data_6864 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6864 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'egg case silk' 'Structure analysis' . 6864 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . 'egg case silk' 6864 1 . 'NMR assignment' 6864 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6864 _Entry.Title ; 1H, 13C and 15N resonance assignments of a repeat domain of the egg case silk from Nephila antipodiana ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-10-16 _Entry.Accession_date 2005-10-17 _Entry.Last_release_date . _Entry.Original_release_date . _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 Zhi Lin . . . 6864 2 Weidong Huang . . . 6864 3 Daiwen Yang . . . 6864 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6864 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 408 6864 '15N chemical shifts' 169 6864 '1H chemical shifts' 893 6864 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2007-02-08 2005-10-16 update BMRB 'complete entry citation' 6864 1 . . 2006-04-24 2005-10-16 original author 'original release' 6864 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6864 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16601859 _Citation.Full_citation . _Citation.Title ; Resonance Assignments of a Repeated Domain of the Egg Case Silk from Nephila Antipodiana ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _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 17 _Citation.Page_last 17 _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 Zhi Lin . . . 6864 1 2 Weidong Huang . . . 6864 1 3 Daiwen Yang . . . 6864 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'egg case silk' 6864 1 'NMR Assignment' 6864 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6864 _Assembly.ID 1 _Assembly.Name tusp1 _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 15144 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6864 1 stop_ 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 tu81d5 1 $tu81d5 . . yes native no no . . . 6864 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_tu81d5 _Entity.Sf_category entity _Entity.Sf_framecode tu81d5 _Entity.Entry_ID 6864 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name tu81d5 _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 ; GSSGATSQAASQSASSSYSS AFAQAASSALATSSAISRAF ASVSSASAASSLAYNIGLSA ARSLGIASDTALAGALAQAV GGVGAGASASAYANAIARAA GQFLATQGVLNAGNASALAG SFARALSASAESQSFAQSQA YQQASAFQQAAAQSAAQSAS RA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 162 _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 2014-05-12 loop_ _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 no PDB 2K3N . "Solution Structure Of The Type 1 Repetitive Domain (Tusp1- Rp1) Of The Egg Case Silk From Nephila Antipodiana" . . . . . 98.77 160 100.00 100.00 9.24e-87 . . . . 6864 1 no GB ACI23395 . "eggcase silk protein [Nephila antipodiana]" . . . . . 56.79 343 100.00 100.00 1.71e-34 . . . . 6864 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID tusp1 . 6864 1 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID . 'Three letter code' 6864 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID 'egg case silk' 6864 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 . GLY . 6864 1 2 . SER . 6864 1 3 . SER . 6864 1 4 . GLY . 6864 1 5 . ALA . 6864 1 6 . THR . 6864 1 7 . SER . 6864 1 8 . GLN . 6864 1 9 . ALA . 6864 1 10 . ALA . 6864 1 11 . SER . 6864 1 12 . GLN . 6864 1 13 . SER . 6864 1 14 . ALA . 6864 1 15 . SER . 6864 1 16 . SER . 6864 1 17 . SER . 6864 1 18 . TYR . 6864 1 19 . SER . 6864 1 20 . SER . 6864 1 21 . ALA . 6864 1 22 . PHE . 6864 1 23 . ALA . 6864 1 24 . GLN . 6864 1 25 . ALA . 6864 1 26 . ALA . 6864 1 27 . SER . 6864 1 28 . SER . 6864 1 29 . ALA . 6864 1 30 . LEU . 6864 1 31 . ALA . 6864 1 32 . THR . 6864 1 33 . SER . 6864 1 34 . SER . 6864 1 35 . ALA . 6864 1 36 . ILE . 6864 1 37 . SER . 6864 1 38 . ARG . 6864 1 39 . ALA . 6864 1 40 . PHE . 6864 1 41 . ALA . 6864 1 42 . SER . 6864 1 43 . VAL . 6864 1 44 . SER . 6864 1 45 . SER . 6864 1 46 . ALA . 6864 1 47 . SER . 6864 1 48 . ALA . 6864 1 49 . ALA . 6864 1 50 . SER . 6864 1 51 . SER . 6864 1 52 . LEU . 6864 1 53 . ALA . 6864 1 54 . TYR . 6864 1 55 . ASN . 6864 1 56 . ILE . 6864 1 57 . GLY . 6864 1 58 . LEU . 6864 1 59 . SER . 6864 1 60 . ALA . 6864 1 61 . ALA . 6864 1 62 . ARG . 6864 1 63 . SER . 6864 1 64 . LEU . 6864 1 65 . GLY . 6864 1 66 . ILE . 6864 1 67 . ALA . 6864 1 68 . SER . 6864 1 69 . ASP . 6864 1 70 . THR . 6864 1 71 . ALA . 6864 1 72 . LEU . 6864 1 73 . ALA . 6864 1 74 . GLY . 6864 1 75 . ALA . 6864 1 76 . LEU . 6864 1 77 . ALA . 6864 1 78 . GLN . 6864 1 79 . ALA . 6864 1 80 . VAL . 6864 1 81 . GLY . 6864 1 82 . GLY . 6864 1 83 . VAL . 6864 1 84 . GLY . 6864 1 85 . ALA . 6864 1 86 . GLY . 6864 1 87 . ALA . 6864 1 88 . SER . 6864 1 89 . ALA . 6864 1 90 . SER . 6864 1 91 . ALA . 6864 1 92 . TYR . 6864 1 93 . ALA . 6864 1 94 . ASN . 6864 1 95 . ALA . 6864 1 96 . ILE . 6864 1 97 . ALA . 6864 1 98 . ARG . 6864 1 99 . ALA . 6864 1 100 . ALA . 6864 1 101 . GLY . 6864 1 102 . GLN . 6864 1 103 . PHE . 6864 1 104 . LEU . 6864 1 105 . ALA . 6864 1 106 . THR . 6864 1 107 . GLN . 6864 1 108 . GLY . 6864 1 109 . VAL . 6864 1 110 . LEU . 6864 1 111 . ASN . 6864 1 112 . ALA . 6864 1 113 . GLY . 6864 1 114 . ASN . 6864 1 115 . ALA . 6864 1 116 . SER . 6864 1 117 . ALA . 6864 1 118 . LEU . 6864 1 119 . ALA . 6864 1 120 . GLY . 6864 1 121 . SER . 6864 1 122 . PHE . 6864 1 123 . ALA . 6864 1 124 . ARG . 6864 1 125 . ALA . 6864 1 126 . LEU . 6864 1 127 . SER . 6864 1 128 . ALA . 6864 1 129 . SER . 6864 1 130 . ALA . 6864 1 131 . GLU . 6864 1 132 . SER . 6864 1 133 . GLN . 6864 1 134 . SER . 6864 1 135 . PHE . 6864 1 136 . ALA . 6864 1 137 . GLN . 6864 1 138 . SER . 6864 1 139 . GLN . 6864 1 140 . ALA . 6864 1 141 . TYR . 6864 1 142 . GLN . 6864 1 143 . GLN . 6864 1 144 . ALA . 6864 1 145 . SER . 6864 1 146 . ALA . 6864 1 147 . PHE . 6864 1 148 . GLN . 6864 1 149 . GLN . 6864 1 150 . ALA . 6864 1 151 . ALA . 6864 1 152 . ALA . 6864 1 153 . GLN . 6864 1 154 . SER . 6864 1 155 . ALA . 6864 1 156 . ALA . 6864 1 157 . GLN . 6864 1 158 . SER . 6864 1 159 . ALA . 6864 1 160 . SER . 6864 1 161 . ARG . 6864 1 162 . ALA . 6864 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6864 1 . SER 2 2 6864 1 . SER 3 3 6864 1 . GLY 4 4 6864 1 . ALA 5 5 6864 1 . THR 6 6 6864 1 . SER 7 7 6864 1 . GLN 8 8 6864 1 . ALA 9 9 6864 1 . ALA 10 10 6864 1 . SER 11 11 6864 1 . GLN 12 12 6864 1 . SER 13 13 6864 1 . ALA 14 14 6864 1 . SER 15 15 6864 1 . SER 16 16 6864 1 . SER 17 17 6864 1 . TYR 18 18 6864 1 . SER 19 19 6864 1 . SER 20 20 6864 1 . ALA 21 21 6864 1 . PHE 22 22 6864 1 . ALA 23 23 6864 1 . GLN 24 24 6864 1 . ALA 25 25 6864 1 . ALA 26 26 6864 1 . SER 27 27 6864 1 . SER 28 28 6864 1 . ALA 29 29 6864 1 . LEU 30 30 6864 1 . ALA 31 31 6864 1 . THR 32 32 6864 1 . SER 33 33 6864 1 . SER 34 34 6864 1 . ALA 35 35 6864 1 . ILE 36 36 6864 1 . SER 37 37 6864 1 . ARG 38 38 6864 1 . ALA 39 39 6864 1 . PHE 40 40 6864 1 . ALA 41 41 6864 1 . SER 42 42 6864 1 . VAL 43 43 6864 1 . SER 44 44 6864 1 . SER 45 45 6864 1 . ALA 46 46 6864 1 . SER 47 47 6864 1 . ALA 48 48 6864 1 . ALA 49 49 6864 1 . SER 50 50 6864 1 . SER 51 51 6864 1 . LEU 52 52 6864 1 . ALA 53 53 6864 1 . TYR 54 54 6864 1 . ASN 55 55 6864 1 . ILE 56 56 6864 1 . GLY 57 57 6864 1 . LEU 58 58 6864 1 . SER 59 59 6864 1 . ALA 60 60 6864 1 . ALA 61 61 6864 1 . ARG 62 62 6864 1 . SER 63 63 6864 1 . LEU 64 64 6864 1 . GLY 65 65 6864 1 . ILE 66 66 6864 1 . ALA 67 67 6864 1 . SER 68 68 6864 1 . ASP 69 69 6864 1 . THR 70 70 6864 1 . ALA 71 71 6864 1 . LEU 72 72 6864 1 . ALA 73 73 6864 1 . GLY 74 74 6864 1 . ALA 75 75 6864 1 . LEU 76 76 6864 1 . ALA 77 77 6864 1 . GLN 78 78 6864 1 . ALA 79 79 6864 1 . VAL 80 80 6864 1 . GLY 81 81 6864 1 . GLY 82 82 6864 1 . VAL 83 83 6864 1 . GLY 84 84 6864 1 . ALA 85 85 6864 1 . GLY 86 86 6864 1 . ALA 87 87 6864 1 . SER 88 88 6864 1 . ALA 89 89 6864 1 . SER 90 90 6864 1 . ALA 91 91 6864 1 . TYR 92 92 6864 1 . ALA 93 93 6864 1 . ASN 94 94 6864 1 . ALA 95 95 6864 1 . ILE 96 96 6864 1 . ALA 97 97 6864 1 . ARG 98 98 6864 1 . ALA 99 99 6864 1 . ALA 100 100 6864 1 . GLY 101 101 6864 1 . GLN 102 102 6864 1 . PHE 103 103 6864 1 . LEU 104 104 6864 1 . ALA 105 105 6864 1 . THR 106 106 6864 1 . GLN 107 107 6864 1 . GLY 108 108 6864 1 . VAL 109 109 6864 1 . LEU 110 110 6864 1 . ASN 111 111 6864 1 . ALA 112 112 6864 1 . GLY 113 113 6864 1 . ASN 114 114 6864 1 . ALA 115 115 6864 1 . SER 116 116 6864 1 . ALA 117 117 6864 1 . LEU 118 118 6864 1 . ALA 119 119 6864 1 . GLY 120 120 6864 1 . SER 121 121 6864 1 . PHE 122 122 6864 1 . ALA 123 123 6864 1 . ARG 124 124 6864 1 . ALA 125 125 6864 1 . LEU 126 126 6864 1 . SER 127 127 6864 1 . ALA 128 128 6864 1 . SER 129 129 6864 1 . ALA 130 130 6864 1 . GLU 131 131 6864 1 . SER 132 132 6864 1 . GLN 133 133 6864 1 . SER 134 134 6864 1 . PHE 135 135 6864 1 . ALA 136 136 6864 1 . GLN 137 137 6864 1 . SER 138 138 6864 1 . GLN 139 139 6864 1 . ALA 140 140 6864 1 . TYR 141 141 6864 1 . GLN 142 142 6864 1 . GLN 143 143 6864 1 . ALA 144 144 6864 1 . SER 145 145 6864 1 . ALA 146 146 6864 1 . PHE 147 147 6864 1 . GLN 148 148 6864 1 . GLN 149 149 6864 1 . ALA 150 150 6864 1 . ALA 151 151 6864 1 . ALA 152 152 6864 1 . GLN 153 153 6864 1 . SER 154 154 6864 1 . ALA 155 155 6864 1 . ALA 156 156 6864 1 . GLN 157 157 6864 1 . SER 158 158 6864 1 . ALA 159 159 6864 1 . SER 160 160 6864 1 . ARG 161 161 6864 1 . ALA 162 162 6864 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 6864 _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 $tu81d5 . 6893 . no . 'golden web spider' . . Eukaryota Metazoa Arachnida araneae . . . . . . . . . . . . . . . . . . 'Class: Arachnida. Order: Araneae, and its Taxonomy ID: 6893.' . . 6864 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 6864 _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 $tu81d5 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6864 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6864 _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 tu81d5 '[U-99% 13C; U-99% 15N]' . . 1 $tu81d5 . . 1.0 . . mM . . . . 6864 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 6864 _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 pH 6.5 0.1 pH 6864 1 temperature 303 0.1 K 6864 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6864 _Software.ID 1 _Software.Name NMRView _Software.Version 5_2_2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'One Moon Scientific, Inc' 'Westfield, NJ, USA' . 6864 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 6864 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6864 _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 1H15N_HSQC no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6864 1 2 1H13C_HSQC no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6864 1 3 HNCACB no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6864 1 4 CBCA(CO)NH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6864 1 5 H(CCCO)NH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6864 1 6 CC(CO)NH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6864 1 7 3D_1H15N_NOESY no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6864 1 8 3D_1H13C_NOESY no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6864 1 9 HSQC_TOCSY no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6864 1 stop_ 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 6864 _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 . . . . . . . . . 6864 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6864 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6864 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 6864 _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 6864 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 6864 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 2 2 SER HA H 1 4.416 0.01 . 1 . . . . 2 SER HA . 6864 1 2 . 1 1 2 2 SER HB2 H 1 3.746 0.01 . 2 . . . . 2 SER HB2 . 6864 1 3 . 1 1 2 2 SER CA C 13 57.510 0.2 . 1 . . . . 2 SER CA . 6864 1 4 . 1 1 2 2 SER CB C 13 63.129 0.2 . 1 . . . . 2 SER CB . 6864 1 5 . 1 1 3 3 SER H H 1 8.485 0.01 . 1 . . . . 3 SER HN . 6864 1 6 . 1 1 3 3 SER HA H 1 4.354 0.01 . 1 . . . . 3 SER HA . 6864 1 7 . 1 1 3 3 SER HB2 H 1 3.758 0.01 . 1 . . . . 3 SER HB1 . 6864 1 8 . 1 1 3 3 SER HB3 H 1 3.758 0.01 . 1 . . . . 3 SER HB2 . 6864 1 9 . 1 1 3 3 SER CA C 13 57.773 0.2 . 1 . . . . 3 SER CA . 6864 1 10 . 1 1 3 3 SER CB C 13 63.020 0.2 . 1 . . . . 3 SER CB . 6864 1 11 . 1 1 3 3 SER N N 15 118.270 0.1 . 1 . . . . 3 SER N . 6864 1 12 . 1 1 4 4 GLY H H 1 8.339 0.01 . 1 . . . . 4 GLY HN . 6864 1 13 . 1 1 4 4 GLY HA2 H 1 3.826 0.01 . 1 . . . . 4 GLY HA1 . 6864 1 14 . 1 1 4 4 GLY HA3 H 1 3.826 0.01 . 1 . . . . 4 GLY HA2 . 6864 1 15 . 1 1 4 4 GLY CA C 13 44.411 0.2 . 1 . . . . 4 GLY CA . 6864 1 16 . 1 1 4 4 GLY N N 15 110.966 0.1 . 1 . . . . 4 GLY N . 6864 1 17 . 1 1 5 5 ALA H H 1 8.099 0.01 . 1 . . . . 5 ALA HN . 6864 1 18 . 1 1 5 5 ALA HA H 1 4.230 0.01 . 1 . . . . 5 ALA HA . 6864 1 19 . 1 1 5 5 ALA HB1 H 1 1.250 0.01 . 1 . . . . 5 ALA HB . 6864 1 20 . 1 1 5 5 ALA HB2 H 1 1.250 0.01 . 1 . . . . 5 ALA HB . 6864 1 21 . 1 1 5 5 ALA HB3 H 1 1.250 0.01 . 1 . . . . 5 ALA HB . 6864 1 22 . 1 1 5 5 ALA CA C 13 51.891 0.2 . 1 . . . . 5 ALA CA . 6864 1 23 . 1 1 5 5 ALA CB C 13 18.461 0.2 . 1 . . . . 5 ALA CB . 6864 1 24 . 1 1 5 5 ALA N N 15 123.918 0.1 . 1 . . . . 5 ALA N . 6864 1 25 . 1 1 6 6 THR H H 1 8.090 0.01 . 1 . . . . 6 THR HN . 6864 1 26 . 1 1 6 6 THR HA H 1 4.214 0.01 . 1 . . . . 6 THR HA . 6864 1 27 . 1 1 6 6 THR HB H 1 4.121 0.01 . 1 . . . . 6 THR HB . 6864 1 28 . 1 1 6 6 THR HG21 H 1 1.064 0.01 . 1 . . . . 6 THR HG2 . 6864 1 29 . 1 1 6 6 THR HG22 H 1 1.064 0.01 . 1 . . . . 6 THR HG2 . 6864 1 30 . 1 1 6 6 THR HG23 H 1 1.064 0.01 . 1 . . . . 6 THR HG2 . 6864 1 31 . 1 1 6 6 THR CA C 13 61.153 0.2 . 1 . . . . 6 THR CA . 6864 1 32 . 1 1 6 6 THR CB C 13 69.020 0.2 . 1 . . . . 6 THR CB . 6864 1 33 . 1 1 6 6 THR CG2 C 13 20.761 0.2 . 1 . . . . 6 THR CG2 . 6864 1 34 . 1 1 6 6 THR N N 15 113.266 0.1 . 1 . . . . 6 THR N . 6864 1 35 . 1 1 7 7 SER H H 1 8.201 0.01 . 1 . . . . 7 SER HN . 6864 1 36 . 1 1 7 7 SER HA H 1 4.297 0.01 . 1 . . . . 7 SER HA . 6864 1 37 . 1 1 7 7 SER HB2 H 1 3.746 0.01 . 1 . . . . 7 SER HB1 . 6864 1 38 . 1 1 7 7 SER HB3 H 1 3.746 0.01 . 1 . . . . 7 SER HB2 . 6864 1 39 . 1 1 7 7 SER CA C 13 57.659 0.2 . 1 . . . . 7 SER CA . 6864 1 40 . 1 1 7 7 SER CB C 13 62.949 0.2 . 1 . . . . 7 SER CB . 6864 1 41 . 1 1 7 7 SER N N 15 118.057 0.1 . 1 . . . . 7 SER N . 6864 1 42 . 1 1 8 8 GLN H H 1 8.329 0.01 . 1 . . . . 8 GLN HN . 6864 1 43 . 1 1 8 8 GLN HA H 1 4.162 0.01 . 1 . . . . 8 GLN HA . 6864 1 44 . 1 1 8 8 GLN HB2 H 1 1.828 0.01 . 2 . . . . 8 GLN HB1 . 6864 1 45 . 1 1 8 8 GLN HB3 H 1 1.964 0.01 . 2 . . . . 8 GLN HB2 . 6864 1 46 . 1 1 8 8 GLN HG2 H 1 2.205 0.01 . 2 . . . . 8 GLN HG1 . 6864 1 47 . 1 1 8 8 GLN HG3 H 1 2.210 0.01 . 2 . . . . 8 GLN HG2 . 6864 1 48 . 1 1 8 8 GLN CA C 13 55.323 0.2 . 1 . . . . 8 GLN CA . 6864 1 49 . 1 1 8 8 GLN CB C 13 28.511 0.2 . 1 . . . . 8 GLN CB . 6864 1 50 . 1 1 8 8 GLN CG C 13 32.972 0.2 . 1 . . . . 8 GLN CG . 6864 1 51 . 1 1 8 8 GLN N N 15 122.544 0.1 . 1 . . . . 8 GLN N . 6864 1 52 . 1 1 9 9 ALA H H 1 8.175 0.01 . 1 . . . . 9 ALA HN . 6864 1 53 . 1 1 9 9 ALA HA H 1 4.096 0.01 . 1 . . . . 9 ALA HA . 6864 1 54 . 1 1 9 9 ALA HB1 H 1 1.233 0.01 . 1 . . . . 9 ALA HB . 6864 1 55 . 1 1 9 9 ALA HB2 H 1 1.233 0.01 . 1 . . . . 9 ALA HB . 6864 1 56 . 1 1 9 9 ALA HB3 H 1 1.233 0.01 . 1 . . . . 9 ALA HB . 6864 1 57 . 1 1 9 9 ALA CA C 13 52.065 0.2 . 1 . . . . 9 ALA CA . 6864 1 58 . 1 1 9 9 ALA CB C 13 18.204 0.2 . 1 . . . . 9 ALA CB . 6864 1 59 . 1 1 9 9 ALA N N 15 125.038 0.1 . 1 . . . . 9 ALA N . 6864 1 60 . 1 1 10 10 ALA H H 1 8.174 0.01 . 1 . . . . 10 ALA HN . 6864 1 61 . 1 1 10 10 ALA HA H 1 4.142 0.01 . 1 . . . . 10 ALA HA . 6864 1 62 . 1 1 10 10 ALA HB1 H 1 1.260 0.01 . 1 . . . . 10 ALA HB . 6864 1 63 . 1 1 10 10 ALA HB2 H 1 1.260 0.01 . 1 . . . . 10 ALA HB . 6864 1 64 . 1 1 10 10 ALA HB3 H 1 1.260 0.01 . 1 . . . . 10 ALA HB . 6864 1 65 . 1 1 10 10 ALA CA C 13 52.016 0.2 . 1 . . . . 10 ALA CA . 6864 1 66 . 1 1 10 10 ALA CB C 13 18.192 0.2 . 1 . . . . 10 ALA CB . 6864 1 67 . 1 1 10 10 ALA N N 15 123.182 0.1 . 1 . . . . 10 ALA N . 6864 1 68 . 1 1 11 11 SER H H 1 8.116 0.01 . 1 . . . . 11 SER HN . 6864 1 69 . 1 1 11 11 SER HA H 1 4.241 0.01 . 1 . . . . 11 SER HA . 6864 1 70 . 1 1 11 11 SER HB2 H 1 3.740 0.01 . 1 . . . . 11 SER HB1 . 6864 1 71 . 1 1 11 11 SER HB3 H 1 3.740 0.01 . 1 . . . . 11 SER HB2 . 6864 1 72 . 1 1 11 11 SER CA C 13 57.910 0.2 . 1 . . . . 11 SER CA . 6864 1 73 . 1 1 11 11 SER CB C 13 62.852 0.2 . 1 . . . . 11 SER CB . 6864 1 74 . 1 1 11 11 SER N N 15 114.862 0.1 . 1 . . . . 11 SER N . 6864 1 75 . 1 1 12 12 GLN H H 1 8.268 0.01 . 1 . . . . 12 GLN HN . 6864 1 76 . 1 1 12 12 GLN HA H 1 4.192 0.01 . 1 . . . . 12 GLN HA . 6864 1 77 . 1 1 12 12 GLN HB2 H 1 1.852 0.01 . 2 . . . . 12 GLN HB1 . 6864 1 78 . 1 1 12 12 GLN HB3 H 1 1.982 0.01 . 2 . . . . 12 GLN HB2 . 6864 1 79 . 1 1 12 12 GLN HG2 H 1 2.221 0.01 . 1 . . . . 12 GLN HG1 . 6864 1 80 . 1 1 12 12 GLN HG3 H 1 2.221 0.01 . 1 . . . . 12 GLN HG2 . 6864 1 81 . 1 1 12 12 GLN CA C 13 55.504 0.2 . 1 . . . . 12 GLN CA . 6864 1 82 . 1 1 12 12 GLN CB C 13 28.464 0.2 . 1 . . . . 12 GLN CB . 6864 1 83 . 1 1 12 12 GLN CG C 13 32.998 0.2 . 1 . . . . 12 GLN CG . 6864 1 84 . 1 1 12 12 GLN N N 15 122.222 0.1 . 1 . . . . 12 GLN N . 6864 1 85 . 1 1 13 13 SER H H 1 8.198 0.01 . 1 . . . . 13 SER HN . 6864 1 86 . 1 1 13 13 SER HA H 1 4.240 0.01 . 1 . . . . 13 SER HA . 6864 1 87 . 1 1 13 13 SER HB2 H 1 3.721 0.01 . 2 . . . . 13 SER HB1 . 6864 1 88 . 1 1 13 13 SER HB3 H 1 3.749 0.01 . 2 . . . . 13 SER HB2 . 6864 1 89 . 1 1 13 13 SER CA C 13 57.920 0.2 . 1 . . . . 13 SER CA . 6864 1 90 . 1 1 13 13 SER CB C 13 62.897 0.2 . 1 . . . . 13 SER CB . 6864 1 91 . 1 1 13 13 SER N N 15 116.691 0.1 . 1 . . . . 13 SER N . 6864 1 92 . 1 1 14 14 ALA H H 1 8.260 0.01 . 1 . . . . 14 ALA HN . 6864 1 93 . 1 1 14 14 ALA HA H 1 4.078 0.01 . 1 . . . . 14 ALA HA . 6864 1 94 . 1 1 14 14 ALA HB1 H 1 1.252 0.01 . 1 . . . . 14 ALA HB . 6864 1 95 . 1 1 14 14 ALA HB2 H 1 1.252 0.01 . 1 . . . . 14 ALA HB . 6864 1 96 . 1 1 14 14 ALA HB3 H 1 1.252 0.01 . 1 . . . . 14 ALA HB . 6864 1 97 . 1 1 14 14 ALA CA C 13 52.656 0.2 . 1 . . . . 14 ALA CA . 6864 1 98 . 1 1 14 14 ALA CB C 13 17.931 0.2 . 1 . . . . 14 ALA CB . 6864 1 99 . 1 1 14 14 ALA N N 15 126.179 0.1 . 1 . . . . 14 ALA N . 6864 1 100 . 1 1 15 15 SER H H 1 8.099 0.01 . 1 . . . . 15 SER HN . 6864 1 101 . 1 1 15 15 SER HA H 1 3.961 0.01 . 1 . . . . 15 SER HA . 6864 1 102 . 1 1 15 15 SER HB2 H 1 3.682 0.01 . 2 . . . . 15 SER HB1 . 6864 1 103 . 1 1 15 15 SER HB3 H 1 3.700 0.01 . 2 . . . . 15 SER HB2 . 6864 1 104 . 1 1 15 15 SER CA C 13 58.693 0.2 . 1 . . . . 15 SER CA . 6864 1 105 . 1 1 15 15 SER CB C 13 62.576 0.2 . 1 . . . . 15 SER CB . 6864 1 106 . 1 1 15 15 SER N N 15 113.834 0.1 . 1 . . . . 15 SER N . 6864 1 107 . 1 1 16 16 SER H H 1 7.960 0.01 . 1 . . . . 16 SER HN . 6864 1 108 . 1 1 16 16 SER HA H 1 4.165 0.01 . 1 . . . . 16 SER HA . 6864 1 109 . 1 1 16 16 SER HB2 H 1 3.690 0.01 . 1 . . . . 16 SER HB1 . 6864 1 110 . 1 1 16 16 SER HB3 H 1 3.690 0.01 . 1 . . . . 16 SER HB2 . 6864 1 111 . 1 1 16 16 SER CA C 13 58.727 0.2 . 1 . . . . 16 SER CA . 6864 1 112 . 1 1 16 16 SER CB C 13 62.571 0.2 . 1 . . . . 16 SER CB . 6864 1 113 . 1 1 16 16 SER N N 15 117.194 0.1 . 1 . . . . 16 SER N . 6864 1 114 . 1 1 17 17 SER H H 1 8.015 0.01 . 1 . . . . 17 SER HN . 6864 1 115 . 1 1 17 17 SER HA H 1 4.184 0.01 . 1 . . . . 17 SER HA . 6864 1 116 . 1 1 17 17 SER HB2 H 1 3.703 0.01 . 1 . . . . 17 SER HB1 . 6864 1 117 . 1 1 17 17 SER HB3 H 1 3.703 0.01 . 1 . . . . 17 SER HB2 . 6864 1 118 . 1 1 17 17 SER CA C 13 58.960 0.2 . 1 . . . . 17 SER CA . 6864 1 119 . 1 1 17 17 SER CB C 13 62.208 0.2 . 1 . . . . 17 SER CB . 6864 1 120 . 1 1 17 17 SER N N 15 118.054 0.1 . 1 . . . . 17 SER N . 6864 1 121 . 1 1 18 18 TYR H H 1 7.570 0.01 . 1 . . . . 18 TYR HN . 6864 1 122 . 1 1 18 18 TYR HA H 1 4.504 0.01 . 1 . . . . 18 TYR HA . 6864 1 123 . 1 1 18 18 TYR HB2 H 1 2.714 0.01 . 2 . . . . 18 TYR HB1 . 6864 1 124 . 1 1 18 18 TYR HB3 H 1 2.940 0.01 . 2 . . . . 18 TYR HB2 . 6864 1 125 . 1 1 18 18 TYR HD1 H 1 6.789 0.01 . 1 . . . . 18 TYR HD1 . 6864 1 126 . 1 1 18 18 TYR HD2 H 1 6.789 0.01 . 1 . . . . 18 TYR HD2 . 6864 1 127 . 1 1 18 18 TYR HE1 H 1 6.648 0.01 . 1 . . . . 18 TYR HE1 . 6864 1 128 . 1 1 18 18 TYR HE2 H 1 6.648 0.01 . 1 . . . . 18 TYR HE2 . 6864 1 129 . 1 1 18 18 TYR CA C 13 57.590 0.2 . 1 . . . . 18 TYR CA . 6864 1 130 . 1 1 18 18 TYR CB C 13 36.650 0.2 . 1 . . . . 18 TYR CB . 6864 1 131 . 1 1 18 18 TYR CD1 C 13 131.992 0.2 . 1 . . . . 18 TYR CD1 . 6864 1 132 . 1 1 18 18 TYR CD2 C 13 131.992 0.2 . 1 . . . . 18 TYR CD2 . 6864 1 133 . 1 1 18 18 TYR CE1 C 13 117.681 0.2 . 1 . . . . 18 TYR CE1 . 6864 1 134 . 1 1 18 18 TYR CE2 C 13 117.681 0.2 . 1 . . . . 18 TYR CE2 . 6864 1 135 . 1 1 18 18 TYR N N 15 121.296 0.1 . 1 . . . . 18 TYR N . 6864 1 136 . 1 1 19 19 SER H H 1 7.962 0.01 . 1 . . . . 19 SER HN . 6864 1 137 . 1 1 19 19 SER HA H 1 3.806 0.01 . 1 . . . . 19 SER HA . 6864 1 138 . 1 1 19 19 SER HB2 H 1 3.524 0.01 . 2 . . . . 19 SER HB1 . 6864 1 139 . 1 1 19 19 SER HB3 H 1 3.620 0.01 . 2 . . . . 19 SER HB2 . 6864 1 140 . 1 1 19 19 SER CA C 13 60.750 0.2 . 1 . . . . 19 SER CA . 6864 1 141 . 1 1 19 19 SER CB C 13 61.428 0.2 . 1 . . . . 19 SER CB . 6864 1 142 . 1 1 19 19 SER N N 15 115.947 0.1 . 1 . . . . 19 SER N . 6864 1 143 . 1 1 20 20 SER H H 1 7.881 0.01 . 1 . . . . 20 SER HN . 6864 1 144 . 1 1 20 20 SER HA H 1 4.200 0.01 . 1 . . . . 20 SER HA . 6864 1 145 . 1 1 20 20 SER HB2 H 1 3.820 0.01 . 2 . . . . 20 SER HB1 . 6864 1 146 . 1 1 20 20 SER HB3 H 1 3.840 0.01 . 2 . . . . 20 SER HB2 . 6864 1 147 . 1 1 20 20 SER CA C 13 60.719 0.2 . 1 . . . . 20 SER CA . 6864 1 148 . 1 1 20 20 SER CB C 13 61.600 0.2 . 1 . . . . 20 SER CB . 6864 1 149 . 1 1 20 20 SER N N 15 117.429 0.1 . 1 . . . . 20 SER N . 6864 1 150 . 1 1 21 21 ALA H H 1 7.904 0.01 . 1 . . . . 21 ALA HN . 6864 1 151 . 1 1 21 21 ALA HA H 1 4.050 0.01 . 1 . . . . 21 ALA HA . 6864 1 152 . 1 1 21 21 ALA HB1 H 1 1.430 0.01 . 1 . . . . 21 ALA HB . 6864 1 153 . 1 1 21 21 ALA HB2 H 1 1.430 0.01 . 1 . . . . 21 ALA HB . 6864 1 154 . 1 1 21 21 ALA HB3 H 1 1.430 0.01 . 1 . . . . 21 ALA HB . 6864 1 155 . 1 1 21 21 ALA CA C 13 54.481 0.2 . 1 . . . . 21 ALA CA . 6864 1 156 . 1 1 21 21 ALA CB C 13 17.293 0.2 . 1 . . . . 21 ALA CB . 6864 1 157 . 1 1 21 21 ALA N N 15 125.303 0.1 . 1 . . . . 21 ALA N . 6864 1 158 . 1 1 22 22 PHE H H 1 8.305 0.01 . 1 . . . . 22 PHE HN . 6864 1 159 . 1 1 22 22 PHE HA H 1 3.906 0.01 . 1 . . . . 22 PHE HA . 6864 1 160 . 1 1 22 22 PHE HB2 H 1 3.030 0.01 . 2 . . . . 22 PHE HB1 . 6864 1 161 . 1 1 22 22 PHE HB3 H 1 3.236 0.01 . 2 . . . . 22 PHE HB2 . 6864 1 162 . 1 1 22 22 PHE HD1 H 1 7.050 0.01 . 1 . . . . 22 PHE HD1 . 6864 1 163 . 1 1 22 22 PHE HD2 H 1 7.050 0.01 . 1 . . . . 22 PHE HD2 . 6864 1 164 . 1 1 22 22 PHE CA C 13 59.886 0.2 . 1 . . . . 22 PHE CA . 6864 1 165 . 1 1 22 22 PHE CB C 13 39.057 0.2 . 1 . . . . 22 PHE CB . 6864 1 166 . 1 1 22 22 PHE N N 15 118.975 0.1 . 1 . . . . 22 PHE N . 6864 1 167 . 1 1 23 23 ALA H H 1 8.702 0.01 . 1 . . . . 23 ALA HN . 6864 1 168 . 1 1 23 23 ALA HA H 1 3.739 0.01 . 1 . . . . 23 ALA HA . 6864 1 169 . 1 1 23 23 ALA HB1 H 1 1.457 0.01 . 1 . . . . 23 ALA HB . 6864 1 170 . 1 1 23 23 ALA HB2 H 1 1.457 0.01 . 1 . . . . 23 ALA HB . 6864 1 171 . 1 1 23 23 ALA HB3 H 1 1.457 0.01 . 1 . . . . 23 ALA HB . 6864 1 172 . 1 1 23 23 ALA CA C 13 54.619 0.2 . 1 . . . . 23 ALA CA . 6864 1 173 . 1 1 23 23 ALA CB C 13 17.168 0.2 . 1 . . . . 23 ALA CB . 6864 1 174 . 1 1 23 23 ALA N N 15 121.916 0.1 . 1 . . . . 23 ALA N . 6864 1 175 . 1 1 24 24 GLN H H 1 8.384 0.01 . 1 . . . . 24 GLN HN . 6864 1 176 . 1 1 24 24 GLN HA H 1 3.840 0.01 . 1 . . . . 24 GLN HA . 6864 1 177 . 1 1 24 24 GLN HB2 H 1 1.960 0.01 . 2 . . . . 24 GLN HB1 . 6864 1 178 . 1 1 24 24 GLN HB3 H 1 1.980 0.01 . 2 . . . . 24 GLN HB2 . 6864 1 179 . 1 1 24 24 GLN HG2 H 1 2.346 0.01 . 2 . . . . 24 GLN HG1 . 6864 1 180 . 1 1 24 24 GLN HG3 H 1 2.239 0.01 . 2 . . . . 24 GLN HG2 . 6864 1 181 . 1 1 24 24 GLN HE21 H 1 7.262 0.01 . 2 . . . . 24 GLN HE21 . 6864 1 182 . 1 1 24 24 GLN HE22 H 1 6.728 0.01 . 2 . . . . 24 GLN HE22 . 6864 1 183 . 1 1 24 24 GLN CA C 13 58.320 0.2 . 1 . . . . 24 GLN CA . 6864 1 184 . 1 1 24 24 GLN CB C 13 27.811 0.2 . 1 . . . . 24 GLN CB . 6864 1 185 . 1 1 24 24 GLN CG C 13 33.048 0.2 . 1 . . . . 24 GLN CG . 6864 1 186 . 1 1 24 24 GLN N N 15 118.620 0.1 . 1 . . . . 24 GLN N . 6864 1 187 . 1 1 24 24 GLN NE2 N 15 111.929 0.1 . 1 . . . . 24 GLN NE2 . 6864 1 188 . 1 1 25 25 ALA H H 1 7.239 0.01 . 1 . . . . 25 ALA HN . 6864 1 189 . 1 1 25 25 ALA HA H 1 4.019 0.01 . 1 . . . . 25 ALA HA . 6864 1 190 . 1 1 25 25 ALA HB1 H 1 1.208 0.01 . 1 . . . . 25 ALA HB . 6864 1 191 . 1 1 25 25 ALA HB2 H 1 1.208 0.01 . 1 . . . . 25 ALA HB . 6864 1 192 . 1 1 25 25 ALA HB3 H 1 1.208 0.01 . 1 . . . . 25 ALA HB . 6864 1 193 . 1 1 25 25 ALA CA C 13 53.791 0.2 . 1 . . . . 25 ALA CA . 6864 1 194 . 1 1 25 25 ALA CB C 13 17.518 0.2 . 1 . . . . 25 ALA CB . 6864 1 195 . 1 1 25 25 ALA N N 15 121.077 0.1 . 1 . . . . 25 ALA N . 6864 1 196 . 1 1 26 26 ALA H H 1 8.885 0.01 . 1 . . . . 26 ALA HN . 6864 1 197 . 1 1 26 26 ALA HA H 1 3.749 0.01 . 1 . . . . 26 ALA HA . 6864 1 198 . 1 1 26 26 ALA HB1 H 1 0.934 0.01 . 1 . . . . 26 ALA HB . 6864 1 199 . 1 1 26 26 ALA HB2 H 1 0.934 0.01 . 1 . . . . 26 ALA HB . 6864 1 200 . 1 1 26 26 ALA HB3 H 1 0.934 0.01 . 1 . . . . 26 ALA HB . 6864 1 201 . 1 1 26 26 ALA CA C 13 53.947 0.2 . 1 . . . . 26 ALA CA . 6864 1 202 . 1 1 26 26 ALA CB C 13 16.580 0.2 . 1 . . . . 26 ALA CB . 6864 1 203 . 1 1 26 26 ALA N N 15 120.522 0.1 . 1 . . . . 26 ALA N . 6864 1 204 . 1 1 27 27 SER H H 1 8.480 0.01 . 1 . . . . 27 SER HN . 6864 1 205 . 1 1 27 27 SER HA H 1 3.680 0.01 . 1 . . . . 27 SER HA . 6864 1 206 . 1 1 27 27 SER HB2 H 1 3.800 0.01 . 2 . . . . 27 SER HB1 . 6864 1 207 . 1 1 27 27 SER HB3 H 1 3.798 0.01 . 2 . . . . 27 SER HB2 . 6864 1 208 . 1 1 27 27 SER CA C 13 61.600 0.2 . 1 . . . . 27 SER CA . 6864 1 209 . 1 1 27 27 SER CB C 13 61.750 0.2 . 1 . . . . 27 SER CB . 6864 1 210 . 1 1 27 27 SER N N 15 113.717 0.1 . 1 . . . . 27 SER N . 6864 1 211 . 1 1 28 28 SER H H 1 7.377 0.01 . 1 . . . . 28 SER HN . 6864 1 212 . 1 1 28 28 SER HA H 1 4.028 0.01 . 1 . . . . 28 SER HA . 6864 1 213 . 1 1 28 28 SER HB2 H 1 3.770 0.01 . 2 . . . . 28 SER HB1 . 6864 1 214 . 1 1 28 28 SER HB3 H 1 3.780 0.01 . 2 . . . . 28 SER HB2 . 6864 1 215 . 1 1 28 28 SER CA C 13 60.758 0.2 . 1 . . . . 28 SER CA . 6864 1 216 . 1 1 28 28 SER CB C 13 61.846 0.2 . 1 . . . . 28 SER CB . 6864 1 217 . 1 1 28 28 SER N N 15 115.740 0.1 . 1 . . . . 28 SER N . 6864 1 218 . 1 1 29 29 ALA H H 1 7.125 0.01 . 1 . . . . 29 ALA HN . 6864 1 219 . 1 1 29 29 ALA HA H 1 4.040 0.01 . 1 . . . . 29 ALA HA . 6864 1 220 . 1 1 29 29 ALA HB1 H 1 1.233 0.01 . 1 . . . . 29 ALA HB . 6864 1 221 . 1 1 29 29 ALA HB2 H 1 1.233 0.01 . 1 . . . . 29 ALA HB . 6864 1 222 . 1 1 29 29 ALA HB3 H 1 1.233 0.01 . 1 . . . . 29 ALA HB . 6864 1 223 . 1 1 29 29 ALA CA C 13 53.602 0.2 . 1 . . . . 29 ALA CA . 6864 1 224 . 1 1 29 29 ALA CB C 13 17.793 0.2 . 1 . . . . 29 ALA CB . 6864 1 225 . 1 1 29 29 ALA N N 15 122.077 0.1 . 1 . . . . 29 ALA N . 6864 1 226 . 1 1 30 30 LEU H H 1 8.346 0.01 . 1 . . . . 30 LEU HN . 6864 1 227 . 1 1 30 30 LEU HA H 1 3.954 0.01 . 1 . . . . 30 LEU HA . 6864 1 228 . 1 1 30 30 LEU HB2 H 1 1.120 0.01 . 2 . . . . 30 LEU HB1 . 6864 1 229 . 1 1 30 30 LEU HB3 H 1 1.890 0.01 . 2 . . . . 30 LEU HB2 . 6864 1 230 . 1 1 30 30 LEU HG H 1 1.885 0.01 . 1 . . . . 30 LEU HG . 6864 1 231 . 1 1 30 30 LEU HD11 H 1 0.728 0.01 . 2 . . . . 30 LEU HD1 . 6864 1 232 . 1 1 30 30 LEU HD12 H 1 0.728 0.01 . 2 . . . . 30 LEU HD1 . 6864 1 233 . 1 1 30 30 LEU HD13 H 1 0.728 0.01 . 2 . . . . 30 LEU HD1 . 6864 1 234 . 1 1 30 30 LEU HD21 H 1 0.825 0.01 . 2 . . . . 30 LEU HD2 . 6864 1 235 . 1 1 30 30 LEU HD22 H 1 0.825 0.01 . 2 . . . . 30 LEU HD2 . 6864 1 236 . 1 1 30 30 LEU HD23 H 1 0.825 0.01 . 2 . . . . 30 LEU HD2 . 6864 1 237 . 1 1 30 30 LEU CA C 13 56.355 0.2 . 1 . . . . 30 LEU CA . 6864 1 238 . 1 1 30 30 LEU CB C 13 42.212 0.2 . 1 . . . . 30 LEU CB . 6864 1 239 . 1 1 30 30 LEU CG C 13 26.300 0.2 . 1 . . . . 30 LEU CG . 6864 1 240 . 1 1 30 30 LEU CD1 C 13 25.401 0.2 . 1 . . . . 30 LEU CD1 . 6864 1 241 . 1 1 30 30 LEU CD2 C 13 23.499 0.2 . 1 . . . . 30 LEU CD2 . 6864 1 242 . 1 1 30 30 LEU N N 15 117.923 0.1 . 1 . . . . 30 LEU N . 6864 1 243 . 1 1 31 31 ALA H H 1 7.929 0.01 . 1 . . . . 31 ALA HN . 6864 1 244 . 1 1 31 31 ALA HA H 1 3.822 0.01 . 1 . . . . 31 ALA HA . 6864 1 245 . 1 1 31 31 ALA HB1 H 1 1.325 0.01 . 1 . . . . 31 ALA HB . 6864 1 246 . 1 1 31 31 ALA HB2 H 1 1.325 0.01 . 1 . . . . 31 ALA HB . 6864 1 247 . 1 1 31 31 ALA HB3 H 1 1.325 0.01 . 1 . . . . 31 ALA HB . 6864 1 248 . 1 1 31 31 ALA CA C 13 53.672 0.2 . 1 . . . . 31 ALA CA . 6864 1 249 . 1 1 31 31 ALA CB C 13 17.538 0.2 . 1 . . . . 31 ALA CB . 6864 1 250 . 1 1 31 31 ALA N N 15 119.689 0.1 . 1 . . . . 31 ALA N . 6864 1 251 . 1 1 32 32 THR H H 1 7.035 0.01 . 1 . . . . 32 THR HN . 6864 1 252 . 1 1 32 32 THR HA H 1 4.249 0.01 . 1 . . . . 32 THR HA . 6864 1 253 . 1 1 32 32 THR HB H 1 4.368 0.01 . 1 . . . . 32 THR HB . 6864 1 254 . 1 1 32 32 THR HG21 H 1 1.087 0.01 . 1 . . . . 32 THR HG2 . 6864 1 255 . 1 1 32 32 THR HG22 H 1 1.087 0.01 . 1 . . . . 32 THR HG2 . 6864 1 256 . 1 1 32 32 THR HG23 H 1 1.087 0.01 . 1 . . . . 32 THR HG2 . 6864 1 257 . 1 1 32 32 THR CA C 13 60.170 0.2 . 1 . . . . 32 THR CA . 6864 1 258 . 1 1 32 32 THR CB C 13 68.406 0.2 . 1 . . . . 32 THR CB . 6864 1 259 . 1 1 32 32 THR CG2 C 13 20.554 0.2 . 1 . . . . 32 THR CG2 . 6864 1 260 . 1 1 32 32 THR N N 15 104.521 0.1 . 1 . . . . 32 THR N . 6864 1 261 . 1 1 33 33 SER H H 1 7.040 0.01 . 1 . . . . 33 SER HN . 6864 1 262 . 1 1 33 33 SER HA H 1 4.565 0.01 . 1 . . . . 33 SER HA . 6864 1 263 . 1 1 33 33 SER HB2 H 1 3.900 0.01 . 2 . . . . 33 SER HB1 . 6864 1 264 . 1 1 33 33 SER HB3 H 1 3.933 0.01 . 2 . . . . 33 SER HB2 . 6864 1 265 . 1 1 33 33 SER CA C 13 55.715 0.2 . 1 . . . . 33 SER CA . 6864 1 266 . 1 1 33 33 SER CB C 13 62.190 0.2 . 1 . . . . 33 SER CB . 6864 1 267 . 1 1 33 33 SER N N 15 116.065 0.1 . 1 . . . . 33 SER N . 6864 1 268 . 1 1 34 34 SER H H 1 9.085 0.01 . 1 . . . . 34 SER HN . 6864 1 269 . 1 1 34 34 SER HA H 1 4.178 0.01 . 1 . . . . 34 SER HA . 6864 1 270 . 1 1 34 34 SER HB2 H 1 3.818 0.01 . 1 . . . . 34 SER HB1 . 6864 1 271 . 1 1 34 34 SER HB3 H 1 3.818 0.01 . 1 . . . . 34 SER HB2 . 6864 1 272 . 1 1 34 34 SER CA C 13 60.098 0.2 . 1 . . . . 34 SER CA . 6864 1 273 . 1 1 34 34 SER CB C 13 61.808 0.2 . 1 . . . . 34 SER CB . 6864 1 274 . 1 1 34 34 SER N N 15 128.307 0.1 . 1 . . . . 34 SER N . 6864 1 275 . 1 1 35 35 ALA H H 1 8.240 0.01 . 1 . . . . 35 ALA HN . 6864 1 276 . 1 1 35 35 ALA HA H 1 3.910 0.01 . 1 . . . . 35 ALA HA . 6864 1 277 . 1 1 35 35 ALA HB1 H 1 1.249 0.01 . 1 . . . . 35 ALA HB . 6864 1 278 . 1 1 35 35 ALA HB2 H 1 1.249 0.01 . 1 . . . . 35 ALA HB . 6864 1 279 . 1 1 35 35 ALA HB3 H 1 1.249 0.01 . 1 . . . . 35 ALA HB . 6864 1 280 . 1 1 35 35 ALA CA C 13 54.390 0.2 . 1 . . . . 35 ALA CA . 6864 1 281 . 1 1 35 35 ALA CB C 13 18.827 0.2 . 1 . . . . 35 ALA CB . 6864 1 282 . 1 1 35 35 ALA N N 15 123.891 0.1 . 1 . . . . 35 ALA N . 6864 1 283 . 1 1 36 36 ILE H H 1 7.555 0.01 . 1 . . . . 36 ILE HN . 6864 1 284 . 1 1 36 36 ILE HA H 1 3.566 0.01 . 1 . . . . 36 ILE HA . 6864 1 285 . 1 1 36 36 ILE HB H 1 2.232 0.01 . 1 . . . . 36 ILE HB . 6864 1 286 . 1 1 36 36 ILE HG12 H 1 1.420 0.01 . 1 . . . . 36 ILE HG11 . 6864 1 287 . 1 1 36 36 ILE HG13 H 1 1.425 0.01 . 1 . . . . 36 ILE HG12 . 6864 1 288 . 1 1 36 36 ILE HG21 H 1 0.815 0.01 . 1 . . . . 36 ILE HG2 . 6864 1 289 . 1 1 36 36 ILE HG22 H 1 0.815 0.01 . 1 . . . . 36 ILE HG2 . 6864 1 290 . 1 1 36 36 ILE HG23 H 1 0.815 0.01 . 1 . . . . 36 ILE HG2 . 6864 1 291 . 1 1 36 36 ILE HD11 H 1 0.490 0.01 . 1 . . . . 36 ILE HD1 . 6864 1 292 . 1 1 36 36 ILE HD12 H 1 0.490 0.01 . 1 . . . . 36 ILE HD1 . 6864 1 293 . 1 1 36 36 ILE HD13 H 1 0.490 0.01 . 1 . . . . 36 ILE HD1 . 6864 1 294 . 1 1 36 36 ILE CA C 13 61.223 0.2 . 1 . . . . 36 ILE CA . 6864 1 295 . 1 1 36 36 ILE CB C 13 34.808 0.2 . 1 . . . . 36 ILE CB . 6864 1 296 . 1 1 36 36 ILE CG1 C 13 26.197 0.2 . 1 . . . . 36 ILE CG1 . 6864 1 297 . 1 1 36 36 ILE CG2 C 13 15.600 0.2 . 1 . . . . 36 ILE CG2 . 6864 1 298 . 1 1 36 36 ILE CD1 C 13 8.750 0.2 . 1 . . . . 36 ILE CD1 . 6864 1 299 . 1 1 36 36 ILE N N 15 118.231 0.1 . 1 . . . . 36 ILE N . 6864 1 300 . 1 1 37 37 SER H H 1 7.742 0.01 . 1 . . . . 37 SER HN . 6864 1 301 . 1 1 37 37 SER HA H 1 4.033 0.01 . 1 . . . . 37 SER HA . 6864 1 302 . 1 1 37 37 SER HB2 H 1 3.860 0.01 . 2 . . . . 37 SER HB1 . 6864 1 303 . 1 1 37 37 SER HB3 H 1 3.880 0.01 . 2 . . . . 37 SER HB2 . 6864 1 304 . 1 1 37 37 SER CA C 13 60.980 0.2 . 1 . . . . 37 SER CA . 6864 1 305 . 1 1 37 37 SER CB C 13 61.545 0.2 . 1 . . . . 37 SER CB . 6864 1 306 . 1 1 37 37 SER N N 15 114.685 0.1 . 1 . . . . 37 SER N . 6864 1 307 . 1 1 38 38 ARG H H 1 8.238 0.01 . 1 . . . . 38 ARG HN . 6864 1 308 . 1 1 38 38 ARG HA H 1 3.884 0.01 . 1 . . . . 38 ARG HA . 6864 1 309 . 1 1 38 38 ARG HB2 H 1 1.634 0.01 . 2 . . . . 38 ARG HB1 . 6864 1 310 . 1 1 38 38 ARG HB3 H 1 1.733 0.01 . 2 . . . . 38 ARG HB2 . 6864 1 311 . 1 1 38 38 ARG HG2 H 1 1.400 0.01 . 2 . . . . 38 ARG HG1 . 6864 1 312 . 1 1 38 38 ARG HG3 H 1 1.625 0.01 . 2 . . . . 38 ARG HG2 . 6864 1 313 . 1 1 38 38 ARG HD2 H 1 3.002 0.01 . 1 . . . . 38 ARG HD1 . 6864 1 314 . 1 1 38 38 ARG HD3 H 1 3.002 0.01 . 1 . . . . 38 ARG HD2 . 6864 1 315 . 1 1 38 38 ARG CA C 13 58.425 0.2 . 1 . . . . 38 ARG CA . 6864 1 316 . 1 1 38 38 ARG CB C 13 29.629 0.2 . 1 . . . . 38 ARG CB . 6864 1 317 . 1 1 38 38 ARG CG C 13 27.084 0.2 . 1 . . . . 38 ARG CG . 6864 1 318 . 1 1 38 38 ARG CD C 13 42.635 0.2 . 1 . . . . 38 ARG CD . 6864 1 319 . 1 1 38 38 ARG N N 15 119.511 0.1 . 1 . . . . 38 ARG N . 6864 1 320 . 1 1 39 39 ALA H H 1 7.663 0.01 . 1 . . . . 39 ALA HN . 6864 1 321 . 1 1 39 39 ALA HA H 1 3.798 0.01 . 1 . . . . 39 ALA HA . 6864 1 322 . 1 1 39 39 ALA HB1 H 1 1.044 0.01 . 1 . . . . 39 ALA HB . 6864 1 323 . 1 1 39 39 ALA HB2 H 1 1.044 0.01 . 1 . . . . 39 ALA HB . 6864 1 324 . 1 1 39 39 ALA HB3 H 1 1.044 0.01 . 1 . . . . 39 ALA HB . 6864 1 325 . 1 1 39 39 ALA CA C 13 54.254 0.2 . 1 . . . . 39 ALA CA . 6864 1 326 . 1 1 39 39 ALA CB C 13 16.771 0.2 . 1 . . . . 39 ALA CB . 6864 1 327 . 1 1 39 39 ALA N N 15 121.148 0.1 . 1 . . . . 39 ALA N . 6864 1 328 . 1 1 40 40 PHE H H 1 7.641 0.01 . 1 . . . . 40 PHE HN . 6864 1 329 . 1 1 40 40 PHE HA H 1 3.915 0.01 . 1 . . . . 40 PHE HA . 6864 1 330 . 1 1 40 40 PHE HB2 H 1 2.458 0.01 . 2 . . . . 40 PHE HB1 . 6864 1 331 . 1 1 40 40 PHE HB3 H 1 2.678 0.01 . 2 . . . . 40 PHE HB2 . 6864 1 332 . 1 1 40 40 PHE HD1 H 1 6.818 0.01 . 1 . . . . 40 PHE HD1 . 6864 1 333 . 1 1 40 40 PHE HD2 H 1 6.818 0.01 . 1 . . . . 40 PHE HD2 . 6864 1 334 . 1 1 40 40 PHE CA C 13 60.670 0.2 . 1 . . . . 40 PHE CA . 6864 1 335 . 1 1 40 40 PHE CB C 13 37.550 0.2 . 1 . . . . 40 PHE CB . 6864 1 336 . 1 1 40 40 PHE CD1 C 13 130.821 0.2 . 1 . . . . 40 PHE CD1 . 6864 1 337 . 1 1 40 40 PHE CD2 C 13 130.821 0.2 . 1 . . . . 40 PHE CD2 . 6864 1 338 . 1 1 40 40 PHE N N 15 112.894 0.1 . 1 . . . . 40 PHE N . 6864 1 339 . 1 1 41 41 ALA H H 1 7.590 0.01 . 1 . . . . 41 ALA HN . 6864 1 340 . 1 1 41 41 ALA HA H 1 4.294 0.01 . 1 . . . . 41 ALA HA . 6864 1 341 . 1 1 41 41 ALA HB1 H 1 1.424 0.01 . 1 . . . . 41 ALA HB . 6864 1 342 . 1 1 41 41 ALA HB2 H 1 1.424 0.01 . 1 . . . . 41 ALA HB . 6864 1 343 . 1 1 41 41 ALA HB3 H 1 1.424 0.01 . 1 . . . . 41 ALA HB . 6864 1 344 . 1 1 41 41 ALA CA C 13 53.212 0.2 . 1 . . . . 41 ALA CA . 6864 1 345 . 1 1 41 41 ALA CB C 13 17.972 0.2 . 1 . . . . 41 ALA CB . 6864 1 346 . 1 1 41 41 ALA N N 15 120.819 0.1 . 1 . . . . 41 ALA N . 6864 1 347 . 1 1 42 42 SER H H 1 7.392 0.01 . 1 . . . . 42 SER HN . 6864 1 348 . 1 1 42 42 SER HA H 1 4.295 0.01 . 1 . . . . 42 SER HA . 6864 1 349 . 1 1 42 42 SER HB2 H 1 3.769 0.01 . 1 . . . . 42 SER HB1 . 6864 1 350 . 1 1 42 42 SER HB3 H 1 3.769 0.01 . 1 . . . . 42 SER HB2 . 6864 1 351 . 1 1 42 42 SER CA C 13 58.101 0.2 . 1 . . . . 42 SER CA . 6864 1 352 . 1 1 42 42 SER CB C 13 63.097 0.2 . 1 . . . . 42 SER CB . 6864 1 353 . 1 1 42 42 SER N N 15 110.833 0.1 . 1 . . . . 42 SER N . 6864 1 354 . 1 1 43 43 VAL H H 1 7.083 0.01 . 1 . . . . 43 VAL HN . 6864 1 355 . 1 1 43 43 VAL HA H 1 4.376 0.01 . 1 . . . . 43 VAL HA . 6864 1 356 . 1 1 43 43 VAL HB H 1 2.056 0.01 . 1 . . . . 43 VAL HB . 6864 1 357 . 1 1 43 43 VAL HG11 H 1 0.830 0.01 . 2 . . . . 43 VAL HG1 . 6864 1 358 . 1 1 43 43 VAL HG12 H 1 0.830 0.01 . 2 . . . . 43 VAL HG1 . 6864 1 359 . 1 1 43 43 VAL HG13 H 1 0.830 0.01 . 2 . . . . 43 VAL HG1 . 6864 1 360 . 1 1 43 43 VAL HG21 H 1 0.740 0.01 . 2 . . . . 43 VAL HG2 . 6864 1 361 . 1 1 43 43 VAL HG22 H 1 0.740 0.01 . 2 . . . . 43 VAL HG2 . 6864 1 362 . 1 1 43 43 VAL HG23 H 1 0.740 0.01 . 2 . . . . 43 VAL HG2 . 6864 1 363 . 1 1 43 43 VAL CA C 13 59.771 0.2 . 1 . . . . 43 VAL CA . 6864 1 364 . 1 1 43 43 VAL CB C 13 32.674 0.2 . 1 . . . . 43 VAL CB . 6864 1 365 . 1 1 43 43 VAL CG1 C 13 18.050 0.2 . 1 . . . . 43 VAL CG1 . 6864 1 366 . 1 1 43 43 VAL CG2 C 13 21.911 0.2 . 1 . . . . 43 VAL CG2 . 6864 1 367 . 1 1 43 43 VAL N N 15 115.102 0.1 . 1 . . . . 43 VAL N . 6864 1 368 . 1 1 44 44 SER H H 1 8.678 0.01 . 1 . . . . 44 SER HN . 6864 1 369 . 1 1 44 44 SER HA H 1 4.502 0.01 . 1 . . . . 44 SER HA . 6864 1 370 . 1 1 44 44 SER HB2 H 1 3.710 0.01 . 2 . . . . 44 SER HB1 . 6864 1 371 . 1 1 44 44 SER HB3 H 1 3.871 0.01 . 2 . . . . 44 SER HB2 . 6864 1 372 . 1 1 44 44 SER CA C 13 57.599 0.2 . 1 . . . . 44 SER CA . 6864 1 373 . 1 1 44 44 SER CB C 13 63.788 0.2 . 1 . . . . 44 SER CB . 6864 1 374 . 1 1 44 44 SER N N 15 115.350 0.1 . 1 . . . . 44 SER N . 6864 1 375 . 1 1 45 45 SER H H 1 7.345 0.01 . 1 . . . . 45 SER HN . 6864 1 376 . 1 1 45 45 SER HA H 1 4.083 0.01 . 1 . . . . 45 SER HA . 6864 1 377 . 1 1 45 45 SER HB2 H 1 3.825 0.01 . 2 . . . . 45 SER HB1 . 6864 1 378 . 1 1 45 45 SER HB3 H 1 3.860 0.01 . 2 . . . . 45 SER HB2 . 6864 1 379 . 1 1 45 45 SER CA C 13 55.684 0.2 . 1 . . . . 45 SER CA . 6864 1 380 . 1 1 45 45 SER CB C 13 65.619 0.2 . 1 . . . . 45 SER CB . 6864 1 381 . 1 1 45 45 SER N N 15 113.486 0.1 . 1 . . . . 45 SER N . 6864 1 382 . 1 1 46 46 ALA H H 1 9.228 0.01 . 1 . . . . 46 ALA HN . 6864 1 383 . 1 1 46 46 ALA HA H 1 3.998 0.01 . 1 . . . . 46 ALA HA . 6864 1 384 . 1 1 46 46 ALA HB1 H 1 1.514 0.01 . 1 . . . . 46 ALA HB . 6864 1 385 . 1 1 46 46 ALA HB2 H 1 1.514 0.01 . 1 . . . . 46 ALA HB . 6864 1 386 . 1 1 46 46 ALA HB3 H 1 1.514 0.01 . 1 . . . . 46 ALA HB . 6864 1 387 . 1 1 46 46 ALA CA C 13 54.673 0.2 . 1 . . . . 46 ALA CA . 6864 1 388 . 1 1 46 46 ALA CB C 13 17.503 0.2 . 1 . . . . 46 ALA CB . 6864 1 389 . 1 1 46 46 ALA N N 15 126.393 0.1 . 1 . . . . 46 ALA N . 6864 1 390 . 1 1 47 47 SER H H 1 8.480 0.01 . 1 . . . . 47 SER HN . 6864 1 391 . 1 1 47 47 SER HA H 1 4.086 0.01 . 1 . . . . 47 SER HA . 6864 1 392 . 1 1 47 47 SER HB2 H 1 3.750 0.01 . 2 . . . . 47 SER HB1 . 6864 1 393 . 1 1 47 47 SER HB3 H 1 3.770 0.01 . 2 . . . . 47 SER HB2 . 6864 1 394 . 1 1 47 47 SER CA C 13 60.350 0.2 . 1 . . . . 47 SER CA . 6864 1 395 . 1 1 47 47 SER CB C 13 61.414 0.2 . 1 . . . . 47 SER CB . 6864 1 396 . 1 1 47 47 SER N N 15 113.356 0.1 . 1 . . . . 47 SER N . 6864 1 397 . 1 1 48 48 ALA H H 1 7.862 0.01 . 1 . . . . 48 ALA HN . 6864 1 398 . 1 1 48 48 ALA HA H 1 4.089 0.01 . 1 . . . . 48 ALA HA . 6864 1 399 . 1 1 48 48 ALA HB1 H 1 1.390 0.01 . 1 . . . . 48 ALA HB . 6864 1 400 . 1 1 48 48 ALA HB2 H 1 1.390 0.01 . 1 . . . . 48 ALA HB . 6864 1 401 . 1 1 48 48 ALA HB3 H 1 1.390 0.01 . 1 . . . . 48 ALA HB . 6864 1 402 . 1 1 48 48 ALA CA C 13 54.038 0.2 . 1 . . . . 48 ALA CA . 6864 1 403 . 1 1 48 48 ALA CB C 13 18.068 0.2 . 1 . . . . 48 ALA CB . 6864 1 404 . 1 1 48 48 ALA N N 15 125.511 0.1 . 1 . . . . 48 ALA N . 6864 1 405 . 1 1 49 49 ALA H H 1 8.085 0.01 . 1 . . . . 49 ALA HN . 6864 1 406 . 1 1 49 49 ALA HA H 1 3.919 0.01 . 1 . . . . 49 ALA HA . 6864 1 407 . 1 1 49 49 ALA HB1 H 1 1.320 0.01 . 1 . . . . 49 ALA HB . 6864 1 408 . 1 1 49 49 ALA HB2 H 1 1.320 0.01 . 1 . . . . 49 ALA HB . 6864 1 409 . 1 1 49 49 ALA HB3 H 1 1.320 0.01 . 1 . . . . 49 ALA HB . 6864 1 410 . 1 1 49 49 ALA CA C 13 54.923 0.2 . 1 . . . . 49 ALA CA . 6864 1 411 . 1 1 49 49 ALA CB C 13 16.433 0.2 . 1 . . . . 49 ALA CB . 6864 1 412 . 1 1 49 49 ALA N N 15 122.309 0.1 . 1 . . . . 49 ALA N . 6864 1 413 . 1 1 50 50 SER H H 1 8.490 0.01 . 1 . . . . 50 SER HN . 6864 1 414 . 1 1 50 50 SER HA H 1 3.950 0.01 . 1 . . . . 50 SER HA . 6864 1 415 . 1 1 50 50 SER HB2 H 1 3.840 0.01 . 2 . . . . 50 SER HB1 . 6864 1 416 . 1 1 50 50 SER HB3 H 1 3.930 0.01 . 2 . . . . 50 SER HB2 . 6864 1 417 . 1 1 50 50 SER CA C 13 62.200 0.2 . 1 . . . . 50 SER CA . 6864 1 418 . 1 1 50 50 SER CB C 13 62.300 0.2 . 1 . . . . 50 SER CB . 6864 1 419 . 1 1 50 50 SER N N 15 114.774 0.1 . 1 . . . . 50 SER N . 6864 1 420 . 1 1 51 51 SER H H 1 7.927 0.01 . 1 . . . . 51 SER HN . 6864 1 421 . 1 1 51 51 SER HA H 1 4.073 0.01 . 1 . . . . 51 SER HA . 6864 1 422 . 1 1 51 51 SER HB2 H 1 3.750 0.01 . 2 . . . . 51 SER HB1 . 6864 1 423 . 1 1 51 51 SER HB3 H 1 3.790 0.01 . 2 . . . . 51 SER HB2 . 6864 1 424 . 1 1 51 51 SER CA C 13 61.015 0.2 . 1 . . . . 51 SER CA . 6864 1 425 . 1 1 51 51 SER CB C 13 61.904 0.2 . 1 . . . . 51 SER CB . 6864 1 426 . 1 1 51 51 SER N N 15 116.769 0.1 . 1 . . . . 51 SER N . 6864 1 427 . 1 1 52 52 LEU H H 1 7.683 0.01 . 1 . . . . 52 LEU HN . 6864 1 428 . 1 1 52 52 LEU HA H 1 3.994 0.01 . 1 . . . . 52 LEU HA . 6864 1 429 . 1 1 52 52 LEU HB2 H 1 1.300 0.01 . 2 . . . . 52 LEU HB1 . 6864 1 430 . 1 1 52 52 LEU HB3 H 1 1.600 0.01 . 2 . . . . 52 LEU HB2 . 6864 1 431 . 1 1 52 52 LEU HD11 H 1 -0.150 0.01 . 2 . . . . 52 LEU HD1 . 6864 1 432 . 1 1 52 52 LEU HD12 H 1 -0.150 0.01 . 2 . . . . 52 LEU HD1 . 6864 1 433 . 1 1 52 52 LEU HD13 H 1 -0.150 0.01 . 2 . . . . 52 LEU HD1 . 6864 1 434 . 1 1 52 52 LEU HD21 H 1 0.506 0.01 . 2 . . . . 52 LEU HD2 . 6864 1 435 . 1 1 52 52 LEU HD22 H 1 0.506 0.01 . 2 . . . . 52 LEU HD2 . 6864 1 436 . 1 1 52 52 LEU HD23 H 1 0.506 0.01 . 2 . . . . 52 LEU HD2 . 6864 1 437 . 1 1 52 52 LEU CA C 13 57.585 0.2 . 1 . . . . 52 LEU CA . 6864 1 438 . 1 1 52 52 LEU CB C 13 40.600 0.2 . 1 . . . . 52 LEU CB . 6864 1 439 . 1 1 52 52 LEU CG C 13 26.513 0.2 . 1 . . . . 52 LEU CG . 6864 1 440 . 1 1 52 52 LEU CD1 C 13 24.589 0.2 . 1 . . . . 52 LEU CD1 . 6864 1 441 . 1 1 52 52 LEU CD2 C 13 22.770 0.2 . 1 . . . . 52 LEU CD2 . 6864 1 442 . 1 1 52 52 LEU N N 15 123.094 0.1 . 1 . . . . 52 LEU N . 6864 1 443 . 1 1 53 53 ALA H H 1 8.247 0.01 . 1 . . . . 53 ALA HN . 6864 1 444 . 1 1 53 53 ALA HA H 1 3.831 0.01 . 1 . . . . 53 ALA HA . 6864 1 445 . 1 1 53 53 ALA HB1 H 1 1.391 0.01 . 1 . . . . 53 ALA HB . 6864 1 446 . 1 1 53 53 ALA HB2 H 1 1.391 0.01 . 1 . . . . 53 ALA HB . 6864 1 447 . 1 1 53 53 ALA HB3 H 1 1.391 0.01 . 1 . . . . 53 ALA HB . 6864 1 448 . 1 1 53 53 ALA CA C 13 54.630 0.2 . 1 . . . . 53 ALA CA . 6864 1 449 . 1 1 53 53 ALA CB C 13 18.368 0.2 . 1 . . . . 53 ALA CB . 6864 1 450 . 1 1 53 53 ALA N N 15 119.335 0.1 . 1 . . . . 53 ALA N . 6864 1 451 . 1 1 54 54 TYR H H 1 8.419 0.01 . 1 . . . . 54 TYR HN . 6864 1 452 . 1 1 54 54 TYR HA H 1 3.840 0.01 . 1 . . . . 54 TYR HA . 6864 1 453 . 1 1 54 54 TYR HB2 H 1 2.870 0.01 . 2 . . . . 54 TYR HB1 . 6864 1 454 . 1 1 54 54 TYR HB3 H 1 3.144 0.01 . 2 . . . . 54 TYR HB2 . 6864 1 455 . 1 1 54 54 TYR HD1 H 1 6.700 0.01 . 1 . . . . 54 TYR HD1 . 6864 1 456 . 1 1 54 54 TYR HD2 H 1 6.700 0.01 . 1 . . . . 54 TYR HD2 . 6864 1 457 . 1 1 54 54 TYR CA C 13 60.659 0.2 . 1 . . . . 54 TYR CA . 6864 1 458 . 1 1 54 54 TYR CB C 13 37.766 0.2 . 1 . . . . 54 TYR CB . 6864 1 459 . 1 1 54 54 TYR CD1 C 13 132.600 0.2 . 1 . . . . 54 TYR CD1 . 6864 1 460 . 1 1 54 54 TYR CD2 C 13 132.600 0.2 . 1 . . . . 54 TYR CD2 . 6864 1 461 . 1 1 54 54 TYR N N 15 117.782 0.1 . 1 . . . . 54 TYR N . 6864 1 462 . 1 1 55 55 ASN H H 1 7.957 0.01 . 1 . . . . 55 ASN HN . 6864 1 463 . 1 1 55 55 ASN HA H 1 4.176 0.01 . 1 . . . . 55 ASN HA . 6864 1 464 . 1 1 55 55 ASN HB2 H 1 2.568 0.01 . 2 . . . . 55 ASN HB1 . 6864 1 465 . 1 1 55 55 ASN HB3 H 1 2.731 0.01 . 2 . . . . 55 ASN HB2 . 6864 1 466 . 1 1 55 55 ASN HD21 H 1 7.365 0.01 . 2 . . . . 55 ASN HD21 . 6864 1 467 . 1 1 55 55 ASN HD22 H 1 6.805 0.01 . 2 . . . . 55 ASN HD22 . 6864 1 468 . 1 1 55 55 ASN CA C 13 55.968 0.2 . 1 . . . . 55 ASN CA . 6864 1 469 . 1 1 55 55 ASN CB C 13 37.400 0.2 . 1 . . . . 55 ASN CB . 6864 1 470 . 1 1 55 55 ASN N N 15 117.159 0.1 . 1 . . . . 55 ASN N . 6864 1 471 . 1 1 55 55 ASN ND2 N 15 112.502 0.1 . 1 . . . . 55 ASN ND2 . 6864 1 472 . 1 1 56 56 ILE H H 1 8.545 0.01 . 1 . . . . 56 ILE HN . 6864 1 473 . 1 1 56 56 ILE HA H 1 4.002 0.01 . 1 . . . . 56 ILE HA . 6864 1 474 . 1 1 56 56 ILE HB H 1 1.665 0.01 . 1 . . . . 56 ILE HB . 6864 1 475 . 1 1 56 56 ILE HG21 H 1 0.610 0.01 . 1 . . . . 56 ILE HG2 . 6864 1 476 . 1 1 56 56 ILE HG22 H 1 0.610 0.01 . 1 . . . . 56 ILE HG2 . 6864 1 477 . 1 1 56 56 ILE HG23 H 1 0.610 0.01 . 1 . . . . 56 ILE HG2 . 6864 1 478 . 1 1 56 56 ILE HD11 H 1 0.510 0.01 . 1 . . . . 56 ILE HD1 . 6864 1 479 . 1 1 56 56 ILE HD12 H 1 0.510 0.01 . 1 . . . . 56 ILE HD1 . 6864 1 480 . 1 1 56 56 ILE HD13 H 1 0.510 0.01 . 1 . . . . 56 ILE HD1 . 6864 1 481 . 1 1 56 56 ILE CA C 13 63.950 0.2 . 1 . . . . 56 ILE CA . 6864 1 482 . 1 1 56 56 ILE CB C 13 37.000 0.2 . 1 . . . . 56 ILE CB . 6864 1 483 . 1 1 56 56 ILE CG2 C 13 16.393 0.2 . 1 . . . . 56 ILE CG2 . 6864 1 484 . 1 1 56 56 ILE CD1 C 13 12.736 0.2 . 1 . . . . 56 ILE CD1 . 6864 1 485 . 1 1 56 56 ILE N N 15 116.170 0.1 . 1 . . . . 56 ILE N . 6864 1 486 . 1 1 57 57 GLY H H 1 8.442 0.01 . 1 . . . . 57 GLY HN . 6864 1 487 . 1 1 57 57 GLY HA2 H 1 3.314 0.01 . 1 . . . . 57 GLY HA1 . 6864 1 488 . 1 1 57 57 GLY HA3 H 1 3.314 0.01 . 1 . . . . 57 GLY HA2 . 6864 1 489 . 1 1 57 57 GLY CA C 13 46.991 0.2 . 1 . . . . 57 GLY CA . 6864 1 490 . 1 1 57 57 GLY N N 15 111.357 0.1 . 1 . . . . 57 GLY N . 6864 1 491 . 1 1 58 58 LEU H H 1 8.413 0.01 . 1 . . . . 58 LEU HN . 6864 1 492 . 1 1 58 58 LEU HA H 1 3.587 0.01 . 1 . . . . 58 LEU HA . 6864 1 493 . 1 1 58 58 LEU HB2 H 1 1.036 0.01 . 2 . . . . 58 LEU HB1 . 6864 1 494 . 1 1 58 58 LEU HB3 H 1 1.536 0.01 . 2 . . . . 58 LEU HB2 . 6864 1 495 . 1 1 58 58 LEU HG H 1 1.168 0.01 . 1 . . . . 58 LEU HG . 6864 1 496 . 1 1 58 58 LEU HD11 H 1 0.649 0.01 . 2 . . . . 58 LEU HD1 . 6864 1 497 . 1 1 58 58 LEU HD12 H 1 0.649 0.01 . 2 . . . . 58 LEU HD1 . 6864 1 498 . 1 1 58 58 LEU HD13 H 1 0.649 0.01 . 2 . . . . 58 LEU HD1 . 6864 1 499 . 1 1 58 58 LEU HD21 H 1 0.521 0.01 . 2 . . . . 58 LEU HD2 . 6864 1 500 . 1 1 58 58 LEU HD22 H 1 0.521 0.01 . 2 . . . . 58 LEU HD2 . 6864 1 501 . 1 1 58 58 LEU HD23 H 1 0.521 0.01 . 2 . . . . 58 LEU HD2 . 6864 1 502 . 1 1 58 58 LEU CA C 13 57.283 0.2 . 1 . . . . 58 LEU CA . 6864 1 503 . 1 1 58 58 LEU CB C 13 41.223 0.2 . 1 . . . . 58 LEU CB . 6864 1 504 . 1 1 58 58 LEU CG C 13 25.500 0.2 . 1 . . . . 58 LEU CG . 6864 1 505 . 1 1 58 58 LEU CD1 C 13 24.469 0.2 . 1 . . . . 58 LEU CD1 . 6864 1 506 . 1 1 58 58 LEU CD2 C 13 23.449 0.2 . 1 . . . . 58 LEU CD2 . 6864 1 507 . 1 1 58 58 LEU N N 15 122.711 0.1 . 1 . . . . 58 LEU N . 6864 1 508 . 1 1 59 59 SER H H 1 7.106 0.01 . 1 . . . . 59 SER HN . 6864 1 509 . 1 1 59 59 SER HA H 1 3.975 0.01 . 1 . . . . 59 SER HA . 6864 1 510 . 1 1 59 59 SER HB2 H 1 3.810 0.01 . 2 . . . . 59 SER HB1 . 6864 1 511 . 1 1 59 59 SER HB3 H 1 3.830 0.01 . 2 . . . . 59 SER HB2 . 6864 1 512 . 1 1 59 59 SER CA C 13 60.421 0.2 . 1 . . . . 59 SER CA . 6864 1 513 . 1 1 59 59 SER CB C 13 62.029 0.2 . 1 . . . . 59 SER CB . 6864 1 514 . 1 1 59 59 SER N N 15 111.352 0.1 . 1 . . . . 59 SER N . 6864 1 515 . 1 1 60 60 ALA H H 1 8.267 0.01 . 1 . . . . 60 ALA HN . 6864 1 516 . 1 1 60 60 ALA HA H 1 3.821 0.01 . 1 . . . . 60 ALA HA . 6864 1 517 . 1 1 60 60 ALA HB1 H 1 1.039 0.01 . 1 . . . . 60 ALA HB . 6864 1 518 . 1 1 60 60 ALA HB2 H 1 1.039 0.01 . 1 . . . . 60 ALA HB . 6864 1 519 . 1 1 60 60 ALA HB3 H 1 1.039 0.01 . 1 . . . . 60 ALA HB . 6864 1 520 . 1 1 60 60 ALA CA C 13 54.365 0.2 . 1 . . . . 60 ALA CA . 6864 1 521 . 1 1 60 60 ALA CB C 13 17.479 0.2 . 1 . . . . 60 ALA CB . 6864 1 522 . 1 1 60 60 ALA N N 15 123.721 0.1 . 1 . . . . 60 ALA N . 6864 1 523 . 1 1 61 61 ALA H H 1 8.557 0.01 . 1 . . . . 61 ALA HN . 6864 1 524 . 1 1 61 61 ALA HA H 1 3.722 0.01 . 1 . . . . 61 ALA HA . 6864 1 525 . 1 1 61 61 ALA HB1 H 1 1.399 0.01 . 1 . . . . 61 ALA HB . 6864 1 526 . 1 1 61 61 ALA HB2 H 1 1.399 0.01 . 1 . . . . 61 ALA HB . 6864 1 527 . 1 1 61 61 ALA HB3 H 1 1.399 0.01 . 1 . . . . 61 ALA HB . 6864 1 528 . 1 1 61 61 ALA CA C 13 54.700 0.2 . 1 . . . . 61 ALA CA . 6864 1 529 . 1 1 61 61 ALA CB C 13 17.980 0.2 . 1 . . . . 61 ALA CB . 6864 1 530 . 1 1 61 61 ALA N N 15 119.042 0.1 . 1 . . . . 61 ALA N . 6864 1 531 . 1 1 62 62 ARG H H 1 7.836 0.01 . 1 . . . . 62 ARG HN . 6864 1 532 . 1 1 62 62 ARG HA H 1 4.159 0.01 . 1 . . . . 62 ARG HA . 6864 1 533 . 1 1 62 62 ARG HB2 H 1 1.734 0.01 . 2 . . . . 62 ARG HB1 . 6864 1 534 . 1 1 62 62 ARG HB3 H 1 1.780 0.01 . 2 . . . . 62 ARG HB2 . 6864 1 535 . 1 1 62 62 ARG HG2 H 1 1.630 0.01 . 2 . . . . 62 ARG HG1 . 6864 1 536 . 1 1 62 62 ARG HG3 H 1 1.807 0.01 . 2 . . . . 62 ARG HG2 . 6864 1 537 . 1 1 62 62 ARG CA C 13 58.510 0.2 . 1 . . . . 62 ARG CA . 6864 1 538 . 1 1 62 62 ARG CB C 13 28.891 0.2 . 1 . . . . 62 ARG CB . 6864 1 539 . 1 1 62 62 ARG CG C 13 27.700 0.2 . 1 . . . . 62 ARG CG . 6864 1 540 . 1 1 62 62 ARG CD C 13 43.029 0.2 . 1 . . . . 62 ARG CD . 6864 1 541 . 1 1 62 62 ARG N N 15 116.926 0.1 . 1 . . . . 62 ARG N . 6864 1 542 . 1 1 63 63 SER H H 1 8.044 0.01 . 1 . . . . 63 SER HN . 6864 1 543 . 1 1 63 63 SER HA H 1 4.074 0.01 . 1 . . . . 63 SER HA . 6864 1 544 . 1 1 63 63 SER HB2 H 1 3.825 0.01 . 2 . . . . 63 SER HB1 . 6864 1 545 . 1 1 63 63 SER HB3 H 1 3.845 0.01 . 2 . . . . 63 SER HB2 . 6864 1 546 . 1 1 63 63 SER CA C 13 60.766 0.2 . 1 . . . . 63 SER CA . 6864 1 547 . 1 1 63 63 SER CB C 13 62.106 0.2 . 1 . . . . 63 SER CB . 6864 1 548 . 1 1 63 63 SER N N 15 117.069 0.1 . 1 . . . . 63 SER N . 6864 1 549 . 1 1 64 64 LEU H H 1 7.577 0.01 . 1 . . . . 64 LEU HN . 6864 1 550 . 1 1 64 64 LEU HA H 1 4.148 0.01 . 1 . . . . 64 LEU HA . 6864 1 551 . 1 1 64 64 LEU HB2 H 1 1.570 0.01 . 2 . . . . 64 LEU HB1 . 6864 1 552 . 1 1 64 64 LEU HB3 H 1 1.590 0.01 . 2 . . . . 64 LEU HB2 . 6864 1 553 . 1 1 64 64 LEU HG H 1 1.650 0.01 . 1 . . . . 64 LEU HG . 6864 1 554 . 1 1 64 64 LEU HD11 H 1 0.710 0.01 . 2 . . . . 64 LEU HD1 . 6864 1 555 . 1 1 64 64 LEU HD12 H 1 0.710 0.01 . 2 . . . . 64 LEU HD1 . 6864 1 556 . 1 1 64 64 LEU HD13 H 1 0.710 0.01 . 2 . . . . 64 LEU HD1 . 6864 1 557 . 1 1 64 64 LEU HD21 H 1 0.730 0.01 . 2 . . . . 64 LEU HD2 . 6864 1 558 . 1 1 64 64 LEU HD22 H 1 0.730 0.01 . 2 . . . . 64 LEU HD2 . 6864 1 559 . 1 1 64 64 LEU HD23 H 1 0.730 0.01 . 2 . . . . 64 LEU HD2 . 6864 1 560 . 1 1 64 64 LEU CA C 13 54.438 0.2 . 1 . . . . 64 LEU CA . 6864 1 561 . 1 1 64 64 LEU CB C 13 42.500 0.2 . 1 . . . . 64 LEU CB . 6864 1 562 . 1 1 64 64 LEU CG C 13 26.697 0.2 . 1 . . . . 64 LEU CG . 6864 1 563 . 1 1 64 64 LEU CD1 C 13 24.529 0.2 . 1 . . . . 64 LEU CD1 . 6864 1 564 . 1 1 64 64 LEU CD2 C 13 22.417 0.2 . 1 . . . . 64 LEU CD2 . 6864 1 565 . 1 1 64 64 LEU N N 15 118.768 0.1 . 1 . . . . 64 LEU N . 6864 1 566 . 1 1 65 65 GLY H H 1 7.656 0.01 . 1 . . . . 65 GLY HN . 6864 1 567 . 1 1 65 65 GLY HA2 H 1 3.702 0.01 . 2 . . . . 65 GLY HA1 . 6864 1 568 . 1 1 65 65 GLY HA3 H 1 3.835 0.01 . 2 . . . . 65 GLY HA2 . 6864 1 569 . 1 1 65 65 GLY CA C 13 45.521 0.2 . 1 . . . . 65 GLY CA . 6864 1 570 . 1 1 65 65 GLY N N 15 108.578 0.1 . 1 . . . . 65 GLY N . 6864 1 571 . 1 1 66 66 ILE H H 1 7.815 0.01 . 1 . . . . 66 ILE HN . 6864 1 572 . 1 1 66 66 ILE HA H 1 3.812 0.01 . 1 . . . . 66 ILE HA . 6864 1 573 . 1 1 66 66 ILE HB H 1 1.641 0.01 . 1 . . . . 66 ILE HB . 6864 1 574 . 1 1 66 66 ILE HG12 H 1 1.156 0.01 . 1 . . . . 66 ILE HG11 . 6864 1 575 . 1 1 66 66 ILE HG13 H 1 1.285 0.01 . 1 . . . . 66 ILE HG12 . 6864 1 576 . 1 1 66 66 ILE HG21 H 1 0.754 0.01 . 1 . . . . 66 ILE HG2 . 6864 1 577 . 1 1 66 66 ILE HG22 H 1 0.754 0.01 . 1 . . . . 66 ILE HG2 . 6864 1 578 . 1 1 66 66 ILE HG23 H 1 0.754 0.01 . 1 . . . . 66 ILE HG2 . 6864 1 579 . 1 1 66 66 ILE HD11 H 1 0.680 0.01 . 1 . . . . 66 ILE HD1 . 6864 1 580 . 1 1 66 66 ILE HD12 H 1 0.680 0.01 . 1 . . . . 66 ILE HD1 . 6864 1 581 . 1 1 66 66 ILE HD13 H 1 0.680 0.01 . 1 . . . . 66 ILE HD1 . 6864 1 582 . 1 1 66 66 ILE CA C 13 59.590 0.2 . 1 . . . . 66 ILE CA . 6864 1 583 . 1 1 66 66 ILE CB C 13 37.134 0.2 . 1 . . . . 66 ILE CB . 6864 1 584 . 1 1 66 66 ILE CG1 C 13 26.664 0.2 . 1 . . . . 66 ILE CG1 . 6864 1 585 . 1 1 66 66 ILE CG2 C 13 15.987 0.2 . 1 . . . . 66 ILE CG2 . 6864 1 586 . 1 1 66 66 ILE CD1 C 13 11.613 0.2 . 1 . . . . 66 ILE CD1 . 6864 1 587 . 1 1 66 66 ILE N N 15 120.327 0.1 . 1 . . . . 66 ILE N . 6864 1 588 . 1 1 67 67 ALA H H 1 8.576 0.01 . 1 . . . . 67 ALA HN . 6864 1 589 . 1 1 67 67 ALA HA H 1 4.019 0.01 . 1 . . . . 67 ALA HA . 6864 1 590 . 1 1 67 67 ALA HB1 H 1 1.328 0.01 . 1 . . . . 67 ALA HB . 6864 1 591 . 1 1 67 67 ALA HB2 H 1 1.328 0.01 . 1 . . . . 67 ALA HB . 6864 1 592 . 1 1 67 67 ALA HB3 H 1 1.328 0.01 . 1 . . . . 67 ALA HB . 6864 1 593 . 1 1 67 67 ALA CA C 13 53.417 0.2 . 1 . . . . 67 ALA CA . 6864 1 594 . 1 1 67 67 ALA CB C 13 17.993 0.2 . 1 . . . . 67 ALA CB . 6864 1 595 . 1 1 67 67 ALA N N 15 131.201 0.1 . 1 . . . . 67 ALA N . 6864 1 596 . 1 1 68 68 SER H H 1 8.198 0.01 . 1 . . . . 68 SER HN . 6864 1 597 . 1 1 68 68 SER HA H 1 4.016 0.01 . 1 . . . . 68 SER HA . 6864 1 598 . 1 1 68 68 SER HB2 H 1 3.930 0.01 . 2 . . . . 68 SER HB1 . 6864 1 599 . 1 1 68 68 SER HB3 H 1 3.931 0.01 . 2 . . . . 68 SER HB2 . 6864 1 600 . 1 1 68 68 SER CA C 13 55.717 0.2 . 1 . . . . 68 SER CA . 6864 1 601 . 1 1 68 68 SER CB C 13 60.760 0.2 . 1 . . . . 68 SER CB . 6864 1 602 . 1 1 68 68 SER N N 15 115.236 0.1 . 1 . . . . 68 SER N . 6864 1 603 . 1 1 69 69 ASP H H 1 8.169 0.01 . 1 . . . . 69 ASP HN . 6864 1 604 . 1 1 69 69 ASP HA H 1 3.486 0.01 . 1 . . . . 69 ASP HA . 6864 1 605 . 1 1 69 69 ASP HB2 H 1 2.428 0.01 . 2 . . . . 69 ASP HB1 . 6864 1 606 . 1 1 69 69 ASP HB3 H 1 2.717 0.01 . 2 . . . . 69 ASP HB2 . 6864 1 607 . 1 1 69 69 ASP CA C 13 56.488 0.2 . 1 . . . . 69 ASP CA . 6864 1 608 . 1 1 69 69 ASP CB C 13 38.443 0.2 . 1 . . . . 69 ASP CB . 6864 1 609 . 1 1 69 69 ASP N N 15 122.697 0.1 . 1 . . . . 69 ASP N . 6864 1 610 . 1 1 70 70 THR H H 1 8.696 0.01 . 1 . . . . 70 THR HN . 6864 1 611 . 1 1 70 70 THR HA H 1 3.607 0.01 . 1 . . . . 70 THR HA . 6864 1 612 . 1 1 70 70 THR HB H 1 4.212 0.01 . 1 . . . . 70 THR HB . 6864 1 613 . 1 1 70 70 THR HG21 H 1 1.160 0.01 . 1 . . . . 70 THR HG2 . 6864 1 614 . 1 1 70 70 THR HG22 H 1 1.160 0.01 . 1 . . . . 70 THR HG2 . 6864 1 615 . 1 1 70 70 THR HG23 H 1 1.160 0.01 . 1 . . . . 70 THR HG2 . 6864 1 616 . 1 1 70 70 THR CA C 13 63.952 0.2 . 1 . . . . 70 THR CA . 6864 1 617 . 1 1 70 70 THR CB C 13 67.392 0.2 . 1 . . . . 70 THR CB . 6864 1 618 . 1 1 70 70 THR CG2 C 13 19.200 0.2 . 1 . . . . 70 THR CG2 . 6864 1 619 . 1 1 70 70 THR N N 15 113.921 0.1 . 1 . . . . 70 THR N . 6864 1 620 . 1 1 71 71 ALA H H 1 7.705 0.01 . 1 . . . . 71 ALA HN . 6864 1 621 . 1 1 71 71 ALA HA H 1 4.100 0.01 . 1 . . . . 71 ALA HA . 6864 1 622 . 1 1 71 71 ALA HB1 H 1 1.457 0.01 . 1 . . . . 71 ALA HB . 6864 1 623 . 1 1 71 71 ALA HB2 H 1 1.457 0.01 . 1 . . . . 71 ALA HB . 6864 1 624 . 1 1 71 71 ALA HB3 H 1 1.457 0.01 . 1 . . . . 71 ALA HB . 6864 1 625 . 1 1 71 71 ALA CA C 13 53.759 0.2 . 1 . . . . 71 ALA CA . 6864 1 626 . 1 1 71 71 ALA CB C 13 17.522 0.2 . 1 . . . . 71 ALA CB . 6864 1 627 . 1 1 71 71 ALA N N 15 126.923 0.1 . 1 . . . . 71 ALA N . 6864 1 628 . 1 1 72 72 LEU H H 1 7.248 0.01 . 1 . . . . 72 LEU HN . 6864 1 629 . 1 1 72 72 LEU HA H 1 2.703 0.01 . 1 . . . . 72 LEU HA . 6864 1 630 . 1 1 72 72 LEU HB2 H 1 1.360 0.01 . 2 . . . . 72 LEU HB1 . 6864 1 631 . 1 1 72 72 LEU HG H 1 1.090 0.01 . 1 . . . . 72 LEU HG . 6864 1 632 . 1 1 72 72 LEU HD11 H 1 0.666 0.01 . 2 . . . . 72 LEU HD1 . 6864 1 633 . 1 1 72 72 LEU HD12 H 1 0.666 0.01 . 2 . . . . 72 LEU HD1 . 6864 1 634 . 1 1 72 72 LEU HD13 H 1 0.666 0.01 . 2 . . . . 72 LEU HD1 . 6864 1 635 . 1 1 72 72 LEU HD21 H 1 0.500 0.01 . 2 . . . . 72 LEU HD2 . 6864 1 636 . 1 1 72 72 LEU HD22 H 1 0.500 0.01 . 2 . . . . 72 LEU HD2 . 6864 1 637 . 1 1 72 72 LEU HD23 H 1 0.500 0.01 . 2 . . . . 72 LEU HD2 . 6864 1 638 . 1 1 72 72 LEU CA C 13 56.914 0.2 . 1 . . . . 72 LEU CA . 6864 1 639 . 1 1 72 72 LEU CB C 13 38.816 0.2 . 1 . . . . 72 LEU CB . 6864 1 640 . 1 1 72 72 LEU CG C 13 26.752 0.2 . 1 . . . . 72 LEU CG . 6864 1 641 . 1 1 72 72 LEU CD1 C 13 24.692 0.2 . 1 . . . . 72 LEU CD1 . 6864 1 642 . 1 1 72 72 LEU CD2 C 13 22.428 0.2 . 1 . . . . 72 LEU CD2 . 6864 1 643 . 1 1 72 72 LEU N N 15 122.289 0.1 . 1 . . . . 72 LEU N . 6864 1 644 . 1 1 73 73 ALA H H 1 7.878 0.01 . 1 . . . . 73 ALA HN . 6864 1 645 . 1 1 73 73 ALA HA H 1 3.337 0.01 . 1 . . . . 73 ALA HA . 6864 1 646 . 1 1 73 73 ALA HB1 H 1 0.566 0.01 . 1 . . . . 73 ALA HB . 6864 1 647 . 1 1 73 73 ALA HB2 H 1 0.566 0.01 . 1 . . . . 73 ALA HB . 6864 1 648 . 1 1 73 73 ALA HB3 H 1 0.566 0.01 . 1 . . . . 73 ALA HB . 6864 1 649 . 1 1 73 73 ALA CA C 13 55.565 0.2 . 1 . . . . 73 ALA CA . 6864 1 650 . 1 1 73 73 ALA CB C 13 17.139 0.2 . 1 . . . . 73 ALA CB . 6864 1 651 . 1 1 73 73 ALA N N 15 121.808 0.1 . 1 . . . . 73 ALA N . 6864 1 652 . 1 1 74 74 GLY H H 1 8.234 0.01 . 1 . . . . 74 GLY HN . 6864 1 653 . 1 1 74 74 GLY HA2 H 1 3.838 0.01 . 2 . . . . 74 GLY HA1 . 6864 1 654 . 1 1 74 74 GLY HA3 H 1 3.937 0.01 . 2 . . . . 74 GLY HA2 . 6864 1 655 . 1 1 74 74 GLY CA C 13 46.092 0.2 . 1 . . . . 74 GLY CA . 6864 1 656 . 1 1 74 74 GLY N N 15 104.343 0.1 . 1 . . . . 74 GLY N . 6864 1 657 . 1 1 75 75 ALA H H 1 7.683 0.01 . 1 . . . . 75 ALA HN . 6864 1 658 . 1 1 75 75 ALA HA H 1 4.115 0.01 . 1 . . . . 75 ALA HA . 6864 1 659 . 1 1 75 75 ALA HB1 H 1 1.316 0.01 . 1 . . . . 75 ALA HB . 6864 1 660 . 1 1 75 75 ALA HB2 H 1 1.316 0.01 . 1 . . . . 75 ALA HB . 6864 1 661 . 1 1 75 75 ALA HB3 H 1 1.316 0.01 . 1 . . . . 75 ALA HB . 6864 1 662 . 1 1 75 75 ALA CA C 13 54.128 0.2 . 1 . . . . 75 ALA CA . 6864 1 663 . 1 1 75 75 ALA CB C 13 16.211 0.2 . 1 . . . . 75 ALA CB . 6864 1 664 . 1 1 75 75 ALA N N 15 125.532 0.1 . 1 . . . . 75 ALA N . 6864 1 665 . 1 1 76 76 LEU H H 1 8.002 0.01 . 1 . . . . 76 LEU HN . 6864 1 666 . 1 1 76 76 LEU HA H 1 3.758 0.01 . 1 . . . . 76 LEU HA . 6864 1 667 . 1 1 76 76 LEU HB2 H 1 1.192 0.01 . 2 . . . . 76 LEU HB1 . 6864 1 668 . 1 1 76 76 LEU HB3 H 1 1.901 0.01 . 2 . . . . 76 LEU HB2 . 6864 1 669 . 1 1 76 76 LEU HG H 1 1.880 0.01 . 1 . . . . 76 LEU HG . 6864 1 670 . 1 1 76 76 LEU HD11 H 1 0.801 0.01 . 2 . . . . 76 LEU HD1 . 6864 1 671 . 1 1 76 76 LEU HD12 H 1 0.801 0.01 . 2 . . . . 76 LEU HD1 . 6864 1 672 . 1 1 76 76 LEU HD13 H 1 0.801 0.01 . 2 . . . . 76 LEU HD1 . 6864 1 673 . 1 1 76 76 LEU HD21 H 1 0.797 0.01 . 2 . . . . 76 LEU HD2 . 6864 1 674 . 1 1 76 76 LEU HD22 H 1 0.797 0.01 . 2 . . . . 76 LEU HD2 . 6864 1 675 . 1 1 76 76 LEU HD23 H 1 0.797 0.01 . 2 . . . . 76 LEU HD2 . 6864 1 676 . 1 1 76 76 LEU CA C 13 57.436 0.2 . 1 . . . . 76 LEU CA . 6864 1 677 . 1 1 76 76 LEU CB C 13 39.921 0.2 . 1 . . . . 76 LEU CB . 6864 1 678 . 1 1 76 76 LEU CG C 13 26.325 0.2 . 1 . . . . 76 LEU CG . 6864 1 679 . 1 1 76 76 LEU CD1 C 13 24.478 0.2 . 1 . . . . 76 LEU CD1 . 6864 1 680 . 1 1 76 76 LEU CD2 C 13 23.348 0.2 . 1 . . . . 76 LEU CD2 . 6864 1 681 . 1 1 76 76 LEU N N 15 118.505 0.1 . 1 . . . . 76 LEU N . 6864 1 682 . 1 1 77 77 ALA H H 1 8.344 0.01 . 1 . . . . 77 ALA HN . 6864 1 683 . 1 1 77 77 ALA HA H 1 4.025 0.01 . 1 . . . . 77 ALA HA . 6864 1 684 . 1 1 77 77 ALA HB1 H 1 1.587 0.01 . 1 . . . . 77 ALA HB . 6864 1 685 . 1 1 77 77 ALA HB2 H 1 1.587 0.01 . 1 . . . . 77 ALA HB . 6864 1 686 . 1 1 77 77 ALA HB3 H 1 1.587 0.01 . 1 . . . . 77 ALA HB . 6864 1 687 . 1 1 77 77 ALA CA C 13 55.098 0.2 . 1 . . . . 77 ALA CA . 6864 1 688 . 1 1 77 77 ALA CB C 13 19.050 0.2 . 1 . . . . 77 ALA CB . 6864 1 689 . 1 1 77 77 ALA N N 15 121.801 0.1 . 1 . . . . 77 ALA N . 6864 1 690 . 1 1 78 78 GLN H H 1 8.173 0.01 . 1 . . . . 78 GLN HN . 6864 1 691 . 1 1 78 78 GLN HA H 1 3.924 0.01 . 1 . . . . 78 GLN HA . 6864 1 692 . 1 1 78 78 GLN HB2 H 1 2.000 0.01 . 2 . . . . 78 GLN HB1 . 6864 1 693 . 1 1 78 78 GLN HB3 H 1 2.020 0.01 . 2 . . . . 78 GLN HB2 . 6864 1 694 . 1 1 78 78 GLN HG2 H 1 2.248 0.01 . 2 . . . . 78 GLN HG1 . 6864 1 695 . 1 1 78 78 GLN HG3 H 1 2.353 0.01 . 2 . . . . 78 GLN HG2 . 6864 1 696 . 1 1 78 78 GLN HE21 H 1 7.350 0.01 . 2 . . . . 78 GLN HE21 . 6864 1 697 . 1 1 78 78 GLN HE22 H 1 6.732 0.01 . 2 . . . . 78 GLN HE22 . 6864 1 698 . 1 1 78 78 GLN CA C 13 57.739 0.2 . 1 . . . . 78 GLN CA . 6864 1 699 . 1 1 78 78 GLN CB C 13 27.793 0.2 . 1 . . . . 78 GLN CB . 6864 1 700 . 1 1 78 78 GLN CG C 13 33.049 0.2 . 1 . . . . 78 GLN CG . 6864 1 701 . 1 1 78 78 GLN N N 15 118.110 0.1 . 1 . . . . 78 GLN N . 6864 1 702 . 1 1 78 78 GLN NE2 N 15 112.000 0.1 . 1 . . . . 78 GLN NE2 . 6864 1 703 . 1 1 79 79 ALA H H 1 7.504 0.01 . 1 . . . . 79 ALA HN . 6864 1 704 . 1 1 79 79 ALA HA H 1 4.041 0.01 . 1 . . . . 79 ALA HA . 6864 1 705 . 1 1 79 79 ALA HB1 H 1 1.326 0.01 . 1 . . . . 79 ALA HB . 6864 1 706 . 1 1 79 79 ALA HB2 H 1 1.326 0.01 . 1 . . . . 79 ALA HB . 6864 1 707 . 1 1 79 79 ALA HB3 H 1 1.326 0.01 . 1 . . . . 79 ALA HB . 6864 1 708 . 1 1 79 79 ALA CA C 13 53.972 0.2 . 1 . . . . 79 ALA CA . 6864 1 709 . 1 1 79 79 ALA CB C 13 18.366 0.2 . 1 . . . . 79 ALA CB . 6864 1 710 . 1 1 79 79 ALA N N 15 122.012 0.1 . 1 . . . . 79 ALA N . 6864 1 711 . 1 1 80 80 VAL H H 1 8.231 0.01 . 1 . . . . 80 VAL HN . 6864 1 712 . 1 1 80 80 VAL HA H 1 3.561 0.01 . 1 . . . . 80 VAL HA . 6864 1 713 . 1 1 80 80 VAL HB H 1 1.968 0.01 . 1 . . . . 80 VAL HB . 6864 1 714 . 1 1 80 80 VAL HG11 H 1 0.784 0.01 . 2 . . . . 80 VAL HG1 . 6864 1 715 . 1 1 80 80 VAL HG12 H 1 0.784 0.01 . 2 . . . . 80 VAL HG1 . 6864 1 716 . 1 1 80 80 VAL HG13 H 1 0.784 0.01 . 2 . . . . 80 VAL HG1 . 6864 1 717 . 1 1 80 80 VAL HG21 H 1 0.888 0.01 . 2 . . . . 80 VAL HG2 . 6864 1 718 . 1 1 80 80 VAL HG22 H 1 0.888 0.01 . 2 . . . . 80 VAL HG2 . 6864 1 719 . 1 1 80 80 VAL HG23 H 1 0.888 0.01 . 2 . . . . 80 VAL HG2 . 6864 1 720 . 1 1 80 80 VAL CA C 13 65.827 0.2 . 1 . . . . 80 VAL CA . 6864 1 721 . 1 1 80 80 VAL CB C 13 30.662 0.2 . 1 . . . . 80 VAL CB . 6864 1 722 . 1 1 80 80 VAL CG1 C 13 21.102 0.2 . 1 . . . . 80 VAL CG1 . 6864 1 723 . 1 1 80 80 VAL CG2 C 13 23.183 0.2 . 1 . . . . 80 VAL CG2 . 6864 1 724 . 1 1 80 80 VAL N N 15 116.657 0.1 . 1 . . . . 80 VAL N . 6864 1 725 . 1 1 81 81 GLY H H 1 8.236 0.01 . 1 . . . . 81 GLY HN . 6864 1 726 . 1 1 81 81 GLY HA2 H 1 3.656 0.01 . 2 . . . . 81 GLY HA1 . 6864 1 727 . 1 1 81 81 GLY HA3 H 1 3.780 0.01 . 2 . . . . 81 GLY HA2 . 6864 1 728 . 1 1 81 81 GLY CA C 13 46.436 0.2 . 1 . . . . 81 GLY CA . 6864 1 729 . 1 1 81 81 GLY N N 15 108.784 0.1 . 1 . . . . 81 GLY N . 6864 1 730 . 1 1 82 82 GLY H H 1 7.317 0.01 . 1 . . . . 82 GLY HN . 6864 1 731 . 1 1 82 82 GLY HA2 H 1 3.648 0.01 . 2 . . . . 82 GLY HA1 . 6864 1 732 . 1 1 82 82 GLY HA3 H 1 3.906 0.01 . 2 . . . . 82 GLY HA2 . 6864 1 733 . 1 1 82 82 GLY CA C 13 44.877 0.2 . 1 . . . . 82 GLY CA . 6864 1 734 . 1 1 82 82 GLY N N 15 105.087 0.1 . 1 . . . . 82 GLY N . 6864 1 735 . 1 1 83 83 VAL H H 1 7.154 0.01 . 1 . . . . 83 VAL HN . 6864 1 736 . 1 1 83 83 VAL HA H 1 3.565 0.01 . 1 . . . . 83 VAL HA . 6864 1 737 . 1 1 83 83 VAL HB H 1 2.040 0.01 . 1 . . . . 83 VAL HB . 6864 1 738 . 1 1 83 83 VAL HG11 H 1 0.194 0.01 . 2 . . . . 83 VAL HG1 . 6864 1 739 . 1 1 83 83 VAL HG12 H 1 0.194 0.01 . 2 . . . . 83 VAL HG1 . 6864 1 740 . 1 1 83 83 VAL HG13 H 1 0.194 0.01 . 2 . . . . 83 VAL HG1 . 6864 1 741 . 1 1 83 83 VAL HG21 H 1 0.686 0.01 . 2 . . . . 83 VAL HG2 . 6864 1 742 . 1 1 83 83 VAL HG22 H 1 0.686 0.01 . 2 . . . . 83 VAL HG2 . 6864 1 743 . 1 1 83 83 VAL HG23 H 1 0.686 0.01 . 2 . . . . 83 VAL HG2 . 6864 1 744 . 1 1 83 83 VAL CA C 13 63.655 0.2 . 1 . . . . 83 VAL CA . 6864 1 745 . 1 1 83 83 VAL CB C 13 31.084 0.2 . 1 . . . . 83 VAL CB . 6864 1 746 . 1 1 83 83 VAL CG1 C 13 21.900 0.2 . 1 . . . . 83 VAL CG1 . 6864 1 747 . 1 1 83 83 VAL CG2 C 13 21.800 0.2 . 1 . . . . 83 VAL CG2 . 6864 1 748 . 1 1 83 83 VAL N N 15 121.681 0.1 . 1 . . . . 83 VAL N . 6864 1 749 . 1 1 84 84 GLY H H 1 7.778 0.01 . 1 . . . . 84 GLY HN . 6864 1 750 . 1 1 84 84 GLY HA2 H 1 3.536 0.01 . 2 . . . . 84 GLY HA1 . 6864 1 751 . 1 1 84 84 GLY HA3 H 1 4.101 0.01 . 2 . . . . 84 GLY HA2 . 6864 1 752 . 1 1 84 84 GLY CA C 13 43.198 0.2 . 1 . . . . 84 GLY CA . 6864 1 753 . 1 1 84 84 GLY N N 15 107.346 0.1 . 1 . . . . 84 GLY N . 6864 1 754 . 1 1 85 85 ALA H H 1 8.647 0.01 . 1 . . . . 85 ALA HN . 6864 1 755 . 1 1 85 85 ALA HA H 1 4.170 0.01 . 1 . . . . 85 ALA HA . 6864 1 756 . 1 1 85 85 ALA HB1 H 1 1.143 0.01 . 1 . . . . 85 ALA HB . 6864 1 757 . 1 1 85 85 ALA HB2 H 1 1.143 0.01 . 1 . . . . 85 ALA HB . 6864 1 758 . 1 1 85 85 ALA HB3 H 1 1.143 0.01 . 1 . . . . 85 ALA HB . 6864 1 759 . 1 1 85 85 ALA CA C 13 51.242 0.2 . 1 . . . . 85 ALA CA . 6864 1 760 . 1 1 85 85 ALA CB C 13 18.851 0.2 . 1 . . . . 85 ALA CB . 6864 1 761 . 1 1 85 85 ALA N N 15 122.290 0.1 . 1 . . . . 85 ALA N . 6864 1 762 . 1 1 86 86 GLY H H 1 8.951 0.01 . 1 . . . . 86 GLY HN . 6864 1 763 . 1 1 86 86 GLY HA2 H 1 3.800 0.01 . 2 . . . . 86 GLY HA1 . 6864 1 764 . 1 1 86 86 GLY HA3 H 1 3.820 0.01 . 2 . . . . 86 GLY HA2 . 6864 1 765 . 1 1 86 86 GLY CA C 13 45.430 0.2 . 1 . . . . 86 GLY CA . 6864 1 766 . 1 1 86 86 GLY N N 15 109.767 0.1 . 1 . . . . 86 GLY N . 6864 1 767 . 1 1 87 87 ALA H H 1 7.405 0.01 . 1 . . . . 87 ALA HN . 6864 1 768 . 1 1 87 87 ALA HA H 1 4.176 0.01 . 1 . . . . 87 ALA HA . 6864 1 769 . 1 1 87 87 ALA HB1 H 1 0.720 0.01 . 1 . . . . 87 ALA HB . 6864 1 770 . 1 1 87 87 ALA HB2 H 1 0.720 0.01 . 1 . . . . 87 ALA HB . 6864 1 771 . 1 1 87 87 ALA HB3 H 1 0.720 0.01 . 1 . . . . 87 ALA HB . 6864 1 772 . 1 1 87 87 ALA CA C 13 50.204 0.2 . 1 . . . . 87 ALA CA . 6864 1 773 . 1 1 87 87 ALA CB C 13 18.992 0.2 . 1 . . . . 87 ALA CB . 6864 1 774 . 1 1 87 87 ALA N N 15 122.265 0.1 . 1 . . . . 87 ALA N . 6864 1 775 . 1 1 88 88 SER H H 1 8.014 0.01 . 1 . . . . 88 SER HN . 6864 1 776 . 1 1 88 88 SER HA H 1 4.291 0.01 . 1 . . . . 88 SER HA . 6864 1 777 . 1 1 88 88 SER HB2 H 1 3.835 0.01 . 2 . . . . 88 SER HB1 . 6864 1 778 . 1 1 88 88 SER HB3 H 1 4.084 0.01 . 2 . . . . 88 SER HB2 . 6864 1 779 . 1 1 88 88 SER CA C 13 56.696 0.2 . 1 . . . . 88 SER CA . 6864 1 780 . 1 1 88 88 SER CB C 13 64.103 0.2 . 1 . . . . 88 SER CB . 6864 1 781 . 1 1 88 88 SER N N 15 114.555 0.1 . 1 . . . . 88 SER N . 6864 1 782 . 1 1 89 89 ALA H H 1 8.792 0.01 . 1 . . . . 89 ALA HN . 6864 1 783 . 1 1 89 89 ALA HA H 1 4.064 0.01 . 1 . . . . 89 ALA HA . 6864 1 784 . 1 1 89 89 ALA HB1 H 1 1.455 0.01 . 1 . . . . 89 ALA HB . 6864 1 785 . 1 1 89 89 ALA HB2 H 1 1.455 0.01 . 1 . . . . 89 ALA HB . 6864 1 786 . 1 1 89 89 ALA HB3 H 1 1.455 0.01 . 1 . . . . 89 ALA HB . 6864 1 787 . 1 1 89 89 ALA CA C 13 55.285 0.2 . 1 . . . . 89 ALA CA . 6864 1 788 . 1 1 89 89 ALA CB C 13 17.639 0.2 . 1 . . . . 89 ALA CB . 6864 1 789 . 1 1 89 89 ALA N N 15 123.426 0.1 . 1 . . . . 89 ALA N . 6864 1 790 . 1 1 90 90 SER H H 1 8.227 0.01 . 1 . . . . 90 SER HN . 6864 1 791 . 1 1 90 90 SER HA H 1 3.801 0.01 . 1 . . . . 90 SER HA . 6864 1 792 . 1 1 90 90 SER HB2 H 1 3.702 0.01 . 1 . . . . 90 SER HB1 . 6864 1 793 . 1 1 90 90 SER HB3 H 1 3.702 0.01 . 1 . . . . 90 SER HB2 . 6864 1 794 . 1 1 90 90 SER CA C 13 60.345 0.2 . 1 . . . . 90 SER CA . 6864 1 795 . 1 1 90 90 SER CB C 13 61.516 0.2 . 1 . . . . 90 SER CB . 6864 1 796 . 1 1 90 90 SER N N 15 110.808 0.1 . 1 . . . . 90 SER N . 6864 1 797 . 1 1 91 91 ALA H H 1 7.622 0.01 . 1 . . . . 91 ALA HN . 6864 1 798 . 1 1 91 91 ALA HA H 1 3.925 0.01 . 1 . . . . 91 ALA HA . 6864 1 799 . 1 1 91 91 ALA HB1 H 1 1.100 0.01 . 1 . . . . 91 ALA HB . 6864 1 800 . 1 1 91 91 ALA HB2 H 1 1.100 0.01 . 1 . . . . 91 ALA HB . 6864 1 801 . 1 1 91 91 ALA HB3 H 1 1.100 0.01 . 1 . . . . 91 ALA HB . 6864 1 802 . 1 1 91 91 ALA CA C 13 54.270 0.2 . 1 . . . . 91 ALA CA . 6864 1 803 . 1 1 91 91 ALA CB C 13 17.341 0.2 . 1 . . . . 91 ALA CB . 6864 1 804 . 1 1 91 91 ALA N N 15 126.031 0.1 . 1 . . . . 91 ALA N . 6864 1 805 . 1 1 92 92 TYR H H 1 7.264 0.01 . 1 . . . . 92 TYR HN . 6864 1 806 . 1 1 92 92 TYR HA H 1 3.799 0.01 . 1 . . . . 92 TYR HA . 6864 1 807 . 1 1 92 92 TYR HB2 H 1 2.004 0.01 . 2 . . . . 92 TYR HB1 . 6864 1 808 . 1 1 92 92 TYR HB3 H 1 2.299 0.01 . 2 . . . . 92 TYR HB2 . 6864 1 809 . 1 1 92 92 TYR HD1 H 1 6.538 0.01 . 1 . . . . 92 TYR HD1 . 6864 1 810 . 1 1 92 92 TYR HD2 H 1 6.538 0.01 . 1 . . . . 92 TYR HD2 . 6864 1 811 . 1 1 92 92 TYR HE1 H 1 6.650 0.01 . 1 . . . . 92 TYR HE1 . 6864 1 812 . 1 1 92 92 TYR HE2 H 1 6.650 0.01 . 1 . . . . 92 TYR HE2 . 6864 1 813 . 1 1 92 92 TYR CA C 13 61.461 0.2 . 1 . . . . 92 TYR CA . 6864 1 814 . 1 1 92 92 TYR CB C 13 36.613 0.2 . 1 . . . . 92 TYR CB . 6864 1 815 . 1 1 92 92 TYR CD1 C 13 131.371 0.2 . 1 . . . . 92 TYR CD1 . 6864 1 816 . 1 1 92 92 TYR CD2 C 13 131.371 0.2 . 1 . . . . 92 TYR CD2 . 6864 1 817 . 1 1 92 92 TYR CE1 C 13 117.598 0.2 . 1 . . . . 92 TYR CE1 . 6864 1 818 . 1 1 92 92 TYR CE2 C 13 117.598 0.2 . 1 . . . . 92 TYR CE2 . 6864 1 819 . 1 1 92 92 TYR N N 15 117.215 0.1 . 1 . . . . 92 TYR N . 6864 1 820 . 1 1 93 93 ALA H H 1 8.340 0.01 . 1 . . . . 93 ALA HN . 6864 1 821 . 1 1 93 93 ALA HA H 1 3.570 0.01 . 1 . . . . 93 ALA HA . 6864 1 822 . 1 1 93 93 ALA HB1 H 1 1.330 0.01 . 1 . . . . 93 ALA HB . 6864 1 823 . 1 1 93 93 ALA HB2 H 1 1.330 0.01 . 1 . . . . 93 ALA HB . 6864 1 824 . 1 1 93 93 ALA HB3 H 1 1.330 0.01 . 1 . . . . 93 ALA HB . 6864 1 825 . 1 1 93 93 ALA CA C 13 54.724 0.2 . 1 . . . . 93 ALA CA . 6864 1 826 . 1 1 93 93 ALA CB C 13 18.180 0.2 . 1 . . . . 93 ALA CB . 6864 1 827 . 1 1 93 93 ALA N N 15 120.818 0.1 . 1 . . . . 93 ALA N . 6864 1 828 . 1 1 94 94 ASN H H 1 8.295 0.01 . 1 . . . . 94 ASN HN . 6864 1 829 . 1 1 94 94 ASN HA H 1 4.218 0.01 . 1 . . . . 94 ASN HA . 6864 1 830 . 1 1 94 94 ASN HB2 H 1 2.518 0.01 . 2 . . . . 94 ASN HB1 . 6864 1 831 . 1 1 94 94 ASN HB3 H 1 2.677 0.01 . 2 . . . . 94 ASN HB2 . 6864 1 832 . 1 1 94 94 ASN HD21 H 1 7.426 0.01 . 2 . . . . 94 ASN HD21 . 6864 1 833 . 1 1 94 94 ASN HD22 H 1 6.829 0.01 . 2 . . . . 94 ASN HD22 . 6864 1 834 . 1 1 94 94 ASN CA C 13 55.519 0.2 . 1 . . . . 94 ASN CA . 6864 1 835 . 1 1 94 94 ASN CB C 13 37.729 0.2 . 1 . . . . 94 ASN CB . 6864 1 836 . 1 1 94 94 ASN N N 15 115.181 0.1 . 1 . . . . 94 ASN N . 6864 1 837 . 1 1 94 94 ASN ND2 N 15 112.341 0.1 . 1 . . . . 94 ASN ND2 . 6864 1 838 . 1 1 95 95 ALA H H 1 7.407 0.01 . 1 . . . . 95 ALA HN . 6864 1 839 . 1 1 95 95 ALA HA H 1 3.961 0.01 . 1 . . . . 95 ALA HA . 6864 1 840 . 1 1 95 95 ALA HB1 H 1 1.184 0.01 . 1 . . . . 95 ALA HB . 6864 1 841 . 1 1 95 95 ALA HB2 H 1 1.184 0.01 . 1 . . . . 95 ALA HB . 6864 1 842 . 1 1 95 95 ALA HB3 H 1 1.184 0.01 . 1 . . . . 95 ALA HB . 6864 1 843 . 1 1 95 95 ALA CA C 13 54.268 0.2 . 1 . . . . 95 ALA CA . 6864 1 844 . 1 1 95 95 ALA CB C 13 17.523 0.2 . 1 . . . . 95 ALA CB . 6864 1 845 . 1 1 95 95 ALA N N 15 121.601 0.1 . 1 . . . . 95 ALA N . 6864 1 846 . 1 1 96 96 ILE H H 1 8.240 0.01 . 1 . . . . 96 ILE HN . 6864 1 847 . 1 1 96 96 ILE HA H 1 3.349 0.01 . 1 . . . . 96 ILE HA . 6864 1 848 . 1 1 96 96 ILE HB H 1 1.790 0.01 . 1 . . . . 96 ILE HB . 6864 1 849 . 1 1 96 96 ILE HG12 H 1 0.870 0.01 . 1 . . . . 96 ILE HG11 . 6864 1 850 . 1 1 96 96 ILE HG13 H 1 1.770 0.01 . 1 . . . . 96 ILE HG12 . 6864 1 851 . 1 1 96 96 ILE HG21 H 1 0.860 0.01 . 1 . . . . 96 ILE HG2 . 6864 1 852 . 1 1 96 96 ILE HG22 H 1 0.860 0.01 . 1 . . . . 96 ILE HG2 . 6864 1 853 . 1 1 96 96 ILE HG23 H 1 0.860 0.01 . 1 . . . . 96 ILE HG2 . 6864 1 854 . 1 1 96 96 ILE HD11 H 1 0.588 0.01 . 1 . . . . 96 ILE HD1 . 6864 1 855 . 1 1 96 96 ILE HD12 H 1 0.588 0.01 . 1 . . . . 96 ILE HD1 . 6864 1 856 . 1 1 96 96 ILE HD13 H 1 0.588 0.01 . 1 . . . . 96 ILE HD1 . 6864 1 857 . 1 1 96 96 ILE CA C 13 65.012 0.2 . 1 . . . . 96 ILE CA . 6864 1 858 . 1 1 96 96 ILE CB C 13 37.540 0.2 . 1 . . . . 96 ILE CB . 6864 1 859 . 1 1 96 96 ILE CG1 C 13 29.688 0.2 . 1 . . . . 96 ILE CG1 . 6864 1 860 . 1 1 96 96 ILE CG2 C 13 16.868 0.2 . 1 . . . . 96 ILE CG2 . 6864 1 861 . 1 1 96 96 ILE CD1 C 13 12.400 0.2 . 1 . . . . 96 ILE CD1 . 6864 1 862 . 1 1 96 96 ILE N N 15 117.771 0.1 . 1 . . . . 96 ILE N . 6864 1 863 . 1 1 97 97 ALA H H 1 8.344 0.01 . 1 . . . . 97 ALA HN . 6864 1 864 . 1 1 97 97 ALA HA H 1 3.753 0.01 . 1 . . . . 97 ALA HA . 6864 1 865 . 1 1 97 97 ALA HB1 H 1 1.561 0.01 . 1 . . . . 97 ALA HB . 6864 1 866 . 1 1 97 97 ALA HB2 H 1 1.561 0.01 . 1 . . . . 97 ALA HB . 6864 1 867 . 1 1 97 97 ALA HB3 H 1 1.561 0.01 . 1 . . . . 97 ALA HB . 6864 1 868 . 1 1 97 97 ALA CA C 13 55.340 0.2 . 1 . . . . 97 ALA CA . 6864 1 869 . 1 1 97 97 ALA CB C 13 19.709 0.2 . 1 . . . . 97 ALA CB . 6864 1 870 . 1 1 97 97 ALA N N 15 121.242 0.1 . 1 . . . . 97 ALA N . 6864 1 871 . 1 1 98 98 ARG H H 1 8.013 0.01 . 1 . . . . 98 ARG HN . 6864 1 872 . 1 1 98 98 ARG HA H 1 3.912 0.01 . 1 . . . . 98 ARG HA . 6864 1 873 . 1 1 98 98 ARG HB2 H 1 1.760 0.01 . 1 . . . . 98 ARG HB1 . 6864 1 874 . 1 1 98 98 ARG HB3 H 1 1.760 0.01 . 1 . . . . 98 ARG HB2 . 6864 1 875 . 1 1 98 98 ARG HG2 H 1 1.380 0.01 . 2 . . . . 98 ARG HG1 . 6864 1 876 . 1 1 98 98 ARG HG3 H 1 1.640 0.01 . 2 . . . . 98 ARG HG2 . 6864 1 877 . 1 1 98 98 ARG HD2 H 1 2.996 0.01 . 1 . . . . 98 ARG HD1 . 6864 1 878 . 1 1 98 98 ARG HD3 H 1 2.996 0.01 . 1 . . . . 98 ARG HD2 . 6864 1 879 . 1 1 98 98 ARG CA C 13 58.486 0.2 . 1 . . . . 98 ARG CA . 6864 1 880 . 1 1 98 98 ARG CB C 13 29.175 0.2 . 1 . . . . 98 ARG CB . 6864 1 881 . 1 1 98 98 ARG CG C 13 26.952 0.2 . 1 . . . . 98 ARG CG . 6864 1 882 . 1 1 98 98 ARG CD C 13 42.564 0.2 . 1 . . . . 98 ARG CD . 6864 1 883 . 1 1 98 98 ARG N N 15 115.885 0.1 . 1 . . . . 98 ARG N . 6864 1 884 . 1 1 99 99 ALA H H 1 7.748 0.01 . 1 . . . . 99 ALA HN . 6864 1 885 . 1 1 99 99 ALA HA H 1 4.062 0.01 . 1 . . . . 99 ALA HA . 6864 1 886 . 1 1 99 99 ALA HB1 H 1 1.237 0.01 . 1 . . . . 99 ALA HB . 6864 1 887 . 1 1 99 99 ALA HB2 H 1 1.237 0.01 . 1 . . . . 99 ALA HB . 6864 1 888 . 1 1 99 99 ALA HB3 H 1 1.237 0.01 . 1 . . . . 99 ALA HB . 6864 1 889 . 1 1 99 99 ALA CA C 13 53.873 0.2 . 1 . . . . 99 ALA CA . 6864 1 890 . 1 1 99 99 ALA CB C 13 18.399 0.2 . 1 . . . . 99 ALA CB . 6864 1 891 . 1 1 99 99 ALA N N 15 121.302 0.1 . 1 . . . . 99 ALA N . 6864 1 892 . 1 1 100 100 ALA H H 1 8.581 0.01 . 1 . . . . 100 ALA HN . 6864 1 893 . 1 1 100 100 ALA HA H 1 3.610 0.01 . 1 . . . . 100 ALA HA . 6864 1 894 . 1 1 100 100 ALA HB1 H 1 0.927 0.01 . 1 . . . . 100 ALA HB . 6864 1 895 . 1 1 100 100 ALA HB2 H 1 0.927 0.01 . 1 . . . . 100 ALA HB . 6864 1 896 . 1 1 100 100 ALA HB3 H 1 0.927 0.01 . 1 . . . . 100 ALA HB . 6864 1 897 . 1 1 100 100 ALA CA C 13 54.100 0.2 . 1 . . . . 100 ALA CA . 6864 1 898 . 1 1 100 100 ALA CB C 13 18.042 0.2 . 1 . . . . 100 ALA CB . 6864 1 899 . 1 1 100 100 ALA N N 15 119.935 0.1 . 1 . . . . 100 ALA N . 6864 1 900 . 1 1 101 101 GLY H H 1 8.224 0.01 . 1 . . . . 101 GLY HN . 6864 1 901 . 1 1 101 101 GLY HA2 H 1 2.654 0.01 . 2 . . . . 101 GLY HA1 . 6864 1 902 . 1 1 101 101 GLY HA3 H 1 3.510 0.01 . 2 . . . . 101 GLY HA2 . 6864 1 903 . 1 1 101 101 GLY CA C 13 47.213 0.2 . 1 . . . . 101 GLY CA . 6864 1 904 . 1 1 101 101 GLY N N 15 105.696 0.1 . 1 . . . . 101 GLY N . 6864 1 905 . 1 1 102 102 GLN H H 1 7.741 0.01 . 1 . . . . 102 GLN HN . 6864 1 906 . 1 1 102 102 GLN HA H 1 3.877 0.01 . 1 . . . . 102 GLN HA . 6864 1 907 . 1 1 102 102 GLN HB2 H 1 1.952 0.01 . 2 . . . . 102 GLN HB1 . 6864 1 908 . 1 1 102 102 GLN HB3 H 1 2.019 0.01 . 2 . . . . 102 GLN HB2 . 6864 1 909 . 1 1 102 102 GLN HG2 H 1 2.230 0.01 . 2 . . . . 102 GLN HG1 . 6864 1 910 . 1 1 102 102 GLN HG3 H 1 2.311 0.01 . 2 . . . . 102 GLN HG2 . 6864 1 911 . 1 1 102 102 GLN HE21 H 1 7.344 0.01 . 2 . . . . 102 GLN HE21 . 6864 1 912 . 1 1 102 102 GLN HE22 H 1 6.720 0.01 . 2 . . . . 102 GLN HE22 . 6864 1 913 . 1 1 102 102 GLN CA C 13 57.941 0.2 . 1 . . . . 102 GLN CA . 6864 1 914 . 1 1 102 102 GLN CB C 13 27.622 0.2 . 1 . . . . 102 GLN CB . 6864 1 915 . 1 1 102 102 GLN CG C 13 32.946 0.2 . 1 . . . . 102 GLN CG . 6864 1 916 . 1 1 102 102 GLN N N 15 119.784 0.1 . 1 . . . . 102 GLN N . 6864 1 917 . 1 1 102 102 GLN NE2 N 15 111.920 0.1 . 1 . . . . 102 GLN NE2 . 6864 1 918 . 1 1 103 103 PHE H H 1 7.955 0.01 . 1 . . . . 103 PHE HN . 6864 1 919 . 1 1 103 103 PHE HA H 1 3.932 0.01 . 1 . . . . 103 PHE HA . 6864 1 920 . 1 1 103 103 PHE HB2 H 1 2.759 0.01 . 2 . . . . 103 PHE HB1 . 6864 1 921 . 1 1 103 103 PHE HB3 H 1 2.959 0.01 . 2 . . . . 103 PHE HB2 . 6864 1 922 . 1 1 103 103 PHE CA C 13 61.090 0.2 . 1 . . . . 103 PHE CA . 6864 1 923 . 1 1 103 103 PHE CB C 13 38.657 0.2 . 1 . . . . 103 PHE CB . 6864 1 924 . 1 1 103 103 PHE N N 15 120.603 0.1 . 1 . . . . 103 PHE N . 6864 1 925 . 1 1 104 104 LEU H H 1 8.529 0.01 . 1 . . . . 104 LEU HN . 6864 1 926 . 1 1 104 104 LEU HA H 1 3.527 0.01 . 1 . . . . 104 LEU HA . 6864 1 927 . 1 1 104 104 LEU HB2 H 1 1.247 0.01 . 1 . . . . 104 LEU HB1 . 6864 1 928 . 1 1 104 104 LEU HB3 H 1 1.247 0.01 . 1 . . . . 104 LEU HB2 . 6864 1 929 . 1 1 104 104 LEU HD11 H 1 0.007 0.01 . 2 . . . . 104 LEU HD1 . 6864 1 930 . 1 1 104 104 LEU HD12 H 1 0.007 0.01 . 2 . . . . 104 LEU HD1 . 6864 1 931 . 1 1 104 104 LEU HD13 H 1 0.007 0.01 . 2 . . . . 104 LEU HD1 . 6864 1 932 . 1 1 104 104 LEU HD21 H 1 0.770 0.01 . 2 . . . . 104 LEU HD2 . 6864 1 933 . 1 1 104 104 LEU HD22 H 1 0.770 0.01 . 2 . . . . 104 LEU HD2 . 6864 1 934 . 1 1 104 104 LEU HD23 H 1 0.770 0.01 . 2 . . . . 104 LEU HD2 . 6864 1 935 . 1 1 104 104 LEU CA C 13 56.800 0.2 . 1 . . . . 104 LEU CA . 6864 1 936 . 1 1 104 104 LEU CB C 13 40.577 0.2 . 1 . . . . 104 LEU CB . 6864 1 937 . 1 1 104 104 LEU CD1 C 13 25.003 0.2 . 1 . . . . 104 LEU CD1 . 6864 1 938 . 1 1 104 104 LEU CD2 C 13 21.125 0.2 . 1 . . . . 104 LEU CD2 . 6864 1 939 . 1 1 104 104 LEU N N 15 118.038 0.1 . 1 . . . . 104 LEU N . 6864 1 940 . 1 1 105 105 ALA H H 1 7.970 0.01 . 1 . . . . 105 ALA HN . 6864 1 941 . 1 1 105 105 ALA HA H 1 4.198 0.01 . 1 . . . . 105 ALA HA . 6864 1 942 . 1 1 105 105 ALA HB1 H 1 1.378 0.01 . 1 . . . . 105 ALA HB . 6864 1 943 . 1 1 105 105 ALA HB2 H 1 1.378 0.01 . 1 . . . . 105 ALA HB . 6864 1 944 . 1 1 105 105 ALA HB3 H 1 1.378 0.01 . 1 . . . . 105 ALA HB . 6864 1 945 . 1 1 105 105 ALA CA C 13 54.260 0.2 . 1 . . . . 105 ALA CA . 6864 1 946 . 1 1 105 105 ALA CB C 13 17.696 0.2 . 1 . . . . 105 ALA CB . 6864 1 947 . 1 1 105 105 ALA N N 15 122.242 0.1 . 1 . . . . 105 ALA N . 6864 1 948 . 1 1 106 106 THR H H 1 7.963 0.01 . 1 . . . . 106 THR HN . 6864 1 949 . 1 1 106 106 THR HA H 1 3.804 0.01 . 1 . . . . 106 THR HA . 6864 1 950 . 1 1 106 106 THR HB H 1 4.040 0.01 . 1 . . . . 106 THR HB . 6864 1 951 . 1 1 106 106 THR HG21 H 1 1.060 0.01 . 1 . . . . 106 THR HG2 . 6864 1 952 . 1 1 106 106 THR HG22 H 1 1.060 0.01 . 1 . . . . 106 THR HG2 . 6864 1 953 . 1 1 106 106 THR HG23 H 1 1.060 0.01 . 1 . . . . 106 THR HG2 . 6864 1 954 . 1 1 106 106 THR CA C 13 65.351 0.2 . 1 . . . . 106 THR CA . 6864 1 955 . 1 1 106 106 THR CB C 13 68.044 0.2 . 1 . . . . 106 THR CB . 6864 1 956 . 1 1 106 106 THR CG2 C 13 21.000 0.2 . 1 . . . . 106 THR CG2 . 6864 1 957 . 1 1 106 106 THR N N 15 116.067 0.1 . 1 . . . . 106 THR N . 6864 1 958 . 1 1 107 107 GLN H H 1 7.417 0.01 . 1 . . . . 107 GLN HN . 6864 1 959 . 1 1 107 107 GLN HA H 1 3.840 0.01 . 1 . . . . 107 GLN HA . 6864 1 960 . 1 1 107 107 GLN HB2 H 1 1.471 0.01 . 2 . . . . 107 GLN HB1 . 6864 1 961 . 1 1 107 107 GLN HB3 H 1 1.560 0.01 . 2 . . . . 107 GLN HB2 . 6864 1 962 . 1 1 107 107 GLN HG2 H 1 1.570 0.01 . 2 . . . . 107 GLN HG1 . 6864 1 963 . 1 1 107 107 GLN HG3 H 1 2.039 0.01 . 2 . . . . 107 GLN HG2 . 6864 1 964 . 1 1 107 107 GLN CA C 13 54.957 0.2 . 1 . . . . 107 GLN CA . 6864 1 965 . 1 1 107 107 GLN CB C 13 28.524 0.2 . 1 . . . . 107 GLN CB . 6864 1 966 . 1 1 107 107 GLN CG C 13 32.969 0.2 . 1 . . . . 107 GLN CG . 6864 1 967 . 1 1 107 107 GLN N N 15 116.788 0.1 . 1 . . . . 107 GLN N . 6864 1 968 . 1 1 108 108 GLY H H 1 7.469 0.01 . 1 . . . . 108 GLY HN . 6864 1 969 . 1 1 108 108 GLY HA2 H 1 3.774 0.01 . 2 . . . . 108 GLY HA1 . 6864 1 970 . 1 1 108 108 GLY HA3 H 1 3.957 0.01 . 2 . . . . 108 GLY HA2 . 6864 1 971 . 1 1 108 108 GLY CA C 13 44.931 0.2 . 1 . . . . 108 GLY CA . 6864 1 972 . 1 1 108 108 GLY N N 15 106.475 0.1 . 1 . . . . 108 GLY N . 6864 1 973 . 1 1 109 109 VAL H H 1 7.298 0.01 . 1 . . . . 109 VAL HN . 6864 1 974 . 1 1 109 109 VAL HA H 1 3.717 0.01 . 1 . . . . 109 VAL HA . 6864 1 975 . 1 1 109 109 VAL HB H 1 1.747 0.01 . 1 . . . . 109 VAL HB . 6864 1 976 . 1 1 109 109 VAL HG11 H 1 0.724 0.01 . 2 . . . . 109 VAL HG1 . 6864 1 977 . 1 1 109 109 VAL HG12 H 1 0.724 0.01 . 2 . . . . 109 VAL HG1 . 6864 1 978 . 1 1 109 109 VAL HG13 H 1 0.724 0.01 . 2 . . . . 109 VAL HG1 . 6864 1 979 . 1 1 109 109 VAL HG21 H 1 0.708 0.01 . 2 . . . . 109 VAL HG2 . 6864 1 980 . 1 1 109 109 VAL HG22 H 1 0.708 0.01 . 2 . . . . 109 VAL HG2 . 6864 1 981 . 1 1 109 109 VAL HG23 H 1 0.708 0.01 . 2 . . . . 109 VAL HG2 . 6864 1 982 . 1 1 109 109 VAL CA C 13 62.279 0.2 . 1 . . . . 109 VAL CA . 6864 1 983 . 1 1 109 109 VAL CB C 13 32.286 0.2 . 1 . . . . 109 VAL CB . 6864 1 984 . 1 1 109 109 VAL CG1 C 13 20.630 0.2 . 1 . . . . 109 VAL CG1 . 6864 1 985 . 1 1 109 109 VAL CG2 C 13 20.360 0.2 . 1 . . . . 109 VAL CG2 . 6864 1 986 . 1 1 109 109 VAL N N 15 116.118 0.1 . 1 . . . . 109 VAL N . 6864 1 987 . 1 1 110 110 LEU H H 1 6.670 0.01 . 1 . . . . 110 LEU HN . 6864 1 988 . 1 1 110 110 LEU HA H 1 4.448 0.01 . 1 . . . . 110 LEU HA . 6864 1 989 . 1 1 110 110 LEU HB2 H 1 1.020 0.01 . 2 . . . . 110 LEU HB1 . 6864 1 990 . 1 1 110 110 LEU HB3 H 1 1.195 0.01 . 2 . . . . 110 LEU HB2 . 6864 1 991 . 1 1 110 110 LEU HG H 1 1.130 0.01 . 1 . . . . 110 LEU HG . 6864 1 992 . 1 1 110 110 LEU HD11 H 1 0.605 0.01 . 2 . . . . 110 LEU HD1 . 6864 1 993 . 1 1 110 110 LEU HD12 H 1 0.605 0.01 . 2 . . . . 110 LEU HD1 . 6864 1 994 . 1 1 110 110 LEU HD13 H 1 0.605 0.01 . 2 . . . . 110 LEU HD1 . 6864 1 995 . 1 1 110 110 LEU HD21 H 1 0.716 0.01 . 2 . . . . 110 LEU HD2 . 6864 1 996 . 1 1 110 110 LEU HD22 H 1 0.716 0.01 . 2 . . . . 110 LEU HD2 . 6864 1 997 . 1 1 110 110 LEU HD23 H 1 0.716 0.01 . 2 . . . . 110 LEU HD2 . 6864 1 998 . 1 1 110 110 LEU CA C 13 52.729 0.2 . 1 . . . . 110 LEU CA . 6864 1 999 . 1 1 110 110 LEU CB C 13 43.774 0.2 . 1 . . . . 110 LEU CB . 6864 1 1000 . 1 1 110 110 LEU CG C 13 26.300 0.2 . 1 . . . . 110 LEU CG . 6864 1 1001 . 1 1 110 110 LEU CD1 C 13 24.100 0.2 . 1 . . . . 110 LEU CD1 . 6864 1 1002 . 1 1 110 110 LEU CD2 C 13 24.850 0.2 . 1 . . . . 110 LEU CD2 . 6864 1 1003 . 1 1 110 110 LEU N N 15 117.847 0.1 . 1 . . . . 110 LEU N . 6864 1 1004 . 1 1 111 111 ASN H H 1 9.050 0.01 . 1 . . . . 111 ASN HN . 6864 1 1005 . 1 1 111 111 ASN HA H 1 3.658 0.01 . 1 . . . . 111 ASN HA . 6864 1 1006 . 1 1 111 111 ASN HB2 H 1 2.505 0.01 . 2 . . . . 111 ASN HB1 . 6864 1 1007 . 1 1 111 111 ASN HB3 H 1 2.672 0.01 . 2 . . . . 111 ASN HB2 . 6864 1 1008 . 1 1 111 111 ASN HD21 H 1 7.506 0.01 . 2 . . . . 111 ASN HD21 . 6864 1 1009 . 1 1 111 111 ASN HD22 H 1 6.416 0.01 . 2 . . . . 111 ASN HD22 . 6864 1 1010 . 1 1 111 111 ASN CA C 13 50.645 0.2 . 1 . . . . 111 ASN CA . 6864 1 1011 . 1 1 111 111 ASN CB C 13 39.456 0.2 . 1 . . . . 111 ASN CB . 6864 1 1012 . 1 1 111 111 ASN N N 15 120.845 0.1 . 1 . . . . 111 ASN N . 6864 1 1013 . 1 1 111 111 ASN ND2 N 15 116.435 0.1 . 1 . . . . 111 ASN ND2 . 6864 1 1014 . 1 1 112 112 ALA H H 1 7.904 0.01 . 1 . . . . 112 ALA HN . 6864 1 1015 . 1 1 112 112 ALA HA H 1 3.575 0.01 . 1 . . . . 112 ALA HA . 6864 1 1016 . 1 1 112 112 ALA HB1 H 1 1.240 0.01 . 1 . . . . 112 ALA HB . 6864 1 1017 . 1 1 112 112 ALA HB2 H 1 1.240 0.01 . 1 . . . . 112 ALA HB . 6864 1 1018 . 1 1 112 112 ALA HB3 H 1 1.240 0.01 . 1 . . . . 112 ALA HB . 6864 1 1019 . 1 1 112 112 ALA CA C 13 54.050 0.2 . 1 . . . . 112 ALA CA . 6864 1 1020 . 1 1 112 112 ALA CB C 13 17.720 0.2 . 1 . . . . 112 ALA CB . 6864 1 1021 . 1 1 112 112 ALA N N 15 118.019 0.1 . 1 . . . . 112 ALA N . 6864 1 1022 . 1 1 113 113 GLY H H 1 8.213 0.01 . 1 . . . . 113 GLY HN . 6864 1 1023 . 1 1 113 113 GLY HA2 H 1 3.621 0.01 . 2 . . . . 113 GLY HA1 . 6864 1 1024 . 1 1 113 113 GLY HA3 H 1 3.997 0.01 . 2 . . . . 113 GLY HA2 . 6864 1 1025 . 1 1 113 113 GLY CA C 13 45.052 0.2 . 1 . . . . 113 GLY CA . 6864 1 1026 . 1 1 113 113 GLY N N 15 103.598 0.1 . 1 . . . . 113 GLY N . 6864 1 1027 . 1 1 114 114 ASN H H 1 7.493 0.01 . 1 . . . . 114 ASN HN . 6864 1 1028 . 1 1 114 114 ASN HA H 1 4.840 0.01 . 1 . . . . 114 ASN HA . 6864 1 1029 . 1 1 114 114 ASN HB2 H 1 2.490 0.01 . 2 . . . . 114 ASN HB1 . 6864 1 1030 . 1 1 114 114 ASN HB3 H 1 3.210 0.01 . 2 . . . . 114 ASN HB2 . 6864 1 1031 . 1 1 114 114 ASN HD21 H 1 7.152 0.01 . 2 . . . . 114 ASN HD21 . 6864 1 1032 . 1 1 114 114 ASN HD22 H 1 6.883 0.01 . 2 . . . . 114 ASN HD22 . 6864 1 1033 . 1 1 114 114 ASN CA C 13 51.139 0.2 . 1 . . . . 114 ASN CA . 6864 1 1034 . 1 1 114 114 ASN CB C 13 38.778 0.2 . 1 . . . . 114 ASN CB . 6864 1 1035 . 1 1 114 114 ASN N N 15 117.447 0.1 . 1 . . . . 114 ASN N . 6864 1 1036 . 1 1 114 114 ASN ND2 N 15 106.200 0.1 . 1 . . . . 114 ASN ND2 . 6864 1 1037 . 1 1 115 115 ALA H H 1 7.290 0.01 . 1 . . . . 115 ALA HN . 6864 1 1038 . 1 1 115 115 ALA HA H 1 3.911 0.01 . 1 . . . . 115 ALA HA . 6864 1 1039 . 1 1 115 115 ALA HB1 H 1 1.466 0.01 . 1 . . . . 115 ALA HB . 6864 1 1040 . 1 1 115 115 ALA HB2 H 1 1.466 0.01 . 1 . . . . 115 ALA HB . 6864 1 1041 . 1 1 115 115 ALA HB3 H 1 1.466 0.01 . 1 . . . . 115 ALA HB . 6864 1 1042 . 1 1 115 115 ALA CA C 13 56.952 0.2 . 1 . . . . 115 ALA CA . 6864 1 1043 . 1 1 115 115 ALA CB C 13 18.137 0.2 . 1 . . . . 115 ALA CB . 6864 1 1044 . 1 1 115 115 ALA N N 15 122.463 0.1 . 1 . . . . 115 ALA N . 6864 1 1045 . 1 1 116 116 SER H H 1 8.135 0.01 . 1 . . . . 116 SER HN . 6864 1 1046 . 1 1 116 116 SER HA H 1 3.893 0.01 . 1 . . . . 116 SER HA . 6864 1 1047 . 1 1 116 116 SER HB2 H 1 3.699 0.01 . 1 . . . . 116 SER HB1 . 6864 1 1048 . 1 1 116 116 SER HB3 H 1 3.699 0.01 . 1 . . . . 116 SER HB2 . 6864 1 1049 . 1 1 116 116 SER CA C 13 60.814 0.2 . 1 . . . . 116 SER CA . 6864 1 1050 . 1 1 116 116 SER CB C 13 61.500 0.2 . 1 . . . . 116 SER CB . 6864 1 1051 . 1 1 116 116 SER N N 15 109.680 0.1 . 1 . . . . 116 SER N . 6864 1 1052 . 1 1 117 117 ALA H H 1 8.233 0.01 . 1 . . . . 117 ALA HN . 6864 1 1053 . 1 1 117 117 ALA HA H 1 4.002 0.01 . 1 . . . . 117 ALA HA . 6864 1 1054 . 1 1 117 117 ALA HB1 H 1 1.330 0.01 . 1 . . . . 117 ALA HB . 6864 1 1055 . 1 1 117 117 ALA HB2 H 1 1.330 0.01 . 1 . . . . 117 ALA HB . 6864 1 1056 . 1 1 117 117 ALA HB3 H 1 1.330 0.01 . 1 . . . . 117 ALA HB . 6864 1 1057 . 1 1 117 117 ALA CA C 13 54.282 0.2 . 1 . . . . 117 ALA CA . 6864 1 1058 . 1 1 117 117 ALA CB C 13 17.500 0.2 . 1 . . . . 117 ALA CB . 6864 1 1059 . 1 1 117 117 ALA N N 15 127.849 0.1 . 1 . . . . 117 ALA N . 6864 1 1060 . 1 1 118 118 LEU H H 1 9.035 0.01 . 1 . . . . 118 LEU HN . 6864 1 1061 . 1 1 118 118 LEU HA H 1 4.145 0.01 . 1 . . . . 118 LEU HA . 6864 1 1062 . 1 1 118 118 LEU HB2 H 1 1.495 0.01 . 2 . . . . 118 LEU HB1 . 6864 1 1063 . 1 1 118 118 LEU HB3 H 1 1.718 0.01 . 2 . . . . 118 LEU HB2 . 6864 1 1064 . 1 1 118 118 LEU HG H 1 1.670 0.01 . 1 . . . . 118 LEU HG . 6864 1 1065 . 1 1 118 118 LEU HD11 H 1 0.700 0.01 . 2 . . . . 118 LEU HD1 . 6864 1 1066 . 1 1 118 118 LEU HD12 H 1 0.700 0.01 . 2 . . . . 118 LEU HD1 . 6864 1 1067 . 1 1 118 118 LEU HD13 H 1 0.700 0.01 . 2 . . . . 118 LEU HD1 . 6864 1 1068 . 1 1 118 118 LEU HD21 H 1 0.780 0.01 . 2 . . . . 118 LEU HD2 . 6864 1 1069 . 1 1 118 118 LEU HD22 H 1 0.780 0.01 . 2 . . . . 118 LEU HD2 . 6864 1 1070 . 1 1 118 118 LEU HD23 H 1 0.780 0.01 . 2 . . . . 118 LEU HD2 . 6864 1 1071 . 1 1 118 118 LEU CA C 13 56.570 0.2 . 1 . . . . 118 LEU CA . 6864 1 1072 . 1 1 118 118 LEU CB C 13 40.950 0.2 . 1 . . . . 118 LEU CB . 6864 1 1073 . 1 1 118 118 LEU CG C 13 26.949 0.2 . 1 . . . . 118 LEU CG . 6864 1 1074 . 1 1 118 118 LEU CD1 C 13 24.000 0.2 . 1 . . . . 118 LEU CD1 . 6864 1 1075 . 1 1 118 118 LEU CD2 C 13 23.700 0.2 . 1 . . . . 118 LEU CD2 . 6864 1 1076 . 1 1 118 118 LEU N N 15 120.370 0.1 . 1 . . . . 118 LEU N . 6864 1 1077 . 1 1 119 119 ALA H H 1 7.701 0.01 . 1 . . . . 119 ALA HN . 6864 1 1078 . 1 1 119 119 ALA HA H 1 3.311 0.01 . 1 . . . . 119 ALA HA . 6864 1 1079 . 1 1 119 119 ALA HB1 H 1 0.915 0.01 . 1 . . . . 119 ALA HB . 6864 1 1080 . 1 1 119 119 ALA HB2 H 1 0.915 0.01 . 1 . . . . 119 ALA HB . 6864 1 1081 . 1 1 119 119 ALA HB3 H 1 0.915 0.01 . 1 . . . . 119 ALA HB . 6864 1 1082 . 1 1 119 119 ALA CA C 13 55.008 0.2 . 1 . . . . 119 ALA CA . 6864 1 1083 . 1 1 119 119 ALA CB C 13 18.940 0.2 . 1 . . . . 119 ALA CB . 6864 1 1084 . 1 1 119 119 ALA N N 15 121.777 0.1 . 1 . . . . 119 ALA N . 6864 1 1085 . 1 1 120 120 GLY H H 1 7.614 0.01 . 1 . . . . 120 GLY HN . 6864 1 1086 . 1 1 120 120 GLY HA2 H 1 3.604 0.01 . 2 . . . . 120 GLY HA1 . 6864 1 1087 . 1 1 120 120 GLY HA3 H 1 3.805 0.01 . 2 . . . . 120 GLY HA2 . 6864 1 1088 . 1 1 120 120 GLY CA C 13 46.359 0.2 . 1 . . . . 120 GLY CA . 6864 1 1089 . 1 1 120 120 GLY N N 15 104.108 0.1 . 1 . . . . 120 GLY N . 6864 1 1090 . 1 1 121 121 SER H H 1 8.090 0.01 . 1 . . . . 121 SER HN . 6864 1 1091 . 1 1 121 121 SER HA H 1 4.060 0.01 . 1 . . . . 121 SER HA . 6864 1 1092 . 1 1 121 121 SER HB2 H 1 3.830 0.01 . 2 . . . . 121 SER HB1 . 6864 1 1093 . 1 1 121 121 SER HB3 H 1 3.850 0.01 . 2 . . . . 121 SER HB2 . 6864 1 1094 . 1 1 121 121 SER CA C 13 61.052 0.2 . 1 . . . . 121 SER CA . 6864 1 1095 . 1 1 121 121 SER CB C 13 61.688 0.2 . 1 . . . . 121 SER CB . 6864 1 1096 . 1 1 121 121 SER N N 15 118.790 0.1 . 1 . . . . 121 SER N . 6864 1 1097 . 1 1 122 122 PHE H H 1 9.195 0.01 . 1 . . . . 122 PHE HN . 6864 1 1098 . 1 1 122 122 PHE HA H 1 4.077 0.01 . 1 . . . . 122 PHE HA . 6864 1 1099 . 1 1 122 122 PHE HB2 H 1 3.163 0.01 . 1 . . . . 122 PHE HB1 . 6864 1 1100 . 1 1 122 122 PHE HB3 H 1 3.163 0.01 . 1 . . . . 122 PHE HB2 . 6864 1 1101 . 1 1 122 122 PHE CA C 13 60.850 0.2 . 1 . . . . 122 PHE CA . 6864 1 1102 . 1 1 122 122 PHE CB C 13 38.892 0.2 . 1 . . . . 122 PHE CB . 6864 1 1103 . 1 1 122 122 PHE N N 15 123.530 0.1 . 1 . . . . 122 PHE N . 6864 1 1104 . 1 1 123 123 ALA H H 1 8.553 0.01 . 1 . . . . 123 ALA HN . 6864 1 1105 . 1 1 123 123 ALA HA H 1 3.629 0.01 . 1 . . . . 123 ALA HA . 6864 1 1106 . 1 1 123 123 ALA HB1 H 1 1.338 0.01 . 1 . . . . 123 ALA HB . 6864 1 1107 . 1 1 123 123 ALA HB2 H 1 1.338 0.01 . 1 . . . . 123 ALA HB . 6864 1 1108 . 1 1 123 123 ALA HB3 H 1 1.338 0.01 . 1 . . . . 123 ALA HB . 6864 1 1109 . 1 1 123 123 ALA CA C 13 54.892 0.2 . 1 . . . . 123 ALA CA . 6864 1 1110 . 1 1 123 123 ALA CB C 13 18.021 0.2 . 1 . . . . 123 ALA CB . 6864 1 1111 . 1 1 123 123 ALA N N 15 121.066 0.1 . 1 . . . . 123 ALA N . 6864 1 1112 . 1 1 124 124 ARG H H 1 7.936 0.01 . 1 . . . . 124 ARG HN . 6864 1 1113 . 1 1 124 124 ARG HA H 1 3.849 0.01 . 1 . . . . 124 ARG HA . 6864 1 1114 . 1 1 124 124 ARG HB2 H 1 1.710 0.01 . 2 . . . . 124 ARG HB1 . 6864 1 1115 . 1 1 124 124 ARG HB3 H 1 1.791 0.01 . 2 . . . . 124 ARG HB2 . 6864 1 1116 . 1 1 124 124 ARG HG2 H 1 1.420 0.01 . 2 . . . . 124 ARG HG1 . 6864 1 1117 . 1 1 124 124 ARG HG3 H 1 1.730 0.01 . 2 . . . . 124 ARG HG2 . 6864 1 1118 . 1 1 124 124 ARG HD2 H 1 3.020 0.01 . 2 . . . . 124 ARG HD1 . 6864 1 1119 . 1 1 124 124 ARG HD3 H 1 3.143 0.01 . 2 . . . . 124 ARG HD2 . 6864 1 1120 . 1 1 124 124 ARG CA C 13 58.961 0.2 . 1 . . . . 124 ARG CA . 6864 1 1121 . 1 1 124 124 ARG CB C 13 29.399 0.2 . 1 . . . . 124 ARG CB . 6864 1 1122 . 1 1 124 124 ARG CG C 13 27.312 0.2 . 1 . . . . 124 ARG CG . 6864 1 1123 . 1 1 124 124 ARG CD C 13 42.537 0.2 . 1 . . . . 124 ARG CD . 6864 1 1124 . 1 1 124 124 ARG N N 15 117.763 0.1 . 1 . . . . 124 ARG N . 6864 1 1125 . 1 1 125 125 ALA H H 1 7.900 0.01 . 1 . . . . 125 ALA HN . 6864 1 1126 . 1 1 125 125 ALA HA H 1 4.078 0.01 . 1 . . . . 125 ALA HA . 6864 1 1127 . 1 1 125 125 ALA HB1 H 1 1.297 0.01 . 1 . . . . 125 ALA HB . 6864 1 1128 . 1 1 125 125 ALA HB2 H 1 1.297 0.01 . 1 . . . . 125 ALA HB . 6864 1 1129 . 1 1 125 125 ALA HB3 H 1 1.297 0.01 . 1 . . . . 125 ALA HB . 6864 1 1130 . 1 1 125 125 ALA CA C 13 53.950 0.2 . 1 . . . . 125 ALA CA . 6864 1 1131 . 1 1 125 125 ALA CB C 13 17.350 0.2 . 1 . . . . 125 ALA CB . 6864 1 1132 . 1 1 125 125 ALA N N 15 122.130 0.1 . 1 . . . . 125 ALA N . 6864 1 1133 . 1 1 126 126 LEU H H 1 8.438 0.01 . 1 . . . . 126 LEU HN . 6864 1 1134 . 1 1 126 126 LEU HA H 1 3.529 0.01 . 1 . . . . 126 LEU HA . 6864 1 1135 . 1 1 126 126 LEU HB2 H 1 1.120 0.01 . 1 . . . . 126 LEU HB1 . 6864 1 1136 . 1 1 126 126 LEU HB3 H 1 1.120 0.01 . 1 . . . . 126 LEU HB2 . 6864 1 1137 . 1 1 126 126 LEU HG H 1 1.150 0.01 . 1 . . . . 126 LEU HG . 6864 1 1138 . 1 1 126 126 LEU HD11 H 1 0.510 0.01 . 2 . . . . 126 LEU HD1 . 6864 1 1139 . 1 1 126 126 LEU HD12 H 1 0.510 0.01 . 2 . . . . 126 LEU HD1 . 6864 1 1140 . 1 1 126 126 LEU HD13 H 1 0.510 0.01 . 2 . . . . 126 LEU HD1 . 6864 1 1141 . 1 1 126 126 LEU HD21 H 1 0.375 0.01 . 2 . . . . 126 LEU HD2 . 6864 1 1142 . 1 1 126 126 LEU HD22 H 1 0.375 0.01 . 2 . . . . 126 LEU HD2 . 6864 1 1143 . 1 1 126 126 LEU HD23 H 1 0.375 0.01 . 2 . . . . 126 LEU HD2 . 6864 1 1144 . 1 1 126 126 LEU CA C 13 57.240 0.2 . 1 . . . . 126 LEU CA . 6864 1 1145 . 1 1 126 126 LEU CB C 13 41.169 0.2 . 1 . . . . 126 LEU CB . 6864 1 1146 . 1 1 126 126 LEU CG C 13 25.600 0.2 . 1 . . . . 126 LEU CG . 6864 1 1147 . 1 1 126 126 LEU CD1 C 13 25.067 0.2 . 1 . . . . 126 LEU CD1 . 6864 1 1148 . 1 1 126 126 LEU CD2 C 13 25.466 0.2 . 1 . . . . 126 LEU CD2 . 6864 1 1149 . 1 1 126 126 LEU N N 15 121.040 0.1 . 1 . . . . 126 LEU N . 6864 1 1150 . 1 1 127 127 SER H H 1 8.009 0.01 . 1 . . . . 127 SER HN . 6864 1 1151 . 1 1 127 127 SER HA H 1 3.830 0.01 . 1 . . . . 127 SER HA . 6864 1 1152 . 1 1 127 127 SER HB2 H 1 3.695 0.01 . 2 . . . . 127 SER HB1 . 6864 1 1153 . 1 1 127 127 SER HB3 H 1 3.806 0.01 . 2 . . . . 127 SER HB2 . 6864 1 1154 . 1 1 127 127 SER CA C 13 62.050 0.2 . 1 . . . . 127 SER CA . 6864 1 1155 . 1 1 127 127 SER CB C 13 62.150 0.2 . 1 . . . . 127 SER CB . 6864 1 1156 . 1 1 127 127 SER N N 15 113.700 0.1 . 1 . . . . 127 SER N . 6864 1 1157 . 1 1 128 128 ALA H H 1 7.890 0.01 . 1 . . . . 128 ALA HN . 6864 1 1158 . 1 1 128 128 ALA HA H 1 3.981 0.01 . 1 . . . . 128 ALA HA . 6864 1 1159 . 1 1 128 128 ALA HB1 H 1 1.304 0.01 . 1 . . . . 128 ALA HB . 6864 1 1160 . 1 1 128 128 ALA HB2 H 1 1.304 0.01 . 1 . . . . 128 ALA HB . 6864 1 1161 . 1 1 128 128 ALA HB3 H 1 1.304 0.01 . 1 . . . . 128 ALA HB . 6864 1 1162 . 1 1 128 128 ALA CA C 13 54.195 0.2 . 1 . . . . 128 ALA CA . 6864 1 1163 . 1 1 128 128 ALA CB C 13 17.070 0.2 . 1 . . . . 128 ALA CB . 6864 1 1164 . 1 1 128 128 ALA N N 15 122.345 0.1 . 1 . . . . 128 ALA N . 6864 1 1165 . 1 1 129 129 SER H H 1 7.825 0.01 . 1 . . . . 129 SER HN . 6864 1 1166 . 1 1 129 129 SER HA H 1 4.111 0.01 . 1 . . . . 129 SER HA . 6864 1 1167 . 1 1 129 129 SER HB2 H 1 3.846 0.01 . 1 . . . . 129 SER HB1 . 6864 1 1168 . 1 1 129 129 SER HB3 H 1 3.846 0.01 . 1 . . . . 129 SER HB2 . 6864 1 1169 . 1 1 129 129 SER CA C 13 60.974 0.2 . 1 . . . . 129 SER CA . 6864 1 1170 . 1 1 129 129 SER CB C 13 62.287 0.2 . 1 . . . . 129 SER CB . 6864 1 1171 . 1 1 129 129 SER N N 15 114.260 0.1 . 1 . . . . 129 SER N . 6864 1 1172 . 1 1 130 130 ALA H H 1 8.144 0.01 . 1 . . . . 130 ALA HN . 6864 1 1173 . 1 1 130 130 ALA HA H 1 3.706 0.01 . 1 . . . . 130 ALA HA . 6864 1 1174 . 1 1 130 130 ALA HB1 H 1 1.141 0.01 . 1 . . . . 130 ALA HB . 6864 1 1175 . 1 1 130 130 ALA HB2 H 1 1.141 0.01 . 1 . . . . 130 ALA HB . 6864 1 1176 . 1 1 130 130 ALA HB3 H 1 1.141 0.01 . 1 . . . . 130 ALA HB . 6864 1 1177 . 1 1 130 130 ALA CA C 13 54.160 0.2 . 1 . . . . 130 ALA CA . 6864 1 1178 . 1 1 130 130 ALA CB C 13 16.670 0.2 . 1 . . . . 130 ALA CB . 6864 1 1179 . 1 1 130 130 ALA N N 15 123.200 0.1 . 1 . . . . 130 ALA N . 6864 1 1180 . 1 1 131 131 GLU H H 1 7.867 0.01 . 1 . . . . 131 GLU HN . 6864 1 1181 . 1 1 131 131 GLU HA H 1 3.905 0.01 . 1 . . . . 131 GLU HA . 6864 1 1182 . 1 1 131 131 GLU HB2 H 1 1.940 0.01 . 2 . . . . 131 GLU HB1 . 6864 1 1183 . 1 1 131 131 GLU HB3 H 1 1.950 0.01 . 2 . . . . 131 GLU HB2 . 6864 1 1184 . 1 1 131 131 GLU HG2 H 1 2.120 0.01 . 2 . . . . 131 GLU HG1 . 6864 1 1185 . 1 1 131 131 GLU HG3 H 1 2.174 0.01 . 2 . . . . 131 GLU HG2 . 6864 1 1186 . 1 1 131 131 GLU CA C 13 57.877 0.2 . 1 . . . . 131 GLU CA . 6864 1 1187 . 1 1 131 131 GLU CB C 13 28.993 0.2 . 1 . . . . 131 GLU CB . 6864 1 1188 . 1 1 131 131 GLU CG C 13 35.404 0.2 . 1 . . . . 131 GLU CG . 6864 1 1189 . 1 1 131 131 GLU N N 15 118.052 0.1 . 1 . . . . 131 GLU N . 6864 1 1190 . 1 1 132 132 SER H H 1 7.645 0.01 . 1 . . . . 132 SER HN . 6864 1 1191 . 1 1 132 132 SER HA H 1 4.194 0.01 . 1 . . . . 132 SER HA . 6864 1 1192 . 1 1 132 132 SER HB2 H 1 3.790 0.01 . 2 . . . . 132 SER HB1 . 6864 1 1193 . 1 1 132 132 SER HB3 H 1 3.820 0.01 . 2 . . . . 132 SER HB2 . 6864 1 1194 . 1 1 132 132 SER CA C 13 59.110 0.2 . 1 . . . . 132 SER CA . 6864 1 1195 . 1 1 132 132 SER CB C 13 62.645 0.2 . 1 . . . . 132 SER CB . 6864 1 1196 . 1 1 132 132 SER N N 15 113.209 0.1 . 1 . . . . 132 SER N . 6864 1 1197 . 1 1 133 133 GLN H H 1 7.733 0.01 . 1 . . . . 133 GLN HN . 6864 1 1198 . 1 1 133 133 GLN HA H 1 3.982 0.01 . 1 . . . . 133 GLN HA . 6864 1 1199 . 1 1 133 133 GLN HB2 H 1 1.744 0.01 . 2 . . . . 133 GLN HB1 . 6864 1 1200 . 1 1 133 133 GLN HB3 H 1 1.883 0.01 . 2 . . . . 133 GLN HB2 . 6864 1 1201 . 1 1 133 133 GLN HG2 H 1 2.061 0.01 . 2 . . . . 133 GLN HG1 . 6864 1 1202 . 1 1 133 133 GLN HG3 H 1 2.207 0.01 . 2 . . . . 133 GLN HG2 . 6864 1 1203 . 1 1 133 133 GLN HE21 H 1 7.211 0.01 . 2 . . . . 133 GLN HE21 . 6864 1 1204 . 1 1 133 133 GLN HE22 H 1 6.542 0.01 . 2 . . . . 133 GLN HE22 . 6864 1 1205 . 1 1 133 133 GLN CA C 13 55.688 0.2 . 1 . . . . 133 GLN CA . 6864 1 1206 . 1 1 133 133 GLN CB C 13 27.536 0.2 . 1 . . . . 133 GLN CB . 6864 1 1207 . 1 1 133 133 GLN CG C 13 32.846 0.2 . 1 . . . . 133 GLN CG . 6864 1 1208 . 1 1 133 133 GLN N N 15 120.153 0.1 . 1 . . . . 133 GLN N . 6864 1 1209 . 1 1 133 133 GLN NE2 N 15 112.208 0.1 . 1 . . . . 133 GLN NE2 . 6864 1 1210 . 1 1 134 134 SER H H 1 7.888 0.01 . 1 . . . . 134 SER HN . 6864 1 1211 . 1 1 134 134 SER HA H 1 4.116 0.01 . 1 . . . . 134 SER HA . 6864 1 1212 . 1 1 134 134 SER HB2 H 1 3.635 0.01 . 2 . . . . 134 SER HB1 . 6864 1 1213 . 1 1 134 134 SER HB3 H 1 3.655 0.01 . 2 . . . . 134 SER HB2 . 6864 1 1214 . 1 1 134 134 SER CA C 13 58.569 0.2 . 1 . . . . 134 SER CA . 6864 1 1215 . 1 1 134 134 SER CB C 13 62.522 0.2 . 1 . . . . 134 SER CB . 6864 1 1216 . 1 1 134 134 SER N N 15 115.353 0.1 . 1 . . . . 134 SER N . 6864 1 1217 . 1 1 135 135 PHE H H 1 7.933 0.01 . 1 . . . . 135 PHE HN . 6864 1 1218 . 1 1 135 135 PHE HA H 1 4.369 0.01 . 1 . . . . 135 PHE HA . 6864 1 1219 . 1 1 135 135 PHE HB2 H 1 2.900 0.01 . 2 . . . . 135 PHE HB1 . 6864 1 1220 . 1 1 135 135 PHE HB3 H 1 2.990 0.01 . 2 . . . . 135 PHE HB2 . 6864 1 1221 . 1 1 135 135 PHE HD1 H 1 7.045 0.01 . 1 . . . . 135 PHE HD1 . 6864 1 1222 . 1 1 135 135 PHE HD2 H 1 7.045 0.01 . 1 . . . . 135 PHE HD2 . 6864 1 1223 . 1 1 135 135 PHE CA C 13 57.873 0.2 . 1 . . . . 135 PHE CA . 6864 1 1224 . 1 1 135 135 PHE CB C 13 38.322 0.2 . 1 . . . . 135 PHE CB . 6864 1 1225 . 1 1 135 135 PHE CD1 C 13 130.900 0.2 . 1 . . . . 135 PHE CD1 . 6864 1 1226 . 1 1 135 135 PHE CD2 C 13 130.900 0.2 . 1 . . . . 135 PHE CD2 . 6864 1 1227 . 1 1 135 135 PHE N N 15 122.039 0.1 . 1 . . . . 135 PHE N . 6864 1 1228 . 1 1 136 136 ALA H H 1 7.940 0.01 . 1 . . . . 136 ALA HN . 6864 1 1229 . 1 1 136 136 ALA HA H 1 3.976 0.01 . 1 . . . . 136 ALA HA . 6864 1 1230 . 1 1 136 136 ALA HB1 H 1 1.208 0.01 . 1 . . . . 136 ALA HB . 6864 1 1231 . 1 1 136 136 ALA HB2 H 1 1.208 0.01 . 1 . . . . 136 ALA HB . 6864 1 1232 . 1 1 136 136 ALA HB3 H 1 1.208 0.01 . 1 . . . . 136 ALA HB . 6864 1 1233 . 1 1 136 136 ALA CA C 13 52.583 0.2 . 1 . . . . 136 ALA CA . 6864 1 1234 . 1 1 136 136 ALA CB C 13 17.853 0.2 . 1 . . . . 136 ALA CB . 6864 1 1235 . 1 1 136 136 ALA N N 15 123.522 0.1 . 1 . . . . 136 ALA N . 6864 1 1236 . 1 1 137 137 GLN H H 1 8.011 0.01 . 1 . . . . 137 GLN HN . 6864 1 1237 . 1 1 137 137 GLN HA H 1 4.081 0.01 . 1 . . . . 137 GLN HA . 6864 1 1238 . 1 1 137 137 GLN HB2 H 1 1.868 0.01 . 2 . . . . 137 GLN HB1 . 6864 1 1239 . 1 1 137 137 GLN HB3 H 1 1.978 0.01 . 2 . . . . 137 GLN HB2 . 6864 1 1240 . 1 1 137 137 GLN HG2 H 1 2.208 0.01 . 1 . . . . 137 GLN HG1 . 6864 1 1241 . 1 1 137 137 GLN HG3 H 1 2.208 0.01 . 1 . . . . 137 GLN HG2 . 6864 1 1242 . 1 1 137 137 GLN CA C 13 55.729 0.2 . 1 . . . . 137 GLN CA . 6864 1 1243 . 1 1 137 137 GLN CB C 13 28.254 0.2 . 1 . . . . 137 GLN CB . 6864 1 1244 . 1 1 137 137 GLN CG C 13 33.061 0.2 . 1 . . . . 137 GLN CG . 6864 1 1245 . 1 1 137 137 GLN N N 15 118.336 0.1 . 1 . . . . 137 GLN N . 6864 1 1246 . 1 1 138 138 SER H H 1 8.045 0.01 . 1 . . . . 138 SER HN . 6864 1 1247 . 1 1 138 138 SER HA H 1 4.205 0.01 . 1 . . . . 138 SER HA . 6864 1 1248 . 1 1 138 138 SER HB2 H 1 3.733 0.01 . 2 . . . . 138 SER HB1 . 6864 1 1249 . 1 1 138 138 SER HB3 H 1 3.790 0.01 . 2 . . . . 138 SER HB2 . 6864 1 1250 . 1 1 138 138 SER CA C 13 58.400 0.2 . 1 . . . . 138 SER CA . 6864 1 1251 . 1 1 138 138 SER CB C 13 62.822 0.2 . 1 . . . . 138 SER CB . 6864 1 1252 . 1 1 138 138 SER N N 15 116.244 0.1 . 1 . . . . 138 SER N . 6864 1 1253 . 1 1 139 139 GLN H H 1 8.183 0.01 . 1 . . . . 139 GLN HN . 6864 1 1254 . 1 1 139 139 GLN HA H 1 4.047 0.01 . 1 . . . . 139 GLN HA . 6864 1 1255 . 1 1 139 139 GLN HB2 H 1 1.755 0.01 . 2 . . . . 139 GLN HB1 . 6864 1 1256 . 1 1 139 139 GLN HB3 H 1 1.889 0.01 . 2 . . . . 139 GLN HB2 . 6864 1 1257 . 1 1 139 139 GLN HG2 H 1 2.082 0.01 . 1 . . . . 139 GLN HG1 . 6864 1 1258 . 1 1 139 139 GLN HG3 H 1 2.082 0.01 . 1 . . . . 139 GLN HG2 . 6864 1 1259 . 1 1 139 139 GLN HE21 H 1 7.274 0.01 . 2 . . . . 139 GLN HE21 . 6864 1 1260 . 1 1 139 139 GLN HE22 H 1 6.700 0.01 . 2 . . . . 139 GLN HE22 . 6864 1 1261 . 1 1 139 139 GLN CA C 13 55.750 0.2 . 1 . . . . 139 GLN CA . 6864 1 1262 . 1 1 139 139 GLN CB C 13 28.270 0.2 . 1 . . . . 139 GLN CB . 6864 1 1263 . 1 1 139 139 GLN CG C 13 33.031 0.2 . 1 . . . . 139 GLN CG . 6864 1 1264 . 1 1 139 139 GLN N N 15 121.817 0.1 . 1 . . . . 139 GLN N . 6864 1 1265 . 1 1 139 139 GLN NE2 N 15 112.723 0.1 . 1 . . . . 139 GLN NE2 . 6864 1 1266 . 1 1 140 140 ALA H H 1 7.962 0.01 . 1 . . . . 140 ALA HN . 6864 1 1267 . 1 1 140 140 ALA HA H 1 4.017 0.01 . 1 . . . . 140 ALA HA . 6864 1 1268 . 1 1 140 140 ALA HB1 H 1 1.160 0.01 . 1 . . . . 140 ALA HB . 6864 1 1269 . 1 1 140 140 ALA HB2 H 1 1.160 0.01 . 1 . . . . 140 ALA HB . 6864 1 1270 . 1 1 140 140 ALA HB3 H 1 1.160 0.01 . 1 . . . . 140 ALA HB . 6864 1 1271 . 1 1 140 140 ALA CA C 13 52.599 0.2 . 1 . . . . 140 ALA CA . 6864 1 1272 . 1 1 140 140 ALA CB C 13 17.907 0.2 . 1 . . . . 140 ALA CB . 6864 1 1273 . 1 1 140 140 ALA N N 15 123.420 0.1 . 1 . . . . 140 ALA N . 6864 1 1274 . 1 1 141 141 TYR H H 1 7.873 0.01 . 1 . . . . 141 TYR HN . 6864 1 1275 . 1 1 141 141 TYR HA H 1 4.240 0.01 . 1 . . . . 141 TYR HA . 6864 1 1276 . 1 1 141 141 TYR HB2 H 1 2.837 0.01 . 1 . . . . 141 TYR HB1 . 6864 1 1277 . 1 1 141 141 TYR HB3 H 1 2.837 0.01 . 1 . . . . 141 TYR HB2 . 6864 1 1278 . 1 1 141 141 TYR HD1 H 1 6.890 0.01 . 1 . . . . 141 TYR HD1 . 6864 1 1279 . 1 1 141 141 TYR HD2 H 1 6.890 0.01 . 1 . . . . 141 TYR HD2 . 6864 1 1280 . 1 1 141 141 TYR HE1 H 1 6.613 0.01 . 1 . . . . 141 TYR HE1 . 6864 1 1281 . 1 1 141 141 TYR HE2 H 1 6.613 0.01 . 1 . . . . 141 TYR HE2 . 6864 1 1282 . 1 1 141 141 TYR CA C 13 57.879 0.2 . 1 . . . . 141 TYR CA . 6864 1 1283 . 1 1 141 141 TYR CB C 13 37.608 0.2 . 1 . . . . 141 TYR CB . 6864 1 1284 . 1 1 141 141 TYR CD1 C 13 132.491 0.2 . 1 . . . . 141 TYR CD1 . 6864 1 1285 . 1 1 141 141 TYR CD2 C 13 132.491 0.2 . 1 . . . . 141 TYR CD2 . 6864 1 1286 . 1 1 141 141 TYR CE1 C 13 117.426 0.2 . 1 . . . . 141 TYR CE1 . 6864 1 1287 . 1 1 141 141 TYR CE2 C 13 117.426 0.2 . 1 . . . . 141 TYR CE2 . 6864 1 1288 . 1 1 141 141 TYR N N 15 118.942 0.1 . 1 . . . . 141 TYR N . 6864 1 1289 . 1 1 142 142 GLN H H 1 7.955 0.01 . 1 . . . . 142 GLN HN . 6864 1 1290 . 1 1 142 142 GLN HA H 1 4.025 0.01 . 1 . . . . 142 GLN HA . 6864 1 1291 . 1 1 142 142 GLN HB2 H 1 1.837 0.01 . 2 . . . . 142 GLN HB1 . 6864 1 1292 . 1 1 142 142 GLN HB3 H 1 1.903 0.01 . 2 . . . . 142 GLN HB2 . 6864 1 1293 . 1 1 142 142 GLN HG2 H 1 2.174 0.01 . 1 . . . . 142 GLN HG1 . 6864 1 1294 . 1 1 142 142 GLN HG3 H 1 2.174 0.01 . 1 . . . . 142 GLN HG2 . 6864 1 1295 . 1 1 142 142 GLN CA C 13 55.691 0.2 . 1 . . . . 142 GLN CA . 6864 1 1296 . 1 1 142 142 GLN CB C 13 28.369 0.2 . 1 . . . . 142 GLN CB . 6864 1 1297 . 1 1 142 142 GLN CG C 13 32.974 0.2 . 1 . . . . 142 GLN CG . 6864 1 1298 . 1 1 142 142 GLN N N 15 121.351 0.1 . 1 . . . . 142 GLN N . 6864 1 1299 . 1 1 143 143 GLN H H 1 8.088 0.01 . 1 . . . . 143 GLN HN . 6864 1 1300 . 1 1 143 143 GLN HA H 1 4.022 0.01 . 1 . . . . 143 GLN HA . 6864 1 1301 . 1 1 143 143 GLN HB2 H 1 1.839 0.01 . 2 . . . . 143 GLN HB1 . 6864 1 1302 . 1 1 143 143 GLN HB3 H 1 1.923 0.01 . 2 . . . . 143 GLN HB2 . 6864 1 1303 . 1 1 143 143 GLN HG2 H 1 2.214 0.01 . 1 . . . . 143 GLN HG1 . 6864 1 1304 . 1 1 143 143 GLN HG3 H 1 2.214 0.01 . 1 . . . . 143 GLN HG2 . 6864 1 1305 . 1 1 143 143 GLN CA C 13 55.650 0.2 . 1 . . . . 143 GLN CA . 6864 1 1306 . 1 1 143 143 GLN CB C 13 28.349 0.2 . 1 . . . . 143 GLN CB . 6864 1 1307 . 1 1 143 143 GLN CG C 13 33.012 0.2 . 1 . . . . 143 GLN CG . 6864 1 1308 . 1 1 143 143 GLN N N 15 120.630 0.1 . 1 . . . . 143 GLN N . 6864 1 1309 . 1 1 144 144 ALA H H 1 8.099 0.01 . 1 . . . . 144 ALA HN . 6864 1 1310 . 1 1 144 144 ALA HA H 1 4.110 0.01 . 1 . . . . 144 ALA HA . 6864 1 1311 . 1 1 144 144 ALA HB1 H 1 1.243 0.01 . 1 . . . . 144 ALA HB . 6864 1 1312 . 1 1 144 144 ALA HB2 H 1 1.243 0.01 . 1 . . . . 144 ALA HB . 6864 1 1313 . 1 1 144 144 ALA HB3 H 1 1.243 0.01 . 1 . . . . 144 ALA HB . 6864 1 1314 . 1 1 144 144 ALA CA C 13 52.500 0.2 . 1 . . . . 144 ALA CA . 6864 1 1315 . 1 1 144 144 ALA CB C 13 17.990 0.2 . 1 . . . . 144 ALA CB . 6864 1 1316 . 1 1 144 144 ALA N N 15 124.450 0.1 . 1 . . . . 144 ALA N . 6864 1 1317 . 1 1 145 145 SER H H 1 8.105 0.01 . 1 . . . . 145 SER HN . 6864 1 1318 . 1 1 145 145 SER HA H 1 4.178 0.01 . 1 . . . . 145 SER HA . 6864 1 1319 . 1 1 145 145 SER HB2 H 1 3.658 0.01 . 2 . . . . 145 SER HB1 . 6864 1 1320 . 1 1 145 145 SER HB3 H 1 3.736 0.01 . 2 . . . . 145 SER HB2 . 6864 1 1321 . 1 1 145 145 SER CA C 13 58.200 0.2 . 1 . . . . 145 SER CA . 6864 1 1322 . 1 1 145 145 SER CB C 13 62.850 0.2 . 1 . . . . 145 SER CB . 6864 1 1323 . 1 1 145 145 SER N N 15 114.750 0.1 . 1 . . . . 145 SER N . 6864 1 1324 . 1 1 146 146 ALA H H 1 8.084 0.01 . 1 . . . . 146 ALA HN . 6864 1 1325 . 1 1 146 146 ALA HA H 1 4.046 0.01 . 1 . . . . 146 ALA HA . 6864 1 1326 . 1 1 146 146 ALA HB1 H 1 1.153 0.01 . 1 . . . . 146 ALA HB . 6864 1 1327 . 1 1 146 146 ALA HB2 H 1 1.153 0.01 . 1 . . . . 146 ALA HB . 6864 1 1328 . 1 1 146 146 ALA HB3 H 1 1.153 0.01 . 1 . . . . 146 ALA HB . 6864 1 1329 . 1 1 146 146 ALA CA C 13 52.691 0.2 . 1 . . . . 146 ALA CA . 6864 1 1330 . 1 1 146 146 ALA CB C 13 17.897 0.2 . 1 . . . . 146 ALA CB . 6864 1 1331 . 1 1 146 146 ALA N N 15 125.171 0.1 . 1 . . . . 146 ALA N . 6864 1 1332 . 1 1 147 147 PHE H H 1 7.936 0.01 . 1 . . . . 147 PHE HN . 6864 1 1333 . 1 1 147 147 PHE HA H 1 4.307 0.01 . 1 . . . . 147 PHE HA . 6864 1 1334 . 1 1 147 147 PHE HB2 H 1 2.902 0.01 . 2 . . . . 147 PHE HB1 . 6864 1 1335 . 1 1 147 147 PHE HB3 H 1 2.972 0.01 . 2 . . . . 147 PHE HB2 . 6864 1 1336 . 1 1 147 147 PHE HD1 H 1 7.068 0.01 . 1 . . . . 147 PHE HD1 . 6864 1 1337 . 1 1 147 147 PHE HD2 H 1 7.068 0.01 . 1 . . . . 147 PHE HD2 . 6864 1 1338 . 1 1 147 147 PHE CA C 13 57.871 0.2 . 1 . . . . 147 PHE CA . 6864 1 1339 . 1 1 147 147 PHE CB C 13 38.454 0.2 . 1 . . . . 147 PHE CB . 6864 1 1340 . 1 1 147 147 PHE CD1 C 13 130.900 0.2 . 1 . . . . 147 PHE CD1 . 6864 1 1341 . 1 1 147 147 PHE CD2 C 13 130.900 0.2 . 1 . . . . 147 PHE CD2 . 6864 1 1342 . 1 1 147 147 PHE N N 15 118.693 0.1 . 1 . . . . 147 PHE N . 6864 1 1343 . 1 1 148 148 GLN H H 1 7.955 0.01 . 1 . . . . 148 GLN HN . 6864 1 1344 . 1 1 148 148 GLN HA H 1 3.978 0.01 . 1 . . . . 148 GLN HA . 6864 1 1345 . 1 1 148 148 GLN HB2 H 1 1.786 0.01 . 2 . . . . 148 GLN HB1 . 6864 1 1346 . 1 1 148 148 GLN HB3 H 1 1.882 0.01 . 2 . . . . 148 GLN HB2 . 6864 1 1347 . 1 1 148 148 GLN HG2 H 1 2.120 0.01 . 1 . . . . 148 GLN HG1 . 6864 1 1348 . 1 1 148 148 GLN HG3 H 1 2.120 0.01 . 1 . . . . 148 GLN HG2 . 6864 1 1349 . 1 1 148 148 GLN CA C 13 55.691 0.2 . 1 . . . . 148 GLN CA . 6864 1 1350 . 1 1 148 148 GLN CB C 13 28.369 0.2 . 1 . . . . 148 GLN CB . 6864 1 1351 . 1 1 148 148 GLN CG C 13 32.969 0.2 . 1 . . . . 148 GLN CG . 6864 1 1352 . 1 1 148 148 GLN N N 15 121.351 0.1 . 1 . . . . 148 GLN N . 6864 1 1353 . 1 1 149 149 GLN H H 1 8.185 0.01 . 1 . . . . 149 GLN HN . 6864 1 1354 . 1 1 149 149 GLN HA H 1 4.022 0.01 . 1 . . . . 149 GLN HA . 6864 1 1355 . 1 1 149 149 GLN HB2 H 1 1.839 0.01 . 2 . . . . 149 GLN HB1 . 6864 1 1356 . 1 1 149 149 GLN HB3 H 1 1.923 0.01 . 2 . . . . 149 GLN HB2 . 6864 1 1357 . 1 1 149 149 GLN HG2 H 1 2.214 0.01 . 1 . . . . 149 GLN HG1 . 6864 1 1358 . 1 1 149 149 GLN HG3 H 1 2.214 0.01 . 1 . . . . 149 GLN HG2 . 6864 1 1359 . 1 1 149 149 GLN CA C 13 55.833 0.2 . 1 . . . . 149 GLN CA . 6864 1 1360 . 1 1 149 149 GLN CB C 13 28.357 0.2 . 1 . . . . 149 GLN CB . 6864 1 1361 . 1 1 149 149 GLN CG C 13 33.012 0.2 . 1 . . . . 149 GLN CG . 6864 1 1362 . 1 1 149 149 GLN N N 15 121.150 0.1 . 1 . . . . 149 GLN N . 6864 1 1363 . 1 1 150 150 ALA H H 1 8.100 0.01 . 1 . . . . 150 ALA HN . 6864 1 1364 . 1 1 150 150 ALA HA H 1 4.070 0.01 . 1 . . . . 150 ALA HA . 6864 1 1365 . 1 1 150 150 ALA HB1 H 1 1.243 0.01 . 1 . . . . 150 ALA HB . 6864 1 1366 . 1 1 150 150 ALA HB2 H 1 1.243 0.01 . 1 . . . . 150 ALA HB . 6864 1 1367 . 1 1 150 150 ALA HB3 H 1 1.243 0.01 . 1 . . . . 150 ALA HB . 6864 1 1368 . 1 1 150 150 ALA CA C 13 52.386 0.2 . 1 . . . . 150 ALA CA . 6864 1 1369 . 1 1 150 150 ALA CB C 13 17.990 0.2 . 1 . . . . 150 ALA CB . 6864 1 1370 . 1 1 150 150 ALA N N 15 124.530 0.1 . 1 . . . . 150 ALA N . 6864 1 1371 . 1 1 151 151 ALA H H 1 8.037 0.01 . 1 . . . . 151 ALA HN . 6864 1 1372 . 1 1 151 151 ALA HA H 1 4.049 0.01 . 1 . . . . 151 ALA HA . 6864 1 1373 . 1 1 151 151 ALA HB1 H 1 1.209 0.01 . 1 . . . . 151 ALA HB . 6864 1 1374 . 1 1 151 151 ALA HB2 H 1 1.209 0.01 . 1 . . . . 151 ALA HB . 6864 1 1375 . 1 1 151 151 ALA HB3 H 1 1.209 0.01 . 1 . . . . 151 ALA HB . 6864 1 1376 . 1 1 151 151 ALA CA C 13 52.270 0.2 . 1 . . . . 151 ALA CA . 6864 1 1377 . 1 1 151 151 ALA CB C 13 17.935 0.2 . 1 . . . . 151 ALA CB . 6864 1 1378 . 1 1 151 151 ALA N N 15 122.825 0.1 . 1 . . . . 151 ALA N . 6864 1 1379 . 1 1 152 152 ALA H H 1 8.012 0.01 . 1 . . . . 152 ALA HN . 6864 1 1380 . 1 1 152 152 ALA HA H 1 4.090 0.01 . 1 . . . . 152 ALA HA . 6864 1 1381 . 1 1 152 152 ALA HB1 H 1 1.253 0.01 . 1 . . . . 152 ALA HB . 6864 1 1382 . 1 1 152 152 ALA HB2 H 1 1.253 0.01 . 1 . . . . 152 ALA HB . 6864 1 1383 . 1 1 152 152 ALA HB3 H 1 1.253 0.01 . 1 . . . . 152 ALA HB . 6864 1 1384 . 1 1 152 152 ALA CA C 13 52.224 0.2 . 1 . . . . 152 ALA CA . 6864 1 1385 . 1 1 152 152 ALA CB C 13 18.010 0.2 . 1 . . . . 152 ALA CB . 6864 1 1386 . 1 1 152 152 ALA N N 15 122.580 0.1 . 1 . . . . 152 ALA N . 6864 1 1387 . 1 1 153 153 GLN H H 1 8.099 0.01 . 1 . . . . 153 GLN HN . 6864 1 1388 . 1 1 153 153 GLN HA H 1 4.136 0.01 . 1 . . . . 153 GLN HA . 6864 1 1389 . 1 1 153 153 GLN HB2 H 1 1.867 0.01 . 2 . . . . 153 GLN HB1 . 6864 1 1390 . 1 1 153 153 GLN HB3 H 1 1.972 0.01 . 2 . . . . 153 GLN HB2 . 6864 1 1391 . 1 1 153 153 GLN HG2 H 1 2.236 0.01 . 1 . . . . 153 GLN HG1 . 6864 1 1392 . 1 1 153 153 GLN HG3 H 1 2.236 0.01 . 1 . . . . 153 GLN HG2 . 6864 1 1393 . 1 1 153 153 GLN CA C 13 55.646 0.2 . 1 . . . . 153 GLN CA . 6864 1 1394 . 1 1 153 153 GLN CB C 13 28.443 0.2 . 1 . . . . 153 GLN CB . 6864 1 1395 . 1 1 153 153 GLN CG C 13 33.044 0.2 . 1 . . . . 153 GLN CG . 6864 1 1396 . 1 1 153 153 GLN N N 15 119.080 0.1 . 1 . . . . 153 GLN N . 6864 1 1397 . 1 1 154 154 SER H H 1 8.134 0.01 . 1 . . . . 154 SER HN . 6864 1 1398 . 1 1 154 154 SER HA H 1 4.225 0.01 . 1 . . . . 154 SER HA . 6864 1 1399 . 1 1 154 154 SER HB2 H 1 3.729 0.01 . 1 . . . . 154 SER HB1 . 6864 1 1400 . 1 1 154 154 SER HB3 H 1 3.729 0.01 . 1 . . . . 154 SER HB2 . 6864 1 1401 . 1 1 154 154 SER CA C 13 58.065 0.2 . 1 . . . . 154 SER CA . 6864 1 1402 . 1 1 154 154 SER CB C 13 62.901 0.2 . 1 . . . . 154 SER CB . 6864 1 1403 . 1 1 154 154 SER N N 15 116.534 0.1 . 1 . . . . 154 SER N . 6864 1 1404 . 1 1 155 155 ALA H H 1 8.160 0.01 . 1 . . . . 155 ALA HN . 6864 1 1405 . 1 1 155 155 ALA HA H 1 4.125 0.01 . 1 . . . . 155 ALA HA . 6864 1 1406 . 1 1 155 155 ALA HB1 H 1 1.251 0.01 . 1 . . . . 155 ALA HB . 6864 1 1407 . 1 1 155 155 ALA HB2 H 1 1.251 0.01 . 1 . . . . 155 ALA HB . 6864 1 1408 . 1 1 155 155 ALA HB3 H 1 1.251 0.01 . 1 . . . . 155 ALA HB . 6864 1 1409 . 1 1 155 155 ALA CA C 13 52.168 0.2 . 1 . . . . 155 ALA CA . 6864 1 1410 . 1 1 155 155 ALA CB C 13 18.070 0.2 . 1 . . . . 155 ALA CB . 6864 1 1411 . 1 1 155 155 ALA N N 15 125.607 0.1 . 1 . . . . 155 ALA N . 6864 1 1412 . 1 1 156 156 ALA H H 1 8.012 0.01 . 1 . . . . 156 ALA HN . 6864 1 1413 . 1 1 156 156 ALA HA H 1 4.105 0.01 . 1 . . . . 156 ALA HA . 6864 1 1414 . 1 1 156 156 ALA HB1 H 1 1.249 0.01 . 1 . . . . 156 ALA HB . 6864 1 1415 . 1 1 156 156 ALA HB2 H 1 1.249 0.01 . 1 . . . . 156 ALA HB . 6864 1 1416 . 1 1 156 156 ALA HB3 H 1 1.249 0.01 . 1 . . . . 156 ALA HB . 6864 1 1417 . 1 1 156 156 ALA CA C 13 52.224 0.2 . 1 . . . . 156 ALA CA . 6864 1 1418 . 1 1 156 156 ALA CB C 13 18.010 0.2 . 1 . . . . 156 ALA CB . 6864 1 1419 . 1 1 156 156 ALA N N 15 122.320 0.1 . 1 . . . . 156 ALA N . 6864 1 1420 . 1 1 157 157 GLN H H 1 8.079 0.01 . 1 . . . . 157 GLN HN . 6864 1 1421 . 1 1 157 157 GLN HA H 1 4.136 0.01 . 1 . . . . 157 GLN HA . 6864 1 1422 . 1 1 157 157 GLN HB2 H 1 1.867 0.01 . 2 . . . . 157 GLN HB1 . 6864 1 1423 . 1 1 157 157 GLN HB3 H 1 1.972 0.01 . 2 . . . . 157 GLN HB2 . 6864 1 1424 . 1 1 157 157 GLN HG2 H 1 2.236 0.01 . 1 . . . . 157 GLN HG1 . 6864 1 1425 . 1 1 157 157 GLN HG3 H 1 2.236 0.01 . 1 . . . . 157 GLN HG2 . 6864 1 1426 . 1 1 157 157 GLN CA C 13 55.472 0.2 . 1 . . . . 157 GLN CA . 6864 1 1427 . 1 1 157 157 GLN CB C 13 28.481 0.2 . 1 . . . . 157 GLN CB . 6864 1 1428 . 1 1 157 157 GLN CG C 13 33.044 0.2 . 1 . . . . 157 GLN CG . 6864 1 1429 . 1 1 157 157 GLN N N 15 118.946 0.1 . 1 . . . . 157 GLN N . 6864 1 1430 . 1 1 158 158 SER H H 1 8.116 0.01 . 1 . . . . 158 SER HN . 6864 1 1431 . 1 1 158 158 SER HA H 1 4.225 0.01 . 1 . . . . 158 SER HA . 6864 1 1432 . 1 1 158 158 SER HB2 H 1 3.729 0.01 . 1 . . . . 158 SER HB1 . 6864 1 1433 . 1 1 158 158 SER HB3 H 1 3.729 0.01 . 1 . . . . 158 SER HB2 . 6864 1 1434 . 1 1 158 158 SER CA C 13 57.980 0.2 . 1 . . . . 158 SER CA . 6864 1 1435 . 1 1 158 158 SER CB C 13 62.900 0.2 . 1 . . . . 158 SER CB . 6864 1 1436 . 1 1 158 158 SER N N 15 116.515 0.1 . 1 . . . . 158 SER N . 6864 1 1437 . 1 1 159 159 ALA H H 1 8.146 0.01 . 1 . . . . 159 ALA HN . 6864 1 1438 . 1 1 159 159 ALA HA H 1 4.192 0.01 . 1 . . . . 159 ALA HA . 6864 1 1439 . 1 1 159 159 ALA HB1 H 1 1.255 0.01 . 1 . . . . 159 ALA HB . 6864 1 1440 . 1 1 159 159 ALA HB2 H 1 1.255 0.01 . 1 . . . . 159 ALA HB . 6864 1 1441 . 1 1 159 159 ALA HB3 H 1 1.255 0.01 . 1 . . . . 159 ALA HB . 6864 1 1442 . 1 1 159 159 ALA CA C 13 51.931 0.2 . 1 . . . . 159 ALA CA . 6864 1 1443 . 1 1 159 159 ALA CB C 13 18.313 0.2 . 1 . . . . 159 ALA CB . 6864 1 1444 . 1 1 159 159 ALA N N 15 125.666 0.1 . 1 . . . . 159 ALA N . 6864 1 1445 . 1 1 160 160 SER H H 1 8.079 0.01 . 1 . . . . 160 SER HN . 6864 1 1446 . 1 1 160 160 SER HA H 1 4.250 0.01 . 1 . . . . 160 SER HA . 6864 1 1447 . 1 1 160 160 SER HB2 H 1 3.710 0.01 . 1 . . . . 160 SER HB1 . 6864 1 1448 . 1 1 160 160 SER HB3 H 1 3.710 0.01 . 1 . . . . 160 SER HB2 . 6864 1 1449 . 1 1 160 160 SER CA C 13 57.641 0.2 . 1 . . . . 160 SER CA . 6864 1 1450 . 1 1 160 160 SER CB C 13 62.913 0.2 . 1 . . . . 160 SER CB . 6864 1 1451 . 1 1 160 160 SER N N 15 114.824 0.1 . 1 . . . . 160 SER N . 6864 1 1452 . 1 1 161 161 ARG H H 1 8.135 0.01 . 1 . . . . 161 ARG HN . 6864 1 1453 . 1 1 161 161 ARG HA H 1 4.214 0.01 . 1 . . . . 161 ARG HA . 6864 1 1454 . 1 1 161 161 ARG HB2 H 1 1.587 0.01 . 2 . . . . 161 ARG HB1 . 6864 1 1455 . 1 1 161 161 ARG HB3 H 1 1.748 0.01 . 2 . . . . 161 ARG HB2 . 6864 1 1456 . 1 1 161 161 ARG HG2 H 1 1.485 0.01 . 1 . . . . 161 ARG HG1 . 6864 1 1457 . 1 1 161 161 ARG HG3 H 1 1.485 0.01 . 1 . . . . 161 ARG HG2 . 6864 1 1458 . 1 1 161 161 ARG HD2 H 1 3.035 0.01 . 1 . . . . 161 ARG HD1 . 6864 1 1459 . 1 1 161 161 ARG HD3 H 1 3.035 0.01 . 1 . . . . 161 ARG HD2 . 6864 1 1460 . 1 1 161 161 ARG CA C 13 55.089 0.2 . 1 . . . . 161 ARG CA . 6864 1 1461 . 1 1 161 161 ARG CB C 13 30.052 0.2 . 1 . . . . 161 ARG CB . 6864 1 1462 . 1 1 161 161 ARG CG C 13 26.134 0.2 . 1 . . . . 161 ARG CG . 6864 1 1463 . 1 1 161 161 ARG CD C 13 42.540 0.2 . 1 . . . . 161 ARG CD . 6864 1 1464 . 1 1 161 161 ARG N N 15 123.448 0.1 . 1 . . . . 161 ARG N . 6864 1 1465 . 1 1 162 162 ALA H H 1 7.852 0.01 . 1 . . . . 162 ALA HN . 6864 1 1466 . 1 1 162 162 ALA HA H 1 3.952 0.01 . 1 . . . . 162 ALA HA . 6864 1 1467 . 1 1 162 162 ALA HB1 H 1 1.172 0.01 . 1 . . . . 162 ALA HB1 . 6864 1 1468 . 1 1 162 162 ALA HB2 H 1 1.172 0.01 . 1 . . . . 162 ALA HB1 . 6864 1 1469 . 1 1 162 162 ALA HB3 H 1 1.172 0.01 . 1 . . . . 162 ALA HB1 . 6864 1 1470 . 1 1 162 162 ALA CA C 13 52.974 0.2 . 1 . . . . 162 ALA CA . 6864 1 1471 . 1 1 162 162 ALA CB C 13 19.189 0.2 . 1 . . . . 162 ALA CB . 6864 1 1472 . 1 1 162 162 ALA N N 15 130.961 0.1 . 1 . . . . 162 ALA N . 6864 1 stop_ save_