6726 1 527 . 1 1 48 48 LYS C C 13 178.280 0.3 . 1 . . . . 74 LYS C . 6726 1 528 . 1 1 48 48 LYS CA C 13 59.847 0.3 . 1 . . . . 74 LYS CA . 6726 1 529 . 1 1 48 48 LYS CB C 13 32.630 0.3 . 1 . . . . 74 LYS CB . 6726 1 530 . 1 1 48 48 LYS CG C 13 25.070 0.3 . 1 . . . . 74 LYS CG . 6726 1 531 . 1 1 48 48 LYS CD C 13 29.425 0.3 . 1 . . . . 74 LYS CD . 6726 1 532 . 1 1 48 48 LYS CE C 13 41.915 0.3 . 1 . . . . 74 LYS CE . 6726 1 533 . 1 1 48 48 LYS N N 15 124.247 0.3 . 1 . . . . 74 LYS N . 6726 1 534 . 1 1 49 49 LYS H H 1 8.307 0.03 . 1 . . . . 75 LYS HN . 6726 1 535 . 1 1 49 49 LYS HA H 1 4.175 0.03 . 1 . . . . 75 LYS HA . 6726 1 536 . 1 1 49 49 LYS HB2 H 1 1.731 0.03 . 2 . . . . 75 LYS HB1 . 6726 1 537 . 1 1 49 49 LYS HB3 H 1 1.936 0.03 . 2 . . . . 75 LYS HB2 . 6726 1 538 . 1 1 49 49 LYS HG2 H 1 1.453 0.03 . 2 . . . . 75 LYS HG1 . 6726 1 539 . 1 1 49 49 LYS HG3 H 1 1.514 0.03 . 2 . . . . 75 LYS HG2 . 6726 1 540 . 1 1 49 49 LYS HD2 H 1 1.731 0.03 . 2 . . . . 75 LYS HD2 . 6726 1 541 . 1 1 49 49 LYS HE2 H 1 3.030 0.03 . 2 . . . . 75 LYS HE2 . 6726 1 542 . 1 1 49 49 LYS C C 13 178.745 0.3 . 1 . . . . 75 LYS C . 6726 1 543 . 1 1 49 49 LYS CA C 13 59.257 0.3 . 1 . . . . 75 LYS CA . 6726 1 544 . 1 1 49 49 LYS CB C 13 32.394 0.3 . 1 . . . . 75 LYS CB . 6726 1 545 . 1 1 49 49 LYS CG C 13 24.939 0.3 . 1 . . . . 75 LYS CG . 6726 1 546 . 1 1 49 49 LYS CD C 13 28.994 0.3 . 1 . . . . 75 LYS CD . 6726 1 547 . 1 1 49 49 LYS CE C 13 41.953 0.3 . 1 . . . . 75 LYS CE . 6726 1 548 . 1 1 49 49 LYS N N 15 120.582 0.3 . 1 . . . . 75 LYS N . 6726 1 549 . 1 1 50 50 GLY H H 1 8.700 0.03 . 1 . . . . 76 GLY HN . 6726 1 550 . 1 1 50 50 GLY HA2 H 1 3.720 0.03 . 2 . . . . 76 GLY HA1 . 6726 1 551 . 1 1 50 50 GLY HA3 H 1 4.140 0.03 . 2 . . . . 76 GLY HA2 . 6726 1 552 . 1 1 50 50 GLY C C 13 174.393 0.3 . 1 . . . . 76 GLY C . 6726 1 553 . 1 1 50 50 GLY CA C 13 45.567 0.3 . 1 . . . . 76 GLY CA . 6726 1 554 . 1 1 50 50 GLY N N 15 106.621 0.3 . 1 . . . . 76 GLY N . 6726 1 555 . 1 1 51 51 GLY H H 1 7.538 0.03 . 1 . . . . 77 GLY HN . 6726 1 556 . 1 1 51 51 GLY HA2 H 1 3.990 0.03 . 2 . . . . 77 GLY HA1 . 6726 1 557 . 1 1 51 51 GLY HA3 H 1 3.811 0.03 . 2 . . . . 77 GLY HA2 . 6726 1 558 . 1 1 51 51 GLY C C 13 175.000 0.3 . 1 . . . . 77 GLY C . 6726 1 559 . 1 1 51 51 GLY CA C 13 48.090 0.3 . 1 . . . . 77 GLY CA . 6726 1 560 . 1 1 51 51 GLY N N 15 110.159 0.3 . 1 . . . . 77 GLY N . 6726 1 561 . 1 1 52 52 ARG H H 1 8.649 0.03 . 1 . . . . 78 ARG HN . 6726 1 562 . 1 1 52 52 ARG HA H 1 5.340 0.03 . 1 . . . . 78 ARG HA . 6726 1 563 . 1 1 52 52 ARG HB2 H 1 1.950 0.03 . 2 . . . . 78 ARG HB1 . 6726 1 564 . 1 1 52 52 ARG HB3 H 1 1.807 0.03 . 2 . . . . 78 ARG HB2 . 6726 1 565 . 1 1 52 52 ARG HG2 H 1 1.752 0.03 . 2 . . . . 78 ARG HG1 . 6726 1 566 . 1 1 52 52 ARG HG3 H 1 1.993 0.03 . 2 . . . . 78 ARG HG2 . 6726 1 567 . 1 1 52 52 ARG HD2 H 1 3.248 0.03 . 2 . . . . 78 ARG HD2 . 6726 1 568 . 1 1 52 52 ARG C C 13 174.958 0.3 . 1 . . . . 78 ARG C . 6726 1 569 . 1 1 52 52 ARG CA C 13 55.207 0.3 . 1 . . . . 78 ARG CA . 6726 1 570 . 1 1 52 52 ARG CB C 13 35.690 0.3 . 1 . . . . 78 ARG CB . 6726 1 571 . 1 1 52 52 ARG CG C 13 27.000 0.3 . 1 . . . . 78 ARG CG . 6726 1 572 . 1 1 52 52 ARG CD C 13 42.300 0.3 . 1 . . . . 78 ARG CD . 6726 1 573 . 1 1 52 52 ARG N N 15 118.259 0.3 . 1 . . . . 78 ARG N . 6726 1 574 . 1 1 53 53 TRP H H 1 8.887 0.03 . 1 . . . . 79 TRP HN . 6726 1 575 . 1 1 53 53 TRP HA H 1 5.118 0.03 . 1 . . . . 79 TRP HA . 6726 1 576 . 1 1 53 53 TRP HB2 H 1 2.361 0.03 . 2 . . . . 79 TRP HB1 . 6726 1 577 . 1 1 53 53 TRP HE1 H 1 10.245 0.03 . 1 . . . . 79 TRP HE1 . 6726 1 578 . 1 1 53 53 TRP C C 13 175.212 0.3 . 1 . . . . 79 TRP C . 6726 1 579 . 1 1 53 53 TRP CA C 13 54.338 0.3 . 1 . . . . 79 TRP CA . 6726 1 580 . 1 1 53 53 TRP CB C 13 31.286 0.3 . 1 . . . . 79 TRP CB . 6726 1 581 . 1 1 53 53 TRP N N 15 123.864 0.3 . 1 . . . . 79 TRP N . 6726 1 582 . 1 1 53 53 TRP NE1 N 15 129.421 0.3 . 1 . . . . 79 TRP NE1 . 6726 1 583 . 1 1 54 54 TYR H H 1 8.367 0.03 . 1 . . . . 80 TYR HN . 6726 1 584 . 1 1 54 54 TYR HA H 1 5.597 0.03 . 1 . . . . 80 TYR HA . 6726 1 585 . 1 1 54 54 TYR HB2 H 1 2.663 0.03 . 2 . . . . 80 TYR HB1 . 6726 1 586 . 1 1 54 54 TYR HB3 H 1 2.662 0.03 . 2 . . . . 80 TYR HB2 . 6726 1 587 . 1 1 54 54 TYR C C 13 171.285 0.3 . 1 . . . . 80 TYR C . 6726 1 588 . 1 1 54 54 TYR CA C 13 55.194 0.3 . 1 . . . . 80 TYR CA . 6726 1 589 . 1 1 54 54 TYR CB C 13 42.764 0.3 . 1 . . . . 80 TYR CB . 6726 1 590 . 1 1 54 54 TYR N N 15 118.458 0.3 . 1 . . . . 80 TYR N . 6726 1 591 . 1 1 55 55 GLU H H 1 8.840 0.03 . 1 . . . . 81 GLU HN . 6726 1 592 . 1 1 55 55 GLU HA H 1 5.320 0.03 . 1 . . . . 81 GLU HA . 6726 1 593 . 1 1 55 55 GLU HB2 H 1 1.976 0.03 . 2 . . . . 81 GLU HB1 . 6726 1 594 . 1 1 55 55 GLU HB3 H 1 2.256 0.03 . 2 . . . . 81 GLU HB2 . 6726 1 595 . 1 1 55 55 GLU HG2 H 1 2.070 0.03 . 2 . . . . 81 GLU HG1 . 6726 1 596 . 1 1 55 55 GLU HG3 H 1 2.200 0.03 . 2 . . . . 81 GLU HG2 . 6726 1 597 . 1 1 55 55 GLU C C 13 174.866 0.3 . 1 . . . . 81 GLU C . 6726 1 598 . 1 1 55 55 GLU CA C 13 53.795 0.3 . 1 . . . . 81 GLU CA . 6726 1 599 . 1 1 55 55 GLU CB C 13 35.205 0.3 . 1 . . . . 81 GLU CB . 6726 1 600 . 1 1 55 55 GLU CG C 13 36.400 0.3 . 1 . . . . 81 GLU CG . 6726 1 601 . 1 1 55 55 GLU N N 15 120.735 0.3 . 1 . . . . 81 GLU N . 6726 1 602 . 1 1 56 56 ILE H H 1 8.808 0.03 . 1 . . . . 82 ILE HN . 6726 1 603 . 1 1 56 56 ILE HA H 1 4.928 0.03 . 1 . . . . 82 ILE HA . 6726 1 604 . 1 1 56 56 ILE HB H 1 1.715 0.03 . 1 . . . . 82 ILE HB . 6726 1 605 . 1 1 56 56 ILE HG12 H 1 1.530 0.03 . 1 . . . . 82 ILE HG11 . 6726 1 606 . 1 1 56 56 ILE HG13 H 1 1.030 0.03 . 1 . . . . 82 ILE HG12 . 6726 1 607 . 1 1 56 56 ILE HG21 H 1 1.060 0.03 . 1 . . . . 82 ILE HG21 . 6726 1 608 . 1 1 56 56 ILE HG22 H 1 1.060 0.03 . 1 . . . . 82 ILE HG21 . 6726 1 609 . 1 1 56 56 ILE HG23 H 1 1.060 0.03 . 1 . . . . 82 ILE HG21 . 6726 1 610 . 1 1 56 56 ILE HD11 H 1 0.909 0.03 . 1 . . . . 82 ILE HD11 . 6726 1 611 . 1 1 56 56 ILE HD12 H 1 0.909 0.03 . 1 . . . . 82 ILE HD11 . 6726 1 612 . 1 1 56 56 ILE HD13 H 1 0.909 0.03 . 1 . . . . 82 ILE HD11 . 6726 1 613 . 1 1 56 56 ILE C C 13 175.917 0.3 . 1 . . . . 82 ILE C . 6726 1 614 . 1 1 56 56 ILE CA C 13 61.097 0.3 . 1 . . . . 82 ILE CA . 6726 1 615 . 1 1 56 56 ILE CB C 13 40.083 0.3 . 1 . . . . 82 ILE CB . 6726 1 616 . 1 1 56 56 ILE CG1 C 13 28.884 0.3 . 1 . . . . 82 ILE CG1 . 6726 1 617 . 1 1 56 56 ILE CG2 C 13 18.491 0.3 . 1 . . . . 82 ILE CG2 . 6726 1 618 . 1 1 56 56 ILE CD1 C 13 14.785 0.3 . 1 . . . . 82 ILE CD1 . 6726 1 619 . 1 1 56 56 ILE N N 15 126.445 0.3 . 1 . . . . 82 ILE N . 6726 1 620 . 1 1 57 57 ASP H H 1 8.690 0.03 . 1 . . . . 83 ASP HN . 6726 1 621 . 1 1 57 57 ASP HA H 1 5.025 0.03 . 1 . . . . 83 ASP HA . 6726 1 622 . 1 1 57 57 ASP HB2 H 1 2.615 0.03 . 2 . . . . 83 ASP HB1 . 6726 1 623 . 1 1 57 57 ASP HB3 H 1 3.528 0.03 . 2 . . . . 83 ASP HB2 . 6726 1 624 . 1 1 57 57 ASP C C 13 178.860 0.3 . 1 . . . . 83 ASP C . 6726 1 625 . 1 1 57 57 ASP CA C 13 52.629 0.3 . 1 . . . . 83 ASP CA . 6726 1 626 . 1 1 57 57 ASP CB C 13 42.374 0.3 . 1 . . . . 83 ASP CB . 6726 1 627 . 1 1 57 57 ASP N N 15 124.406 0.3 . 1 . . . . 83 ASP N . 6726 1 628 . 1 1 58 58 GLU H H 1 8.375 0.03 . 1 . . . . 84 GLU HN . 6726 1 629 . 1 1 58 58 GLU HA H 1 4.104 0.03 . 1 . . . . 84 GLU HA . 6726 1 630 . 1 1 58 58 GLU HB2 H 1 2.134 0.03 . 2 . . . . 84 GLU HB1 . 6726 1 631 . 1 1 58 58 GLU HB3 H 1 2.060 0.03 . 2 . . . . 84 GLU HB2 . 6726 1 632 . 1 1 58 58 GLU HG2 H 1 2.400 0.03 . 2 . . . . 84 GLU HG1 . 6726 1 633 . 1 1 58 58 GLU HG3 H 1 2.340 0.03 . 2 . . . . 84 GLU HG2 . 6726 1 634 . 1 1 58 58 GLU C C 13 177.661 0.3 . 1 . . . . 84 GLU C . 6726 1 635 . 1 1 58 58 GLU CA C 13 59.064 0.3 . 1 . . . . 84 GLU CA . 6726 1 636 . 1 1 58 58 GLU CB C 13 29.681 0.3 . 1 . . . . 84 GLU CB . 6726 1 637 . 1 1 58 58 GLU CG C 13 37.080 0.3 . 1 . . . . 84 GLU CG . 6726 1 638 . 1 1 58 58 GLU N N 15 116.514 0.3 . 1 . . . . 84 GLU N . 6726 1 639 . 1 1 59 59 GLN H H 1 8.348 0.03 . 1 . . . . 85 GLN HN . 6726 1 640 . 1 1 59 59 GLN HA H 1 4.508 0.03 . 1 . . . . 85 GLN HA . 6726 1 641 . 1 1 59 59 GLN HB2 H 1 2.380 0.03 . 2 . . . . 85 GLN HB1 . 6726 1 642 . 1 1 59 59 GLN HB3 H 1 2.227 0.03 . 2 . . . . 85 GLN HB2 . 6726 1 643 . 1 1 59 59 GLN HG2 H 1 2.370 0.03 . 2 . . . . 85 GLN HG1 . 6726 1 644 . 1 1 59 59 GLN HG3 H 1 2.410 0.03 . 2 . . . . 85 GLN HG2 . 6726 1 645 . 1 1 59 59 GLN HE21 H 1 6.796 0.03 . 2 . . . . 85 GLN HE21 . 6726 1 646 . 1 1 59 59 GLN HE22 H 1 7.581 0.03 . 2 . . . . 85 GLN HE22 . 6726 1 647 . 1 1 59 59 GLN C C 13 176.387 0.3 . 1 . . . . 85 GLN C . 6726 1 648 . 1 1 59 59 GLN CA C 13 55.718 0.3 . 1 . . . . 85 GLN CA . 6726 1 649 . 1 1 59 59 GLN CB C 13 29.155 0.3 . 1 . . . . 85 GLN CB . 6726 1 650 . 1 1 59 59 GLN CG C 13 34.800 0.3 . 1 . . . . 85 GLN CG . 6726 1 651 . 1 1 59 59 GLN N N 15 117.492 0.3 . 1 . . . . 85 GLN N . 6726 1 652 . 1 1 59 59 GLN NE2 N 15 111.911 0.3 . 1 . . . . 85 GLN NE2 . 6726 1 653 . 1 1 60 60 GLY H H 1 8.230 0.03 . 1 . . . . 86 GLY HN . 6726 1 654 . 1 1 60 60 GLY HA2 H 1 3.517 0.03 . 2 . . . . 86 GLY HA1 . 6726 1 655 . 1 1 60 60 GLY HA3 H 1 4.224 0.03 . 2 . . . . 86 GLY HA2 . 6726 1 656 . 1 1 60 60 GLY C C 13 175.687 0.3 . 1 . . . . 86 GLY C . 6726 1 657 . 1 1 60 60 GLY CA C 13 45.380 0.3 . 1 . . . . 86 GLY CA . 6726 1 658 . 1 1 60 60 GLY N N 15 108.913 0.3 . 1 . . . . 86 GLY N . 6726 1 659 . 1 1 61 61 GLU H H 1 8.368 0.03 . 1 . . . . 87 GLU HN . 6726 1 660 . 1 1 61 61 GLU HA H 1 4.212 0.03 . 1 . . . . 87 GLU HA . 6726 1 661 . 1 1 61 61 GLU HB2 H 1 1.926 0.03 . 1 . . . . 87 GLU HB1 . 6726 1 662 . 1 1 61 61 GLU HB3 H 1 1.926 0.03 . 1 . . . . 87 GLU HB2 . 6726 1 663 . 1 1 61 61 GLU HG2 H 1 1.960 0.03 . 2 . . . . 87 GLU HG1 . 6726 1 664 . 1 1 61 61 GLU HG3 H 1 2.168 0.03 . 2 . . . . 87 GLU HG2 . 6726 1 665 . 1 1 61 61 GLU C C 13 175.387 0.3 . 1 . . . . 87 GLU C . 6726 1 666 . 1 1 61 61 GLU CA C 13 55.989 0.3 . 1 . . . . 87 GLU CA . 6726 1 667 . 1 1 61 61 GLU CB C 13 29.724 0.3 . 1 . . . . 87 GLU CB . 6726 1 668 . 1 1 61 61 GLU CG C 13 36.070 0.3 . 1 . . . . 87 GLU CG . 6726 1 669 . 1 1 61 61 GLU N N 15 123.249 0.3 . 1 . . . . 87 GLU N . 6726 1 670 . 1 1 62 62 GLU H H 1 8.303 0.03 . 1 . . . . 88 GLU HN . 6726 1 671 . 1 1 62 62 GLU HA H 1 4.780 0.03 . 1 . . . . 88 GLU HA . 6726 1 672 . 1 1 62 62 GLU HB2 H 1 1.640 0.03 . 2 . . . . 88 GLU HB1 . 6726 1 673 . 1 1 62 62 GLU HB3 H 1 1.114 0.03 . 2 . . . . 88 GLU HB2 . 6726 1 674 . 1 1 62 62 GLU HG2 H 1 2.179 0.03 . 2 . . . . 88 GLU HG1 . 6726 1 675 . 1 1 62 62 GLU HG3 H 1 1.825 0.03 . 2 . . . . 88 GLU HG2 . 6726 1 676 . 1 1 62 62 GLU C C 13 177.088 0.3 . 1 . . . . 88 GLU C . 6726 1 677 . 1 1 62 62 GLU CA C 13 55.027 0.3 . 1 . . . . 88 GLU CA . 6726 1 678 . 1 1 62 62 GLU CB C 13 30.638 0.3 . 1 . . . . 88 GLU CB . 6726 1 679 . 1 1 62 62 GLU CG C 13 35.663 0.3 . 1 . . . . 88 GLU CG . 6726 1 680 . 1 1 62 62 GLU N N 15 120.958 0.3 . 1 . . . . 88 GLU N . 6726 1 681 . 1 1 63 63 HIS H H 1 9.881 0.03 . 1 . . . . 89 HIS HN . 6726 1 682 . 1 1 63 63 HIS HA H 1 4.629 0.03 . 1 . . . . 89 HIS HA . 6726 1 683 . 1 1 63 63 HIS HB2 H 1 2.860 0.03 . 2 . . . . 89 HIS HB1 . 6726 1 684 . 1 1 63 63 HIS HB3 H 1 3.040 0.03 . 2 . . . . 89 HIS HB2 . 6726 1 685 . 1 1 63 63 HIS C C 13 176.001 0.3 . 1 . . . . 89 HIS C . 6726 1 686 . 1 1 63 63 HIS CA C 13 55.034 0.3 . 1 . . . . 89 HIS CA . 6726 1 687 . 1 1 63 63 HIS CB C 13 31.283 0.3 . 1 . . . . 89 HIS CB . 6726 1 688 . 1 1 63 63 HIS N N 15 125.402 0.3 . 1 . . . . 89 HIS N . 6726 1 689 . 1 1 64 64 THR HA H 1 4.461 0.03 . 1 . . . . 90 THR HA . 6726 1 690 . 1 1 64 64 THR HB H 1 3.984 0.03 . 1 . . . . 90 THR HB . 6726 1 691 . 1 1 64 64 THR HG21 H 1 0.914 0.03 . 1 . . . . 90 THR HG21 . 6726 1 692 . 1 1 64 64 THR HG22 H 1 0.914 0.03 . 1 . . . . 90 THR HG21 . 6726 1 693 . 1 1 64 64 THR HG23 H 1 0.914 0.03 . 1 . . . . 90 THR HG21 . 6726 1 694 . 1 1 64 64 THR CA C 13 63.226 0.3 . 1 . . . . 90 THR CA . 6726 1 695 . 1 1 64 64 THR CB C 13 70.484 0.3 . 1 . . . . 90 THR CB . 6726 1 696 . 1 1 64 64 THR CG2 C 13 21.700 0.3 . 1 . . . . 90 THR CG2 . 6726 1 697 . 1 1 65 65 PHE H H 1 8.839 0.03 . 1 . . . . 91 PHE HN . 6726 1 698 . 1 1 65 65 PHE HA H 1 5.282 0.03 . 1 . . . . 91 PHE HA . 6726 1 699 . 1 1 65 65 PHE HB2 H 1 2.691 0.03 . 2 . . . . 91 PHE HB1 . 6726 1 700 . 1 1 65 65 PHE HB3 H 1 3.080 0.03 . 2 . . . . 91 PHE HB2 . 6726 1 701 . 1 1 65 65 PHE C C 13 172.508 0.3 . 1 . . . . 91 PHE C . 6726 1 702 . 1 1 65 65 PHE CA C 13 55.712 0.3 . 1 . . . . 91 PHE CA . 6726 1 703 . 1 1 65 65 PHE CB C 13 40.203 0.3 . 1 . . . . 91 PHE CB . 6726 1 704 . 1 1 65 65 PHE N N 15 120.264 0.3 . 1 . . . . 91 PHE N . 6726 1 705 . 1 1 66 66 GLY H H 1 7.628 0.03 . 1 . . . . 92 GLY HN . 6726 1 706 . 1 1 66 66 GLY HA2 H 1 3.122 0.03 . 2 . . . . 92 GLY HA1 . 6726 1 707 . 1 1 66 66 GLY HA3 H 1 5.490 0.03 . 2 . . . . 92 GLY HA2 . 6726 1 708 . 1 1 66 66 GLY C C 13 170.683 0.3 . 1 . . . . 92 GLY C . 6726 1 709 . 1 1 66 66 GLY CA C 13 44.070 0.3 . 1 . . . . 92 GLY CA . 6726 1 710 . 1 1 66 66 GLY N N 15 108.848 0.3 . 1 . . . . 92 GLY N . 6726 1 711 . 1 1 67 67 LEU H H 1 9.079 0.03 . 1 . . . . 93 LEU HN . 6726 1 712 . 1 1 67 67 LEU HA H 1 4.906 0.03 . 1 . . . . 93 LEU HA . 6726 1 713 . 1 1 67 67 LEU HB2 H 1 1.463 0.03 . 1 . . . . 93 LEU HB1 . 6726 1 714 . 1 1 67 67 LEU HB3 H 1 1.463 0.03 . 1 . . . . 93 LEU HB2 . 6726 1 715 . 1 1 67 67 LEU HG H 1 1.278 0.03 . 1 . . . . 93 LEU HG . 6726 1 716 . 1 1 67 67 LEU HD11 H 1 0.830 0.03 . 2 . . . . 93 LEU HD11 . 6726 1 717 . 1 1 67 67 LEU HD12 H 1 0.830 0.03 . 2 . . . . 93 LEU HD11 . 6726 1 718 . 1 1 67 67 LEU HD13 H 1 0.830 0.03 . 2 . . . . 93 LEU HD11 . 6726 1 719 . 1 1 67 67 LEU HD21 H 1 0.830 0.03 . 2 . . . . 93 LEU HD21 . 6726 1 720 . 1 1 67 67 LEU HD22 H 1 0.830 0.03 . 2 . . . . 93 LEU HD21 . 6726 1 721 . 1 1 67 67 LEU HD23 H 1 0.830 0.03 . 2 . . . . 93 LEU HD21 . 6726 1 722 . 1 1 67 67 LEU C C 13 175.184 0.3 . 1 . . . . 93 LEU C . 6726 1 723 . 1 1 67 67 LEU CA C 13 52.152 0.3 . 1 . . . . 93 LEU CA . 6726 1 724 . 1 1 67 67 LEU CB C 13 43.146 0.3 . 1 . . . . 93 LEU CB . 6726 1 725 . 1 1 67 67 LEU CG C 13 26.800 0.3 . 1 . . . . 93 LEU CG . 6726 1 726 . 1 1 67 67 LEU CD1 C 13 25.200 0.3 . 1 . . . . 93 LEU CD1 . 6726 1 727 . 1 1 67 67 LEU CD2 C 13 23.400 0.3 . 1 . . . . 93 LEU CD2 . 6726 1 728 . 1 1 67 67 LEU N N 15 124.820 0.3 . 1 . . . . 93 LEU N . 6726 1 729 . 1 1 68 68 ILE H H 1 8.433 0.03 . 1 . . . . 94 ILE HN . 6726 1 730 . 1 1 68 68 ILE HA H 1 3.629 0.03 . 1 . . . . 94 ILE HA . 6726 1 731 . 1 1 68 68 ILE HB H 1 1.470 0.03 . 1 . . . . 94 ILE HB . 6726 1 732 . 1 1 68 68 ILE HG12 H 1 0.875 0.03 . 1 . . . . 94 ILE HG11 . 6726 1 733 . 1 1 68 68 ILE HG13 H 1 0.340 0.03 . 1 . . . . 94 ILE HG12 . 6726 1 734 . 1 1 68 68 ILE HG21 H 1 0.600 0.03 . 1 . . . . 94 ILE HG21 . 6726 1 735 . 1 1 68 68 ILE HG22 H 1 0.600 0.03 . 1 . . . . 94 ILE HG21 . 6726 1 736 . 1 1 68 68 ILE HG23 H 1 0.600 0.03 . 1 . . . . 94 ILE HG21 . 6726 1 737 . 1 1 68 68 ILE HD11 H 1 0.300 0.03 . 1 . . . . 94 ILE HD11 . 6726 1 738 . 1 1 68 68 ILE HD12 H 1 0.300 0.03 . 1 . . . . 94 ILE HD11 . 6726 1 739 . 1 1 68 68 ILE HD13 H 1 0.300 0.03 . 1 . . . . 94 ILE HD11 . 6726 1 740 . 1 1 68 68 ILE C C 13 175.500 0.3 . 1 . . . . 94 ILE C . 6726 1 741 . 1 1 68 68 ILE CA C 13 62.364 0.3 . 1 . . . . 94 ILE CA . 6726 1 742 . 1 1 68 68 ILE CB C 13 36.323 0.3 . 1 . . . . 94 ILE CB . 6726 1 743 . 1 1 68 68 ILE CG1 C 13 26.912 0.3 . 1 . . . . 94 ILE CG1 . 6726 1 744 . 1 1 68 68 ILE CG2 C 13 18.743 0.3 . 1 . . . . 94 ILE CG2 . 6726 1 745 . 1 1 68 68 ILE CD1 C 13 12.200 0.3 . 1 . . . . 94 ILE CD1 . 6726 1 746 . 1 1 68 68 ILE N N 15 125.324 0.3 . 1 . . . . 94 ILE N . 6726 1 747 . 1 1 69 69 ARG H H 1 8.727 0.03 . 1 . . . . 95 ARG HN . 6726 1 748 . 1 1 69 69 ARG HA H 1 4.258 0.03 . 1 . . . . 95 ARG HA . 6726 1 749 . 1 1 69 69 ARG HB2 H 1 1.339 0.03 . 2 . . . . 95 ARG HB1 . 6726 1 750 . 1 1 69 69 ARG HB3 H 1 1.590 0.03 . 2 . . . . 95 ARG HB2 . 6726 1 751 . 1 1 69 69 ARG HG2 H 1 1.784 0.03 . 2 . . . . 95 ARG HG2 . 6726 1 752 . 1 1 69 69 ARG HD2 H 1 2.974 0.03 . 2 . . . . 95 ARG HD1 . 6726 1 753 . 1 1 69 69 ARG HD3 H 1 2.940 0.03 . 2 . . . . 95 ARG HD2 . 6726 1 754 . 1 1 69 69 ARG C C 13 176.325 0.3 . 1 . . . . 95 ARG C . 6726 1 755 . 1 1 69 69 ARG CA C 13 57.481 0.3 . 1 . . . . 95 ARG CA . 6726 1 756 . 1 1 69 69 ARG CB C 13 31.600 0.3 . 1 . . . . 95 ARG CB . 6726 1 757 . 1 1 69 69 ARG CG C 13 27.672 0.3 . 1 . . . . 95 ARG CG . 6726 1 758 . 1 1 69 69 ARG CD C 13 43.466 0.3 . 1 . . . . 95 ARG CD . 6726 1 759 . 1 1 69 69 ARG N N 15 130.079 0.3 . 1 . . . . 95 ARG N . 6726 1 760 . 1 1 70 70 LYS H H 1 7.565 0.03 . 1 . . . . 96 LYS HN . 6726 1 761 . 1 1 70 70 LYS HA H 1 4.455 0.03 . 1 . . . . 96 LYS HA . 6726 1 762 . 1 1 70 70 LYS HB2 H 1 1.703 0.03 . 2 . . . . 96 LYS HB1 . 6726 1 763 . 1 1 70 70 LYS HB3 H 1 1.549 0.03 . 2 . . . . 96 LYS HB2 . 6726 1 764 . 1 1 70 70 LYS HG2 H 1 1.150 0.03 . 2 . . . . 96 LYS HG1 . 6726 1 765 . 1 1 70 70 LYS HG3 H 1 1.364 0.03 . 2 . . . . 96 LYS HG2 . 6726 1 766 . 1 1 70 70 LYS HE2 H 1 2.706 0.03 . 2 . . . . 96 LYS HE1 . 6726 1 767 . 1 1 70 70 LYS HE3 H 1 2.885 0.03 . 2 . . . . 96 LYS HE2 . 6726 1 768 . 1 1 70 70 LYS C C 13 173.824 0.3 . 1 . . . . 96 LYS C . 6726 1 769 . 1 1 70 70 LYS CA C 13 56.687 0.3 . 1 . . . . 96 LYS CA . 6726 1 770 . 1 1 70 70 LYS CB C 13 35.897 0.3 . 1 . . . . 96 LYS CB . 6726 1 771 . 1 1 70 70 LYS CG C 13 25.160 0.3 . 1 . . . . 96 LYS CG . 6726 1 772 . 1 1 70 70 LYS CD C 13 29.251 0.3 . 1 . . . . 96 LYS CD . 6726 1 773 . 1 1 70 70 LYS CE C 13 42.200 0.3 . 1 . . . . 96 LYS CE . 6726 1 774 . 1 1 70 70 LYS N N 15 118.509 0.3 . 1 . . . . 96 LYS N . 6726 1 775 . 1 1 71 71 VAL H H 1 8.711 0.03 . 1 . . . . 97 VAL HN . 6726 1 776 . 1 1 71 71 VAL HA H 1 4.376 0.03 . 1 . . . . 97 VAL HA . 6726 1 777 . 1 1 71 71 VAL HB H 1 2.186 0.03 . 1 . . . . 97 VAL HB . 6726 1 778 . 1 1 71 71 VAL HG11 H 1 0.891 0.03 . 2 . . . . 97 VAL HG11 . 6726 1 779 . 1 1 71 71 VAL HG12 H 1 0.891 0.03 . 2 . . . . 97 VAL HG11 . 6726 1 780 . 1 1 71 71 VAL HG13 H 1 0.891 0.03 . 2 . . . . 97 VAL HG11 . 6726 1 781 . 1 1 71 71 VAL HG21 H 1 1.164 0.03 . 2 . . . . 97 VAL HG21 . 6726 1 782 . 1 1 71 71 VAL HG22 H 1 1.164 0.03 . 2 . . . . 97 VAL HG21 . 6726 1 783 . 1 1 71 71 VAL HG23 H 1 1.164 0.03 . 2 . . . . 97 VAL HG21 . 6726 1 784 . 1 1 71 71 VAL C C 13 174.117 0.3 . 1 . . . . 97 VAL C . 6726 1 785 . 1 1 71 71 VAL CA C 13 62.108 0.3 . 1 . . . . 97 VAL CA . 6726 1 786 . 1 1 71 71 VAL CB C 13 34.281 0.3 . 1 . . . . 97 VAL CB . 6726 1 787 . 1 1 71 71 VAL CG1 C 13 21.400 0.3 . 1 . . . . 97 VAL CG1 . 6726 1 788 . 1 1 71 71 VAL CG2 C 13 21.837 0.3 . 1 . . . . 97 VAL CG2 . 6726 1 789 . 1 1 71 71 VAL N N 15 126.082 0.3 . 1 . . . . 97 VAL N . 6726 1 790 . 1 1 72 72 ASP H H 1 8.771 0.03 . 1 . . . . 98 ASP HN . 6726 1 791 . 1 1 72 72 ASP HA H 1 5.113 0.03 . 1 . . . . 98 ASP HA . 6726 1 792 . 1 1 72 72 ASP HB2 H 1 2.414 0.03 . 2 . . . . 98 ASP HB1 . 6726 1 793 . 1 1 72 72 ASP HB3 H 1 2.950 0.03 . 2 . . . . 98 ASP HB2 . 6726 1 794 . 1 1 72 72 ASP C C 13 174.817 0.3 . 1 . . . . 98 ASP C . 6726 1 795 . 1 1 72 72 ASP CA C 13 52.138 0.3 . 1 . . . . 98 ASP CA . 6726 1 796 . 1 1 72 72 ASP CB C 13 40.931 0.3 . 1 . . . . 98 ASP CB . 6726 1 797 . 1 1 72 72 ASP N N 15 129.469 0.3 . 1 . . . . 98 ASP N . 6726 1 798 . 1 1 73 73 GLU H H 1 8.549 0.03 . 1 . . . . 99 GLU HN . 6726 1 799 . 1 1 73 73 GLU HA H 1 2.973 0.03 . 1 . . . . 99 GLU HA . 6726 1 800 . 1 1 73 73 GLU HB2 H 1 1.475 0.03 . 2 . . . . 99 GLU HB1 . 6726 1 801 . 1 1 73 73 GLU HB3 H 1 1.665 0.03 . 2 . . . . 99 GLU HB2 . 6726 1 802 . 1 1 73 73 GLU HG2 H 1 1.470 0.03 . 1 . . . . 99 GLU HG1 . 6726 1 803 . 1 1 73 73 GLU HG3 H 1 1.470 0.03 . 1 . . . . 99 GLU HG2 . 6726 1 804 . 1 1 73 73 GLU CA C 13 54.395 0.3 . 1 . . . . 99 GLU CA . 6726 1 805 . 1 1 73 73 GLU CB C 13 30.631 0.3 . 1 . . . . 99 GLU CB . 6726 1 806 . 1 1 73 73 GLU CG C 13 35.183 0.3 . 1 . . . . 99 GLU CG . 6726 1 807 . 1 1 73 73 GLU N N 15 125.499 0.3 . 1 . . . . 99 GLU N . 6726 1 808 . 1 1 74 74 PRO HB2 H 1 2.057 0.03 . 2 . . . . 100 PRO HB1 . 6726 1 809 . 1 1 74 74 PRO HB3 H 1 2.138 0.03 . 2 . . . . 100 PRO HB2 . 6726 1 810 . 1 1 74 74 PRO HG2 H 1 1.416 0.03 . 2 . . . . 100 PRO HG1 . 6726 1 811 . 1 1 74 74 PRO HG3 H 1 1.300 0.03 . 2 . . . . 100 PRO HG2 . 6726 1 812 . 1 1 74 74 PRO HD2 H 1 3.040 0.03 . 2 . . . . 100 PRO HD1 . 6726 1 813 . 1 1 74 74 PRO HD3 H 1 3.460 0.03 . 2 . . . . 100 PRO HD2 . 6726 1 814 . 1 1 74 74 PRO CA C 13 64.374 0.3 . 1 . . . . 100 PRO CA . 6726 1 815 . 1 1 74 74 PRO CB C 13 30.032 0.3 . 1 . . . . 100 PRO CB . 6726 1 816 . 1 1 74 74 PRO CG C 13 23.400 0.3 . 1 . . . . 100 PRO CG . 6726 1 817 . 1 1 74 74 PRO CD C 13 47.299 0.3 . 1 . . . . 100 PRO CD . 6726 1 818 . 1 1 75 75 ASP H H 1 8.413 0.03 . 1 . . . . 101 ASP HN . 6726 1 819 . 1 1 75 75 ASP HA H 1 5.000 0.03 . 1 . . . . 101 ASP HA . 6726 1 820 . 1 1 75 75 ASP HB2 H 1 2.580 0.03 . 2 . . . . 101 ASP HB1 . 6726 1 821 . 1 1 75 75 ASP HB3 H 1 2.866 0.03 . 2 . . . . 101 ASP HB2 . 6726 1 822 . 1 1 75 75 ASP C C 13 176.676 0.3 . 1 . . . . 101 ASP C . 6726 1 823 . 1 1 75 75 ASP CA C 13 58.134 0.3 . 1 . . . . 101 ASP CA . 6726 1 824 . 1 1 75 75 ASP CB C 13 45.572 0.3 . 1 . . . . 101 ASP CB . 6726 1 825 . 1 1 75 75 ASP N N 15 119.103 0.3 . 1 . . . . 101 ASP N . 6726 1 826 . 1 1 76 76 THR H H 1 8.272 0.03 . 1 . . . . 102 THR HN . 6726 1 827 . 1 1 76 76 THR HA H 1 5.895 0.03 . 1 . . . . 102 THR HA . 6726 1 828 . 1 1 76 76 THR HB H 1 3.982 0.03 . 1 . . . . 102 THR HB . 6726 1 829 . 1 1 76 76 THR HG21 H 1 1.203 0.03 . 1 . . . . 102 THR HG21 . 6726 1 830 . 1 1 76 76 THR HG22 H 1 1.203 0.03 . 1 . . . . 102 THR HG21 . 6726 1 831 . 1 1 76 76 THR HG23 H 1 1.203 0.03 . 1 . . . . 102 THR HG21 . 6726 1 832 . 1 1 76 76 THR C C 13 172.853 0.3 . 1 . . . . 102 THR C . 6726 1 833 . 1 1 76 76 THR CA C 13 61.947 0.3 . 1 . . . . 102 THR CA . 6726 1 834 . 1 1 76 76 THR CB C 13 73.986 0.3 . 1 . . . . 102 THR CB . 6726 1 835 . 1 1 76 76 THR CG2 C 13 22.627 0.3 . 1 . . . . 102 THR CG2 . 6726 1 836 . 1 1 76 76 THR N N 15 110.976 0.3 . 1 . . . . 102 THR N . 6726 1 837 . 1 1 77 77 LEU H H 1 9.086 0.03 . 1 . . . . 103 LEU HN . 6726 1 838 . 1 1 77 77 LEU HA H 1 5.156 0.03 . 1 . . . . 103 LEU HA . 6726 1 839 . 1 1 77 77 LEU HB2 H 1 1.550 0.03 . 2 . . . . 103 LEU HB1 . 6726 1 840 . 1 1 77 77 LEU HB3 H 1 1.580 0.03 . 2 . . . . 103 LEU HB2 . 6726 1 841 . 1 1 77 77 LEU HG H 1 0.902 0.03 . 1 . . . . 103 LEU HG . 6726 1 842 . 1 1 77 77 LEU HD11 H 1 0.865 0.03 . 2 . . . . 103 LEU HD11 . 6726 1 843 . 1 1 77 77 LEU HD12 H 1 0.865 0.03 . 2 . . . . 103 LEU HD11 . 6726 1 844 . 1 1 77 77 LEU HD13 H 1 0.865 0.03 . 2 . . . . 103 LEU HD11 . 6726 1 845 . 1 1 77 77 LEU HD21 H 1 1.570 0.03 . 2 . . . . 103 LEU HD21 . 6726 1 846 . 1 1 77 77 LEU HD22 H 1 1.570 0.03 . 2 . . . . 103 LEU HD21 . 6726 1 847 . 1 1 77 77 LEU HD23 H 1 1.570 0.03 . 2 . . . . 103 LEU HD21 . 6726 1 848 . 1 1 77 77 LEU C C 13 174.670 0.3 . 1 . . . . 103 LEU C . 6726 1 849 . 1 1 77 77 LEU CA C 13 53.719 0.3 . 1 . . . . 103 LEU CA . 6726 1 850 . 1 1 77 77 LEU CB C 13 47.385 0.3 . 1 . . . . 103 LEU CB . 6726 1 851 . 1 1 77 77 LEU CG C 13 27.656 0.3 . 1 . . . . 103 LEU CG . 6726 1 852 . 1 1 77 77 LEU CD1 C 13 26.160 0.3 . 1 . . . . 103 LEU CD1 . 6726 1 853 . 1 1 77 77 LEU CD2 C 13 27.000 0.3 . 1 . . . . 103 LEU CD2 . 6726 1 854 . 1 1 77 77 LEU N N 15 125.818 0.3 . 1 . . . . 103 LEU N . 6726 1 855 . 1 1 78 78 VAL H H 1 8.536 0.03 . 1 . . . . 104 VAL HN . 6726 1 856 . 1 1 78 78 VAL HA H 1 4.883 0.03 . 1 . . . . 104 VAL HA . 6726 1 857 . 1 1 78 78 VAL HB H 1 1.731 0.03 . 1 . . . . 104 VAL HB . 6726 1 858 . 1 1 78 78 VAL HG11 H 1 0.713 0.03 . 2 . . . . 104 VAL HG11 . 6726 1 859 . 1 1 78 78 VAL HG12 H 1 0.713 0.03 . 2 . . . . 104 VAL HG11 . 6726 1 860 . 1 1 78 78 VAL HG13 H 1 0.713 0.03 . 2 . . . . 104 VAL HG11 . 6726 1 861 . 1 1 78 78 VAL HG21 H 1 0.940 0.03 . 2 . . . . 104 VAL HG21 . 6726 1 862 . 1 1 78 78 VAL HG22 H 1 0.940 0.03 . 2 . . . . 104 VAL HG21 . 6726 1 863 . 1 1 78 78 VAL HG23 H 1 0.940 0.03 . 2 . . . . 104 VAL HG21 . 6726 1 864 . 1 1 78 78 VAL C C 13 175.127 0.3 . 1 . . . . 104 VAL C . 6726 1 865 . 1 1 78 78 VAL CA C 13 61.746 0.3 . 1 . . . . 104 VAL CA . 6726 1 866 . 1 1 78 78 VAL CB C 13 33.869 0.3 . 1 . . . . 104 VAL CB . 6726 1 867 . 1 1 78 78 VAL CG1 C 13 20.966 0.3 . 1 . . . . 104 VAL CG1 . 6726 1 868 . 1 1 78 78 VAL CG2 C 13 20.966 0.3 . 1 . . . . 104 VAL CG2 . 6726 1 869 . 1 1 78 78 VAL N N 15 122.966 0.3 . 1 . . . . 104 VAL N . 6726 1 870 . 1 1 79 79 ILE H H 1 8.715 0.03 . 1 . . . . 105 ILE HN . 6726 1 871 . 1 1 79 79 ILE HA H 1 4.496 0.03 . 1 . . . . 105 ILE HA . 6726 1 872 . 1 1 79 79 ILE HB H 1 -0.003 0.03 . 1 . . . . 105 ILE HB . 6726 1 873 . 1 1 79 79 ILE HG12 H 1 0.353 0.03 . 1 . . . . 105 ILE HG11 . 6726 1 874 . 1 1 79 79 ILE HG13 H 1 0.848 0.03 . 1 . . . . 105 ILE HG12 . 6726 1 875 . 1 1 79 79 ILE HG21 H 1 -0.120 0.03 . 1 . . . . 105 ILE HG21 . 6726 1 876 . 1 1 79 79 ILE HG22 H 1 -0.120 0.03 . 1 . . . . 105 ILE HG21 . 6726 1 877 . 1 1 79 79 ILE HG23 H 1 -0.120 0.03 . 1 . . . . 105 ILE HG21 . 6726 1 878 . 1 1 79 79 ILE HD11 H 1 0.177 0.03 . 1 . . . . 105 ILE HD11 . 6726 1 879 . 1 1 79 79 ILE HD12 H 1 0.177 0.03 . 1 . . . . 105 ILE HD11 . 6726 1 880 . 1 1 79 79 ILE HD13 H 1 0.177 0.03 . 1 . . . . 105 ILE HD11 . 6726 1 881 . 1 1 79 79 ILE C C 13 174.889 0.3 . 1 . . . . 105 ILE C . 6726 1 882 . 1 1 79 79 ILE CA C 13 58.828 0.3 . 1 . . . . 105 ILE CA . 6726 1 883 . 1 1 79 79 ILE CB C 13 39.790 0.3 . 1 . . . . 105 ILE CB . 6726 1 884 . 1 1 79 79 ILE CG1 C 13 27.413 0.3 . 1 . . . . 105 ILE CG1 . 6726 1 885 . 1 1 79 79 ILE CG2 C 13 11.540 0.3 . 1 . . . . 105 ILE CG2 . 6726 1 886 . 1 1 79 79 ILE CD1 C 13 16.350 0.3 . 1 . . . . 105 ILE CD1 . 6726 1 887 . 1 1 79 79 ILE N N 15 128.070 0.3 . 1 . . . . 105 ILE N . 6726 1 888 . 1 1 80 80 GLY H H 1 9.941 0.03 . 1 . . . . 106 GLY HN . 6726 1 889 . 1 1 80 80 GLY HA2 H 1 3.365 0.03 . 2 . . . . 106 GLY HA1 . 6726 1 890 . 1 1 80 80 GLY HA3 H 1 4.876 0.03 . 2 . . . . 106 GLY HA2 . 6726 1 891 . 1 1 80 80 GLY C C 13 172.006 0.3 . 1 . . . . 106 GLY C . 6726 1 892 . 1 1 80 80 GLY CA C 13 44.472 0.3 . 1 . . . . 106 GLY CA . 6726 1 893 . 1 1 80 80 GLY N N 15 112.510 0.3 . 1 . . . . 106 GLY N . 6726 1 894 . 1 1 81 81 TRP H H 1 8.963 0.03 . 1 . . . . 107 TRP HN . 6726 1 895 . 1 1 81 81 TRP HA H 1 5.685 0.03 . 1 . . . . 107 TRP HA . 6726 1 896 . 1 1 81 81 TRP HB2 H 1 4.106 0.03 . 2 . . . . 107 TRP HB1 . 6726 1 897 . 1 1 81 81 TRP HB3 H 1 3.130 0.03 . 2 . . . . 107 TRP HB2 . 6726 1 898 . 1 1 81 81 TRP HE1 H 1 8.988 0.03 . 1 . . . . 107 TRP HE1 . 6726 1 899 . 1 1 81 81 TRP C C 13 176.373 0.3 . 1 . . . . 107 TRP C . 6726 1 900 . 1 1 81 81 TRP CA C 13 55.967 0.3 . 1 . . . . 107 TRP CA . 6726 1 901 . 1 1 81 81 TRP CB C 13 33.022 0.3 . 1 . . . . 107 TRP CB . 6726 1 902 . 1 1 81 81 TRP N N 15 129.022 0.3 . 1 . . . . 107 TRP N . 6726 1 903 . 1 1 82 82 ARG H H 1 8.162 0.03 . 1 . . . . 108 ARG HN . 6726 1 904 . 1 1 82 82 ARG HA H 1 4.624 0.03 . 1 . . . . 108 ARG HA . 6726 1 905 . 1 1 82 82 ARG HB2 H 1 1.344 0.03 . 2 . . . . 108 ARG HB1 . 6726 1 906 . 1 1 82 82 ARG HB3 H 1 2.775 0.03 . 2 . . . . 108 ARG HB2 . 6726 1 907 . 1 1 82 82 ARG HG2 H 1 1.656 0.03 . 2 . . . . 108 ARG HG1 . 6726 1 908 . 1 1 82 82 ARG HG3 H 1 1.733 0.03 . 2 . . . . 108 ARG HG2 . 6726 1 909 . 1 1 82 82 ARG HD2 H 1 3.012 0.03 . 2 . . . . 108 ARG HD2 . 6726 1 910 . 1 1 82 82 ARG C C 13 174.378 0.3 . 1 . . . . 108 ARG C . 6726 1 911 . 1 1 82 82 ARG CA C 13 57.215 0.3 . 1 . . . . 108 ARG CA . 6726 1 912 . 1 1 82 82 ARG CB C 13 33.000 0.3 . 1 . . . . 108 ARG CB . 6726 1 913 . 1 1 82 82 ARG CG C 13 26.671 0.3 . 1 . . . . 108 ARG CG . 6726 1 914 . 1 1 82 82 ARG CD C 13 43.369 0.3 . 1 . . . . 108 ARG CD . 6726 1 915 . 1 1 82 82 ARG N N 15 123.548 0.3 . 1 . . . . 108 ARG N . 6726 1 916 . 1 1 83 83 LEU H H 1 5.747 0.03 . 1 . . . . 109 LEU HN . 6726 1 917 . 1 1 83 83 LEU HA H 1 4.450 0.03 . 1 . . . . 109 LEU HA . 6726 1 918 . 1 1 83 83 LEU HB2 H 1 1.528 0.03 . 2 . . . . 109 LEU HB1 . 6726 1 919 . 1 1 83 83 LEU HB3 H 1 1.256 0.03 . 2 . . . . 109 LEU HB2 . 6726 1 920 . 1 1 83 83 LEU HG H 1 0.768 0.03 . 1 . . . . 109 LEU HG . 6726 1 921 . 1 1 83 83 LEU HD11 H 1 0.411 0.03 . 2 . . . . 109 LEU HD11 . 6726 1 922 . 1 1 83 83 LEU HD12 H 1 0.411 0.03 . 2 . . . . 109 LEU HD11 . 6726 1 923 . 1 1 83 83 LEU HD13 H 1 0.411 0.03 . 2 . . . . 109 LEU HD11 . 6726 1 924 . 1 1 83 83 LEU HD21 H 1 0.280 0.03 . 2 . . . . 109 LEU HD21 . 6726 1 925 . 1 1 83 83 LEU HD22 H 1 0.280 0.03 . 2 . . . . 109 LEU HD21 . 6726 1 926 . 1 1 83 83 LEU HD23 H 1 0.280 0.03 . 2 . . . . 109 LEU HD21 . 6726 1 927 . 1 1 83 83 LEU C C 13 176.527 0.3 . 1 . . . . 109 LEU C . 6726 1 928 . 1 1 83 83 LEU CA C 13 55.030 0.3 . 1 . . . . 109 LEU CA . 6726 1 929 . 1 1 83 83 LEU CB C 13 42.239 0.3 . 1 . . . . 109 LEU CB . 6726 1 930 . 1 1 83 83 LEU CG C 13 27.260 0.3 . 1 . . . . 109 LEU CG . 6726 1 931 . 1 1 83 83 LEU CD1 C 13 25.400 0.3 . 1 . . . . 109 LEU CD1 . 6726 1 932 . 1 1 83 83 LEU CD2 C 13 24.220 0.3 . 1 . . . . 109 LEU CD2 . 6726 1 933 . 1 1 83 83 LEU N N 15 114.860 0.3 . 1 . . . . 109 LEU N . 6726 1 934 . 1 1 84 84 ASN H H 1 8.936 0.03 . 1 . . . . 110 ASN HN . 6726 1 935 . 1 1 84 84 ASN HA H 1 4.496 0.03 . 1 . . . . 110 ASN HA . 6726 1 936 . 1 1 84 84 ASN HB2 H 1 2.500 0.03 . 2 . . . . 110 ASN HB1 . 6726 1 937 . 1 1 84 84 ASN HB3 H 1 2.612 0.03 . 2 . . . . 110 ASN HB2 . 6726 1 938 . 1 1 84 84 ASN HD21 H 1 6.901 0.03 . 2 . . . . 110 ASN HD21 . 6726 1 939 . 1 1 84 84 ASN HD22 H 1 7.569 0.03 . 2 . . . . 110 ASN HD22 . 6726 1 940 . 1 1 84 84 ASN CA C 13 50.480 0.3 . 1 . . . . 110 ASN CA . 6726 1 941 . 1 1 84 84 ASN CB C 13 38.079 0.3 . 1 . . . . 110 ASN CB . 6726 1 942 . 1 1 84 84 ASN N N 15 119.829 0.3 . 1 . . . . 110 ASN N . 6726 1 943 . 1 1 84 84 ASN ND2 N 15 112.810 0.3 . 1 . . . . 110 ASN ND2 . 6726 1 944 . 1 1 85 85 GLY HA2 H 1 3.589 0.03 . 2 . . . . 111 GLY HA1 . 6726 1 945 . 1 1 85 85 GLY HA3 H 1 3.745 0.03 . 2 . . . . 111 GLY HA2 . 6726 1 946 . 1 1 85 85 GLY C C 13 173.603 0.3 . 1 . . . . 111 GLY C . 6726 1 947 . 1 1 85 85 GLY CA C 13 46.549 0.3 . 1 . . . . 111 GLY CA . 6726 1 948 . 1 1 86 86 PHE H H 1 7.919 0.03 . 1 . . . . 112 PHE HN . 6726 1 949 . 1 1 86 86 PHE HA H 1 4.937 0.03 . 1 . . . . 112 PHE HA . 6726 1 950 . 1 1 86 86 PHE HB2 H 1 2.800 0.03 . 2 . . . . 112 PHE HB1 . 6726 1 951 . 1 1 86 86 PHE HB3 H 1 3.570 0.03 . 2 . . . . 112 PHE HB2 . 6726 1 952 . 1 1 86 86 PHE C C 13 175.957 0.3 . 1 . . . . 112 PHE C . 6726 1 953 . 1 1 86 86 PHE CA C 13 55.990 0.3 . 1 . . . . 112 PHE CA . 6726 1 954 . 1 1 86 86 PHE CB C 13 39.327 0.3 . 1 . . . . 112 PHE CB . 6726 1 955 . 1 1 86 86 PHE N N 15 117.464 0.3 . 1 . . . . 112 PHE N . 6726 1 956 . 1 1 87 87 GLY H H 1 7.980 0.03 . 1 . . . . 113 GLY HN . 6726 1 957 . 1 1 87 87 GLY HA2 H 1 3.530 0.03 . 2 . . . . 113 GLY HA1 . 6726 1 958 . 1 1 87 87 GLY HA3 H 1 4.011 0.03 . 2 . . . . 113 GLY HA2 . 6726 1 959 . 1 1 87 87 GLY C C 13 173.357 0.3 . 1 . . . . 113 GLY C . 6726 1 960 . 1 1 87 87 GLY CA C 13 46.185 0.3 . 1 . . . . 113 GLY CA . 6726 1 961 . 1 1 87 87 GLY N N 15 107.432 0.3 . 1 . . . . 113 GLY N . 6726 1 962 . 1 1 88 88 ARG H H 1 7.299 0.03 . 1 . . . . 114 ARG HN . 6726 1 963 . 1 1 88 88 ARG HA H 1 4.552 0.03 . 1 . . . . 114 ARG HA . 6726 1 964 . 1 1 88 88 ARG HB2 H 1 1.665 0.03 . 2 . . . . 114 ARG HB1 . 6726 1 965 . 1 1 88 88 ARG HB3 H 1 1.885 0.03 . 2 . . . . 114 ARG HB2 . 6726 1 966 . 1 1 88 88 ARG HG2 H 1 1.538 0.03 . 2 . . . . 114 ARG HG1 . 6726 1 967 . 1 1 88 88 ARG HG3 H 1 1.574 0.03 . 2 . . . . 114 ARG HG2 . 6726 1 968 . 1 1 88 88 ARG HD2 H 1 3.153 0.03 . 2 . . . . 114 ARG HD1 . 6726 1 969 . 1 1 88 88 ARG HD3 H 1 3.185 0.03 . 2 . . . . 114 ARG HD2 . 6726 1 970 . 1 1 88 88 ARG C C 13 175.154 0.3 . 1 . . . . 114 ARG C . 6726 1 971 . 1 1 88 88 ARG CA C 13 53.043 0.3 . 1 . . . . 114 ARG CA . 6726 1 972 . 1 1 88 88 ARG CB C 13 32.343 0.3 . 1 . . . . 114 ARG CB . 6726 1 973 . 1 1 88 88 ARG CG C 13 27.155 0.3 . 1 . . . . 114 ARG CG . 6726 1 974 . 1 1 88 88 ARG CD C 13 42.896 0.3 . 1 . . . . 114 ARG CD . 6726 1 975 . 1 1 88 88 ARG N N 15 116.666 0.3 . 1 . . . . 114 ARG N . 6726 1 976 . 1 1 89 89 ILE H H 1 8.693 0.03 . 1 . . . . 115 ILE HN . 6726 1 977 . 1 1 89 89 ILE HA H 1 3.597 0.03 . 1 . . . . 115 ILE HA . 6726 1 978 . 1 1 89 89 ILE HB H 1 1.711 0.03 . 1 . . . . 115 ILE HB . 6726 1 979 . 1 1 89 89 ILE HG12 H 1 0.648 0.03 . 1 . . . . 115 ILE HG11 . 6726 1 980 . 1 1 89 89 ILE HG13 H 1 1.662 0.03 . 1 . . . . 115 ILE HG12 . 6726 1 981 . 1 1 89 89 ILE HG21 H 1 0.930 0.03 . 1 . . . . 115 ILE HG21 . 6726 1 982 . 1 1 89 89 ILE HG22 H 1 0.930 0.03 . 1 . . . . 115 ILE HG21 . 6726 1 983 . 1 1 89 89 ILE HG23 H 1 0.930 0.03 . 1 . . . . 115 ILE HG21 . 6726 1 984 . 1 1 89 89 ILE HD11 H 1 0.750 0.03 . 1 . . . . 115 ILE HD11 . 6726 1 985 . 1 1 89 89 ILE HD12 H 1 0.750 0.03 . 1 . . . . 115 ILE HD11 . 6726 1 986 . 1 1 89 89 ILE HD13 H 1 0.750 0.03 . 1 . . . . 115 ILE HD11 . 6726 1 987 . 1 1 89 89 ILE C C 13 175.865 0.3 . 1 . . . . 115 ILE C . 6726 1 988 . 1 1 89 89 ILE CA C 13 62.918 0.3 . 1 . . . . 115 ILE CA . 6726 1 989 . 1 1 89 89 ILE CB C 13 38.659 0.3 . 1 . . . . 115 ILE CB . 6726 1 990 . 1 1 89 89 ILE CG1 C 13 30.280 0.3 . 1 . . . . 115 ILE CG1 . 6726 1 991 . 1 1 89 89 ILE CG2 C 13 14.400 0.3 . 1 . . . . 115 ILE CG2 . 6726 1 992 . 1 1 89 89 ILE CD1 C 13 17.100 0.3 . 1 . . . . 115 ILE CD1 . 6726 1 993 . 1 1 89 89 ILE N N 15 121.077 0.3 . 1 . . . . 115 ILE N . 6726 1 994 . 1 1 90 90 ASP H H 1 9.010 0.03 . 1 . . . . 116 ASP HN . 6726 1 995 . 1 1 90 90 ASP HA H 1 4.893 0.03 . 1 . . . . 116 ASP HA . 6726 1 996 . 1 1 90 90 ASP HB2 H 1 2.226 0.03 . 2 . . . . 116 ASP HB1 . 6726 1 997 . 1 1 90 90 ASP HB3 H 1 3.322 0.03 . 2 . . . . 116 ASP HB2 . 6726 1 998 . 1 1 90 90 ASP CA C 13 51.599 0.3 . 1 . . . . 116 ASP CA . 6726 1 999 . 1 1 90 90 ASP CB C 13 44.629 0.3 . 1 . . . . 116 ASP CB . 6726 1 1000 . 1 1 90 90 ASP N N 15 133.887 0.3 . 1 . . . . 116 ASP N . 6726 1 1001 . 1 1 91 91 PRO HA H 1 4.631 0.03 . 1 . . . . 117 PRO HA . 6726 1 1002 . 1 1 91 91 PRO HB2 H 1 1.991 0.03 . 2 . . . . 117 PRO HB1 . 6726 1 1003 . 1 1 91 91 PRO HB3 H 1 1.978 0.03 . 2 . . . . 117 PRO HB2 . 6726 1 1004 . 1 1 91 91 PRO HG2 H 1 2.266 0.03 . 2 . . . . 117 PRO HG2 . 6726 1 1005 . 1 1 91 91 PRO HD2 H 1 4.231 0.03 . 2 . . . . 117 PRO HD1 . 6726 1 1006 . 1 1 91 91 PRO HD3 H 1 3.823 0.03 . 2 . . . . 117 PRO HD2 . 6726 1 1007 . 1 1 91 91 PRO C C 13 176.812 0.3 . 1 . . . . 117 PRO C . 6726 1 1008 . 1 1 91 91 PRO CA C 13 64.451 0.3 . 1 . . . . 117 PRO CA . 6726 1 1009 . 1 1 91 91 PRO CB C 13 32.423 0.3 . 1 . . . . 117 PRO CB . 6726 1 1010 . 1 1 91 91 PRO CG C 13 27.054 0.3 . 1 . . . . 117 PRO CG . 6726 1 1011 . 1 1 91 91 PRO CD C 13 50.576 0.3 . 1 . . . . 117 PRO CD . 6726 1 1012 . 1 1 92 92 ASP H H 1 8.335 0.03 . 1 . . . . 118 ASP HN . 6726 1 1013 . 1 1 92 92 ASP HA H 1 4.900 0.03 . 1 . . . . 118 ASP HA . 6726 1 1014 . 1 1 92 92 ASP HB2 H 1 2.478 0.03 . 2 . . . . 118 ASP HB1 . 6726 1 1015 . 1 1 92 92 ASP HB3 H 1 2.665 0.03 . 2 . . . . 118 ASP HB2 . 6726 1 1016 . 1 1 92 92 ASP C C 13 175.855 0.3 . 1 . . . . 118 ASP C . 6726 1 1017 . 1 1 92 92 ASP CA C 13 55.952 0.3 . 1 . . . . 118 ASP CA . 6726 1 1018 . 1 1 92 92 ASP CB C 13 45.167 0.3 . 1 . . . . 118 ASP CB . 6726 1 1019 . 1 1 92 92 ASP N N 15 114.886 0.3 . 1 . . . . 118 ASP N . 6726 1 1020 . 1 1 93 93 ASN H H 1 8.302 0.03 . 1 . . . . 119 ASN HN . 6726 1 1021 . 1 1 93 93 ASN HA H 1 5.140 0.03 . 1 . . . . 119 ASN HA . 6726 1 1022 . 1 1 93 93 ASN HB2 H 1 2.555 0.03 . 2 . . . . 119 ASN HB1 . 6726 1 1023 . 1 1 93 93 ASN HB3 H 1 2.819 0.03 . 2 . . . . 119 ASN HB2 . 6726 1 1024 . 1 1 93 93 ASN HD21 H 1 7.586 0.03 . 2 . . . . 119 ASN HD21 . 6726 1 1025 . 1 1 93 93 ASN HD22 H 1 6.896 0.03 . 2 . . . . 119 ASN HD22 . 6726 1 1026 . 1 1 93 93 ASN C C 13 173.857 0.3 . 1 . . . . 119 ASN C . 6726 1 1027 . 1 1 93 93 ASN CA C 13 53.004 0.3 . 1 . . . . 119 ASN CA . 6726 1 1028 . 1 1 93 93 ASN CB C 13 43.207 0.3 . 1 . . . . 119 ASN CB . 6726 1 1029 . 1 1 93 93 ASN N N 15 119.425 0.3 . 1 . . . . 119 ASN N . 6726 1 1030 . 1 1 93 93 ASN ND2 N 15 112.296 0.3 . 1 . . . . 119 ASN ND2 . 6726 1 1031 . 1 1 94 94 SER H H 1 8.014 0.03 . 1 . . . . 120 SER HN . 6726 1 1032 . 1 1 94 94 SER HA H 1 5.147 0.03 . 1 . . . . 120 SER HA . 6726 1 1033 . 1 1 94 94 SER HB2 H 1 3.821 0.03 . 2 . . . . 120 SER HB1 . 6726 1 1034 . 1 1 94 94 SER HB3 H 1 3.754 0.03 . 2 . . . . 120 SER HB2 . 6726 1 1035 . 1 1 94 94 SER C C 13 174.941 0.3 . 1 . . . . 120 SER C . 6726 1 1036 . 1 1 94 94 SER CA C 13 58.171 0.3 . 1 . . . . 120 SER CA . 6726 1 1037 . 1 1 94 94 SER CB C 13 65.356 0.3 . 1 . . . . 120 SER CB . 6726 1 1038 . 1 1 94 94 SER N N 15 110.754 0.3 . 1 . . . . 120 SER N . 6726 1 1039 . 1 1 95 95 SER H H 1 8.837 0.03 . 1 . . . . 121 SER HN . 6726 1 1040 . 1 1 95 95 SER HA H 1 4.990 0.03 . 1 . . . . 121 SER HA . 6726 1 1041 . 1 1 95 95 SER HB2 H 1 4.293 0.03 . 2 . . . . 121 SER HB1 . 6726 1 1042 . 1 1 95 95 SER HB3 H 1 3.873 0.03 . 2 . . . . 121 SER HB2 . 6726 1 1043 . 1 1 95 95 SER C C 13 174.454 0.3 . 1 . . . . 121 SER C . 6726 1 1044 . 1 1 95 95 SER CA C 13 57.862 0.3 . 1 . . . . 121 SER CA . 6726 1 1045 . 1 1 95 95 SER CB C 13 65.481 0.3 . 1 . . . . 121 SER CB . 6726 1 1046 . 1 1 95 95 SER N N 15 116.630 0.3 . 1 . . . . 121 SER N . 6726 1 1047 . 1 1 96 96 GLU H H 1 8.549 0.03 . 1 . . . . 122 GLU HN . 6726 1 1048 . 1 1 96 96 GLU HA H 1 5.431 0.03 . 1 . . . . 122 GLU HA . 6726 1 1049 . 1 1 96 96 GLU HB2 H 1 1.908 0.03 . 2 . . . . 122 GLU HB1 . 6726 1 1050 . 1 1 96 96 GLU HB3 H 1 1.889 0.03 . 2 . . . . 122 GLU HB2 . 6726 1 1051 . 1 1 96 96 GLU HG2 H 1 1.908 0.03 . 2 . . . . 122 GLU HG2 . 6726 1 1052 . 1 1 96 96 GLU C C 13 173.332 0.3 . 1 . . . . 122 GLU C . 6726 1 1053 . 1 1 96 96 GLU CA C 13 57.313 0.3 . 1 . . . . 122 GLU CA . 6726 1 1054 . 1 1 96 96 GLU CB C 13 35.949 0.3 . 1 . . . . 122 GLU CB . 6726 1 1055 . 1 1 96 96 GLU CG C 13 38.560 0.3 . 1 . . . . 122 GLU CG . 6726 1 1056 . 1 1 96 96 GLU N N 15 119.509 0.3 . 1 . . . . 122 GLU N . 6726 1 1057 . 1 1 97 97 PHE H H 1 9.059 0.03 . 1 . . . . 123 PHE HN . 6726 1 1058 . 1 1 97 97 PHE HA H 1 5.960 0.03 . 1 . . . . 123 PHE HA . 6726 1 1059 . 1 1 97 97 PHE HB2 H 1 2.180 0.03 . 2 . . . . 123 PHE HB1 . 6726 1 1060 . 1 1 97 97 PHE HB3 H 1 2.585 0.03 . 2 . . . . 123 PHE HB2 . 6726 1 1061 . 1 1 97 97 PHE C C 13 171.874 0.3 . 1 . . . . 123 PHE C . 6726 1 1062 . 1 1 97 97 PHE CA C 13 54.059 0.3 . 1 . . . . 123 PHE CA . 6726 1 1063 . 1 1 97 97 PHE CB C 13 42.638 0.3 . 1 . . . . 123 PHE CB . 6726 1 1064 . 1 1 97 97 PHE N N 15 122.635 0.3 . 1 . . . . 123 PHE N . 6726 1 1065 . 1 1 98 98 THR H H 1 8.873 0.03 . 1 . . . . 124 THR HN . 6726 1 1066 . 1 1 98 98 THR HA H 1 5.164 0.03 . 1 . . . . 124 THR HA . 6726 1 1067 . 1 1 98 98 THR HB H 1 3.995 0.03 . 1 . . . . 124 THR HB . 6726 1 1068 . 1 1 98 98 THR HG21 H 1 1.157 0.03 . 1 . . . . 124 THR HG21 . 6726 1 1069 . 1 1 98 98 THR HG22 H 1 1.157 0.03 . 1 . . . . 124 THR HG21 . 6726 1 1070 . 1 1 98 98 THR HG23 H 1 1.157 0.03 . 1 . . . . 124 THR HG21 . 6726 1 1071 . 1 1 98 98 THR C C 13 173.884 0.3 . 1 . . . . 124 THR C . 6726 1 1072 . 1 1 98 98 THR CA C 13 61.154 0.3 . 1 . . . . 124 THR CA . 6726 1 1073 . 1 1 98 98 THR CB C 13 71.229 0.3 . 1 . . . . 124 THR CB . 6726 1 1074 . 1 1 98 98 THR CG2 C 13 21.000 0.3 . 1 . . . . 124 THR CG2 . 6726 1 1075 . 1 1 98 98 THR N N 15 116.776 0.3 . 1 . . . . 124 THR N . 6726 1 1076 . 1 1 99 99 VAL H H 1 9.677 0.03 . 1 . . . . 125 VAL HN . 6726 1 1077 . 1 1 99 99 VAL HA H 1 4.784 0.03 . 1 . . . . 125 VAL HA . 6726 1 1078 . 1 1 99 99 VAL HB H 1 1.704 0.03 . 1 . . . . 125 VAL HB . 6726 1 1079 . 1 1 99 99 VAL HG11 H 1 -0.380 0.03 . 2 . . . . 125 VAL HG11 . 6726 1 1080 . 1 1 99 99 VAL HG12 H 1 -0.380 0.03 . 2 . . . . 125 VAL HG11 . 6726 1 1081 . 1 1 99 99 VAL HG13 H 1 -0.380 0.03 . 2 . . . . 125 VAL HG11 . 6726 1 1082 . 1 1 99 99 VAL HG21 H 1 0.800 0.03 . 2 . . . . 125 VAL HG21 . 6726 1 1083 . 1 1 99 99 VAL HG22 H 1 0.800 0.03 . 2 . . . . 125 VAL HG21 . 6726 1 1084 . 1 1 99 99 VAL HG23 H 1 0.800 0.03 . 2 . . . . 125 VAL HG21 . 6726 1 1085 . 1 1 99 99 VAL C C 13 174.536 0.3 . 1 . . . . 125 VAL C . 6726 1 1086 . 1 1 99 99 VAL CA C 13 60.546 0.3 . 1 . . . . 125 VAL CA . 6726 1 1087 . 1 1 99 99 VAL CB C 13 32.878 0.3 . 1 . . . . 125 VAL CB . 6726 1 1088 . 1 1 99 99 VAL CG1 C 13 23.300 0.3 . 1 . . . . 125 VAL CG1 . 6726 1 1089 . 1 1 99 99 VAL CG2 C 13 21.400 0.3 . 1 . . . . 125 VAL CG2 . 6726 1 1090 . 1 1 99 99 VAL N N 15 129.863 0.3 . 1 . . . . 125 VAL N . 6726 1 1091 . 1 1 100 100 THR H H 1 8.899 0.03 . 1 . . . . 126 THR HN . 6726 1 1092 . 1 1 100 100 THR HA H 1 5.289 0.03 . 1 . . . . 126 THR HA . 6726 1 1093 . 1 1 100 100 THR HB H 1 3.933 0.03 . 1 . . . . 126 THR HB . 6726 1 1094 . 1 1 100 100 THR HG21 H 1 1.230 0.03 . 1 . . . . 126 THR HG21 . 6726 1 1095 . 1 1 100 100 THR HG22 H 1 1.230 0.03 . 1 . . . . 126 THR HG21 . 6726 1 1096 . 1 1 100 100 THR HG23 H 1 1.230 0.03 . 1 . . . . 126 THR HG21 . 6726 1 1097 . 1 1 100 100 THR C C 13 172.635 0.3 . 1 . . . . 126 THR C . 6726 1 1098 . 1 1 100 100 THR CA C 13 61.109 0.3 . 1 . . . . 126 THR CA . 6726 1 1099 . 1 1 100 100 THR CB C 13 70.841 0.3 . 1 . . . . 126 THR CB . 6726 1 1100 . 1 1 100 100 THR CG2 C 13 21.900 0.3 . 1 . . . . 126 THR CG2 . 6726 1 1101 . 1 1 100 100 THR N N 15 122.500 0.3 . 1 . . . . 126 THR N . 6726 1 1102 . 1 1 101 101 PHE H H 1 8.774 0.03 . 1 . . . . 127 PHE HN . 6726 1 1103 . 1 1 101 101 PHE HA H 1 5.000 0.03 . 1 . . . . 127 PHE HA . 6726 1 1104 . 1 1 101 101 PHE HB2 H 1 2.537 0.03 . 2 . . . . 127 PHE HB1 . 6726 1 1105 . 1 1 101 101 PHE HB3 H 1 3.962 0.03 . 2 . . . . 127 PHE HB2 . 6726 1 1106 . 1 1 101 101 PHE C C 13 175.700 0.3 . 1 . . . . 127 PHE C . 6726 1 1107 . 1 1 101 101 PHE CA C 13 56.769 0.3 . 1 . . . . 127 PHE CA . 6726 1 1108 . 1 1 101 101 PHE CB C 13 39.919 0.3 . 1 . . . . 127 PHE CB . 6726 1 1109 . 1 1 101 101 PHE N N 15 123.862 0.3 . 1 . . . . 127 PHE N . 6726 1 1110 . 1 1 102 102 VAL H H 1 9.635 0.03 . 1 . . . . 128 VAL HN . 6726 1 1111 . 1 1 102 102 VAL HA H 1 4.354 0.03 . 1 . . . . 128 VAL HA . 6726 1 1112 . 1 1 102 102 VAL HB H 1 1.995 0.03 . 1 . . . . 128 VAL HB . 6726 1 1113 . 1 1 102 102 VAL HG11 H 1 0.900 0.03 . 2 . . . . 128 VAL HG11 . 6726 1 1114 . 1 1 102 102 VAL HG12 H 1 0.900 0.03 . 2 . . . . 128 VAL HG11 . 6726 1 1115 . 1 1 102 102 VAL HG13 H 1 0.900 0.03 . 2 . . . . 128 VAL HG11 . 6726 1 1116 . 1 1 102 102 VAL HG21 H 1 0.930 0.03 . 2 . . . . 128 VAL HG21 . 6726 1 1117 . 1 1 102 102 VAL HG22 H 1 0.930 0.03 . 2 . . . . 128 VAL HG21 . 6726 1 1118 . 1 1 102 102 VAL HG23 H 1 0.930 0.03 . 2 . . . . 128 VAL HG21 . 6726 1 1119 . 1 1 102 102 VAL C C 13 175.267 0.3 . 1 . . . . 128 VAL C . 6726 1 1120 . 1 1 102 102 VAL CA C 13 61.555 0.3 . 1 . . . . 128 VAL CA . 6726 1 1121 . 1 1 102 102 VAL CB C 13 35.096 0.3 . 1 . . . . 128 VAL CB . 6726 1 1122 . 1 1 102 102 VAL CG1 C 13 21.500 0.3 . 1 . . . . 128 VAL CG1 . 6726 1 1123 . 1 1 102 102 VAL CG2 C 13 20.831 0.3 . 1 . . . . 128 VAL CG2 . 6726 1 1124 . 1 1 102 102 VAL N N 15 126.768 0.3 . 1 . . . . 128 VAL N . 6726 1 1125 . 1 1 103 103 ALA H H 1 9.136 0.03 . 1 . . . . 129 ALA HN . 6726 1 1126 . 1 1 103 103 ALA HA H 1 4.544 0.03 . 1 . . . . 129 ALA HA . 6726 1 1127 . 1 1 103 103 ALA HB1 H 1 1.540 0.03 . 1 . . . . 129 ALA HB1 . 6726 1 1128 . 1 1 103 103 ALA HB2 H 1 1.540 0.03 . 1 . . . . 129 ALA HB1 . 6726 1 1129 . 1 1 103 103 ALA HB3 H 1 1.540 0.03 . 1 . . . . 129 ALA HB1 . 6726 1 1130 . 1 1 103 103 ALA C C 13 176.924 0.3 . 1 . . . . 129 ALA C . 6726 1 1131 . 1 1 103 103 ALA CA C 13 53.772 0.3 . 1 . . . . 129 ALA CA . 6726 1 1132 . 1 1 103 103 ALA CB C 13 19.025 0.3 . 1 . . . . 129 ALA CB . 6726 1 1133 . 1 1 103 103 ALA N N 15 131.004 0.3 . 1 . . . . 129 ALA N . 6726 1 1134 . 1 1 104 104 ASP H H 1 8.325 0.03 . 1 . . . . 130 ASP HN . 6726 1 1135 . 1 1 104 104 ASP HA H 1 4.918 0.03 . 1 . . . . 130 ASP HA . 6726 1 1136 . 1 1 104 104 ASP HB2 H 1 2.510 0.03 . 2 . . . . 130 ASP HB1 . 6726 1 1137 . 1 1 104 104 ASP HB3 H 1 2.260 0.03 . 2 . . . . 130 ASP HB2 . 6726 1 1138 . 1 1 104 104 ASP C C 13 175.319 0.3 . 1 . . . . 130 ASP C . 6726 1 1139 . 1 1 104 104 ASP CA C 13 53.074 0.3 . 1 . . . . 130 ASP CA . 6726 1 1140 . 1 1 104 104 ASP CB C 13 41.625 0.3 . 1 . . . . 130 ASP CB . 6726 1 1141 . 1 1 104 104 ASP N N 15 126.280 0.3 . 1 . . . . 130 ASP N . 6726 1 1142 . 1 1 105 105 GLY H H 1 7.886 0.03 . 1 . . . . 131 GLY HN . 6726 1 1143 . 1 1 105 105 GLY HA2 H 1 3.845 0.03 . 2 . . . . 131 GLY HA1 . 6726 1 1144 . 1 1 105 105 GLY HA3 H 1 4.300 0.03 . 2 . . . . 131 GLY HA2 . 6726 1 1145 . 1 1 105 105 GLY CA C 13 44.588 0.3 . 1 . . . . 131 GLY CA . 6726 1 1146 . 1 1 105 105 GLY N N 15 107.416 0.3 . 1 . . . . 131 GLY N . 6726 1 1147 . 1 1 106 106 GLN H H 1 8.652 0.03 . 1 . . . . 132 GLN HN . 6726 1 1148 . 1 1 106 106 GLN HA H 1 4.143 0.03 . 1 . . . . 132 GLN HA . 6726 1 1149 . 1 1 106 106 GLN HB2 H 1 1.626 0.03 . 2 . . . . 132 GLN HB1 . 6726 1 1150 . 1 1 106 106 GLN HB3 H 1 2.004 0.03 . 2 . . . . 132 GLN HB2 . 6726 1 1151 . 1 1 106 106 GLN C C 13 175.400 0.3 . 1 . . . . 132 GLN C . 6726 1 1152 . 1 1 106 106 GLN CA C 13 54.818 0.3 . 1 . . . . 132 GLN CA . 6726 1 1153 . 1 1 106 106 GLN CB C 13 33.250 0.3 . 1 . . . . 132 GLN CB . 6726 1 1154 . 1 1 106 106 GLN N N 15 117.459 0.3 . 1 . . . . 132 GLN N . 6726 1 1155 . 1 1 107 107 LYS H H 1 9.272 0.03 . 1 . . . . 133 LYS HN . 6726 1 1156 . 1 1 107 107 LYS HA H 1 4.100 0.03 . 1 . . . . 133 LYS HA . 6726 1 1157 . 1 1 107 107 LYS HB2 H 1 1.990 0.03 . 2 . . . . 133 LYS HB1 . 6726 1 1158 . 1 1 107 107 LYS HB3 H 1 1.620 0.03 . 2 . . . . 133 LYS HB2 . 6726 1 1159 . 1 1 107 107 LYS HG2 H 1 1.390 0.03 . 2 . . . . 133 LYS HG1 . 6726 1 1160 . 1 1 107 107 LYS HG3 H 1 1.345 0.03 . 2 . . . . 133 LYS HG2 . 6726 1 1161 . 1 1 107 107 LYS HD2 H 1 1.645 0.03 . 2 . . . . 133 LYS HD2 . 6726 1 1162 . 1 1 107 107 LYS HE2 H 1 3.017 0.03 . 2 . . . . 133 LYS HE1 . 6726 1 1163 . 1 1 107 107 LYS HE3 H 1 2.981 0.03 . 2 . . . . 133 LYS HE2 . 6726 1 1164 . 1 1 107 107 LYS C C 13 174.499 0.3 . 1 . . . . 133 LYS C . 6726 1 1165 . 1 1 107 107 LYS CA C 13 55.300 0.3 . 1 . . . . 133 LYS CA . 6726 1 1166 . 1 1 107 107 LYS CB C 13 33.243 0.3 . 1 . . . . 133 LYS CB . 6726 1 1167 . 1 1 107 107 LYS CG C 13 25.702 0.3 . 1 . . . . 133 LYS CG . 6726 1 1168 . 1 1 107 107 LYS CD C 13 29.306 0.3 . 1 . . . . 133 LYS CD . 6726 1 1169 . 1 1 107 107 LYS CE C 13 42.372 0.3 . 1 . . . . 133 LYS CE . 6726 1 1170 . 1 1 107 107 LYS N N 15 125.663 0.3 . 1 . . . . 133 LYS N . 6726 1 1171 . 1 1 108 108 LYS H H 1 6.839 0.03 . 1 . . . . 134 LYS HN . 6726 1 1172 . 1 1 108 108 LYS HA H 1 5.130 0.03 . 1 . . . . 134 LYS HA . 6726 1 1173 . 1 1 108 108 LYS HB2 H 1 1.855 0.03 . 2 . . . . 134 LYS HB1 . 6726 1 1174 . 1 1 108 108 LYS HB3 H 1 1.591 0.03 . 2 . . . . 134 LYS HB2 . 6726 1 1175 . 1 1 108 108 LYS HG2 H 1 1.261 0.03 . 2 . . . . 134 LYS HG1 . 6726 1 1176 . 1 1 108 108 LYS HG3 H 1 1.360 0.03 . 2 . . . . 134 LYS HG2 . 6726 1 1177 . 1 1 108 108 LYS HD2 H 1 1.686 0.03 . 1 . . . . 134 LYS HD1 . 6726 1 1178 . 1 1 108 108 LYS HD3 H 1 1.686 0.03 . 1 . . . . 134 LYS HD2 . 6726 1 1179 . 1 1 108 108 LYS HE2 H 1 2.920 0.03 . 2 . . . . 134 LYS HE1 . 6726 1 1180 . 1 1 108 108 LYS HE3 H 1 2.887 0.03 . 2 . . . . 134 LYS HE2 . 6726 1 1181 . 1 1 108 108 LYS C C 13 175.850 0.3 . 1 . . . . 134 LYS C . 6726 1 1182 . 1 1 108 108 LYS CA C 13 55.967 0.3 . 1 . . . . 134 LYS CA . 6726 1 1183 . 1 1 108 108 LYS CB C 13 36.271 0.3 . 1 . . . . 134 LYS CB . 6726 1 1184 . 1 1 108 108 LYS CG C 13 25.522 0.3 . 1 . . . . 134 LYS CG . 6726 1 1185 . 1 1 108 108 LYS CD C 13 29.529 0.3 . 1 . . . . 134 LYS CD . 6726 1 1186 . 1 1 108 108 LYS CE C 13 41.915 0.3 . 1 . . . . 134 LYS CE . 6726 1 1187 . 1 1 108 108 LYS N N 15 116.760 0.3 . 1 . . . . 134 LYS N . 6726 1 1188 . 1 1 109 109 THR H H 1 8.999 0.03 . 1 . . . . 135 THR HN . 6726 1 1189 . 1 1 109 109 THR HA H 1 4.886 0.03 . 1 . . . . 135 THR HA . 6726 1 1190 . 1 1 109 109 THR HB H 1 3.677 0.03 . 1 . . . . 135 THR HB . 6726 1 1191 . 1 1 109 109 THR HG21 H 1 1.250 0.03 . 1 . . . . 135 THR HG21 . 6726 1 1192 . 1 1 109 109 THR HG22 H 1 1.250 0.03 . 1 . . . . 135 THR HG21 . 6726 1 1193 . 1 1 109 109 THR HG23 H 1 1.250 0.03 . 1 . . . . 135 THR HG21 . 6726 1 1194 . 1 1 109 109 THR C C 13 172.305 0.3 . 1 . . . . 135 THR C . 6726 1 1195 . 1 1 109 109 THR CA C 13 62.737 0.3 . 1 . . . . 135 THR CA . 6726 1 1196 . 1 1 109 109 THR CB C 13 72.777 0.3 . 1 . . . . 135 THR CB . 6726 1 1197 . 1 1 109 109 THR CG2 C 13 22.572 0.3 . 1 . . . . 135 THR CG2 . 6726 1 1198 . 1 1 109 109 THR N N 15 120.476 0.3 . 1 . . . . 135 THR N . 6726 1 1199 . 1 1 110 110 ARG H H 1 9.838 0.03 . 1 . . . . 136 ARG HN . 6726 1 1200 . 1 1 110 110 ARG HA H 1 4.870 0.03 . 1 . . . . 136 ARG HA . 6726 1 1201 . 1 1 110 110 ARG HB2 H 1 1.820 0.03 . 2 . . . . 136 ARG HB1 . 6726 1 1202 . 1 1 110 110 ARG HB3 H 1 1.610 0.03 . 2 . . . . 136 ARG HB2 . 6726 1 1203 . 1 1 110 110 ARG HG2 H 1 1.521 0.03 . 2 . . . . 136 ARG HG1 . 6726 1 1204 . 1 1 110 110 ARG HG3 H 1 1.343 0.03 . 2 . . . . 136 ARG HG2 . 6726 1 1205 . 1 1 110 110 ARG HD2 H 1 3.340 0.03 . 2 . . . . 136 ARG HD1 . 6726 1 1206 . 1 1 110 110 ARG HD3 H 1 3.041 0.03 . 2 . . . . 136 ARG HD2 . 6726 1 1207 . 1 1 110 110 ARG C C 13 175.492 0.3 . 1 . . . . 136 ARG C . 6726 1 1208 . 1 1 110 110 ARG CA C 13 55.658 0.3 . 1 . . . . 136 ARG CA . 6726 1 1209 . 1 1 110 110 ARG CB C 13 31.836 0.3 . 1 . . . . 136 ARG CB . 6726 1 1210 . 1 1 110 110 ARG CG C 13 28.437 0.3 . 1 . . . . 136 ARG CG . 6726 1 1211 . 1 1 110 110 ARG CD C 13 43.300 0.3 . 1 . . . . 136 ARG CD . 6726 1 1212 . 1 1 110 110 ARG N N 15 130.859 0.3 . 1 . . . . 136 ARG N . 6726 1 1213 . 1 1 111 111 VAL H H 1 9.383 0.03 . 1 . . . . 137 VAL HN . 6726 1 1214 . 1 1 111 111 VAL HA H 1 4.290 0.03 . 1 . . . . 137 VAL HA . 6726 1 1215 . 1 1 111 111 VAL HB H 1 2.005 0.03 . 1 . . . . 137 VAL HB . 6726 1 1216 . 1 1 111 111 VAL HG11 H 1 -0.037 0.03 . 2 . . . . 137 VAL HG11 . 6726 1 1217 . 1 1 111 111 VAL HG12 H 1 -0.037 0.03 . 2 . . . . 137 VAL HG11 . 6726 1 1218 . 1 1 111 111 VAL HG13 H 1 -0.037 0.03 . 2 . . . . 137 VAL HG11 . 6726 1 1219 . 1 1 111 111 VAL HG21 H 1 0.890 0.03 . 2 . . . . 137 VAL HG21 . 6726 1 1220 . 1 1 111 111 VAL HG22 H 1 0.890 0.03 . 2 . . . . 137 VAL HG21 . 6726 1 1221 . 1 1 111 111 VAL HG23 H 1 0.890 0.03 . 2 . . . . 137 VAL HG21 . 6726 1 1222 . 1 1 111 111 VAL C C 13 173.638 0.3 . 1 . . . . 137 VAL C . 6726 1 1223 . 1 1 111 111 VAL CA C 13 61.352 0.3 . 1 . . . . 137 VAL CA . 6726 1 1224 . 1 1 111 111 VAL CB C 13 32.401 0.3 . 1 . . . . 137 VAL CB . 6726 1 1225 . 1 1 111 111 VAL CG1 C 13 20.592 0.3 . 1 . . . . 137 VAL CG1 . 6726 1 1226 . 1 1 111 111 VAL CG2 C 13 21.467 0.3 . 1 . . . . 137 VAL CG2 . 6726 1 1227 . 1 1 111 111 VAL N N 15 129.711 0.3 . 1 . . . . 137 VAL N . 6726 1 1228 . 1 1 112 112 ASP H H 1 8.638 0.03 . 1 . . . . 138 ASP HN . 6726 1 1229 . 1 1 112 112 ASP HA H 1 5.060 0.03 . 1 . . . . 138 ASP HA . 6726 1 1230 . 1 1 112 112 ASP HB2 H 1 2.465 0.03 . 2 . . . . 138 ASP HB1 . 6726 1 1231 . 1 1 112 112 ASP HB3 H 1 2.533 0.03 . 2 . . . . 138 ASP HB2 . 6726 1 1232 . 1 1 112 112 ASP C C 13 174.995 0.3 . 1 . . . . 138 ASP C . 6726 1 1233 . 1 1 112 112 ASP CA C 13 52.720 0.3 . 1 . . . . 138 ASP CA . 6726 1 1234 . 1 1 112 112 ASP CB C 13 42.577 0.3 . 1 . . . . 138 ASP CB . 6726 1 1235 . 1 1 112 112 ASP N N 15 125.481 0.3 . 1 . . . . 138 ASP N . 6726 1 1236 . 1 1 113 113 VAL H H 1 8.893 0.03 . 1 . . . . 139 VAL HN . 6726 1 1237 . 1 1 113 113 VAL HA H 1 4.540 0.03 . 1 . . . . 139 VAL HA . 6726 1 1238 . 1 1 113 113 VAL HB H 1 1.220 0.03 . 1 . . . . 139 VAL HB . 6726 1 1239 . 1 1 113 113 VAL HG11 H 1 -0.550 0.03 . 2 . . . . 139 VAL HG11 . 6726 1 1240 . 1 1 113 113 VAL HG12 H 1 -0.550 0.03 . 2 . . . . 139 VAL HG11 . 6726 1 1241 . 1 1 113 113 VAL HG13 H 1 -0.550 0.03 . 2 . . . . 139 VAL HG11 . 6726 1 1242 . 1 1 113 113 VAL HG21 H 1 0.175 0.03 . 2 . . . . 139 VAL HG21 . 6726 1 1243 . 1 1 113 113 VAL HG22 H 1 0.175 0.03 . 2 . . . . 139 VAL HG21 . 6726 1 1244 . 1 1 113 113 VAL HG23 H 1 0.175 0.03 . 2 . . . . 139 VAL HG21 . 6726 1 1245 . 1 1 113 113 VAL C C 13 175.499 0.3 . 1 . . . . 139 VAL C . 6726 1 1246 . 1 1 113 113 VAL CA C 13 61.205 0.3 . 1 . . . . 139 VAL CA . 6726 1 1247 . 1 1 113 113 VAL CB C 13 33.683 0.3 . 1 . . . . 139 VAL CB . 6726 1 1248 . 1 1 113 113 VAL CG1 C 13 18.873 0.3 . 1 . . . . 139 VAL CG1 . 6726 1 1249 . 1 1 113 113 VAL CG2 C 13 21.934 0.3 . 1 . . . . 139 VAL CG2 . 6726 1 1250 . 1 1 113 113 VAL N N 15 121.806 0.3 . 1 . . . . 139 VAL N . 6726 1 1251 . 1 1 114 114 GLU H H 1 8.632 0.03 . 1 . . . . 140 GLU HN . 6726 1 1252 . 1 1 114 114 GLU HA H 1 5.195 0.03 . 1 . . . . 140 GLU HA . 6726 1 1253 . 1 1 114 114 GLU HB2 H 1 1.960 0.03 . 2 . . . . 140 GLU HB1 . 6726 1 1254 . 1 1 114 114 GLU HB3 H 1 2.146 0.03 . 2 . . . . 140 GLU HB2 . 6726 1 1255 . 1 1 114 114 GLU HG2 H 1 2.087 0.03 . 2 . . . . 140 GLU HG1 . 6726 1 1256 . 1 1 114 114 GLU HG3 H 1 2.140 0.03 . 2 . . . . 140 GLU HG2 . 6726 1 1257 . 1 1 114 114 GLU C C 13 173.598 0.3 . 1 . . . . 140 GLU C . 6726 1 1258 . 1 1 114 114 GLU CA C 13 55.290 0.3 . 1 . . . . 140 GLU CA . 6726 1 1259 . 1 1 114 114 GLU CB C 13 32.964 0.3 . 1 . . . . 140 GLU CB . 6726 1 1260 . 1 1 114 114 GLU CG C 13 38.860 0.3 . 1 . . . . 140 GLU CG . 6726 1 1261 . 1 1 114 114 GLU N N 15 127.987 0.3 . 1 . . . . 140 GLU N . 6726 1 1262 . 1 1 115 115 HIS H H 1 10.210 0.03 . 1 . . . . 141 HIS HN . 6726 1 1263 . 1 1 115 115 HIS HA H 1 5.431 0.03 . 1 . . . . 141 HIS HA . 6726 1 1264 . 1 1 115 115 HIS HB2 H 1 2.755 0.03 . 2 . . . . 141 HIS HB1 . 6726 1 1265 . 1 1 115 115 HIS HB3 H 1 3.634 0.03 . 2 . . . . 141 HIS HB2 . 6726 1 1266 . 1 1 115 115 HIS C C 13 173.889 0.3 . 1 . . . . 141 HIS C . 6726 1 1267 . 1 1 115 115 HIS CA C 13 53.797 0.3 . 1 . . . . 141 HIS CA . 6726 1 1268 . 1 1 115 115 HIS CB C 13 36.353 0.3 . 1 . . . . 141 HIS CB . 6726 1 1269 . 1 1 115 115 HIS N N 15 133.373 0.3 . 1 . . . . 141 HIS N . 6726 1 1270 . 1 1 116 116 THR H H 1 9.228 0.03 . 1 . . . . 142 THR HN . 6726 1 1271 . 1 1 116 116 THR HA H 1 4.400 0.03 . 1 . . . . 142 THR HA . 6726 1 1272 . 1 1 116 116 THR HB H 1 3.851 0.03 . 1 . . . . 142 THR HB . 6726 1 1273 . 1 1 116 116 THR HG21 H 1 0.679 0.03 . 1 . . . . 142 THR HG21 . 6726 1 1274 . 1 1 116 116 THR HG22 H 1 0.679 0.03 . 1 . . . . 142 THR HG21 . 6726 1 1275 . 1 1 116 116 THR HG23 H 1 0.679 0.03 . 1 . . . . 142 THR HG21 . 6726 1 1276 . 1 1 116 116 THR C C 13 171.750 0.3 . 1 . . . . 142 THR C . 6726 1 1277 . 1 1 116 116 THR CA C 13 59.754 0.3 . 1 . . . . 142 THR CA . 6726 1 1278 . 1 1 116 116 THR CB C 13 69.314 0.3 . 1 . . . . 142 THR CB . 6726 1 1279 . 1 1 116 116 THR CG2 C 13 15.480 0.3 . 1 . . . . 142 THR CG2 . 6726 1 1280 . 1 1 116 116 THR N N 15 121.235 0.3 . 1 . . . . 142 THR N . 6726 1 1281 . 1 1 117 117 HIS H H 1 8.390 0.03 . 1 . . . . 143 HIS HN . 6726 1 1282 . 1 1 117 117 HIS CA C 13 57.166 0.3 . 1 . . . . 143 HIS CA . 6726 1 1283 . 1 1 117 117 HIS CB C 13 27.089 0.3 . 1 . . . . 143 HIS CB . 6726 1 1284 . 1 1 117 117 HIS N N 15 114.257 0.3 . 1 . . . . 143 HIS N . 6726 1 1285 . 1 1 118 118 PHE H H 1 8.868 0.03 . 1 . . . . 144 PHE HN . 6726 1 1286 . 1 1 118 118 PHE HA H 1 4.067 0.03 . 1 . . . . 144 PHE HA . 6726 1 1287 . 1 1 118 118 PHE HB2 H 1 2.854 0.03 . 2 . . . . 144 PHE HB1 . 6726 1 1288 . 1 1 118 118 PHE HB3 H 1 3.325 0.03 . 2 . . . . 144 PHE HB2 . 6726 1 1289 . 1 1 118 118 PHE C C 13 177.176 0.3 . 1 . . . . 144 PHE C . 6726 1 1290 . 1 1 118 118 PHE CA C 13 62.075 0.3 . 1 . . . . 144 PHE CA . 6726 1 1291 . 1 1 118 118 PHE CB C 13 38.176 0.3 . 1 . . . . 144 PHE CB . 6726 1 1292 . 1 1 118 118 PHE N N 15 117.951 0.3 . 1 . . . . 144 PHE N . 6726 1 1293 . 1 1 119 119 ASP H H 1 8.949 0.03 . 1 . . . . 145 ASP HN . 6726 1 1294 . 1 1 119 119 ASP HA H 1 4.181 0.03 . 1 . . . . 145 ASP HA . 6726 1 1295 . 1 1 119 119 ASP HB2 H 1 2.715 0.03 . 2 . . . . 145 ASP HB1 . 6726 1 1296 . 1 1 119 119 ASP HB3 H 1 2.920 0.03 . 2 . . . . 145 ASP HB2 . 6726 1 1297 . 1 1 119 119 ASP C C 13 178.699 0.3 . 1 . . . . 145 ASP C . 6726 1 1298 . 1 1 119 119 ASP CA C 13 55.790 0.3 . 1 . . . . 145 ASP CA . 6726 1 1299 . 1 1 119 119 ASP CB C 13 39.320 0.3 . 1 . . . . 145 ASP CB . 6726 1 1300 . 1 1 119 119 ASP N N 15 114.111 0.3 . 1 . . . . 145 ASP N . 6726 1 1301 . 1 1 120 120 ARG H H 1 7.416 0.03 . 1 . . . . 146 ARG HN . 6726 1 1302 . 1 1 120 120 ARG HA H 1 4.140 0.03 . 1 . . . . 146 ARG HA . 6726 1 1303 . 1 1 120 120 ARG HB2 H 1 1.933 0.03 . 2 . . . . 146 ARG HB1 . 6726 1 1304 . 1 1 120 120 ARG HB3 H 1 1.730 0.03 . 2 . . . . 146 ARG HB2 . 6726 1 1305 . 1 1 120 120 ARG HG2 H 1 1.449 0.03 . 2 . . . . 146 ARG HG1 . 6726 1 1306 . 1 1 120 120 ARG HG3 H 1 1.540 0.03 . 2 . . . . 146 ARG HG2 . 6726 1 1307 . 1 1 120 120 ARG HD2 H 1 2.997 0.03 . 2 . . . . 146 ARG HD2 . 6726 1 1308 . 1 1 120 120 ARG C C 13 177.047 0.3 . 1 . . . . 146 ARG C . 6726 1 1309 . 1 1 120 120 ARG CA C 13 58.952 0.3 . 1 . . . . 146 ARG CA . 6726 1 1310 . 1 1 120 120 ARG CB C 13 29.682 0.3 . 1 . . . . 146 ARG CB . 6726 1 1311 . 1 1 120 120 ARG CG C 13 25.000 0.3 . 1 . . . . 146 ARG CG . 6726 1 1312 . 1 1 120 120 ARG CD C 13 42.170 0.3 . 1 . . . . 146 ARG CD . 6726 1 1313 . 1 1 120 120 ARG N N 15 121.083 0.3 . 1 . . . . 146 ARG N . 6726 1 1314 . 1 1 121 121 MET H H 1 7.814 0.03 . 1 . . . . 147 MET HN . 6726 1 1315 . 1 1 121 121 MET HA H 1 4.643 0.03 . 1 . . . . 147 MET HA . 6726 1 1316 . 1 1 121 121 MET HB2 H 1 2.148 0.03 . 2 . . . . 147 MET HB1 . 6726 1 1317 . 1 1 121 121 MET HB3 H 1 2.337 0.03 . 2 . . . . 147 MET HB2 . 6726 1 1318 . 1 1 121 121 MET C C 13 177.501 0.3 . 1 . . . . 147 MET C . 6726 1 1319 . 1 1 121 121 MET CA C 13 53.421 0.3 . 1 . . . . 147 MET CA . 6726 1 1320 . 1 1 121 121 MET CB C 13 29.351 0.3 . 1 . . . . 147 MET CB . 6726 1 1321 . 1 1 121 121 MET N N 15 111.011 0.3 . 1 . . . . 147 MET N . 6726 1 1322 . 1 1 122 122 GLY H H 1 7.503 0.03 . 1 . . . . 148 GLY HN . 6726 1 1323 . 1 1 122 122 GLY HA2 H 1 4.050 0.03 . 1 . . . . 148 GLY HA1 . 6726 1 1324 . 1 1 122 122 GLY HA3 H 1 4.050 0.03 . 1 . . . . 148 GLY HA2 . 6726 1 1325 . 1 1 122 122 GLY CA C 13 44.390 0.3 . 1 . . . . 148 GLY CA . 6726 1 1326 . 1 1 122 122 GLY N N 15 106.599 0.3 . 1 . . . . 148 GLY N . 6726 1 1327 . 1 1 124 124 LYS HA H 1 4.126 0.03 . 1 . . . . 150 LYS HA . 6726 1 1328 . 1 1 124 124 LYS HB2 H 1 1.521 0.03 . 2 . . . . 150 LYS HB1 . 6726 1 1329 . 1 1 124 124 LYS HB3 H 1 1.718 0.03 . 2 . . . . 150 LYS HB2 . 6726 1 1330 . 1 1 124 124 LYS HG2 H 1 1.144 0.03 . 2 . . . . 150 LYS HG1 . 6726 1 1331 . 1 1 124 124 LYS HG3 H 1 1.350 0.03 . 2 . . . . 150 LYS HG2 . 6726 1 1332 . 1 1 124 124 LYS HD2 H 1 1.718 0.03 . 2 . . . . 150 LYS HD1 . 6726 1 1333 . 1 1 124 124 LYS HD3 H 1 1.660 0.03 . 2 . . . . 150 LYS HD2 . 6726 1 1334 . 1 1 124 124 LYS HE2 H 1 2.992 0.03 . 2 . . . . 150 LYS HE1 . 6726 1 1335 . 1 1 124 124 LYS HE3 H 1 2.967 0.03 . 2 . . . . 150 LYS HE2 . 6726 1 1336 . 1 1 124 124 LYS C C 13 177.541 0.3 . 1 . . . . 150 LYS C . 6726 1 1337 . 1 1 124 124 LYS CA C 13 58.548 0.3 . 1 . . . . 150 LYS CA . 6726 1 1338 . 1 1 124 124 LYS CB C 13 32.532 0.3 . 1 . . . . 150 LYS CB . 6726 1 1339 . 1 1 124 124 LYS CG C 13 25.204 0.3 . 1 . . . . 150 LYS CG . 6726 1 1340 . 1 1 124 124 LYS CD C 13 29.006 0.3 . 1 . . . . 150 LYS CD . 6726 1 1341 . 1 1 124 124 LYS CE C 13 42.003 0.3 . 1 . . . . 150 LYS CE . 6726 1 1342 . 1 1 125 125 HIS H H 1 7.279 0.03 . 1 . . . . 151 HIS HN . 6726 1 1343 . 1 1 125 125 HIS HA H 1 4.510 0.03 . 1 . . . . 151 HIS HA . 6726 1 1344 . 1 1 125 125 HIS HB2 H 1 2.524 0.03 . 2 . . . . 151 HIS HB1 . 6726 1 1345 . 1 1 125 125 HIS HB3 H 1 2.892 0.03 . 2 . . . . 151 HIS HB2 . 6726 1 1346 . 1 1 125 125 HIS C C 13 176.016 0.3 . 1 . . . . 151 HIS C . 6726 1 1347 . 1 1 125 125 HIS CA C 13 57.840 0.3 . 1 . . . . 151 HIS CA . 6726 1 1348 . 1 1 125 125 HIS CB C 13 35.295 0.3 . 1 . . . . 151 HIS CB . 6726 1 1349 . 1 1 125 125 HIS N N 15 114.609 0.3 . 1 . . . . 151 HIS N . 6726 1 1350 . 1 1 126 126 ALA H H 1 8.254 0.03 . 1 . . . . 152 ALA HN . 6726 1 1351 . 1 1 126 126 ALA HA H 1 3.738 0.03 . 1 . . . . 152 ALA HA . 6726 1 1352 . 1 1 126 126 ALA HB1 H 1 1.327 0.03 . 1 . . . . 152 ALA HB1 . 6726 1 1353 . 1 1 126 126 ALA HB2 H 1 1.327 0.03 . 1 . . . . 152 ALA HB1 . 6726 1 1354 . 1 1 126 126 ALA HB3 H 1 1.327 0.03 . 1 . . . . 152 ALA HB1 . 6726 1 1355 . 1 1 126 126 ALA C C 13 177.514 0.3 . 1 . . . . 152 ALA C . 6726 1 1356 . 1 1 126 126 ALA CA C 13 57.694 0.3 . 1 . . . . 152 ALA CA . 6726 1 1357 . 1 1 126 126 ALA CB C 13 20.130 0.3 . 1 . . . . 152 ALA CB . 6726 1 1358 . 1 1 126 126 ALA N N 15 122.063 0.3 . 1 . . . . 152 ALA N . 6726 1 1359 . 1 1 127 127 LYS H H 1 8.155 0.03 . 1 . . . . 153 LYS HN . 6726 1 1360 . 1 1 127 127 LYS HA H 1 4.190 0.03 . 1 . . . . 153 LYS HA . 6726 1 1361 . 1 1 127 127 LYS HB2 H 1 1.604 0.03 . 2 . . . . 153 LYS HB1 . 6726 1 1362 . 1 1 127 127 LYS HB3 H 1 1.636 0.03 . 2 . . . . 153 LYS HB2 . 6726 1 1363 . 1 1 127 127 LYS HD2 H 1 1.750 0.03 . 2 . . . . 153 LYS HD2 . 6726 1 1364 . 1 1 127 127 LYS HE2 H 1 3.024 0.03 . 2 . . . . 153 LYS HE1 . 6726 1 1365 . 1 1 127 127 LYS HE3 H 1 2.916 0.03 . 2 . . . . 153 LYS HE2 . 6726 1 1366 . 1 1 127 127 LYS C C 13 177.536 0.3 . 1 . . . . 153 LYS C . 6726 1 1367 . 1 1 127 127 LYS CA C 13 59.610 0.3 . 1 . . . . 153 LYS CA . 6726 1 1368 . 1 1 127 127 LYS CB C 13 32.499 0.3 . 1 . . . . 153 LYS CB . 6726 1 1369 . 1 1 127 127 LYS CG C 13 25.155 0.3 . 1 . . . . 153 LYS CG . 6726 1 1370 . 1 1 127 127 LYS CD C 13 29.300 0.3 . 1 . . . . 153 LYS CD . 6726 1 1371 . 1 1 127 127 LYS CE C 13 41.950 0.3 . 1 . . . . 153 LYS CE . 6726 1 1372 . 1 1 127 127 LYS N N 15 116.152 0.3 . 1 . . . . 153 LYS N . 6726 1 1373 . 1 1 128 128 ARG H H 1 7.585 0.03 . 1 . . . . 154 ARG HN . 6726 1 1374 . 1 1 128 128 ARG HA H 1 4.006 0.03 . 1 . . . . 154 ARG HA . 6726 1 1375 . 1 1 128 128 ARG HB2 H 1 1.820 0.03 . 2 . . . . 154 ARG HB1 . 6726 1 1376 . 1 1 128 128 ARG HB3 H 1 1.767 0.03 . 2 . . . . 154 ARG HB2 . 6726 1 1377 . 1 1 128 128 ARG HG2 H 1 1.702 0.03 . 2 . . . . 154 ARG HG1 . 6726 1 1378 . 1 1 128 128 ARG HG3 H 1 1.580 0.03 . 2 . . . . 154 ARG HG2 . 6726 1 1379 . 1 1 128 128 ARG HD2 H 1 2.869 0.03 . 2 . . . . 154 ARG HD1 . 6726 1 1380 . 1 1 128 128 ARG HD3 H 1 3.044 0.03 . 2 . . . . 154 ARG HD2 . 6726 1 1381 . 1 1 128 128 ARG C C 13 180.637 0.3 . 1 . . . . 154 ARG C . 6726 1 1382 . 1 1 128 128 ARG CA C 13 59.297 0.3 . 1 . . . . 154 ARG CA . 6726 1 1383 . 1 1 128 128 ARG CB C 13 30.861 0.3 . 1 . . . . 154 ARG CB . 6726 1 1384 . 1 1 128 128 ARG CG C 13 28.300 0.3 . 1 . . . . 154 ARG CG . 6726 1 1385 . 1 1 128 128 ARG CD C 13 43.300 0.3 . 1 . . . . 154 ARG CD . 6726 1 1386 . 1 1 128 128 ARG N N 15 117.613 0.3 . 1 . . . . 154 ARG N . 6726 1 1387 . 1 1 129 129 VAL H H 1 8.461 0.03 . 1 . . . . 155 VAL HN . 6726 1 1388 . 1 1 129 129 VAL HA H 1 3.662 0.03 . 1 . . . . 155 VAL HA . 6726 1 1389 . 1 1 129 129 VAL HB H 1 2.060 0.03 . 1 . . . . 155 VAL HB . 6726 1 1390 . 1 1 129 129 VAL HG11 H 1 1.315 0.03 . 2 . . . . 155 VAL HG11 . 6726 1 1391 . 1 1 129 129 VAL HG12 H 1 1.315 0.03 . 2 . . . . 155 VAL HG11 . 6726 1 1392 . 1 1 129 129 VAL HG13 H 1 1.315 0.03 . 2 . . . . 155 VAL HG11 . 6726 1 1393 . 1 1 129 129 VAL HG21 H 1 1.130 0.03 . 2 . . . . 155 VAL HG21 . 6726 1 1394 . 1 1 129 129 VAL HG22 H 1 1.130 0.03 . 2 . . . . 155 VAL HG21 . 6726 1 1395 . 1 1 129 129 VAL HG23 H 1 1.130 0.03 . 2 . . . . 155 VAL HG21 . 6726 1 1396 . 1 1 129 129 VAL C C 13 176.856 0.3 . 1 . . . . 155 VAL C . 6726 1 1397 . 1 1 129 129 VAL CA C 13 66.150 0.3 . 1 . . . . 155 VAL CA . 6726 1 1398 . 1 1 129 129 VAL CB C 13 31.765 0.3 . 1 . . . . 155 VAL CB . 6726 1 1399 . 1 1 129 129 VAL CG1 C 13 21.400 0.3 . 1 . . . . 155 VAL CG1 . 6726 1 1400 . 1 1 129 129 VAL CG2 C 13 23.162 0.3 . 1 . . . . 155 VAL CG2 . 6726 1 1401 . 1 1 129 129 VAL N N 15 120.211 0.3 . 1 . . . . 155 VAL N . 6726 1 1402 . 1 1 130 130 ARG H H 1 7.880 0.03 . 1 . . . . 156 ARG HN . 6726 1 1403 . 1 1 130 130 ARG HA H 1 2.002 0.03 . 1 . . . . 156 ARG HA . 6726 1 1404 . 1 1 130 130 ARG HB2 H 1 0.964 0.03 . 2 . . . . 156 ARG HB1 . 6726 1 1405 . 1 1 130 130 ARG HG2 H 1 1.653 0.03 . 1 . . . . 156 ARG HG1 . 6726 1 1406 . 1 1 130 130 ARG HG3 H 1 1.653 0.03 . 1 . . . . 156 ARG HG2 . 6726 1 1407 . 1 1 130 130 ARG HD2 H 1 2.785 0.03 . 2 . . . . 156 ARG HD2 . 6726 1 1408 . 1 1 130 130 ARG C C 13 178.845 0.3 . 1 . . . . 156 ARG C . 6726 1 1409 . 1 1 130 130 ARG CA C 13 60.154 0.3 . 1 . . . . 156 ARG CA . 6726 1 1410 . 1 1 130 130 ARG CB C 13 28.386 0.3 . 1 . . . . 156 ARG CB . 6726 1 1411 . 1 1 130 130 ARG CG C 13 28.300 0.3 . 1 . . . . 156 ARG CG . 6726 1 1412 . 1 1 130 130 ARG CD C 13 44.300 0.3 . 1 . . . . 156 ARG CD . 6726 1 1413 . 1 1 130 130 ARG N N 15 121.806 0.3 . 1 . . . . 156 ARG N . 6726 1 1414 . 1 1 131 131 ASN H H 1 8.442 0.03 . 1 . . . . 157 ASN HN . 6726 1 1415 . 1 1 131 131 ASN HA H 1 4.453 0.03 . 1 . . . . 157 ASN HA . 6726 1 1416 . 1 1 131 131 ASN HB2 H 1 2.780 0.03 . 2 . . . . 157 ASN HB1 . 6726 1 1417 . 1 1 131 131 ASN HB3 H 1 2.787 0.03 . 2 . . . . 157 ASN HB2 . 6726 1 1418 . 1 1 131 131 ASN HD21 H 1 6.869 0.03 . 2 . . . . 157 ASN HD21 . 6726 1 1419 . 1 1 131 131 ASN HD22 H 1 8.433 0.03 . 2 . . . . 157 ASN HD22 . 6726 1 1420 . 1 1 131 131 ASN C C 13 178.630 0.3 . 1 . . . . 157 ASN C . 6726 1 1421 . 1 1 131 131 ASN CA C 13 55.511 0.3 . 1 . . . . 157 ASN CA . 6726 1 1422 . 1 1 131 131 ASN CB C 13 37.329 0.3 . 1 . . . . 157 ASN CB . 6726 1 1423 . 1 1 131 131 ASN N N 15 116.766 0.3 . 1 . . . . 157 ASN N . 6726 1 1424 . 1 1 131 131 ASN ND2 N 15 117.070 0.3 . 1 . . . . 157 ASN ND2 . 6726 1 1425 . 1 1 132 132 GLY H H 1 8.180 0.03 . 1 . . . . 158 GLY HN . 6726 1 1426 . 1 1 132 132 GLY HA2 H 1 3.860 0.03 . 1 . . . . 158 GLY HA1 . 6726 1 1427 . 1 1 132 132 GLY HA3 H 1 3.860 0.03 . 1 . . . . 158 GLY HA2 . 6726 1 1428 . 1 1 132 132 GLY C C 13 177.686 0.3 . 1 . . . . 158 GLY C . 6726 1 1429 . 1 1 132 132 GLY CA C 13 47.589 0.3 . 1 . . . . 158 GLY CA . 6726 1 1430 . 1 1 132 132 GLY N N 15 109.805 0.3 . 1 . . . . 158 GLY N . 6726 1 1431 . 1 1 133 133 MET H H 1 8.530 0.03 . 1 . . . . 159 MET HN . 6726 1 1432 . 1 1 133 133 MET HA H 1 4.760 0.03 . 1 . . . . 159 MET HA . 6726 1 1433 . 1 1 133 133 MET HB2 H 1 2.128 0.03 . 2 . . . . 159 MET HB1 . 6726 1 1434 . 1 1 133 133 MET HB3 H 1 2.000 0.03 . 2 . . . . 159 MET HB2 . 6726 1 1435 . 1 1 133 133 MET C C 13 178.543 0.3 . 1 . . . . 159 MET C . 6726 1 1436 . 1 1 133 133 MET CA C 13 55.230 0.3 . 1 . . . . 159 MET CA . 6726 1 1437 . 1 1 133 133 MET CB C 13 28.012 0.3 . 1 . . . . 159 MET CB . 6726 1 1438 . 1 1 133 133 MET N N 15 119.748 0.3 . 1 . . . . 159 MET N . 6726 1 1439 . 1 1 134 134 ASP H H 1 8.462 0.03 . 1 . . . . 160 ASP HN . 6726 1 1440 . 1 1 134 134 ASP HA H 1 4.883 0.03 . 1 . . . . 160 ASP HA . 6726 1 1441 . 1 1 134 134 ASP HB2 H 1 2.928 0.03 . 2 . . . . 160 ASP HB1 . 6726 1 1442 . 1 1 134 134 ASP HB3 H 1 2.976 0.03 . 2 . . . . 160 ASP HB2 . 6726 1 1443 . 1 1 134 134 ASP C C 13 177.888 0.3 . 1 . . . . 160 ASP C . 6726 1 1444 . 1 1 134 134 ASP CA C 13 57.625 0.3 . 1 . . . . 160 ASP CA . 6726 1 1445 . 1 1 134 134 ASP CB C 13 41.588 0.3 . 1 . . . . 160 ASP CB . 6726 1 1446 . 1 1 134 134 ASP N N 15 122.420 0.3 . 1 . . . . 160 ASP N . 6726 1 1447 . 1 1 135 135 LYS H H 1 7.298 0.03 . 1 . . . . 161 LYS HN . 6726 1 1448 . 1 1 135 135 LYS HA H 1 4.240 0.03 . 1 . . . . 161 LYS HA . 6726 1 1449 . 1 1 135 135 LYS HB2 H 1 1.558 0.03 . 2 . . . . 161 LYS HB1 . 6726 1 1450 . 1 1 135 135 LYS HB3 H 1 1.908 0.03 . 2 . . . . 161 LYS HB2 . 6726 1 1451 . 1 1 135 135 LYS HD2 H 1 1.634 0.03 . 2 . . . . 161 LYS HD2 . 6726 1 1452 . 1 1 135 135 LYS HE2 H 1 2.995 0.03 . 2 . . . . 161 LYS HE2 . 6726 1 1453 . 1 1 135 135 LYS C C 13 179.228 0.3 . 1 . . . . 161 LYS C . 6726 1 1454 . 1 1 135 135 LYS CA C 13 57.459 0.3 . 1 . . . . 161 LYS CA . 6726 1 1455 . 1 1 135 135 LYS CB C 13 32.780 0.3 . 1 . . . . 161 LYS CB . 6726 1 1456 . 1 1 135 135 LYS CG C 13 25.072 0.3 . 1 . . . . 161 LYS CG . 6726 1 1457 . 1 1 135 135 LYS CD C 13 28.728 0.3 . 1 . . . . 161 LYS CD . 6726 1 1458 . 1 1 135 135 LYS CE C 13 41.972 0.3 . 1 . . . . 161 LYS CE . 6726 1 1459 . 1 1 135 135 LYS N N 15 113.411 0.3 . 1 . . . . 161 LYS N . 6726 1 1460 . 1 1 136 136 GLY H H 1 8.299 0.03 . 1 . . . . 162 GLY HN . 6726 1 1461 . 1 1 136 136 GLY HA2 H 1 3.644 0.03 . 2 . . . . 162 GLY HA1 . 6726 1 1462 . 1 1 136 136 GLY HA3 H 1 4.132 0.03 . 2 . . . . 162 GLY HA2 . 6726 1 1463 . 1 1 136 136 GLY C C 13 175.175 0.3 . 1 . . . . 162 GLY C . 6726 1 1464 . 1 1 136 136 GLY CA C 13 46.748 0.3 . 1 . . . . 162 GLY CA . 6726 1 1465 . 1 1 136 136 GLY N N 15 106.881 0.3 . 1 . . . . 162 GLY N . 6726 1 1466 . 1 1 137 137 TRP H H 1 9.000 0.03 . 1 . . . . 163 TRP HN . 6726 1 1467 . 1 1 137 137 TRP HA H 1 4.591 0.03 . 1 . . . . 163 TRP HA . 6726 1 1468 . 1 1 137 137 TRP HB2 H 1 2.834 0.03 . 2 . . . . 163 TRP HB1 . 6726 1 1469 . 1 1 137 137 TRP HB3 H 1 3.250 0.03 . 2 . . . . 163 TRP HB2 . 6726 1 1470 . 1 1 137 137 TRP HE1 H 1 12.017 0.03 . 1 . . . . 163 TRP HE1 . 6726 1 1471 . 1 1 137 137 TRP CA C 13 62.861 0.3 . 1 . . . . 163 TRP CA . 6726 1 1472 . 1 1 137 137 TRP CB C 13 29.126 0.3 . 1 . . . . 163 TRP CB . 6726 1 1473 . 1 1 137 137 TRP N N 15 121.383 0.3 . 1 . . . . 163 TRP N . 6726 1 1474 . 1 1 137 137 TRP NE1 N 15 132.829 0.3 . 1 . . . . 163 TRP NE1 . 6726 1 1475 . 1 1 138 138 PRO HA H 1 4.159 0.03 . 1 . . . . 164 PRO HA . 6726 1 1476 . 1 1 138 138 PRO HB2 H 1 1.225 0.03 . 2 . . . . 164 PRO HB1 . 6726 1 1477 . 1 1 138 138 PRO HB3 H 1 1.822 0.03 . 2 . . . . 164 PRO HB2 . 6726 1 1478 . 1 1 138 138 PRO HG2 H 1 2.338 0.03 . 2 . . . . 164 PRO HG1 . 6726 1 1479 . 1 1 138 138 PRO HG3 H 1 2.343 0.03 . 2 . . . . 164 PRO HG2 . 6726 1 1480 . 1 1 138 138 PRO C C 13 179.198 0.3 . 1 . . . . 164 PRO C . 6726 1 1481 . 1 1 138 138 PRO CA C 13 66.670 0.3 . 1 . . . . 164 PRO CA . 6726 1 1482 . 1 1 138 138 PRO CB C 13 31.141 0.3 . 1 . . . . 164 PRO CB . 6726 1 1483 . 1 1 138 138 PRO CG C 13 28.108 0.3 . 1 . . . . 164 PRO CG . 6726 1 1484 . 1 1 139 139 THR H H 1 6.915 0.03 . 1 . . . . 165 THR HN . 6726 1 1485 . 1 1 139 139 THR HA H 1 4.030 0.03 . 1 . . . . 165 THR HA . 6726 1 1486 . 1 1 139 139 THR HB H 1 4.295 0.03 . 1 . . . . 165 THR HB . 6726 1 1487 . 1 1 139 139 THR HG21 H 1 1.139 0.03 . 1 . . . . 165 THR HG21 . 6726 1 1488 . 1 1 139 139 THR HG22 H 1 1.139 0.03 . 1 . . . . 165 THR HG21 . 6726 1 1489 . 1 1 139 139 THR HG23 H 1 1.139 0.03 . 1 . . . . 165 THR HG21 . 6726 1 1490 . 1 1 139 139 THR C C 13 176.656 0.3 . 1 . . . . 165 THR C . 6726 1 1491 . 1 1 139 139 THR CA C 13 66.136 0.3 . 1 . . . . 165 THR CA . 6726 1 1492 . 1 1 139 139 THR CB C 13 68.925 0.3 . 1 . . . . 165 THR CB . 6726 1 1493 . 1 1 139 139 THR CG2 C 13 21.959 0.3 . 1 . . . . 165 THR CG2 . 6726 1 1494 . 1 1 139 139 THR N N 15 114.809 0.3 . 1 . . . . 165 THR N . 6726 1 1495 . 1 1 140 140 ILE H H 1 8.050 0.03 . 1 . . . . 166 ILE HN . 6726 1 1496 . 1 1 140 140 ILE HA H 1 3.060 0.03 . 1 . . . . 166 ILE HA . 6726 1 1497 . 1 1 140 140 ILE HB H 1 1.787 0.03 . 1 . . . . 166 ILE HB . 6726 1 1498 . 1 1 140 140 ILE HG12 H 1 -0.656 0.03 . 1 . . . . 166 ILE HG11 . 6726 1 1499 . 1 1 140 140 ILE HG13 H 1 1.030 0.03 . 1 . . . . 166 ILE HG12 . 6726 1 1500 . 1 1 140 140 ILE HG21 H 1 0.686 0.03 . 1 . . . . 166 ILE HG21 . 6726 1 1501 . 1 1 140 140 ILE HG22 H 1 0.686 0.03 . 1 . . . . 166 ILE HG21 . 6726 1 1502 . 1 1 140 140 ILE HG23 H 1 0.686 0.03 . 1 . . . . 166 ILE HG21 . 6726 1 1503 . 1 1 140 140 ILE HD11 H 1 -0.440 0.03 . 1 . . . . 166 ILE HD11 . 6726 1 1504 . 1 1 140 140 ILE HD12 H 1 -0.440 0.03 . 1 . . . . 166 ILE HD11 . 6726 1 1505 . 1 1 140 140 ILE HD13 H 1 -0.440 0.03 . 1 . . . . 166 ILE HD11 . 6726 1 1506 . 1 1 140 140 ILE C C 13 177.885 0.3 . 1 . . . . 166 ILE C . 6726 1 1507 . 1 1 140 140 ILE CA C 13 66.335 0.3 . 1 . . . . 166 ILE CA . 6726 1 1508 . 1 1 140 140 ILE CB C 13 38.447 0.3 . 1 . . . . 166 ILE CB . 6726 1 1509 . 1 1 140 140 ILE CG1 C 13 28.800 0.3 . 1 . . . . 166 ILE CG1 . 6726 1 1510 . 1 1 140 140 ILE CG2 C 13 21.200 0.3 . 1 . . . . 166 ILE CG2 . 6726 1 1511 . 1 1 140 140 ILE CD1 C 13 12.511 0.3 . 1 . . . . 166 ILE CD1 . 6726 1 1512 . 1 1 140 140 ILE N N 15 124.941 0.3 . 1 . . . . 166 ILE N . 6726 1 1513 . 1 1 141 141 LEU H H 1 9.022 0.03 . 1 . . . . 167 LEU HN . 6726 1 1514 . 1 1 141 141 LEU HA H 1 4.188 0.03 . 1 . . . . 167 LEU HA . 6726 1 1515 . 1 1 141 141 LEU HB2 H 1 1.970 0.03 . 2 . . . . 167 LEU HB1 . 6726 1 1516 . 1 1 141 141 LEU HB3 H 1 1.498 0.03 . 2 . . . . 167 LEU HB2 . 6726 1 1517 . 1 1 141 141 LEU HG H 1 2.243 0.03 . 1 . . . . 167 LEU HG . 6726 1 1518 . 1 1 141 141 LEU HD11 H 1 0.752 0.03 . 2 . . . . 167 LEU HD11 . 6726 1 1519 . 1 1 141 141 LEU HD12 H 1 0.752 0.03 . 2 . . . . 167 LEU HD11 . 6726 1 1520 . 1 1 141 141 LEU HD13 H 1 0.752 0.03 . 2 . . . . 167 LEU HD11 . 6726 1 1521 . 1 1 141 141 LEU HD21 H 1 0.878 0.03 . 2 . . . . 167 LEU HD21 . 6726 1 1522 . 1 1 141 141 LEU HD22 H 1 0.878 0.03 . 2 . . . . 167 LEU HD21 . 6726 1 1523 . 1 1 141 141 LEU HD23 H 1 0.878 0.03 . 2 . . . . 167 LEU HD21 . 6726 1 1524 . 1 1 141 141 LEU C C 13 179.038 0.3 . 1 . . . . 167 LEU C . 6726 1 1525 . 1 1 141 141 LEU CA C 13 57.522 0.3 . 1 . . . . 167 LEU CA . 6726 1 1526 . 1 1 141 141 LEU CB C 13 40.703 0.3 . 1 . . . . 167 LEU CB . 6726 1 1527 . 1 1 141 141 LEU CG C 13 27.300 0.3 . 1 . . . . 167 LEU CG . 6726 1 1528 . 1 1 141 141 LEU CD1 C 13 25.170 0.3 . 1 . . . . 167 LEU CD1 . 6726 1 1529 . 1 1 141 141 LEU CD2 C 13 20.750 0.3 . 1 . . . . 167 LEU CD2 . 6726 1 1530 . 1 1 141 141 LEU N N 15 116.356 0.3 . 1 . . . . 167 LEU N . 6726 1 1531 . 1 1 142 142 GLN H H 1 8.071 0.03 . 1 . . . . 168 GLN HN . 6726 1 1532 . 1 1 142 142 GLN HA H 1 4.100 0.03 . 1 . . . . 168 GLN HA . 6726 1 1533 . 1 1 142 142 GLN HB2 H 1 2.229 0.03 . 2 . . . . 168 GLN HB1 . 6726 1 1534 . 1 1 142 142 GLN HB3 H 1 2.283 0.03 . 2 . . . . 168 GLN HB2 . 6726 1 1535 . 1 1 142 142 GLN HG2 H 1 2.335 0.03 . 2 . . . . 168 GLN HG1 . 6726 1 1536 . 1 1 142 142 GLN HG3 H 1 2.411 0.03 . 2 . . . . 168 GLN HG2 . 6726 1 1537 . 1 1 142 142 GLN HE21 H 1 7.820 0.03 . 2 . . . . 168 GLN HE21 . 6726 1 1538 . 1 1 142 142 GLN HE22 H 1 6.780 0.03 . 2 . . . . 168 GLN HE22 . 6726 1 1539 . 1 1 142 142 GLN C C 13 177.554 0.3 . 1 . . . . 168 GLN C . 6726 1 1540 . 1 1 142 142 GLN CA C 13 58.702 0.3 . 1 . . . . 168 GLN CA . 6726 1 1541 . 1 1 142 142 GLN CB C 13 28.636 0.3 . 1 . . . . 168 GLN CB . 6726 1 1542 . 1 1 142 142 GLN CG C 13 34.000 0.3 . 1 . . . . 168 GLN CG . 6726 1 1543 . 1 1 142 142 GLN N N 15 120.187 0.3 . 1 . . . . 168 GLN N . 6726 1 1544 . 1 1 142 142 GLN NE2 N 15 115.252 0.3 . 1 . . . . 168 GLN NE2 . 6726 1 1545 . 1 1 143 143 SER H H 1 7.666 0.03 . 1 . . . . 169 SER HN . 6726 1 1546 . 1 1 143 143 SER HA H 1 4.370 0.03 . 1 . . . . 169 SER HA . 6726 1 1547 . 1 1 143 143 SER HB2 H 1 4.560 0.03 . 2 . . . . 169 SER HB1 . 6726 1 1548 . 1 1 143 143 SER HB3 H 1 4.139 0.03 . 2 . . . . 169 SER HB2 . 6726 1 1549 . 1 1 143 143 SER C C 13 177.796 0.3 . 1 . . . . 169 SER C . 6726 1 1550 . 1 1 143 143 SER CA C 13 62.331 0.3 . 1 . . . . 169 SER CA . 6726 1 1551 . 1 1 143 143 SER CB C 13 63.217 0.3 . 1 . . . . 169 SER CB . 6726 1 1552 . 1 1 143 143 SER N N 15 115.343 0.3 . 1 . . . . 169 SER N . 6726 1 1553 . 1 1 144 144 PHE H H 1 7.775 0.03 . 1 . . . . 170 PHE HN . 6726 1 1554 . 1 1 144 144 PHE HA H 1 3.510 0.03 . 1 . . . . 170 PHE HA . 6726 1 1555 . 1 1 144 144 PHE HB2 H 1 1.980 0.03 . 2 . . . . 170 PHE HB1 . 6726 1 1556 . 1 1 144 144 PHE HB3 H 1 2.760 0.03 . 2 . . . . 170 PHE HB2 . 6726 1 1557 . 1 1 144 144 PHE C C 13 175.394 0.3 . 1 . . . . 170 PHE C . 6726 1 1558 . 1 1 144 144 PHE CA C 13 60.579 0.3 . 1 . . . . 170 PHE CA . 6726 1 1559 . 1 1 144 144 PHE CB C 13 38.061 0.3 . 1 . . . . 170 PHE CB . 6726 1 1560 . 1 1 144 144 PHE N N 15 122.116 0.3 . 1 . . . . 170 PHE N . 6726 1 1561 . 1 1 145 145 GLN H H 1 8.439 0.03 . 1 . . . . 171 GLN HN . 6726 1 1562 . 1 1 145 145 GLN HA H 1 3.367 0.03 . 1 . . . . 171 GLN HA . 6726 1 1563 . 1 1 145 145 GLN HB2 H 1 1.960 0.03 . 2 . . . . 171 GLN HB1 . 6726 1 1564 . 1 1 145 145 GLN HB3 H 1 2.370 0.03 . 2 . . . . 171 GLN HB2 . 6726 1 1565 . 1 1 145 145 GLN HG2 H 1 2.392 0.03 . 2 . . . . 171 GLN HG1 . 6726 1 1566 . 1 1 145 145 GLN HG3 H 1 2.317 0.03 . 2 . . . . 171 GLN HG2 . 6726 1 1567 . 1 1 145 145 GLN HE21 H 1 7.558 0.03 . 2 . . . . 171 GLN HE21 . 6726 1 1568 . 1 1 145 145 GLN HE22 H 1 6.903 0.03 . 2 . . . . 171 GLN HE22 . 6726 1 1569 . 1 1 145 145 GLN C C 13 177.799 0.3 . 1 . . . . 171 GLN C . 6726 1 1570 . 1 1 145 145 GLN CA C 13 59.726 0.3 . 1 . . . . 171 GLN CA . 6726 1 1571 . 1 1 145 145 GLN CB C 13 29.412 0.3 . 1 . . . . 171 GLN CB . 6726 1 1572 . 1 1 145 145 GLN CG C 13 33.933 0.3 . 1 . . . . 171 GLN CG . 6726 1 1573 . 1 1 145 145 GLN N N 15 119.709 0.3 . 1 . . . . 171 GLN N . 6726 1 1574 . 1 1 145 145 GLN NE2 N 15 112.939 0.3 . 1 . . . . 171 GLN NE2 . 6726 1 1575 . 1 1 146 146 ASP H H 1 8.661 0.03 . 1 . . . . 172 ASP HN . 6726 1 1576 . 1 1 146 146 ASP HA H 1 4.350 0.03 . 1 . . . . 172 ASP HA . 6726 1 1577 . 1 1 146 146 ASP HB2 H 1 2.719 0.03 . 2 . . . . 172 ASP HB1 . 6726 1 1578 . 1 1 146 146 ASP HB3 H 1 2.865 0.03 . 2 . . . . 172 ASP HB2 . 6726 1 1579 . 1 1 146 146 ASP C C 13 178.471 0.3 . 1 . . . . 172 ASP C . 6726 1 1580 . 1 1 146 146 ASP CA C 13 57.333 0.3 . 1 . . . . 172 ASP CA . 6726 1 1581 . 1 1 146 146 ASP CB C 13 40.418 0.3 . 1 . . . . 172 ASP CB . 6726 1 1582 . 1 1 146 146 ASP N N 15 118.891 0.3 . 1 . . . . 172 ASP N . 6726 1 1583 . 1 1 147 147 LYS H H 1 7.650 0.03 . 1 . . . . 173 LYS HN . 6726 1 1584 . 1 1 147 147 LYS HA H 1 4.239 0.03 . 1 . . . . 173 LYS HA . 6726 1 1585 . 1 1 147 147 LYS HB2 H 1 1.483 0.03 . 2 . . . . 173 LYS HB1 . 6726 1 1586 . 1 1 147 147 LYS HB3 H 1 1.990 0.03 . 2 . . . . 173 LYS HB2 . 6726 1 1587 . 1 1 147 147 LYS C C 13 178.456 0.3 . 1 . . . . 173 LYS C . 6726 1 1588 . 1 1 147 147 LYS CA C 13 57.496 0.3 . 1 . . . . 173 LYS CA . 6726 1 1589 . 1 1 147 147 LYS CB C 13 30.858 0.3 . 1 . . . . 173 LYS CB . 6726 1 1590 . 1 1 147 147 LYS CG C 13 24.532 0.3 . 1 . . . . 173 LYS CG . 6726 1 1591 . 1 1 147 147 LYS CD C 13 27.591 0.3 . 1 . . . . 173 LYS CD . 6726 1 1592 . 1 1 147 147 LYS CE C 13 42.049 0.3 . 1 . . . . 173 LYS CE . 6726 1 1593 . 1 1 147 147 LYS N N 15 120.927 0.3 . 1 . . . . 173 LYS N . 6726 1 1594 . 1 1 148 148 ILE H H 1 7.661 0.03 . 1 . . . . 174 ILE HN . 6726 1 1595 . 1 1 148 148 ILE HA H 1 3.629 0.03 . 1 . . . . 174 ILE HA . 6726 1 1596 . 1 1 148 148 ILE HB H 1 1.760 0.03 . 1 . . . . 174 ILE HB . 6726 1 1597 . 1 1 148 148 ILE HG12 H 1 0.570 0.03 . 1 . . . . 174 ILE HG11 . 6726 1 1598 . 1 1 148 148 ILE HG13 H 1 0.830 0.03 . 1 . . . . 174 ILE HG12 . 6726 1 1599 . 1 1 148 148 ILE HG21 H 1 0.671 0.03 . 1 . . . . 174 ILE HG21 . 6726 1 1600 . 1 1 148 148 ILE HG22 H 1 0.671 0.03 . 1 . . . . 174 ILE HG21 . 6726 1 1601 . 1 1 148 148 ILE HG23 H 1 0.671 0.03 . 1 . . . . 174 ILE HG21 . 6726 1 1602 . 1 1 148 148 ILE HD11 H 1 0.365 0.03 . 1 . . . . 174 ILE HD11 . 6726 1 1603 . 1 1 148 148 ILE HD12 H 1 0.365 0.03 . 1 . . . . 174 ILE HD11 . 6726 1 1604 . 1 1 148 148 ILE HD13 H 1 0.365 0.03 . 1 . . . . 174 ILE HD11 . 6726 1 1605 . 1 1 148 148 ILE C C 13 178.677 0.3 . 1 . . . . 174 ILE C . 6726 1 1606 . 1 1 148 148 ILE CA C 13 62.090 0.3 . 1 . . . . 174 ILE CA . 6726 1 1607 . 1 1 148 148 ILE CB C 13 35.709 0.3 . 1 . . . . 174 ILE CB . 6726 1 1608 . 1 1 148 148 ILE CG1 C 13 27.160 0.3 . 1 . . . . 174 ILE CG1 . 6726 1 1609 . 1 1 148 148 ILE CG2 C 13 18.700 0.3 . 1 . . . . 174 ILE CG2 . 6726 1 1610 . 1 1 148 148 ILE CD1 C 13 10.200 0.3 . 1 . . . . 174 ILE CD1 . 6726 1 1611 . 1 1 148 148 ILE N N 15 119.384 0.3 . 1 . . . . 174 ILE N . 6726 1 1612 . 1 1 149 149 ASP H H 1 8.155 0.03 . 1 . . . . 175 ASP HN . 6726 1 1613 . 1 1 149 149 ASP HA H 1 4.477 0.03 . 1 . . . . 175 ASP HA . 6726 1 1614 . 1 1 149 149 ASP HB2 H 1 2.710 0.03 . 2 . . . . 175 ASP HB1 . 6726 1 1615 . 1 1 149 149 ASP HB3 H 1 2.815 0.03 . 2 . . . . 175 ASP HB2 . 6726 1 1616 . 1 1 149 149 ASP C C 13 178.228 0.3 . 1 . . . . 175 ASP C . 6726 1 1617 . 1 1 149 149 ASP CA C 13 56.764 0.3 . 1 . . . . 175 ASP CA . 6726 1 1618 . 1 1 149 149 ASP CB C 13 40.649 0.3 . 1 . . . . 175 ASP CB . 6726 1 1619 . 1 1 149 149 ASP N N 15 120.964 0.3 . 1 . . . . 175 ASP N . 6726 1 1620 . 1 1 150 150 GLU H H 1 7.948 0.03 . 1 . . . . 176 GLU HN . 6726 1 1621 . 1 1 150 150 GLU HA H 1 4.122 0.03 . 1 . . . . 176 GLU HA . 6726 1 1622 . 1 1 150 150 GLU HB2 H 1 2.217 0.03 . 2 . . . . 176 GLU HB1 . 6726 1 1623 . 1 1 150 150 GLU HB3 H 1 2.207 0.03 . 2 . . . . 176 GLU HB2 . 6726 1 1624 . 1 1 150 150 GLU HG2 H 1 2.429 0.03 . 2 . . . . 176 GLU HG1 . 6726 1 1625 . 1 1 150 150 GLU HG3 H 1 2.255 0.03 . 2 . . . . 176 GLU HG2 . 6726 1 1626 . 1 1 150 150 GLU C C 13 178.262 0.3 . 1 . . . . 176 GLU C . 6726 1 1627 . 1 1 150 150 GLU CA C 13 58.700 0.3 . 1 . . . . 176 GLU CA . 6726 1 1628 . 1 1 150 150 GLU CB C 13 30.000 0.3 . 1 . . . . 176 GLU CB . 6726 1 1629 . 1 1 150 150 GLU CG C 13 36.022 0.3 . 1 . . . . 176 GLU CG . 6726 1 1630 . 1 1 150 150 GLU N N 15 120.660 0.3 . 1 . . . . 176 GLU N . 6726 1 1631 . 1 1 151 151 GLU H H 1 8.148 0.03 . 1 . . . . 177 GLU HN . 6726 1 1632 . 1 1 151 151 GLU HA H 1 4.210 0.03 . 1 . . . . 177 GLU HA . 6726 1 1633 . 1 1 151 151 GLU HB2 H 1 2.050 0.03 . 2 . . . . 177 GLU HB1 . 6726 1 1634 . 1 1 151 151 GLU HB3 H 1 2.130 0.03 . 2 . . . . 177 GLU HB2 . 6726 1 1635 . 1 1 151 151 GLU HG2 H 1 2.393 0.03 . 2 . . . . 177 GLU HG1 . 6726 1 1636 . 1 1 151 151 GLU HG3 H 1 2.329 0.03 . 2 . . . . 177 GLU HG2 . 6726 1 1637 . 1 1 151 151 GLU C C 13 178.577 0.3 . 1 . . . . 177 GLU C . 6726 1 1638 . 1 1 151 151 GLU CA C 13 58.028 0.3 . 1 . . . . 177 GLU CA . 6726 1 1639 . 1 1 151 151 GLU CB C 13 29.861 0.3 . 1 . . . . 177 GLU CB . 6726 1 1640 . 1 1 151 151 GLU CG C 13 36.319 0.3 . 1 . . . . 177 GLU CG . 6726 1 1641 . 1 1 151 151 GLU N N 15 118.952 0.3 . 1 . . . . 177 GLU N . 6726 1 1642 . 1 1 152 152 GLY H H 1 8.200 0.03 . 1 . . . . 178 GLY HN . 6726 1 1643 . 1 1 152 152 GLY HA2 H 1 4.031 0.03 . 2 . . . . 178 GLY HA1 . 6726 1 1644 . 1 1 152 152 GLY HA3 H 1 4.010 0.03 . 2 . . . . 178 GLY HA2 . 6726 1 1645 . 1 1 152 152 GLY C C 13 174.539 0.3 . 1 . . . . 178 GLY C . 6726 1 1646 . 1 1 152 152 GLY CA C 13 46.006 0.3 . 1 . . . . 178 GLY CA . 6726 1 1647 . 1 1 152 152 GLY N N 15 107.801 0.3 . 1 . . . . 178 GLY N . 6726 1 1648 . 1 1 153 153 ALA H H 1 7.736 0.03 . 1 . . . . 179 ALA HN . 6726 1 1649 . 1 1 153 153 ALA HA H 1 4.385 0.03 . 1 . . . . 179 ALA HA . 6726 1 1650 . 1 1 153 153 ALA HB1 H 1 1.469 0.03 . 1 . . . . 179 ALA HB1 . 6726 1 1651 . 1 1 153 153 ALA HB2 H 1 1.469 0.03 . 1 . . . . 179 ALA HB1 . 6726 1 1652 . 1 1 153 153 ALA HB3 H 1 1.469 0.03 . 1 . . . . 179 ALA HB1 . 6726 1 1653 . 1 1 153 153 ALA C C 13 177.790 0.3 . 1 . . . . 179 ALA C . 6726 1 1654 . 1 1 153 153 ALA CA C 13 52.619 0.3 . 1 . . . . 179 ALA CA . 6726 1 1655 . 1 1 153 153 ALA CB C 13 19.336 0.3 . 1 . . . . 179 ALA CB . 6726 1 1656 . 1 1 153 153 ALA N N 15 122.611 0.3 . 1 . . . . 179 ALA N . 6726 1 1657 . 1 1 154 154 LYS H H 1 7.874 0.03 . 1 . . . . 180 LYS HN . 6726 1 1658 . 1 1 154 154 LYS HA H 1 4.320 0.03 . 1 . . . . 180 LYS HA . 6726 1 1659 . 1 1 154 154 LYS HB2 H 1 1.830 0.03 . 2 . . . . 180 LYS HB1 . 6726 1 1660 . 1 1 154 154 LYS HB3 H 1 1.920 0.03 . 2 . . . . 180 LYS HB2 . 6726 1 1661 . 1 1 154 154 LYS HG2 H 1 1.552 0.03 . 2 . . . . 180 LYS HG1 . 6726 1 1662 . 1 1 154 154 LYS HG3 H 1 1.467 0.03 . 2 . . . . 180 LYS HG2 . 6726 1 1663 . 1 1 154 154 LYS HD2 H 1 1.716 0.03 . 2 . . . . 180 LYS HD1 . 6726 1 1664 . 1 1 154 154 LYS HD3 H 1 1.696 0.03 . 2 . . . . 180 LYS HD2 . 6726 1 1665 . 1 1 154 154 LYS HE2 H 1 2.542 0.03 . 2 . . . . 180 LYS HE1 . 6726 1 1666 . 1 1 154 154 LYS HE3 H 1 2.745 0.03 . 2 . . . . 180 LYS HE2 . 6726 1 1667 . 1 1 154 154 LYS C C 13 175.799 0.3 . 1 . . . . 180 LYS C . 6726 1 1668 . 1 1 154 154 LYS CA C 13 56.563 0.3 . 1 . . . . 180 LYS CA . 6726 1 1669 . 1 1 154 154 LYS CB C 13 32.892 0.3 . 1 . . . . 180 LYS CB . 6726 1 1670 . 1 1 154 154 LYS CG C 13 24.862 0.3 . 1 . . . . 180 LYS CG . 6726 1 1671 . 1 1 154 154 LYS CD C 13 29.128 0.3 . 1 . . . . 180 LYS CD . 6726 1 1672 . 1 1 154 154 LYS CE C 13 42.268 0.3 . 1 . . . . 180 LYS CE . 6726 1 1673 . 1 1 154 154 LYS N N 15 120.003 0.3 . 1 . . . . 180 LYS N . 6726 1 1674 . 1 1 155 155 LYS H H 1 7.827 0.03 . 1 . . . . 181 LYS HN . 6726 1 1675 . 1 1 155 155 LYS HA H 1 4.190 0.03 . 1 . . . . 181 LYS HA . 6726 1 1676 . 1 1 155 155 LYS HB2 H 1 1.860 0.03 . 2 . . . . 181 LYS HB1 . 6726 1 1677 . 1 1 155 155 LYS HB3 H 1 1.744 0.03 . 2 . . . . 181 LYS HB2 . 6726 1 1678 . 1 1 155 155 LYS HG2 H 1 1.503 0.03 . 2 . . . . 181 LYS HG1 . 6726 1 1679 . 1 1 155 155 LYS HG3 H 1 1.433 0.03 . 2 . . . . 181 LYS HG2 . 6726 1 1680 . 1 1 155 155 LYS HD2 H 1 2.150 0.03 . 2 . . . . 181 LYS HD1 . 6726 1 1681 . 1 1 155 155 LYS HD3 H 1 2.026 0.03 . 2 . . . . 181 LYS HD2 . 6726 1 1682 . 1 1 155 155 LYS HE2 H 1 3.030 0.03 . 1 . . . . 181 LYS HE1 . 6726 1 1683 . 1 1 155 155 LYS HE3 H 1 3.030 0.03 . 1 . . . . 181 LYS HE2 . 6726 1 1684 . 1 1 155 155 LYS CA C 13 57.727 0.3 . 1 . . . . 181 LYS CA . 6726 1 1685 . 1 1 155 155 LYS CB C 13 33.864 0.3 . 1 . . . . 181 LYS CB . 6726 1 1686 . 1 1 155 155 LYS CG C 13 24.770 0.3 . 1 . . . . 181 LYS CG . 6726 1 1687 . 1 1 155 155 LYS CD C 13 29.120 0.3 . 1 . . . . 181 LYS CD . 6726 1 1688 . 1 1 155 155 LYS CE C 13 42.340 0.3 . 1 . . . . 181 LYS CE . 6726 1 1689 . 1 1 155 155 LYS N N 15 127.627 0.3 . 1 . . . . 181 LYS N . 6726 1 stop_ save_