data_17325 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17325 _Entry.Title ; 1H, 13C and 15N resonance assignment of the 117 residue fragment of Engrailed 2, a partially disordered protein. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-11-27 _Entry.Accession_date 2010-11-27 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Rafal Augustyniak . . . 17325 2 Fabien Ferrage . . . 17325 3 Geoffrey Bodenhausen . . . 17325 4 Olivier Lequin . . . 17325 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Laboratoire de Biomolecules, NMR group' . 17325 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17325 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 520 17325 '15N chemical shifts' 127 17325 '1H chemical shifts' 792 17325 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 . . 2012-03-12 2010-11-27 update BMRB 'update entry citation' 17325 1 . . 2011-05-05 2010-11-27 original author 'original release' 17325 stop_ save_ ############### # Citations # ############### save_Primary_reference _Citation.Sf_category citations _Citation.Sf_framecode Primary_reference _Citation.Entry_ID 17325 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21516336 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N resonance assignment of a 114-residue fragment of Engrailed 2 homeoprotein, a partially disordered protein.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 5 _Citation.Journal_issue 2 _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 229 _Citation.Page_last 231 _Citation.Year 2011 _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 Rafal Augustyniak . . . 17325 1 2 Stephane Balayssac . . . 17325 1 3 Fabien Ferrage . . . 17325 1 4 Geoffrey Bodenhausen . . . 17325 1 5 Olivier Lequin . . . 17325 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17325 _Assembly.ID 1 _Assembly.Name 'Engrailed 2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 13457.1 _Assembly.Enzyme_commission_number . _Assembly.Details 'Engrailed 2 homeodomain with N-terminal extension' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Engrailed 2' 1 $Engrailed_2 A . yes native no no . . . 17325 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Engrailed_2 _Entity.Sf_category entity _Entity.Sf_framecode Engrailed_2 _Entity.Entry_ID 17325 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Engrailed_2 _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 ; GPMELSVSSDSDSSQAGSNA GNQPMLWPAWVYCTRYSDRP SSGPRSRKPKKKNPNKEDKR PRTAFTAEQLQRLKAEFQTN RYLTEQRRQSLAQELGLNES QIKIWFQNKRAKIKKAT ; _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 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Homeodomain with N-terminal extension' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13457.1 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAE34186 . "unnamed protein product [Mus musculus]" . . . . . 82.91 324 97.94 97.94 3.84e-52 . . . . 17325 1 2 no EMBL CAA68362 . "homoebox protein En-2 [Mus musculus]" . . . . . 80.34 124 98.94 98.94 1.54e-60 . . . . 17325 1 3 no GB AAA53438 . "engrailed protein, partial [Gallus gallus]" . . . . . 63.25 104 100.00 100.00 1.69e-43 . . . . 17325 1 4 no GB AAA53527 . "engrailed protein [Mus musculus]" . . . . . 82.91 324 97.94 97.94 3.84e-52 . . . . 17325 1 5 no GB AAF68670 . "homeobox protein En-2 [Homo sapiens]" . . . . . 63.25 104 98.65 98.65 2.64e-42 . . . . 17325 1 6 no GB AAI41439 . "Engrailed 2, partial [synthetic construct]" . . . . . 82.91 324 97.94 97.94 3.84e-52 . . . . 17325 1 7 no GB AAI46582 . "Engrailed 2 [synthetic construct]" . . . . . 82.91 324 97.94 97.94 3.84e-52 . . . . 17325 1 8 no REF NP_001102684 . "homeobox protein engrailed-2 [Rattus norvegicus]" . . . . . 82.91 323 97.94 97.94 3.63e-52 . . . . 17325 1 9 no REF NP_001254648 . "homeobox protein engrailed-2 [Gallus gallus]" . . . . . 97.44 289 100.00 100.00 1.27e-75 . . . . 17325 1 10 no REF NP_034264 . "homeobox protein engrailed-2 [Mus musculus]" . . . . . 82.91 324 97.94 97.94 3.84e-52 . . . . 17325 1 11 no REF XP_002187765 . "PREDICTED: homeobox protein engrailed-2 [Taeniopygia guttata]" . . . . . 97.44 265 98.25 99.12 1.09e-73 . . . . 17325 1 12 no REF XP_002687029 . "PREDICTED: homeobox protein engrailed-2 [Bos taurus]" . . . . . 84.62 375 96.97 96.97 4.53e-52 . . . . 17325 1 13 no SP P09066 . "RecName: Full=Homeobox protein engrailed-2; Short=Homeobox protein en-2; Short=Mo-En-2" . . . . . 82.91 324 97.94 97.94 3.84e-52 . . . . 17325 1 14 no SP Q05917 . "RecName: Full=Homeobox protein engrailed-2; Short=Gg-En-2; Short=Homeobox protein en-2" . . . . . 97.44 289 100.00 100.00 1.27e-75 . . . . 17325 1 15 no TPG DAA30339 . "TPA: engrailed homeobox 2-like [Bos taurus]" . . . . . 84.62 375 96.97 96.97 4.53e-52 . . . . 17325 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'transcription factor' 17325 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 . 17325 1 2 . PRO . 17325 1 3 . MET . 17325 1 4 . GLU . 17325 1 5 . LEU . 17325 1 6 . SER . 17325 1 7 . VAL . 17325 1 8 . SER . 17325 1 9 . SER . 17325 1 10 . ASP . 17325 1 11 . SER . 17325 1 12 . ASP . 17325 1 13 . SER . 17325 1 14 . SER . 17325 1 15 . GLN . 17325 1 16 . ALA . 17325 1 17 . GLY . 17325 1 18 . SER . 17325 1 19 . ASN . 17325 1 20 . ALA . 17325 1 21 . GLY . 17325 1 22 . ASN . 17325 1 23 . GLN . 17325 1 24 . PRO . 17325 1 25 . MET . 17325 1 26 . LEU . 17325 1 27 . TRP . 17325 1 28 . PRO . 17325 1 29 . ALA . 17325 1 30 . TRP . 17325 1 31 . VAL . 17325 1 32 . TYR . 17325 1 33 . CYS . 17325 1 34 . THR . 17325 1 35 . ARG . 17325 1 36 . TYR . 17325 1 37 . SER . 17325 1 38 . ASP . 17325 1 39 . ARG . 17325 1 40 . PRO . 17325 1 41 . SER . 17325 1 42 . SER . 17325 1 43 . GLY . 17325 1 44 . PRO . 17325 1 45 . ARG . 17325 1 46 . SER . 17325 1 47 . ARG . 17325 1 48 . LYS . 17325 1 49 . PRO . 17325 1 50 . LYS . 17325 1 51 . LYS . 17325 1 52 . LYS . 17325 1 53 . ASN . 17325 1 54 . PRO . 17325 1 55 . ASN . 17325 1 56 . LYS . 17325 1 57 . GLU . 17325 1 58 . ASP . 17325 1 59 . LYS . 17325 1 60 . ARG . 17325 1 61 . PRO . 17325 1 62 . ARG . 17325 1 63 . THR . 17325 1 64 . ALA . 17325 1 65 . PHE . 17325 1 66 . THR . 17325 1 67 . ALA . 17325 1 68 . GLU . 17325 1 69 . GLN . 17325 1 70 . LEU . 17325 1 71 . GLN . 17325 1 72 . ARG . 17325 1 73 . LEU . 17325 1 74 . LYS . 17325 1 75 . ALA . 17325 1 76 . GLU . 17325 1 77 . PHE . 17325 1 78 . GLN . 17325 1 79 . THR . 17325 1 80 . ASN . 17325 1 81 . ARG . 17325 1 82 . TYR . 17325 1 83 . LEU . 17325 1 84 . THR . 17325 1 85 . GLU . 17325 1 86 . GLN . 17325 1 87 . ARG . 17325 1 88 . ARG . 17325 1 89 . GLN . 17325 1 90 . SER . 17325 1 91 . LEU . 17325 1 92 . ALA . 17325 1 93 . GLN . 17325 1 94 . GLU . 17325 1 95 . LEU . 17325 1 96 . GLY . 17325 1 97 . LEU . 17325 1 98 . ASN . 17325 1 99 . GLU . 17325 1 100 . SER . 17325 1 101 . GLN . 17325 1 102 . ILE . 17325 1 103 . LYS . 17325 1 104 . ILE . 17325 1 105 . TRP . 17325 1 106 . PHE . 17325 1 107 . GLN . 17325 1 108 . ASN . 17325 1 109 . LYS . 17325 1 110 . ARG . 17325 1 111 . ALA . 17325 1 112 . LYS . 17325 1 113 . ILE . 17325 1 114 . LYS . 17325 1 115 . LYS . 17325 1 116 . ALA . 17325 1 117 . THR . 17325 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 17325 1 . PRO 2 2 17325 1 . MET 3 3 17325 1 . GLU 4 4 17325 1 . LEU 5 5 17325 1 . SER 6 6 17325 1 . VAL 7 7 17325 1 . SER 8 8 17325 1 . SER 9 9 17325 1 . ASP 10 10 17325 1 . SER 11 11 17325 1 . ASP 12 12 17325 1 . SER 13 13 17325 1 . SER 14 14 17325 1 . GLN 15 15 17325 1 . ALA 16 16 17325 1 . GLY 17 17 17325 1 . SER 18 18 17325 1 . ASN 19 19 17325 1 . ALA 20 20 17325 1 . GLY 21 21 17325 1 . ASN 22 22 17325 1 . GLN 23 23 17325 1 . PRO 24 24 17325 1 . MET 25 25 17325 1 . LEU 26 26 17325 1 . TRP 27 27 17325 1 . PRO 28 28 17325 1 . ALA 29 29 17325 1 . TRP 30 30 17325 1 . VAL 31 31 17325 1 . TYR 32 32 17325 1 . CYS 33 33 17325 1 . THR 34 34 17325 1 . ARG 35 35 17325 1 . TYR 36 36 17325 1 . SER 37 37 17325 1 . ASP 38 38 17325 1 . ARG 39 39 17325 1 . PRO 40 40 17325 1 . SER 41 41 17325 1 . SER 42 42 17325 1 . GLY 43 43 17325 1 . PRO 44 44 17325 1 . ARG 45 45 17325 1 . SER 46 46 17325 1 . ARG 47 47 17325 1 . LYS 48 48 17325 1 . PRO 49 49 17325 1 . LYS 50 50 17325 1 . LYS 51 51 17325 1 . LYS 52 52 17325 1 . ASN 53 53 17325 1 . PRO 54 54 17325 1 . ASN 55 55 17325 1 . LYS 56 56 17325 1 . GLU 57 57 17325 1 . ASP 58 58 17325 1 . LYS 59 59 17325 1 . ARG 60 60 17325 1 . PRO 61 61 17325 1 . ARG 62 62 17325 1 . THR 63 63 17325 1 . ALA 64 64 17325 1 . PHE 65 65 17325 1 . THR 66 66 17325 1 . ALA 67 67 17325 1 . GLU 68 68 17325 1 . GLN 69 69 17325 1 . LEU 70 70 17325 1 . GLN 71 71 17325 1 . ARG 72 72 17325 1 . LEU 73 73 17325 1 . LYS 74 74 17325 1 . ALA 75 75 17325 1 . GLU 76 76 17325 1 . PHE 77 77 17325 1 . GLN 78 78 17325 1 . THR 79 79 17325 1 . ASN 80 80 17325 1 . ARG 81 81 17325 1 . TYR 82 82 17325 1 . LEU 83 83 17325 1 . THR 84 84 17325 1 . GLU 85 85 17325 1 . GLN 86 86 17325 1 . ARG 87 87 17325 1 . ARG 88 88 17325 1 . GLN 89 89 17325 1 . SER 90 90 17325 1 . LEU 91 91 17325 1 . ALA 92 92 17325 1 . GLN 93 93 17325 1 . GLU 94 94 17325 1 . LEU 95 95 17325 1 . GLY 96 96 17325 1 . LEU 97 97 17325 1 . ASN 98 98 17325 1 . GLU 99 99 17325 1 . SER 100 100 17325 1 . GLN 101 101 17325 1 . ILE 102 102 17325 1 . LYS 103 103 17325 1 . ILE 104 104 17325 1 . TRP 105 105 17325 1 . PHE 106 106 17325 1 . GLN 107 107 17325 1 . ASN 108 108 17325 1 . LYS 109 109 17325 1 . ARG 110 110 17325 1 . ALA 111 111 17325 1 . LYS 112 112 17325 1 . ILE 113 113 17325 1 . LYS 114 114 17325 1 . LYS 115 115 17325 1 . ALA 116 116 17325 1 . THR 117 117 17325 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 17325 _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 $Engrailed_2 . 9031 organism . 'Gallus gallus' chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . . . . En-2 . . . . 17325 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 17325 _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 $Engrailed_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21RP . . . . . . . . . . . . . . . pGEX . . . . . . 17325 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17325 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'uniformly 15N labeled sample' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Engrailed 2' [U-15N] . . 1 $Engrailed_2 . . 0.6 . . mM 0.1 . . . 17325 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17325 1 3 DSS 'natural abundance' . . . . . . 0.111 . . mM . . . . 17325 1 4 TCEP 'natural abundance' . . . . . . 10 . . mM . . . . 17325 1 5 'AEBSF protease inhibitor' 'natural abundance' . . . . . . 1 . . uM . . . . 17325 1 6 leupeptin 'natural abundance' . . . . . . 2 . . uM . . . . 17325 1 7 'pepstatin A' 'natural abundance' . . . . . . 2 . . uM . . . . 17325 1 8 EDTA 'natural abundance' . . . . . . 0.02 . . mM . . . . 17325 1 9 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 17325 1 10 'sodium succinat' 'natural abundance' . . . . . . 40 . . mM . . . . 17325 1 11 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17325 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17325 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'uniformly 15N 13C labeled sample' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Engrailed 2' '[U-13C; U-15N]' . . 1 $Engrailed_2 . . 0.6 . . mM . . . . 17325 2 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17325 2 3 DSS 'natural abundance' . . . . . . 0.111 . . mM . . . . 17325 2 4 TCEP 'natural abundance' . . . . . . 10 . . mM . . . . 17325 2 5 'AEBSF protease inhibitor' 'natural abundance' . . . . . . 1 . . uM . . . . 17325 2 6 leupeptin 'natural abundance' . . . . . . 2 . . uM . . . . 17325 2 7 'pepstatin A' 'natural abundance' . . . . . . 2 . . uM . . . . 17325 2 8 EDTA 'natural abundance' . . . . . . 0.02 . . mM . . . . 17325 2 9 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 17325 2 10 'sodium succinat' 'natural abundance' . . . . . . 40 . . mM . . . . 17325 2 11 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17325 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17325 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'uniformly 15N and 13C labeled sample in D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Engrailed 2' '[U-13C; U-15N]' . . 1 $Engrailed_2 . . 0.6 . . mM . . . . 17325 3 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17325 3 3 DSS 'natural abundance' . . . . . . 0.111 . . mM . . . . 17325 3 4 TCEP 'natural abundance' . . . . . . 10 . . mM . . . . 17325 3 5 'AEBSF protease inhibitor' 'natural abundance' . . . . . . 1 . . uM . . . . 17325 3 6 leupeptin 'natural abundance' . . . . . . 2 . . uM . . . . 17325 3 7 'pepstatin A' 'natural abundance' . . . . . . 2 . . uM . . . . 17325 3 8 EDTA 'natural abundance' . . . . . . 0.02 . . mM . . . . 17325 3 9 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 17325 3 10 'sodium succinat' 'natural abundance' . . . . . . 40 . . mM . . . . 17325 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17325 _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 . pH 17325 1 pressure 1 . atm 17325 1 temperature 303 . K 17325 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17325 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17325 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17325 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17325 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17325 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17325 2 stop_ save_ save_CCPNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CCPNmr_Analysis _Software.Entry_ID 17325 _Software.ID 3 _Software.Name ANALYSIS _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 17325 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17325 3 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 17325 _Software.ID 4 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17325 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17325 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17325 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equiped with cryogenic probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17325 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17325 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance III' . 500 'equiped with cryogenic probe' . . 17325 1 2 spectrometer_2 Varian INOVA . 700 . . . 17325 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 17325 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17325 1 2 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17325 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17325 1 4 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17325 1 5 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17325 1 6 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17325 1 7 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17325 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17325 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17325 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17325 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17325 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17325 1 13 '3D HBCB(CGCD)HD' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17325 1 14 '3D HBCB(CGCE)HE' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17325 1 15 '4D HC(CC-TOCSY)CONH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17325 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17325 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'Spectra referenced with DSS' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17325 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17325 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17325 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17325 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17325 1 2 '3D HNCACB' . . . 17325 1 3 '3D CBCA(CO)NH' . . . 17325 1 4 '3D HNCO' . . . 17325 1 5 '3D HN(CA)CO' . . . 17325 1 6 '3D H(CCO)NH' . . . 17325 1 7 '3D C(CO)NH' . . . 17325 1 8 '3D HBHA(CO)NH' . . . 17325 1 9 '3D 1H-15N TOCSY' . . . 17325 1 10 '3D 1H-15N NOESY' . . . 17325 1 11 '2D 1H-13C HSQC' . . . 17325 1 12 '3D 1H-13C NOESY' . . . 17325 1 13 '3D HBCB(CGCD)HD' . . . 17325 1 14 '3D HBCB(CGCE)HE' . . . 17325 1 15 '4D HC(CC-TOCSY)CONH' . . . 17325 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 3 $CCPNmr_Analysis . . 17325 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 PRO HA H 1 4.420 0.02 . 1 . . . . 2 Pro HA . 17325 1 2 . 1 1 2 2 PRO HB2 H 1 2.288 0.02 . 2 . . . . 2 Pro HB2 . 17325 1 3 . 1 1 2 2 PRO HB3 H 1 1.919 0.02 . 2 . . . . 2 Pro HB3 . 17325 1 4 . 1 1 2 2 PRO HG2 H 1 1.984 0.02 . 2 . . . . 2 Pro HG2 . 17325 1 5 . 1 1 2 2 PRO HG3 H 1 1.995 0.02 . 2 . . . . 2 Pro HG3 . 17325 1 6 . 1 1 2 2 PRO HD2 H 1 3.551 0.02 . 2 . . . . 2 Pro HD2 . 17325 1 7 . 1 1 2 2 PRO HD3 H 1 3.558 0.02 . 2 . . . . 2 Pro HD3 . 17325 1 8 . 1 1 2 2 PRO C C 13 177.102 0.100 . 1 . . . . 2 Pro C . 17325 1 9 . 1 1 2 2 PRO CA C 13 63.150 0.100 . 1 . . . . 2 Pro CA . 17325 1 10 . 1 1 2 2 PRO CB C 13 32.241 0.100 . 1 . . . . 2 Pro CB . 17325 1 11 . 1 1 2 2 PRO CG C 13 26.744 0.100 . 1 . . . . 2 Pro CG . 17325 1 12 . 1 1 2 2 PRO CD C 13 49.499 0.100 . 1 . . . . 2 Pro CD . 17325 1 13 . 1 1 3 3 MET H H 1 8.543 0.02 . 1 . . . . 3 Met H . 17325 1 14 . 1 1 3 3 MET HA H 1 4.436 0.02 . 1 . . . . 3 Met HA . 17325 1 15 . 1 1 3 3 MET HB2 H 1 2.062 0.02 . 2 . . . . 3 Met HB2 . 17325 1 16 . 1 1 3 3 MET HB3 H 1 2.074 0.02 . 2 . . . . 3 Met HB3 . 17325 1 17 . 1 1 3 3 MET HG2 H 1 2.589 0.02 . 2 . . . . 3 Met HG2 . 17325 1 18 . 1 1 3 3 MET HG3 H 1 2.603 0.02 . 2 . . . . 3 Met HG3 . 17325 1 19 . 1 1 3 3 MET C C 13 176.304 0.100 . 1 . . . . 3 Met C . 17325 1 20 . 1 1 3 3 MET CA C 13 55.761 0.100 . 1 . . . . 3 Met CA . 17325 1 21 . 1 1 3 3 MET CB C 13 32.817 0.100 . 1 . . . . 3 Met CB . 17325 1 22 . 1 1 3 3 MET CG C 13 32.073 0.100 . 1 . . . . 3 Met CG . 17325 1 23 . 1 1 3 3 MET N N 15 120.090 0.100 . 1 . . . . 3 Met N . 17325 1 24 . 1 1 4 4 GLU H H 1 8.321 0.02 . 1 . . . . 4 Glu H . 17325 1 25 . 1 1 4 4 GLU HA H 1 4.274 0.02 . 1 . . . . 4 Glu HA . 17325 1 26 . 1 1 4 4 GLU HB2 H 1 1.966 0.02 . 2 . . . . 4 Glu HB2 . 17325 1 27 . 1 1 4 4 GLU HB3 H 1 1.983 0.02 . 2 . . . . 4 Glu HB3 . 17325 1 28 . 1 1 4 4 GLU C C 13 176.298 0.100 . 1 . . . . 4 Glu C . 17325 1 29 . 1 1 4 4 GLU CA C 13 56.472 0.100 . 1 . . . . 4 Glu CA . 17325 1 30 . 1 1 4 4 GLU CB C 13 30.019 0.100 . 1 . . . . 4 Glu CB . 17325 1 31 . 1 1 4 4 GLU CG C 13 36.056 0.100 . 1 . . . . 4 Glu CG . 17325 1 32 . 1 1 4 4 GLU N N 15 122.032 0.100 . 1 . . . . 4 Glu N . 17325 1 33 . 1 1 5 5 LEU H H 1 8.180 0.02 . 1 . . . . 5 Leu H . 17325 1 34 . 1 1 5 5 LEU HA H 1 4.354 0.02 . 1 . . . . 5 Leu HA . 17325 1 35 . 1 1 5 5 LEU HB2 H 1 1.584 0.02 . 2 . . . . 5 Leu HB2 . 17325 1 36 . 1 1 5 5 LEU HB3 H 1 1.596 0.02 . 2 . . . . 5 Leu HB3 . 17325 1 37 . 1 1 5 5 LEU C C 13 177.360 0.100 . 1 . . . . 5 Leu C . 17325 1 38 . 1 1 5 5 LEU CA C 13 55.022 0.100 . 1 . . . . 5 Leu CA . 17325 1 39 . 1 1 5 5 LEU CB C 13 42.395 0.100 . 1 . . . . 5 Leu CB . 17325 1 40 . 1 1 5 5 LEU CG C 13 26.786 0.100 . 1 . . . . 5 Leu CG . 17325 1 41 . 1 1 5 5 LEU CD1 C 13 23.244 0.100 . 2 . . . . 5 Leu CD1 . 17325 1 42 . 1 1 5 5 LEU CD2 C 13 24.531 0.100 . 2 . . . . 5 Leu CD2 . 17325 1 43 . 1 1 5 5 LEU N N 15 123.051 0.100 . 1 . . . . 5 Leu N . 17325 1 44 . 1 1 6 6 SER H H 1 8.257 0.02 . 1 . . . . 6 Ser H . 17325 1 45 . 1 1 6 6 SER HA H 1 4.460 0.02 . 1 . . . . 6 Ser HA . 17325 1 46 . 1 1 6 6 SER HB2 H 1 3.825 0.02 . 2 . . . . 6 Ser HB2 . 17325 1 47 . 1 1 6 6 SER HB3 H 1 3.811 0.02 . 2 . . . . 6 Ser HB3 . 17325 1 48 . 1 1 6 6 SER C C 13 174.518 0.100 . 1 . . . . 6 Ser C . 17325 1 49 . 1 1 6 6 SER CA C 13 58.084 0.100 . 1 . . . . 6 Ser CA . 17325 1 50 . 1 1 6 6 SER CB C 13 63.692 0.100 . 1 . . . . 6 Ser CB . 17325 1 51 . 1 1 6 6 SER N N 15 116.773 0.100 . 1 . . . . 6 Ser N . 17325 1 52 . 1 1 7 7 VAL H H 1 8.087 0.02 . 1 . . . . 7 Val H . 17325 1 53 . 1 1 7 7 VAL HA H 1 4.195 0.02 . 1 . . . . 7 Val HA . 17325 1 54 . 1 1 7 7 VAL HB H 1 2.083 0.02 . 1 . . . . 7 Val HB . 17325 1 55 . 1 1 7 7 VAL HG11 H 1 0.898 0.02 . 2 . . . . 7 Val HG11 . 17325 1 56 . 1 1 7 7 VAL HG12 H 1 0.898 0.02 . 2 . . . . 7 Val HG12 . 17325 1 57 . 1 1 7 7 VAL HG13 H 1 0.898 0.02 . 2 . . . . 7 Val HG13 . 17325 1 58 . 1 1 7 7 VAL HG21 H 1 0.885 0.02 . 2 . . . . 7 Val HG21 . 17325 1 59 . 1 1 7 7 VAL HG22 H 1 0.885 0.02 . 2 . . . . 7 Val HG22 . 17325 1 60 . 1 1 7 7 VAL HG23 H 1 0.885 0.02 . 2 . . . . 7 Val HG23 . 17325 1 61 . 1 1 7 7 VAL C C 13 176.209 0.100 . 1 . . . . 7 Val C . 17325 1 62 . 1 1 7 7 VAL CA C 13 61.933 0.100 . 1 . . . . 7 Val CA . 17325 1 63 . 1 1 7 7 VAL CB C 13 32.804 0.100 . 1 . . . . 7 Val CB . 17325 1 64 . 1 1 7 7 VAL CG1 C 13 20.093 0.100 . 2 . . . . 7 Val CG1 . 17325 1 65 . 1 1 7 7 VAL CG2 C 13 20.474 0.100 . 2 . . . . 7 Val CG2 . 17325 1 66 . 1 1 7 7 VAL N N 15 121.181 0.100 . 1 . . . . 7 Val N . 17325 1 67 . 1 1 8 8 SER H H 1 8.358 0.02 . 1 . . . . 8 Ser H . 17325 1 68 . 1 1 8 8 SER HA H 1 4.497 0.02 . 1 . . . . 8 Ser HA . 17325 1 69 . 1 1 8 8 SER HB2 H 1 3.859 0.02 . 2 . . . . 8 Ser HB2 . 17325 1 70 . 1 1 8 8 SER HB3 H 1 3.844 0.02 . 2 . . . . 8 Ser HB3 . 17325 1 71 . 1 1 8 8 SER C C 13 174.755 0.100 . 1 . . . . 8 Ser C . 17325 1 72 . 1 1 8 8 SER CA C 13 58.084 0.100 . 1 . . . . 8 Ser CA . 17325 1 73 . 1 1 8 8 SER CB C 13 63.931 0.100 . 1 . . . . 8 Ser CB . 17325 1 74 . 1 1 8 8 SER N N 15 119.163 0.100 . 1 . . . . 8 Ser N . 17325 1 75 . 1 1 9 9 SER H H 1 8.402 0.02 . 1 . . . . 9 Ser H . 17325 1 76 . 1 1 9 9 SER HA H 1 4.458 0.02 . 1 . . . . 9 Ser HA . 17325 1 77 . 1 1 9 9 SER HB2 H 1 3.863 0.02 . 2 . . . . 9 Ser HB2 . 17325 1 78 . 1 1 9 9 SER HB3 H 1 3.847 0.02 . 2 . . . . 9 Ser HB3 . 17325 1 79 . 1 1 9 9 SER C C 13 174.481 0.100 . 1 . . . . 9 Ser C . 17325 1 80 . 1 1 9 9 SER CA C 13 58.283 0.100 . 1 . . . . 9 Ser CA . 17325 1 81 . 1 1 9 9 SER CB C 13 63.830 0.100 . 1 . . . . 9 Ser CB . 17325 1 82 . 1 1 9 9 SER N N 15 118.052 0.100 . 1 . . . . 9 Ser N . 17325 1 83 . 1 1 10 10 ASP H H 1 8.347 0.02 . 1 . . . . 10 Asp H . 17325 1 84 . 1 1 10 10 ASP HA H 1 4.623 0.02 . 1 . . . . 10 Asp HA . 17325 1 85 . 1 1 10 10 ASP HB2 H 1 2.656 0.02 . 2 . . . . 10 Asp HB2 . 17325 1 86 . 1 1 10 10 ASP HB3 H 1 2.637 0.02 . 2 . . . . 10 Asp HB3 . 17325 1 87 . 1 1 10 10 ASP C C 13 176.527 0.100 . 1 . . . . 10 Asp C . 17325 1 88 . 1 1 10 10 ASP CA C 13 54.399 0.100 . 1 . . . . 10 Asp CA . 17325 1 89 . 1 1 10 10 ASP CB C 13 41.009 0.100 . 1 . . . . 10 Asp CB . 17325 1 90 . 1 1 10 10 ASP N N 15 122.259 0.100 . 1 . . . . 10 Asp N . 17325 1 91 . 1 1 11 11 SER H H 1 8.181 0.02 . 1 . . . . 11 Ser H . 17325 1 92 . 1 1 11 11 SER HA H 1 4.435 0.02 . 1 . . . . 11 Ser HA . 17325 1 93 . 1 1 11 11 SER HB2 H 1 3.895 0.02 . 2 . . . . 11 Ser HB2 . 17325 1 94 . 1 1 11 11 SER HB3 H 1 3.877 0.02 . 2 . . . . 11 Ser HB3 . 17325 1 95 . 1 1 11 11 SER C C 13 174.566 0.100 . 1 . . . . 11 Ser C . 17325 1 96 . 1 1 11 11 SER CA C 13 58.638 0.100 . 1 . . . . 11 Ser CA . 17325 1 97 . 1 1 11 11 SER CB C 13 63.824 0.100 . 1 . . . . 11 Ser CB . 17325 1 98 . 1 1 11 11 SER N N 15 115.597 0.100 . 1 . . . . 11 Ser N . 17325 1 99 . 1 1 12 12 ASP H H 1 8.304 0.02 . 1 . . . . 12 Asp H . 17325 1 100 . 1 1 12 12 ASP HA H 1 4.634 0.02 . 1 . . . . 12 Asp HA . 17325 1 101 . 1 1 12 12 ASP HB2 H 1 2.694 0.02 . 2 . . . . 12 Asp HB2 . 17325 1 102 . 1 1 12 12 ASP HB3 H 1 2.683 0.02 . 2 . . . . 12 Asp HB3 . 17325 1 103 . 1 1 12 12 ASP C C 13 176.802 0.100 . 1 . . . . 12 Asp C . 17325 1 104 . 1 1 12 12 ASP CA C 13 54.385 0.100 . 1 . . . . 12 Asp CA . 17325 1 105 . 1 1 12 12 ASP CB C 13 41.054 0.100 . 1 . . . . 12 Asp CB . 17325 1 106 . 1 1 12 12 ASP N N 15 122.219 0.100 . 1 . . . . 12 Asp N . 17325 1 107 . 1 1 13 13 SER H H 1 8.284 0.02 . 1 . . . . 13 Ser H . 17325 1 108 . 1 1 13 13 SER HA H 1 4.415 0.02 . 1 . . . . 13 Ser HA . 17325 1 109 . 1 1 13 13 SER HB2 H 1 3.883 0.02 . 2 . . . . 13 Ser HB2 . 17325 1 110 . 1 1 13 13 SER HB3 H 1 3.898 0.02 . 2 . . . . 13 Ser HB3 . 17325 1 111 . 1 1 13 13 SER C C 13 175.207 0.100 . 1 . . . . 13 Ser C . 17325 1 112 . 1 1 13 13 SER CA C 13 58.702 0.100 . 1 . . . . 13 Ser CA . 17325 1 113 . 1 1 13 13 SER CB C 13 63.610 0.100 . 1 . . . . 13 Ser CB . 17325 1 114 . 1 1 13 13 SER N N 15 116.715 0.100 . 1 . . . . 13 Ser N . 17325 1 115 . 1 1 14 14 SER H H 1 8.346 0.02 . 1 . . . . 14 Ser H . 17325 1 116 . 1 1 14 14 SER HA H 1 4.397 0.02 . 1 . . . . 14 Ser HA . 17325 1 117 . 1 1 14 14 SER HB2 H 1 3.890 0.02 . 2 . . . . 14 Ser HB2 . 17325 1 118 . 1 1 14 14 SER HB3 H 1 3.906 0.02 . 2 . . . . 14 Ser HB3 . 17325 1 119 . 1 1 14 14 SER C C 13 174.962 0.100 . 1 . . . . 14 Ser C . 17325 1 120 . 1 1 14 14 SER CA C 13 59.061 0.100 . 1 . . . . 14 Ser CA . 17325 1 121 . 1 1 14 14 SER CB C 13 63.556 0.100 . 1 . . . . 14 Ser CB . 17325 1 122 . 1 1 14 14 SER N N 15 117.856 0.100 . 1 . . . . 14 Ser N . 17325 1 123 . 1 1 15 15 GLN H H 1 8.208 0.02 . 1 . . . . 15 Gln H . 17325 1 124 . 1 1 15 15 GLN HA H 1 4.310 0.02 . 1 . . . . 15 Gln HA . 17325 1 125 . 1 1 15 15 GLN HB2 H 1 1.948 0.02 . 2 . . . . 15 Gln HB2 . 17325 1 126 . 1 1 15 15 GLN HB3 H 1 2.132 0.02 . 2 . . . . 15 Gln HB3 . 17325 1 127 . 1 1 15 15 GLN HG2 H 1 2.327 0.02 . 2 . . . . 15 Gln HG2 . 17325 1 128 . 1 1 15 15 GLN HG3 H 1 2.345 0.02 . 2 . . . . 15 Gln HG3 . 17325 1 129 . 1 1 15 15 GLN HE21 H 1 6.795 0.02 . 1 . . . . 15 Gln HE21 . 17325 1 130 . 1 1 15 15 GLN HE22 H 1 7.473 0.02 . 1 . . . . 15 Gln HE22 . 17325 1 131 . 1 1 15 15 GLN C C 13 175.968 0.100 . 1 . . . . 15 Gln C . 17325 1 132 . 1 1 15 15 GLN CA C 13 55.837 0.100 . 1 . . . . 15 Gln CA . 17325 1 133 . 1 1 15 15 GLN CB C 13 29.051 0.100 . 1 . . . . 15 Gln CB . 17325 1 134 . 1 1 15 15 GLN CG C 13 33.551 0.100 . 1 . . . . 15 Gln CG . 17325 1 135 . 1 1 15 15 GLN CD C 13 180.550 0.100 . 1 . . . . 15 Gln CD . 17325 1 136 . 1 1 15 15 GLN N N 15 121.434 0.100 . 1 . . . . 15 Gln N . 17325 1 137 . 1 1 15 15 GLN NE2 N 15 112.419 0.100 . 1 . . . . 15 Gln NE2 . 17325 1 138 . 1 1 16 16 ALA H H 1 8.168 0.02 . 1 . . . . 16 Ala H . 17325 1 139 . 1 1 16 16 ALA HA H 1 4.251 0.02 . 1 . . . . 16 Ala HA . 17325 1 140 . 1 1 16 16 ALA HB1 H 1 1.364 0.02 . 1 . . . . 16 Ala HB1 . 17325 1 141 . 1 1 16 16 ALA HB2 H 1 1.364 0.02 . 1 . . . . 16 Ala HB2 . 17325 1 142 . 1 1 16 16 ALA HB3 H 1 1.364 0.02 . 1 . . . . 16 Ala HB3 . 17325 1 143 . 1 1 16 16 ALA C C 13 178.395 0.100 . 1 . . . . 16 Ala C . 17325 1 144 . 1 1 16 16 ALA CA C 13 52.803 0.100 . 1 . . . . 16 Ala CA . 17325 1 145 . 1 1 16 16 ALA CB C 13 19.052 0.100 . 1 . . . . 16 Ala CB . 17325 1 146 . 1 1 16 16 ALA N N 15 124.555 0.100 . 1 . . . . 16 Ala N . 17325 1 147 . 1 1 17 17 GLY H H 1 8.312 0.02 . 1 . . . . 17 Gly H . 17325 1 148 . 1 1 17 17 GLY HA2 H 1 3.928 0.02 . 2 . . . . 17 Gly HA2 . 17325 1 149 . 1 1 17 17 GLY HA3 H 1 3.945 0.02 . 2 . . . . 17 Gly HA3 . 17325 1 150 . 1 1 17 17 GLY C C 13 174.536 0.100 . 1 . . . . 17 Gly C . 17325 1 151 . 1 1 17 17 GLY CA C 13 45.267 0.100 . 1 . . . . 17 Gly CA . 17325 1 152 . 1 1 17 17 GLY N N 15 107.968 0.100 . 1 . . . . 17 Gly N . 17325 1 153 . 1 1 18 18 SER H H 1 8.151 0.02 . 1 . . . . 18 Ser H . 17325 1 154 . 1 1 18 18 SER HA H 1 4.466 0.02 . 1 . . . . 18 Ser HA . 17325 1 155 . 1 1 18 18 SER HB2 H 1 3.888 0.02 . 2 . . . . 18 Ser HB2 . 17325 1 156 . 1 1 18 18 SER HB3 H 1 3.899 0.02 . 2 . . . . 18 Ser HB3 . 17325 1 157 . 1 1 18 18 SER C C 13 174.641 0.100 . 1 . . . . 18 Ser C . 17325 1 158 . 1 1 18 18 SER CA C 13 58.394 0.100 . 1 . . . . 18 Ser CA . 17325 1 159 . 1 1 18 18 SER CB C 13 63.774 0.100 . 1 . . . . 18 Ser CB . 17325 1 160 . 1 1 18 18 SER N N 15 115.393 0.100 . 1 . . . . 18 Ser N . 17325 1 161 . 1 1 19 19 ASN H H 1 8.465 0.02 . 1 . . . . 19 Asn H . 17325 1 162 . 1 1 19 19 ASN HA H 1 4.701 0.02 . 1 . . . . 19 Asn HA . 17325 1 163 . 1 1 19 19 ASN HB2 H 1 2.783 0.02 . 2 . . . . 19 Asn HB2 . 17325 1 164 . 1 1 19 19 ASN HB3 H 1 2.805 0.02 . 2 . . . . 19 Asn HB3 . 17325 1 165 . 1 1 19 19 ASN HD21 H 1 6.887 0.02 . 1 . . . . 19 Asn HD21 . 17325 1 166 . 1 1 19 19 ASN HD22 H 1 7.546 0.02 . 1 . . . . 19 Asn HD22 . 17325 1 167 . 1 1 19 19 ASN C C 13 175.154 0.100 . 1 . . . . 19 Asn C . 17325 1 168 . 1 1 19 19 ASN CA C 13 53.201 0.100 . 1 . . . . 19 Asn CA . 17325 1 169 . 1 1 19 19 ASN CB C 13 38.782 0.100 . 1 . . . . 19 Asn CB . 17325 1 170 . 1 1 19 19 ASN CG C 13 177.343 0.100 . 1 . . . . 19 Asn CG . 17325 1 171 . 1 1 19 19 ASN N N 15 120.646 0.100 . 1 . . . . 19 Asn N . 17325 1 172 . 1 1 19 19 ASN ND2 N 15 112.918 0.100 . 1 . . . . 19 Asn ND2 . 17325 1 173 . 1 1 20 20 ALA H H 1 8.182 0.02 . 1 . . . . 20 Ala H . 17325 1 174 . 1 1 20 20 ALA HA H 1 4.237 0.02 . 1 . . . . 20 Ala HA . 17325 1 175 . 1 1 20 20 ALA HB1 H 1 1.357 0.02 . 1 . . . . 20 Ala HB1 . 17325 1 176 . 1 1 20 20 ALA HB2 H 1 1.357 0.02 . 1 . . . . 20 Ala HB2 . 17325 1 177 . 1 1 20 20 ALA HB3 H 1 1.357 0.02 . 1 . . . . 20 Ala HB3 . 17325 1 178 . 1 1 20 20 ALA C C 13 178.248 0.100 . 1 . . . . 20 Ala C . 17325 1 179 . 1 1 20 20 ALA CA C 13 52.965 0.100 . 1 . . . . 20 Ala CA . 17325 1 180 . 1 1 20 20 ALA CB C 13 19.038 0.100 . 1 . . . . 20 Ala CB . 17325 1 181 . 1 1 20 20 ALA N N 15 123.952 0.100 . 1 . . . . 20 Ala N . 17325 1 182 . 1 1 21 21 GLY H H 1 8.300 0.02 . 1 . . . . 21 Gly H . 17325 1 183 . 1 1 21 21 GLY HA2 H 1 3.894 0.02 . 2 . . . . 21 Gly HA2 . 17325 1 184 . 1 1 21 21 GLY HA3 H 1 3.902 0.02 . 2 . . . . 21 Gly HA3 . 17325 1 185 . 1 1 21 21 GLY C C 13 174.094 0.100 . 1 . . . . 21 Gly C . 17325 1 186 . 1 1 21 21 GLY CA C 13 45.319 0.100 . 1 . . . . 21 Gly CA . 17325 1 187 . 1 1 21 21 GLY N N 15 107.296 0.100 . 1 . . . . 21 Gly N . 17325 1 188 . 1 1 22 22 ASN H H 1 8.169 0.02 . 1 . . . . 22 Asn H . 17325 1 189 . 1 1 22 22 ASN HA H 1 4.691 0.02 . 1 . . . . 22 Asn HA . 17325 1 190 . 1 1 22 22 ASN HB2 H 1 2.742 0.02 . 2 . . . . 22 Asn HB2 . 17325 1 191 . 1 1 22 22 ASN HB3 H 1 2.729 0.02 . 2 . . . . 22 Asn HB3 . 17325 1 192 . 1 1 22 22 ASN HD21 H 1 6.861 0.02 . 1 . . . . 22 Asn HD21 . 17325 1 193 . 1 1 22 22 ASN HD22 H 1 7.517 0.02 . 1 . . . . 22 Asn HD22 . 17325 1 194 . 1 1 22 22 ASN C C 13 174.941 0.100 . 1 . . . . 22 Asn C . 17325 1 195 . 1 1 22 22 ASN CA C 13 52.958 0.100 . 1 . . . . 22 Asn CA . 17325 1 196 . 1 1 22 22 ASN CB C 13 38.819 0.100 . 1 . . . . 22 Asn CB . 17325 1 197 . 1 1 22 22 ASN CG C 13 177.171 0.100 . 1 . . . . 22 Asn CG . 17325 1 198 . 1 1 22 22 ASN N N 15 118.222 0.100 . 1 . . . . 22 Asn N . 17325 1 199 . 1 1 22 22 ASN ND2 N 15 112.427 0.100 . 1 . . . . 22 Asn ND2 . 17325 1 200 . 1 1 23 23 GLN H H 1 8.194 0.02 . 1 . . . . 23 Gln H . 17325 1 201 . 1 1 23 23 GLN HA H 1 4.611 0.02 . 1 . . . . 23 Gln HA . 17325 1 202 . 1 1 23 23 GLN HB2 H 1 1.942 0.02 . 2 . . . . 23 Gln HB2 . 17325 1 203 . 1 1 23 23 GLN HB3 H 1 2.086 0.02 . 2 . . . . 23 Gln HB3 . 17325 1 204 . 1 1 23 23 GLN HG2 H 1 2.359 0.02 . 2 . . . . 23 Gln HG2 . 17325 1 205 . 1 1 23 23 GLN HG3 H 1 2.382 0.02 . 2 . . . . 23 Gln HG3 . 17325 1 206 . 1 1 23 23 GLN HE21 H 1 6.806 0.02 . 1 . . . . 23 Gln HE21 . 17325 1 207 . 1 1 23 23 GLN HE22 H 1 7.436 0.02 . 1 . . . . 23 Gln HE22 . 17325 1 208 . 1 1 23 23 GLN C C 13 173.877 0.100 . 1 . . . . 23 Gln C . 17325 1 209 . 1 1 23 23 GLN CA C 13 53.790 0.100 . 1 . . . . 23 Gln CA . 17325 1 210 . 1 1 23 23 GLN CB C 13 28.834 0.100 . 1 . . . . 23 Gln CB . 17325 1 211 . 1 1 23 23 GLN CD C 13 180.569 0.100 . 1 . . . . 23 Gln CD . 17325 1 212 . 1 1 23 23 GLN N N 15 121.022 0.100 . 1 . . . . 23 Gln N . 17325 1 213 . 1 1 23 23 GLN NE2 N 15 112.247 0.100 . 1 . . . . 23 Gln NE2 . 17325 1 214 . 1 1 24 24 PRO HA H 1 4.244 0.02 . 1 . . . . 24 Pro HA . 17325 1 215 . 1 1 24 24 PRO HB2 H 1 1.760 0.02 . 2 . . . . 24 Pro HB2 . 17325 1 216 . 1 1 24 24 PRO HB3 H 1 2.138 0.02 . 2 . . . . 24 Pro HB3 . 17325 1 217 . 1 1 24 24 PRO HG2 H 1 1.856 0.02 . 2 . . . . 24 Pro HG2 . 17325 1 218 . 1 1 24 24 PRO HG3 H 1 1.878 0.02 . 2 . . . . 24 Pro HG3 . 17325 1 219 . 1 1 24 24 PRO HD2 H 1 3.593 0.02 . 2 . . . . 24 Pro HD2 . 17325 1 220 . 1 1 24 24 PRO HD3 H 1 3.601 0.02 . 2 . . . . 24 Pro HD3 . 17325 1 221 . 1 1 24 24 PRO C C 13 176.697 0.100 . 1 . . . . 24 Pro C . 17325 1 222 . 1 1 24 24 PRO CA C 13 63.086 0.100 . 1 . . . . 24 Pro CA . 17325 1 223 . 1 1 24 24 PRO CB C 13 31.928 0.100 . 1 . . . . 24 Pro CB . 17325 1 224 . 1 1 24 24 PRO CG C 13 27.007 0.100 . 1 . . . . 24 Pro CG . 17325 1 225 . 1 1 24 24 PRO CD C 13 50.338 0.100 . 1 . . . . 24 Pro CD . 17325 1 226 . 1 1 25 25 MET H H 1 8.256 0.02 . 1 . . . . 25 Met H . 17325 1 227 . 1 1 25 25 MET HA H 1 4.283 0.02 . 1 . . . . 25 Met HA . 17325 1 228 . 1 1 25 25 MET HB2 H 1 1.836 0.02 . 2 . . . . 25 Met HB2 . 17325 1 229 . 1 1 25 25 MET HB3 H 1 1.824 0.02 . 2 . . . . 25 Met HB3 . 17325 1 230 . 1 1 25 25 MET HG2 H 1 2.360 0.02 . 2 . . . . 25 Met HG2 . 17325 1 231 . 1 1 25 25 MET HG3 H 1 2.384 0.02 . 2 . . . . 25 Met HG3 . 17325 1 232 . 1 1 25 25 MET C C 13 175.715 0.100 . 1 . . . . 25 Met C . 17325 1 233 . 1 1 25 25 MET CA C 13 55.381 0.100 . 1 . . . . 25 Met CA . 17325 1 234 . 1 1 25 25 MET CB C 13 32.721 0.100 . 1 . . . . 25 Met CB . 17325 1 235 . 1 1 25 25 MET CG C 13 31.993 0.100 . 1 . . . . 25 Met CG . 17325 1 236 . 1 1 25 25 MET N N 15 119.909 0.100 . 1 . . . . 25 Met N . 17325 1 237 . 1 1 26 26 LEU H H 1 7.937 0.02 . 1 . . . . 26 Leu H . 17325 1 238 . 1 1 26 26 LEU HA H 1 4.245 0.02 . 1 . . . . 26 Leu HA . 17325 1 239 . 1 1 26 26 LEU HB2 H 1 1.355 0.02 . 2 . . . . 26 Leu HB2 . 17325 1 240 . 1 1 26 26 LEU HB3 H 1 1.339 0.02 . 2 . . . . 26 Leu HB3 . 17325 1 241 . 1 1 26 26 LEU HG H 1 1.382 0.02 . 1 . . . . 26 Leu HG . 17325 1 242 . 1 1 26 26 LEU HD11 H 1 0.751 0.02 . 2 . . . . 26 Leu HD11 . 17325 1 243 . 1 1 26 26 LEU HD12 H 1 0.751 0.02 . 2 . . . . 26 Leu HD12 . 17325 1 244 . 1 1 26 26 LEU HD13 H 1 0.751 0.02 . 2 . . . . 26 Leu HD13 . 17325 1 245 . 1 1 26 26 LEU HD21 H 1 0.775 0.02 . 2 . . . . 26 Leu HD21 . 17325 1 246 . 1 1 26 26 LEU HD22 H 1 0.775 0.02 . 2 . . . . 26 Leu HD22 . 17325 1 247 . 1 1 26 26 LEU HD23 H 1 0.775 0.02 . 2 . . . . 26 Leu HD23 . 17325 1 248 . 1 1 26 26 LEU C C 13 176.440 0.100 . 1 . . . . 26 Leu C . 17325 1 249 . 1 1 26 26 LEU CA C 13 54.684 0.100 . 1 . . . . 26 Leu CA . 17325 1 250 . 1 1 26 26 LEU CB C 13 42.245 0.100 . 1 . . . . 26 Leu CB . 17325 1 251 . 1 1 26 26 LEU CG C 13 26.625 0.100 . 1 . . . . 26 Leu CG . 17325 1 252 . 1 1 26 26 LEU CD1 C 13 23.011 0.100 . 2 . . . . 26 Leu CD1 . 17325 1 253 . 1 1 26 26 LEU CD2 C 13 24.547 0.100 . 2 . . . . 26 Leu CD2 . 17325 1 254 . 1 1 26 26 LEU N N 15 122.923 0.100 . 1 . . . . 26 Leu N . 17325 1 255 . 1 1 27 27 TRP H H 1 7.890 0.02 . 1 . . . . 27 Trp H . 17325 1 256 . 1 1 27 27 TRP HA H 1 4.885 0.02 . 1 . . . . 27 Trp HA . 17325 1 257 . 1 1 27 27 TRP HB2 H 1 3.012 0.02 . 2 . . . . 27 Trp HB2 . 17325 1 258 . 1 1 27 27 TRP HB3 H 1 3.166 0.02 . 2 . . . . 27 Trp HB3 . 17325 1 259 . 1 1 27 27 TRP HD1 H 1 7.143 0.02 . 1 . . . . 27 Trp HD1 . 17325 1 260 . 1 1 27 27 TRP HE1 H 1 10.017 0.02 . 1 . . . . 27 Trp HE1 . 17325 1 261 . 1 1 27 27 TRP HE3 H 1 7.11 0.02 . 5 . . . . 27 Trp HE3 . 17325 1 262 . 1 1 27 27 TRP HZ2 H 1 7.410 0.02 . 1 . . . . 27 Trp HZ2 . 17325 1 263 . 1 1 27 27 TRP HZ3 H 1 7.055 0.02 . 1 . . . . 27 Trp HZ3 . 17325 1 264 . 1 1 27 27 TRP HH2 H 1 7.168 0.02 . 1 . . . . 27 Trp HH2 . 17325 1 265 . 1 1 27 27 TRP C C 13 174.108 0.100 . 1 . . . . 27 Trp C . 17325 1 266 . 1 1 27 27 TRP CA C 13 54.622 0.100 . 1 . . . . 27 Trp CA . 17325 1 267 . 1 1 27 27 TRP CB C 13 29.095 0.100 . 1 . . . . 27 Trp CB . 17325 1 268 . 1 1 27 27 TRP CD1 C 13 126.9 0.100 . 1 . . . . 27 Trp CD1 . 17325 1 269 . 1 1 27 27 TRP CE3 C 13 120.6 0.100 . 1 . . . . 27 Trp CE3 . 17325 1 270 . 1 1 27 27 TRP CZ2 C 13 114.7 0.100 . 1 . . . . 27 Trp CZ2 . 17325 1 271 . 1 1 27 27 TRP CZ3 C 13 122.1 0.100 . 1 . . . . 27 Trp CZ3 . 17325 1 272 . 1 1 27 27 TRP CH2 C 13 124.7 0.100 . 1 . . . . 27 Trp CH2 . 17325 1 273 . 1 1 27 27 TRP N N 15 121.901 0.100 . 1 . . . . 27 Trp N . 17325 1 274 . 1 1 27 27 TRP NE1 N 15 128.891 0.100 . 1 . . . . 27 Trp NE1 . 17325 1 275 . 1 1 28 28 PRO C C 13 176.932 0.100 . 1 . . . . 28 Pro C . 17325 1 276 . 1 1 28 28 PRO CA C 13 62.723 0.100 . 1 . . . . 28 Pro CA . 17325 1 277 . 1 1 28 28 PRO CB C 13 31.591 0.100 . 1 . . . . 28 Pro CB . 17325 1 278 . 1 1 29 29 ALA H H 1 8.227 0.02 . 1 . . . . 29 Ala H . 17325 1 279 . 1 1 29 29 ALA HA H 1 4.120 0.02 . 1 . . . . 29 Ala HA . 17325 1 280 . 1 1 29 29 ALA HB1 H 1 1.374 0.02 . 1 . . . . 29 Ala HB1 . 17325 1 281 . 1 1 29 29 ALA HB2 H 1 1.374 0.02 . 1 . . . . 29 Ala HB2 . 17325 1 282 . 1 1 29 29 ALA HB3 H 1 1.374 0.02 . 1 . . . . 29 Ala HB3 . 17325 1 283 . 1 1 29 29 ALA C C 13 178.280 0.100 . 1 . . . . 29 Ala C . 17325 1 284 . 1 1 29 29 ALA CA C 13 53.799 0.100 . 1 . . . . 29 Ala CA . 17325 1 285 . 1 1 29 29 ALA CB C 13 18.671 0.100 . 1 . . . . 29 Ala CB . 17325 1 286 . 1 1 29 29 ALA N N 15 122.547 0.100 . 1 . . . . 29 Ala N . 17325 1 287 . 1 1 30 30 TRP H H 1 7.606 0.02 . 1 . . . . 30 Trp H . 17325 1 288 . 1 1 30 30 TRP HA H 1 4.612 0.02 . 1 . . . . 30 Trp HA . 17325 1 289 . 1 1 30 30 TRP HB2 H 1 3.276 0.02 . 2 . . . . 30 Trp HB2 . 17325 1 290 . 1 1 30 30 TRP HB3 H 1 3.345 0.02 . 2 . . . . 30 Trp HB3 . 17325 1 291 . 1 1 30 30 TRP HD1 H 1 7.195 0.02 . 1 . . . . 30 Trp HD1 . 17325 1 292 . 1 1 30 30 TRP HE1 H 1 10.186 0.02 . 1 . . . . 30 Trp HE1 . 17325 1 293 . 1 1 30 30 TRP HE3 H 1 7.06 0.02 . 5 . . . . 30 Trp HE3 . 17325 1 294 . 1 1 30 30 TRP HZ2 H 1 7.424 0.02 . 1 . . . . 30 Trp HZ2 . 17325 1 295 . 1 1 30 30 TRP HZ3 H 1 7.115 0.02 . 1 . . . . 30 Trp HZ3 . 17325 1 296 . 1 1 30 30 TRP HH2 H 1 7.249 0.02 . 1 . . . . 30 Trp HH2 . 17325 1 297 . 1 1 30 30 TRP C C 13 176.719 0.100 . 1 . . . . 30 Trp C . 17325 1 298 . 1 1 30 30 TRP CA C 13 57.687 0.100 . 1 . . . . 30 Trp CA . 17325 1 299 . 1 1 30 30 TRP CB C 13 28.616 0.100 . 1 . . . . 30 Trp CB . 17325 1 300 . 1 1 30 30 TRP CD1 C 13 126.9 0.100 . 1 . . . . 30 Trp CD1 . 17325 1 301 . 1 1 30 30 TRP CE3 C 13 120.6 0.100 . 1 . . . . 30 Trp CE3 . 17325 1 302 . 1 1 30 30 TRP CZ2 C 13 114.7 0.100 . 1 . . . . 30 Trp CZ2 . 17325 1 303 . 1 1 30 30 TRP CZ3 C 13 122.1 0.100 . 1 . . . . 30 Trp CZ3 . 17325 1 304 . 1 1 30 30 TRP CH2 C 13 124.7 0.100 . 1 . . . . 30 Trp CH2 . 17325 1 305 . 1 1 30 30 TRP N N 15 116.231 0.100 . 1 . . . . 30 Trp N . 17325 1 306 . 1 1 30 30 TRP NE1 N 15 129.938 0.100 . 1 . . . . 30 Trp NE1 . 17325 1 307 . 1 1 31 31 VAL C C 13 175.990 0.100 . 1 . . . . 31 Val C . 17325 1 308 . 1 1 31 31 VAL CA C 13 62.947 0.100 . 1 . . . . 31 Val CA . 17325 1 309 . 1 1 31 31 VAL CB C 13 31.886 0.100 . 1 . . . . 31 Val CB . 17325 1 310 . 1 1 32 32 TYR H H 1 7.727 0.02 . 1 . . . . 32 Tyr H . 17325 1 311 . 1 1 32 32 TYR HA H 1 4.408 0.02 . 1 . . . . 32 Tyr HA . 17325 1 312 . 1 1 32 32 TYR HB2 H 1 2.870 0.02 . 2 . . . . 32 Tyr HB2 . 17325 1 313 . 1 1 32 32 TYR HB3 H 1 3.036 0.02 . 2 . . . . 32 Tyr HB3 . 17325 1 314 . 1 1 32 32 TYR HD1 H 1 7.136 0.02 . 3 . . . . 32 Tyr HD1 . 17325 1 315 . 1 1 32 32 TYR HD2 H 1 7.136 0.02 . 3 . . . . 32 Tyr HD2 . 17325 1 316 . 1 1 32 32 TYR HE1 H 1 6.822 0.02 . 3 . . . . 32 Tyr HE1 . 17325 1 317 . 1 1 32 32 TYR HE2 H 1 6.822 0.02 . 3 . . . . 32 Tyr HE2 . 17325 1 318 . 1 1 32 32 TYR C C 13 175.920 0.100 . 1 . . . . 32 Tyr C . 17325 1 319 . 1 1 32 32 TYR CA C 13 58.107 0.100 . 1 . . . . 32 Tyr CA . 17325 1 320 . 1 1 32 32 TYR CB C 13 38.782 0.100 . 1 . . . . 32 Tyr CB . 17325 1 321 . 1 1 32 32 TYR CD1 C 13 133.1 0.100 . 1 . . . . 32 Tyr CD . 17325 1 322 . 1 1 32 32 TYR CD2 C 13 133.1 0.100 . 1 . . . . 32 Tyr CD . 17325 1 323 . 1 1 32 32 TYR CE1 C 13 117.9 0.100 . 1 . . . . 32 Tyr CE . 17325 1 324 . 1 1 32 32 TYR CE2 C 13 117.9 0.100 . 1 . . . . 32 Tyr CE . 17325 1 325 . 1 1 32 32 TYR CZ C 13 156.94 0.100 . 1 . . . . 32 Tyr CZ . 17325 1 326 . 1 1 32 32 TYR N N 15 120.895 0.100 . 1 . . . . 32 Tyr N . 17325 1 327 . 1 1 33 33 CYS H H 1 7.955 0.02 . 1 . . . . 33 Cys H . 17325 1 328 . 1 1 33 33 CYS HA H 1 4.509 0.02 . 1 . . . . 33 Cys HA . 17325 1 329 . 1 1 33 33 CYS HB2 H 1 2.935 0.02 . 2 . . . . 33 Cys HB2 . 17325 1 330 . 1 1 33 33 CYS HB3 H 1 2.937 0.02 . 2 . . . . 33 Cys HB3 . 17325 1 331 . 1 1 33 33 CYS C C 13 174.671 0.100 . 1 . . . . 33 Cys C . 17325 1 332 . 1 1 33 33 CYS CA C 13 58.637 0.100 . 1 . . . . 33 Cys CA . 17325 1 333 . 1 1 33 33 CYS CB C 13 27.992 0.100 . 1 . . . . 33 Cys CB . 17325 1 334 . 1 1 33 33 CYS N N 15 119.387 0.100 . 1 . . . . 33 Cys N . 17325 1 335 . 1 1 34 34 THR H H 1 8.085 0.02 . 1 . . . . 34 Thr H . 17325 1 336 . 1 1 34 34 THR HA H 1 4.167 0.02 . 1 . . . . 34 Thr HA . 17325 1 337 . 1 1 34 34 THR HB H 1 4.269 0.02 . 1 . . . . 34 Thr HB . 17325 1 338 . 1 1 34 34 THR HG21 H 1 1.133 0.02 . 1 . . . . 34 Thr HG21 . 17325 1 339 . 1 1 34 34 THR HG22 H 1 1.133 0.02 . 1 . . . . 34 Thr HG22 . 17325 1 340 . 1 1 34 34 THR HG23 H 1 1.133 0.02 . 1 . . . . 34 Thr HG23 . 17325 1 341 . 1 1 34 34 THR C C 13 174.527 0.100 . 1 . . . . 34 Thr C . 17325 1 342 . 1 1 34 34 THR CA C 13 62.284 0.100 . 1 . . . . 34 Thr CA . 17325 1 343 . 1 1 34 34 THR CB C 13 69.512 0.100 . 1 . . . . 34 Thr CB . 17325 1 344 . 1 1 34 34 THR CG2 C 13 21.319 0.100 . 1 . . . . 34 Thr CG2 . 17325 1 345 . 1 1 34 34 THR N N 15 115.962 0.100 . 1 . . . . 34 Thr N . 17325 1 346 . 1 1 35 35 ARG H H 1 8.086 0.02 . 1 . . . . 35 Arg H . 17325 1 347 . 1 1 35 35 ARG HA H 1 4.277 0.02 . 1 . . . . 35 Arg HA . 17325 1 348 . 1 1 35 35 ARG HB2 H 1 1.622 0.02 . 2 . . . . 35 Arg HB2 . 17325 1 349 . 1 1 35 35 ARG HB3 H 1 1.618 0.02 . 2 . . . . 35 Arg HB3 . 17325 1 350 . 1 1 35 35 ARG HD2 H 1 3.012 0.02 . 2 . . . . 35 Arg HD2 . 17325 1 351 . 1 1 35 35 ARG HD3 H 1 3.039 0.02 . 2 . . . . 35 Arg HD3 . 17325 1 352 . 1 1 35 35 ARG C C 13 176.054 0.100 . 1 . . . . 35 Arg C . 17325 1 353 . 1 1 35 35 ARG CA C 13 56.234 0.100 . 1 . . . . 35 Arg CA . 17325 1 354 . 1 1 35 35 ARG CB C 13 30.728 0.100 . 1 . . . . 35 Arg CB . 17325 1 355 . 1 1 35 35 ARG CD C 13 43.154 0.100 . 1 . . . . 35 Arg CD . 17325 1 356 . 1 1 35 35 ARG N N 15 122.539 0.100 . 1 . . . . 35 Arg N . 17325 1 357 . 1 1 36 36 TYR H H 1 8.126 0.02 . 1 . . . . 36 Tyr H . 17325 1 358 . 1 1 36 36 TYR HA H 1 4.532 0.02 . 1 . . . . 36 Tyr HA . 17325 1 359 . 1 1 36 36 TYR HB2 H 1 2.877 0.02 . 2 . . . . 36 Tyr HB2 . 17325 1 360 . 1 1 36 36 TYR HB3 H 1 3.052 0.02 . 2 . . . . 36 Tyr HB3 . 17325 1 361 . 1 1 36 36 TYR HD1 H 1 7.128 0.02 . 3 . . . . 36 Tyr HD1 . 17325 1 362 . 1 1 36 36 TYR HD2 H 1 7.128 0.02 . 3 . . . . 36 Tyr HD2 . 17325 1 363 . 1 1 36 36 TYR HE1 H 1 6.806 0.02 . 3 . . . . 36 Tyr HE1 . 17325 1 364 . 1 1 36 36 TYR HE2 H 1 6.806 0.02 . 3 . . . . 36 Tyr HE2 . 17325 1 365 . 1 1 36 36 TYR C C 13 176.034 0.100 . 1 . . . . 36 Tyr C . 17325 1 366 . 1 1 36 36 TYR CA C 13 57.859 0.100 . 1 . . . . 36 Tyr CA . 17325 1 367 . 1 1 36 36 TYR CB C 13 38.771 0.100 . 1 . . . . 36 Tyr CB . 17325 1 368 . 1 1 36 36 TYR CD1 C 13 133.1 0.100 . 1 . . . . 36 Tyr CD . 17325 1 369 . 1 1 36 36 TYR CD2 C 13 133.1 0.100 . 1 . . . . 36 Tyr CD . 17325 1 370 . 1 1 36 36 TYR CE1 C 13 117.9 0.100 . 1 . . . . 36 Tyr CE . 17325 1 371 . 1 1 36 36 TYR CE2 C 13 117.9 0.100 . 1 . . . . 36 Tyr CE . 17325 1 372 . 1 1 36 36 TYR CZ C 13 156.94 0.100 . 1 . . . . 36 Tyr CZ . 17325 1 373 . 1 1 36 36 TYR N N 15 120.769 0.100 . 1 . . . . 36 Tyr N . 17325 1 374 . 1 1 37 37 SER H H 1 8.045 0.02 . 1 . . . . 37 Ser H . 17325 1 375 . 1 1 37 37 SER HA H 1 4.356 0.02 . 1 . . . . 37 Ser HA . 17325 1 376 . 1 1 37 37 SER HB2 H 1 3.790 0.02 . 2 . . . . 37 Ser HB2 . 17325 1 377 . 1 1 37 37 SER HB3 H 1 3.803 0.02 . 2 . . . . 37 Ser HB3 . 17325 1 378 . 1 1 37 37 SER C C 13 174.018 0.100 . 1 . . . . 37 Ser C . 17325 1 379 . 1 1 37 37 SER CA C 13 58.271 0.100 . 1 . . . . 37 Ser CA . 17325 1 380 . 1 1 37 37 SER CB C 13 63.871 0.100 . 1 . . . . 37 Ser CB . 17325 1 381 . 1 1 37 37 SER N N 15 116.198 0.100 . 1 . . . . 37 Ser N . 17325 1 382 . 1 1 38 38 ASP H H 1 8.231 0.02 . 1 . . . . 38 Asp H . 17325 1 383 . 1 1 38 38 ASP HA H 1 4.576 0.02 . 1 . . . . 38 Asp HA . 17325 1 384 . 1 1 38 38 ASP HB2 H 1 2.640 0.02 . 2 . . . . 38 Asp HB2 . 17325 1 385 . 1 1 38 38 ASP HB3 H 1 2.650 0.02 . 2 . . . . 38 Asp HB3 . 17325 1 386 . 1 1 38 38 ASP C C 13 175.761 0.100 . 1 . . . . 38 Asp C . 17325 1 387 . 1 1 38 38 ASP CA C 13 54.134 0.100 . 1 . . . . 38 Asp CA . 17325 1 388 . 1 1 38 38 ASP CB C 13 40.992 0.100 . 1 . . . . 38 Asp CB . 17325 1 389 . 1 1 38 38 ASP N N 15 121.914 0.100 . 1 . . . . 38 Asp N . 17325 1 390 . 1 1 39 39 ARG H H 1 8.030 0.02 . 1 . . . . 39 Arg H . 17325 1 391 . 1 1 39 39 ARG HA H 1 4.597 0.02 . 1 . . . . 39 Arg HA . 17325 1 392 . 1 1 39 39 ARG HB2 H 1 1.777 0.02 . 2 . . . . 39 Arg HB2 . 17325 1 393 . 1 1 39 39 ARG HB3 H 1 1.813 0.02 . 2 . . . . 39 Arg HB3 . 17325 1 394 . 1 1 39 39 ARG HG2 H 1 1.679 0.02 . 2 . . . . 39 Arg HG2 . 17325 1 395 . 1 1 39 39 ARG HG3 H 1 1.704 0.02 . 2 . . . . 39 Arg HG3 . 17325 1 396 . 1 1 39 39 ARG HD2 H 1 3.177 0.02 . 2 . . . . 39 Arg HD2 . 17325 1 397 . 1 1 39 39 ARG HD3 H 1 3.168 0.02 . 2 . . . . 39 Arg HD3 . 17325 1 398 . 1 1 39 39 ARG C C 13 174.200 0.100 . 1 . . . . 39 Arg C . 17325 1 399 . 1 1 39 39 ARG CA C 13 53.844 0.100 . 1 . . . . 39 Arg CA . 17325 1 400 . 1 1 39 39 ARG CB C 13 30.124 0.100 . 1 . . . . 39 Arg CB . 17325 1 401 . 1 1 39 39 ARG N N 15 121.165 0.100 . 1 . . . . 39 Arg N . 17325 1 402 . 1 1 40 40 PRO HA H 1 4.402 0.02 . 1 . . . . 40 Pro HA . 17325 1 403 . 1 1 40 40 PRO HB2 H 1 1.893 0.02 . 2 . . . . 40 Pro HB2 . 17325 1 404 . 1 1 40 40 PRO HB3 H 1 2.255 0.02 . 2 . . . . 40 Pro HB3 . 17325 1 405 . 1 1 40 40 PRO HG2 H 1 1.941 0.02 . 2 . . . . 40 Pro HG2 . 17325 1 406 . 1 1 40 40 PRO HG3 H 1 1.956 0.02 . 2 . . . . 40 Pro HG3 . 17325 1 407 . 1 1 40 40 PRO HD2 H 1 3.572 0.02 . 2 . . . . 40 Pro HD2 . 17325 1 408 . 1 1 40 40 PRO HD3 H 1 3.721 0.02 . 2 . . . . 40 Pro HD3 . 17325 1 409 . 1 1 40 40 PRO C C 13 177.119 0.100 . 1 . . . . 40 Pro C . 17325 1 410 . 1 1 40 40 PRO CA C 13 63.107 0.100 . 1 . . . . 40 Pro CA . 17325 1 411 . 1 1 40 40 PRO CB C 13 31.945 0.100 . 1 . . . . 40 Pro CB . 17325 1 412 . 1 1 40 40 PRO CG C 13 27.068 0.100 . 1 . . . . 40 Pro CG . 17325 1 413 . 1 1 40 40 PRO CD C 13 50.505 0.100 . 1 . . . . 40 Pro CD . 17325 1 414 . 1 1 41 41 SER H H 1 8.406 0.02 . 1 . . . . 41 Ser H . 17325 1 415 . 1 1 41 41 SER HA H 1 4.427 0.02 . 1 . . . . 41 Ser HA . 17325 1 416 . 1 1 41 41 SER HB2 H 1 3.868 0.02 . 2 . . . . 41 Ser HB2 . 17325 1 417 . 1 1 41 41 SER HB3 H 1 3.855 0.02 . 2 . . . . 41 Ser HB3 . 17325 1 418 . 1 1 41 41 SER C C 13 174.669 0.100 . 1 . . . . 41 Ser C . 17325 1 419 . 1 1 41 41 SER CA C 13 58.270 0.100 . 1 . . . . 41 Ser CA . 17325 1 420 . 1 1 41 41 SER CB C 13 63.758 0.100 . 1 . . . . 41 Ser CB . 17325 1 421 . 1 1 41 41 SER N N 15 115.860 0.100 . 1 . . . . 41 Ser N . 17325 1 422 . 1 1 42 42 SER H H 1 8.242 0.02 . 1 . . . . 42 Ser H . 17325 1 423 . 1 1 42 42 SER HA H 1 4.507 0.02 . 1 . . . . 42 Ser HA . 17325 1 424 . 1 1 42 42 SER HB2 H 1 3.861 0.02 . 2 . . . . 42 Ser HB2 . 17325 1 425 . 1 1 42 42 SER HB3 H 1 3.853 0.02 . 2 . . . . 42 Ser HB3 . 17325 1 426 . 1 1 42 42 SER C C 13 174.533 0.100 . 1 . . . . 42 Ser C . 17325 1 427 . 1 1 42 42 SER CA C 13 58.103 0.100 . 1 . . . . 42 Ser CA . 17325 1 428 . 1 1 42 42 SER CB C 13 63.994 0.100 . 1 . . . . 42 Ser CB . 17325 1 429 . 1 1 42 42 SER N N 15 117.121 0.100 . 1 . . . . 42 Ser N . 17325 1 430 . 1 1 43 43 GLY H H 1 8.222 0.02 . 1 . . . . 43 Gly H . 17325 1 431 . 1 1 43 43 GLY HA2 H 1 4.105 0.02 . 2 . . . . 43 Gly HA2 . 17325 1 432 . 1 1 43 43 GLY HA3 H 1 4.126 0.02 . 2 . . . . 43 Gly HA3 . 17325 1 433 . 1 1 43 43 GLY C C 13 172.028 0.100 . 1 . . . . 43 Gly C . 17325 1 434 . 1 1 43 43 GLY CA C 13 44.660 0.100 . 1 . . . . 43 Gly CA . 17325 1 435 . 1 1 43 43 GLY N N 15 110.233 0.100 . 1 . . . . 43 Gly N . 17325 1 436 . 1 1 44 44 PRO HA H 1 4.394 0.02 . 1 . . . . 44 Pro HA . 17325 1 437 . 1 1 44 44 PRO HB2 H 1 1.887 0.02 . 2 . . . . 44 Pro HB2 . 17325 1 438 . 1 1 44 44 PRO HB3 H 1 2.250 0.02 . 2 . . . . 44 Pro HB3 . 17325 1 439 . 1 1 44 44 PRO HG2 H 1 1.961 0.02 . 2 . . . . 44 Pro HG2 . 17325 1 440 . 1 1 44 44 PRO HG3 H 1 1.969 0.02 . 2 . . . . 44 Pro HG3 . 17325 1 441 . 1 1 44 44 PRO HD2 H 1 3.568 0.02 . 2 . . . . 44 Pro HD2 . 17325 1 442 . 1 1 44 44 PRO HD3 H 1 3.586 0.02 . 2 . . . . 44 Pro HD3 . 17325 1 443 . 1 1 44 44 PRO C C 13 177.471 0.100 . 1 . . . . 44 Pro C . 17325 1 444 . 1 1 44 44 PRO CA C 13 63.357 0.100 . 1 . . . . 44 Pro CA . 17325 1 445 . 1 1 44 44 PRO CB C 13 32.025 0.100 . 1 . . . . 44 Pro CB . 17325 1 446 . 1 1 44 44 PRO CG C 13 26.934 0.100 . 1 . . . . 44 Pro CG . 17325 1 447 . 1 1 44 44 PRO CD C 13 49.635 0.100 . 1 . . . . 44 Pro CD . 17325 1 448 . 1 1 45 45 ARG H H 1 8.475 0.02 . 1 . . . . 45 Arg H . 17325 1 449 . 1 1 45 45 ARG HA H 1 4.290 0.02 . 1 . . . . 45 Arg HA . 17325 1 450 . 1 1 45 45 ARG HB2 H 1 1.844 0.02 . 2 . . . . 45 Arg HB2 . 17325 1 451 . 1 1 45 45 ARG HB3 H 1 1.748 0.02 . 2 . . . . 45 Arg HB3 . 17325 1 452 . 1 1 45 45 ARG HG2 H 1 1.615 0.02 . 2 . . . . 45 Arg HG2 . 17325 1 453 . 1 1 45 45 ARG HG3 H 1 1.647 0.02 . 2 . . . . 45 Arg HG3 . 17325 1 454 . 1 1 45 45 ARG HD2 H 1 3.144 0.02 . 2 . . . . 45 Arg HD2 . 17325 1 455 . 1 1 45 45 ARG HD3 H 1 3.167 0.02 . 2 . . . . 45 Arg HD3 . 17325 1 456 . 1 1 45 45 ARG C C 13 176.531 0.100 . 1 . . . . 45 Arg C . 17325 1 457 . 1 1 45 45 ARG CA C 13 56.159 0.100 . 1 . . . . 45 Arg CA . 17325 1 458 . 1 1 45 45 ARG CB C 13 30.387 0.100 . 1 . . . . 45 Arg CB . 17325 1 459 . 1 1 45 45 ARG CG C 13 27.507 0.100 . 1 . . . . 45 Arg CG . 17325 1 460 . 1 1 45 45 ARG CD C 13 43.193 0.100 . 1 . . . . 45 Arg CD . 17325 1 461 . 1 1 45 45 ARG N N 15 120.557 0.100 . 1 . . . . 45 Arg N . 17325 1 462 . 1 1 46 46 SER H H 1 8.164 0.02 . 1 . . . . 46 Ser H . 17325 1 463 . 1 1 46 46 SER HA H 1 4.384 0.02 . 1 . . . . 46 Ser HA . 17325 1 464 . 1 1 46 46 SER HB2 H 1 3.828 0.02 . 2 . . . . 46 Ser HB2 . 17325 1 465 . 1 1 46 46 SER HB3 H 1 3.821 0.02 . 2 . . . . 46 Ser HB3 . 17325 1 466 . 1 1 46 46 SER C C 13 174.441 0.100 . 1 . . . . 46 Ser C . 17325 1 467 . 1 1 46 46 SER CA C 13 58.131 0.100 . 1 . . . . 46 Ser CA . 17325 1 468 . 1 1 46 46 SER CB C 13 63.871 0.100 . 1 . . . . 46 Ser CB . 17325 1 469 . 1 1 46 46 SER N N 15 116.214 0.100 . 1 . . . . 46 Ser N . 17325 1 470 . 1 1 47 47 ARG H H 1 8.303 0.02 . 1 . . . . 47 Arg H . 17325 1 471 . 1 1 47 47 ARG HA H 1 4.347 0.02 . 1 . . . . 47 Arg HA . 17325 1 472 . 1 1 47 47 ARG HB2 H 1 1.704 0.02 . 2 . . . . 47 Arg HB2 . 17325 1 473 . 1 1 47 47 ARG HB3 H 1 1.844 0.02 . 2 . . . . 47 Arg HB3 . 17325 1 474 . 1 1 47 47 ARG HG2 H 1 1.589 0.02 . 2 . . . . 47 Arg HG2 . 17325 1 475 . 1 1 47 47 ARG HG3 H 1 1.597 0.02 . 2 . . . . 47 Arg HG3 . 17325 1 476 . 1 1 47 47 ARG HD2 H 1 3.145 0.02 . 2 . . . . 47 Arg HD2 . 17325 1 477 . 1 1 47 47 ARG HD3 H 1 3.158 0.02 . 2 . . . . 47 Arg HD3 . 17325 1 478 . 1 1 47 47 ARG C C 13 175.982 0.100 . 1 . . . . 47 Arg C . 17325 1 479 . 1 1 47 47 ARG CA C 13 55.844 0.100 . 1 . . . . 47 Arg CA . 17325 1 480 . 1 1 47 47 ARG CB C 13 30.733 0.100 . 1 . . . . 47 Arg CB . 17325 1 481 . 1 1 47 47 ARG CG C 13 26.300 0.100 . 1 . . . . 47 Arg CG . 17325 1 482 . 1 1 47 47 ARG CD C 13 43.169 0.100 . 1 . . . . 47 Arg CD . 17325 1 483 . 1 1 47 47 ARG N N 15 122.928 0.100 . 1 . . . . 47 Arg N . 17325 1 484 . 1 1 48 48 LYS H H 1 8.293 0.02 . 1 . . . . 48 Lys H . 17325 1 485 . 1 1 48 48 LYS HA H 1 4.584 0.02 . 1 . . . . 48 Lys HA . 17325 1 486 . 1 1 48 48 LYS HB2 H 1 1.795 0.02 . 2 . . . . 48 Lys HB2 . 17325 1 487 . 1 1 48 48 LYS HB3 H 1 1.825 0.02 . 2 . . . . 48 Lys HB3 . 17325 1 488 . 1 1 48 48 LYS HG2 H 1 1.477 0.02 . 2 . . . . 48 Lys HG2 . 17325 1 489 . 1 1 48 48 LYS HG3 H 1 1.497 0.02 . 2 . . . . 48 Lys HG3 . 17325 1 490 . 1 1 48 48 LYS HD2 H 1 1.714 0.02 . 2 . . . . 48 Lys HD2 . 17325 1 491 . 1 1 48 48 LYS HD3 H 1 1.729 0.02 . 2 . . . . 48 Lys HD3 . 17325 1 492 . 1 1 48 48 LYS C C 13 174.441 0.100 . 1 . . . . 48 Lys C . 17325 1 493 . 1 1 48 48 LYS CA C 13 54.099 0.100 . 1 . . . . 48 Lys CA . 17325 1 494 . 1 1 48 48 LYS CB C 13 32.328 0.100 . 1 . . . . 48 Lys CB . 17325 1 495 . 1 1 48 48 LYS N N 15 123.843 0.100 . 1 . . . . 48 Lys N . 17325 1 496 . 1 1 49 49 PRO HA H 1 4.387 0.02 . 1 . . . . 49 Pro HA . 17325 1 497 . 1 1 49 49 PRO HB2 H 1 1.844 0.02 . 2 . . . . 49 Pro HB2 . 17325 1 498 . 1 1 49 49 PRO HB3 H 1 2.250 0.02 . 2 . . . . 49 Pro HB3 . 17325 1 499 . 1 1 49 49 PRO HG2 H 1 1.980 0.02 . 2 . . . . 49 Pro HG2 . 17325 1 500 . 1 1 49 49 PRO HG3 H 1 1.993 0.02 . 2 . . . . 49 Pro HG3 . 17325 1 501 . 1 1 49 49 PRO HD2 H 1 3.596 0.02 . 2 . . . . 49 Pro HD2 . 17325 1 502 . 1 1 49 49 PRO HD3 H 1 3.760 0.02 . 2 . . . . 49 Pro HD3 . 17325 1 503 . 1 1 49 49 PRO C C 13 176.796 0.100 . 1 . . . . 49 Pro C . 17325 1 504 . 1 1 49 49 PRO CA C 13 62.779 0.100 . 1 . . . . 49 Pro CA . 17325 1 505 . 1 1 49 49 PRO CB C 13 32.086 0.100 . 1 . . . . 49 Pro CB . 17325 1 506 . 1 1 49 49 PRO CG C 13 27.089 0.100 . 1 . . . . 49 Pro CG . 17325 1 507 . 1 1 49 49 PRO CD C 13 50.654 0.100 . 1 . . . . 49 Pro CD . 17325 1 508 . 1 1 50 50 LYS H H 1 8.392 0.02 . 1 . . . . 50 Lys H . 17325 1 509 . 1 1 50 50 LYS HA H 1 4.200 0.02 . 1 . . . . 50 Lys HA . 17325 1 510 . 1 1 50 50 LYS HB2 H 1 1.733 0.02 . 2 . . . . 50 Lys HB2 . 17325 1 511 . 1 1 50 50 LYS HB3 H 1 1.744 0.02 . 2 . . . . 50 Lys HB3 . 17325 1 512 . 1 1 50 50 LYS HG2 H 1 1.425 0.02 . 2 . . . . 50 Lys HG2 . 17325 1 513 . 1 1 50 50 LYS HG3 H 1 1.441 0.02 . 2 . . . . 50 Lys HG3 . 17325 1 514 . 1 1 50 50 LYS HD2 H 1 1.663 0.02 . 2 . . . . 50 Lys HD2 . 17325 1 515 . 1 1 50 50 LYS HD3 H 1 1.669 0.02 . 2 . . . . 50 Lys HD3 . 17325 1 516 . 1 1 50 50 LYS HE2 H 1 2.968 0.02 . 2 . . . . 50 Lys HE2 . 17325 1 517 . 1 1 50 50 LYS HE3 H 1 2.978 0.02 . 2 . . . . 50 Lys HE3 . 17325 1 518 . 1 1 50 50 LYS C C 13 176.626 0.100 . 1 . . . . 50 Lys C . 17325 1 519 . 1 1 50 50 LYS CA C 13 56.128 0.100 . 1 . . . . 50 Lys CA . 17325 1 520 . 1 1 50 50 LYS CB C 13 33.084 0.100 . 1 . . . . 50 Lys CB . 17325 1 521 . 1 1 50 50 LYS CG C 13 24.471 0.100 . 1 . . . . 50 Lys CG . 17325 1 522 . 1 1 50 50 LYS CD C 13 28.919 0.100 . 1 . . . . 50 Lys CD . 17325 1 523 . 1 1 50 50 LYS CE C 13 41.957 0.100 . 1 . . . . 50 Lys CE . 17325 1 524 . 1 1 50 50 LYS N N 15 122.218 0.100 . 1 . . . . 50 Lys N . 17325 1 525 . 1 1 51 51 LYS H H 1 8.311 0.02 . 1 . . . . 51 Lys H . 17325 1 526 . 1 1 51 51 LYS HA H 1 4.247 0.02 . 1 . . . . 51 Lys HA . 17325 1 527 . 1 1 51 51 LYS HB2 H 1 1.723 0.02 . 2 . . . . 51 Lys HB2 . 17325 1 528 . 1 1 51 51 LYS HB3 H 1 1.735 0.02 . 2 . . . . 51 Lys HB3 . 17325 1 529 . 1 1 51 51 LYS HG2 H 1 1.392 0.02 . 2 . . . . 51 Lys HG2 . 17325 1 530 . 1 1 51 51 LYS HG3 H 1 1.379 0.02 . 2 . . . . 51 Lys HG3 . 17325 1 531 . 1 1 51 51 LYS HD2 H 1 1.638 0.02 . 2 . . . . 51 Lys HD2 . 17325 1 532 . 1 1 51 51 LYS HD3 H 1 1.653 0.02 . 2 . . . . 51 Lys HD3 . 17325 1 533 . 1 1 51 51 LYS HE2 H 1 2.960 0.02 . 2 . . . . 51 Lys HE2 . 17325 1 534 . 1 1 51 51 LYS HE3 H 1 2.974 0.02 . 2 . . . . 51 Lys HE3 . 17325 1 535 . 1 1 51 51 LYS C C 13 176.344 0.100 . 1 . . . . 51 Lys C . 17325 1 536 . 1 1 51 51 LYS CA C 13 56.052 0.100 . 1 . . . . 51 Lys CA . 17325 1 537 . 1 1 51 51 LYS CB C 13 33.198 0.100 . 1 . . . . 51 Lys CB . 17325 1 538 . 1 1 51 51 LYS CG C 13 24.420 0.100 . 1 . . . . 51 Lys CG . 17325 1 539 . 1 1 51 51 LYS CD C 13 28.962 0.100 . 1 . . . . 51 Lys CD . 17325 1 540 . 1 1 51 51 LYS CE C 13 41.895 0.100 . 1 . . . . 51 Lys CE . 17325 1 541 . 1 1 51 51 LYS N N 15 123.245 0.100 . 1 . . . . 51 Lys N . 17325 1 542 . 1 1 52 52 LYS H H 1 8.398 0.02 . 1 . . . . 52 Lys H . 17325 1 543 . 1 1 52 52 LYS HA H 1 4.237 0.02 . 1 . . . . 52 Lys HA . 17325 1 544 . 1 1 52 52 LYS HB2 H 1 1.710 0.02 . 2 . . . . 52 Lys HB2 . 17325 1 545 . 1 1 52 52 LYS HB3 H 1 1.722 0.02 . 2 . . . . 52 Lys HB3 . 17325 1 546 . 1 1 52 52 LYS HG2 H 1 1.372 0.02 . 2 . . . . 52 Lys HG2 . 17325 1 547 . 1 1 52 52 LYS HG3 H 1 1.361 0.02 . 2 . . . . 52 Lys HG3 . 17325 1 548 . 1 1 52 52 LYS HD2 H 1 1.624 0.02 . 2 . . . . 52 Lys HD2 . 17325 1 549 . 1 1 52 52 LYS HD3 H 1 1.637 0.02 . 2 . . . . 52 Lys HD3 . 17325 1 550 . 1 1 52 52 LYS HE2 H 1 2.959 0.02 . 2 . . . . 52 Lys HE2 . 17325 1 551 . 1 1 52 52 LYS HE3 H 1 2.971 0.02 . 2 . . . . 52 Lys HE3 . 17325 1 552 . 1 1 52 52 LYS C C 13 176.025 0.100 . 1 . . . . 52 Lys C . 17325 1 553 . 1 1 52 52 LYS CA C 13 56.051 0.100 . 1 . . . . 52 Lys CA . 17325 1 554 . 1 1 52 52 LYS CB C 13 33.152 0.100 . 1 . . . . 52 Lys CB . 17325 1 555 . 1 1 52 52 LYS CG C 13 24.433 0.100 . 1 . . . . 52 Lys CG . 17325 1 556 . 1 1 52 52 LYS CD C 13 28.916 0.100 . 1 . . . . 52 Lys CD . 17325 1 557 . 1 1 52 52 LYS CE C 13 41.928 0.100 . 1 . . . . 52 Lys CE . 17325 1 558 . 1 1 52 52 LYS N N 15 123.553 0.100 . 1 . . . . 52 Lys N . 17325 1 559 . 1 1 53 53 ASN H H 1 8.567 0.02 . 1 . . . . 53 Asn H . 17325 1 560 . 1 1 53 53 ASN HA H 1 4.972 0.02 . 1 . . . . 53 Asn HA . 17325 1 561 . 1 1 53 53 ASN HB2 H 1 2.727 0.02 . 2 . . . . 53 Asn HB2 . 17325 1 562 . 1 1 53 53 ASN HB3 H 1 2.864 0.02 . 2 . . . . 53 Asn HB3 . 17325 1 563 . 1 1 53 53 ASN HD21 H 1 7.631 0.02 . 1 . . . . 53 Asn HD21 . 17325 1 564 . 1 1 53 53 ASN HD22 H 1 6.977 0.02 . 1 . . . . 53 Asn HD22 . 17325 1 565 . 1 1 53 53 ASN C C 13 173.666 0.100 . 1 . . . . 53 Asn C . 17325 1 566 . 1 1 53 53 ASN CA C 13 51.109 0.100 . 1 . . . . 53 Asn CA . 17325 1 567 . 1 1 53 53 ASN CB C 13 38.751 0.100 . 1 . . . . 53 Asn CB . 17325 1 568 . 1 1 53 53 ASN CG C 13 177.025 0.100 . 1 . . . . 53 Asn CG . 17325 1 569 . 1 1 53 53 ASN N N 15 121.576 0.100 . 1 . . . . 53 Asn N . 17325 1 570 . 1 1 53 53 ASN ND2 N 15 112.960 0.100 . 1 . . . . 53 Asn ND2 . 17325 1 571 . 1 1 54 54 PRO HA H 1 4.360 0.02 . 1 . . . . 54 Pro HA . 17325 1 572 . 1 1 54 54 PRO HB2 H 1 1.926 0.02 . 2 . . . . 54 Pro HB2 . 17325 1 573 . 1 1 54 54 PRO HB3 H 1 2.249 0.02 . 2 . . . . 54 Pro HB3 . 17325 1 574 . 1 1 54 54 PRO HG2 H 1 1.971 0.02 . 2 . . . . 54 Pro HG2 . 17325 1 575 . 1 1 54 54 PRO HG3 H 1 1.981 0.02 . 2 . . . . 54 Pro HG3 . 17325 1 576 . 1 1 54 54 PRO HD2 H 1 3.744 0.02 . 2 . . . . 54 Pro HD2 . 17325 1 577 . 1 1 54 54 PRO HD3 H 1 3.757 0.02 . 2 . . . . 54 Pro HD3 . 17325 1 578 . 1 1 54 54 PRO C C 13 176.704 0.100 . 1 . . . . 54 Pro C . 17325 1 579 . 1 1 54 54 PRO CA C 13 63.338 0.100 . 1 . . . . 54 Pro CA . 17325 1 580 . 1 1 54 54 PRO CB C 13 32.043 0.100 . 1 . . . . 54 Pro CB . 17325 1 581 . 1 1 54 54 PRO CG C 13 26.792 0.100 . 1 . . . . 54 Pro CG . 17325 1 582 . 1 1 54 54 PRO CD C 13 50.704 0.100 . 1 . . . . 54 Pro CD . 17325 1 583 . 1 1 55 55 ASN H H 1 8.393 0.02 . 1 . . . . 55 Asn H . 17325 1 584 . 1 1 55 55 ASN HA H 1 4.649 0.02 . 1 . . . . 55 Asn HA . 17325 1 585 . 1 1 55 55 ASN HB2 H 1 2.768 0.02 . 2 . . . . 55 Asn HB2 . 17325 1 586 . 1 1 55 55 ASN HB3 H 1 2.756 0.02 . 2 . . . . 55 Asn HB3 . 17325 1 587 . 1 1 55 55 ASN HD21 H 1 6.951 0.02 . 1 . . . . 55 Asn HD21 . 17325 1 588 . 1 1 55 55 ASN HD22 H 1 7.616 0.02 . 1 . . . . 55 Asn HD22 . 17325 1 589 . 1 1 55 55 ASN C C 13 175.343 0.100 . 1 . . . . 55 Asn C . 17325 1 590 . 1 1 55 55 ASN CA C 13 53.222 0.100 . 1 . . . . 55 Asn CA . 17325 1 591 . 1 1 55 55 ASN CB C 13 38.826 0.100 . 1 . . . . 55 Asn CB . 17325 1 592 . 1 1 55 55 ASN CG C 13 177.071 0.100 . 1 . . . . 55 Asn CG . 17325 1 593 . 1 1 55 55 ASN N N 15 118.460 0.100 . 1 . . . . 55 Asn N . 17325 1 594 . 1 1 55 55 ASN ND2 N 15 113.212 0.100 . 1 . . . . 55 Asn ND2 . 17325 1 595 . 1 1 56 56 LYS H H 1 8.189 0.02 . 1 . . . . 56 Lys H . 17325 1 596 . 1 1 56 56 LYS HA H 1 4.246 0.02 . 1 . . . . 56 Lys HA . 17325 1 597 . 1 1 56 56 LYS HB2 H 1 1.736 0.02 . 2 . . . . 56 Lys HB2 . 17325 1 598 . 1 1 56 56 LYS HB3 H 1 1.799 0.02 . 2 . . . . 56 Lys HB3 . 17325 1 599 . 1 1 56 56 LYS HG2 H 1 1.387 0.02 . 2 . . . . 56 Lys HG2 . 17325 1 600 . 1 1 56 56 LYS HG3 H 1 1.406 0.02 . 2 . . . . 56 Lys HG3 . 17325 1 601 . 1 1 56 56 LYS HD2 H 1 1.656 0.02 . 2 . . . . 56 Lys HD2 . 17325 1 602 . 1 1 56 56 LYS HD3 H 1 1.638 0.02 . 2 . . . . 56 Lys HD3 . 17325 1 603 . 1 1 56 56 LYS HE2 H 1 2.978 0.02 . 2 . . . . 56 Lys HE2 . 17325 1 604 . 1 1 56 56 LYS HE3 H 1 2.963 0.02 . 2 . . . . 56 Lys HE3 . 17325 1 605 . 1 1 56 56 LYS C C 13 176.523 0.100 . 1 . . . . 56 Lys C . 17325 1 606 . 1 1 56 56 LYS CA C 13 56.454 0.100 . 1 . . . . 56 Lys CA . 17325 1 607 . 1 1 56 56 LYS CB C 13 32.877 0.100 . 1 . . . . 56 Lys CB . 17325 1 608 . 1 1 56 56 LYS CG C 13 24.396 0.100 . 1 . . . . 56 Lys CG . 17325 1 609 . 1 1 56 56 LYS CD C 13 28.892 0.100 . 1 . . . . 56 Lys CD . 17325 1 610 . 1 1 56 56 LYS CE C 13 41.972 0.100 . 1 . . . . 56 Lys CE . 17325 1 611 . 1 1 56 56 LYS N N 15 121.729 0.100 . 1 . . . . 56 Lys N . 17325 1 612 . 1 1 57 57 GLU H H 1 8.363 0.02 . 1 . . . . 57 Glu H . 17325 1 613 . 1 1 57 57 GLU HA H 1 4.285 0.02 . 1 . . . . 57 Glu HA . 17325 1 614 . 1 1 57 57 GLU HB2 H 1 1.964 0.02 . 2 . . . . 57 Glu HB2 . 17325 1 615 . 1 1 57 57 GLU HB3 H 1 2.084 0.02 . 2 . . . . 57 Glu HB3 . 17325 1 616 . 1 1 57 57 GLU HG2 H 1 2.262 0.02 . 2 . . . . 57 Glu HG2 . 17325 1 617 . 1 1 57 57 GLU HG3 H 1 2.275 0.02 . 2 . . . . 57 Glu HG3 . 17325 1 618 . 1 1 57 57 GLU C C 13 176.156 0.100 . 1 . . . . 57 Glu C . 17325 1 619 . 1 1 57 57 GLU CA C 13 56.444 0.100 . 1 . . . . 57 Glu CA . 17325 1 620 . 1 1 57 57 GLU CB C 13 30.191 0.100 . 1 . . . . 57 Glu CB . 17325 1 621 . 1 1 57 57 GLU CG C 13 35.966 0.100 . 1 . . . . 57 Glu CG . 17325 1 622 . 1 1 57 57 GLU N N 15 121.666 0.100 . 1 . . . . 57 Glu N . 17325 1 623 . 1 1 58 58 ASP H H 1 8.309 0.02 . 1 . . . . 58 Asp H . 17325 1 624 . 1 1 58 58 ASP HA H 1 4.546 0.02 . 1 . . . . 58 Asp HA . 17325 1 625 . 1 1 58 58 ASP HB2 H 1 2.602 0.02 . 2 . . . . 58 Asp HB2 . 17325 1 626 . 1 1 58 58 ASP HB3 H 1 2.637 0.02 . 2 . . . . 58 Asp HB3 . 17325 1 627 . 1 1 58 58 ASP C C 13 176.228 0.100 . 1 . . . . 58 Asp C . 17325 1 628 . 1 1 58 58 ASP CA C 13 54.285 0.100 . 1 . . . . 58 Asp CA . 17325 1 629 . 1 1 58 58 ASP CB C 13 41.084 0.100 . 1 . . . . 58 Asp CB . 17325 1 630 . 1 1 58 58 ASP N N 15 122.147 0.100 . 1 . . . . 58 Asp N . 17325 1 631 . 1 1 59 59 LYS H H 1 8.242 0.02 . 1 . . . . 59 Lys H . 17325 1 632 . 1 1 59 59 LYS HA H 1 4.333 0.02 . 1 . . . . 59 Lys HA . 17325 1 633 . 1 1 59 59 LYS HB2 H 1 1.756 0.02 . 2 . . . . 59 Lys HB2 . 17325 1 634 . 1 1 59 59 LYS HB3 H 1 1.894 0.02 . 2 . . . . 59 Lys HB3 . 17325 1 635 . 1 1 59 59 LYS HG2 H 1 1.439 0.02 . 2 . . . . 59 Lys HG2 . 17325 1 636 . 1 1 59 59 LYS HG3 H 1 1.449 0.02 . 2 . . . . 59 Lys HG3 . 17325 1 637 . 1 1 59 59 LYS HD2 H 1 1.719 0.02 . 2 . . . . 59 Lys HD2 . 17325 1 638 . 1 1 59 59 LYS HD3 H 1 1.730 0.02 . 2 . . . . 59 Lys HD3 . 17325 1 639 . 1 1 59 59 LYS HE2 H 1 2.982 0.02 . 2 . . . . 59 Lys HE2 . 17325 1 640 . 1 1 59 59 LYS HE3 H 1 2.967 0.02 . 2 . . . . 59 Lys HE3 . 17325 1 641 . 1 1 59 59 LYS C C 13 176.450 0.100 . 1 . . . . 59 Lys C . 17325 1 642 . 1 1 59 59 LYS CA C 13 55.849 0.100 . 1 . . . . 59 Lys CA . 17325 1 643 . 1 1 59 59 LYS CB C 13 32.587 0.100 . 1 . . . . 59 Lys CB . 17325 1 644 . 1 1 59 59 LYS N N 15 121.924 0.100 . 1 . . . . 59 Lys N . 17325 1 645 . 1 1 60 60 ARG H H 1 8.206 0.02 . 1 . . . . 60 Arg H . 17325 1 646 . 1 1 60 60 ARG HA H 1 4.578 0.02 . 1 . . . . 60 Arg HA . 17325 1 647 . 1 1 60 60 ARG HB2 H 1 1.745 0.02 . 2 . . . . 60 Arg HB2 . 17325 1 648 . 1 1 60 60 ARG HB3 H 1 1.724 0.02 . 2 . . . . 60 Arg HB3 . 17325 1 649 . 1 1 60 60 ARG HD2 H 1 3.244 0.02 . 2 . . . . 60 Arg HD2 . 17325 1 650 . 1 1 60 60 ARG HD3 H 1 3.236 0.02 . 2 . . . . 60 Arg HD3 . 17325 1 651 . 1 1 60 60 ARG C C 13 174.301 0.100 . 1 . . . . 60 Arg C . 17325 1 652 . 1 1 60 60 ARG CA C 13 54.015 0.100 . 1 . . . . 60 Arg CA . 17325 1 653 . 1 1 60 60 ARG CB C 13 29.901 0.100 . 1 . . . . 60 Arg CB . 17325 1 654 . 1 1 60 60 ARG N N 15 122.969 0.100 . 1 . . . . 60 Arg N . 17325 1 655 . 1 1 61 61 PRO HA H 1 4.398 0.02 . 1 . . . . 61 Pro HA . 17325 1 656 . 1 1 61 61 PRO HB2 H 1 1.851 0.02 . 2 . . . . 61 Pro HB2 . 17325 1 657 . 1 1 61 61 PRO HB3 H 1 2.258 0.02 . 2 . . . . 61 Pro HB3 . 17325 1 658 . 1 1 61 61 PRO HG2 H 1 1.983 0.02 . 2 . . . . 61 Pro HG2 . 17325 1 659 . 1 1 61 61 PRO HG3 H 1 2.003 0.02 . 2 . . . . 61 Pro HG3 . 17325 1 660 . 1 1 61 61 PRO HD2 H 1 3.601 0.02 . 2 . . . . 61 Pro HD2 . 17325 1 661 . 1 1 61 61 PRO HD3 H 1 3.764 0.02 . 2 . . . . 61 Pro HD3 . 17325 1 662 . 1 1 61 61 PRO C C 13 176.906 0.100 . 1 . . . . 61 Pro C . 17325 1 663 . 1 1 61 61 PRO CA C 13 62.928 0.100 . 1 . . . . 61 Pro CA . 17325 1 664 . 1 1 61 61 PRO CB C 13 32.028 0.100 . 1 . . . . 61 Pro CB . 17325 1 665 . 1 1 61 61 PRO CG C 13 27.112 0.100 . 1 . . . . 61 Pro CG . 17325 1 666 . 1 1 61 61 PRO CD C 13 50.594 0.100 . 1 . . . . 61 Pro CD . 17325 1 667 . 1 1 62 62 ARG H H 1 8.487 0.02 . 1 . . . . 62 Arg H . 17325 1 668 . 1 1 62 62 ARG HA H 1 4.328 0.02 . 1 . . . . 62 Arg HA . 17325 1 669 . 1 1 62 62 ARG HB2 H 1 1.779 0.02 . 2 . . . . 62 Arg HB2 . 17325 1 670 . 1 1 62 62 ARG HB3 H 1 1.808 0.02 . 2 . . . . 62 Arg HB3 . 17325 1 671 . 1 1 62 62 ARG HG2 H 1 1.631 0.02 . 2 . . . . 62 Arg HG2 . 17325 1 672 . 1 1 62 62 ARG HG3 H 1 1.611 0.02 . 2 . . . . 62 Arg HG3 . 17325 1 673 . 1 1 62 62 ARG HD2 H 1 3.163 0.02 . 2 . . . . 62 Arg HD2 . 17325 1 674 . 1 1 62 62 ARG HD3 H 1 3.186 0.02 . 2 . . . . 62 Arg HD3 . 17325 1 675 . 1 1 62 62 ARG C C 13 176.536 0.100 . 1 . . . . 62 Arg C . 17325 1 676 . 1 1 62 62 ARG CA C 13 56.043 0.100 . 1 . . . . 62 Arg CA . 17325 1 677 . 1 1 62 62 ARG CB C 13 30.746 0.100 . 1 . . . . 62 Arg CB . 17325 1 678 . 1 1 62 62 ARG CG C 13 26.464 0.100 . 1 . . . . 62 Arg CG . 17325 1 679 . 1 1 62 62 ARG CD C 13 43.180 0.100 . 1 . . . . 62 Arg CD . 17325 1 680 . 1 1 62 62 ARG N N 15 121.744 0.100 . 1 . . . . 62 Arg N . 17325 1 681 . 1 1 63 63 THR H H 1 8.114 0.02 . 1 . . . . 63 Thr H . 17325 1 682 . 1 1 63 63 THR HA H 1 4.210 0.02 . 1 . . . . 63 Thr HA . 17325 1 683 . 1 1 63 63 THR HB H 1 4.064 0.02 . 1 . . . . 63 Thr HB . 17325 1 684 . 1 1 63 63 THR HG21 H 1 1.072 0.02 . 1 . . . . 63 Thr HG21 . 17325 1 685 . 1 1 63 63 THR HG22 H 1 1.072 0.02 . 1 . . . . 63 Thr HG22 . 17325 1 686 . 1 1 63 63 THR HG23 H 1 1.072 0.02 . 1 . . . . 63 Thr HG23 . 17325 1 687 . 1 1 63 63 THR C C 13 173.686 0.100 . 1 . . . . 63 Thr C . 17325 1 688 . 1 1 63 63 THR CA C 13 61.343 0.100 . 1 . . . . 63 Thr CA . 17325 1 689 . 1 1 63 63 THR CB C 13 69.734 0.100 . 1 . . . . 63 Thr CB . 17325 1 690 . 1 1 63 63 THR CG2 C 13 21.254 0.100 . 1 . . . . 63 Thr CG2 . 17325 1 691 . 1 1 63 63 THR N N 15 115.424 0.100 . 1 . . . . 63 Thr N . 17325 1 692 . 1 1 64 64 ALA H H 1 8.137 0.02 . 1 . . . . 64 Ala H . 17325 1 693 . 1 1 64 64 ALA HA H 1 4.274 0.02 . 1 . . . . 64 Ala HA . 17325 1 694 . 1 1 64 64 ALA HB1 H 1 1.216 0.02 . 1 . . . . 64 Ala HB1 . 17325 1 695 . 1 1 64 64 ALA HB2 H 1 1.216 0.02 . 1 . . . . 64 Ala HB2 . 17325 1 696 . 1 1 64 64 ALA HB3 H 1 1.216 0.02 . 1 . . . . 64 Ala HB3 . 17325 1 697 . 1 1 64 64 ALA C C 13 177.147 0.100 . 1 . . . . 64 Ala C . 17325 1 698 . 1 1 64 64 ALA CA C 13 51.867 0.100 . 1 . . . . 64 Ala CA . 17325 1 699 . 1 1 64 64 ALA CB C 13 19.433 0.100 . 1 . . . . 64 Ala CB . 17325 1 700 . 1 1 64 64 ALA N N 15 126.851 0.100 . 1 . . . . 64 Ala N . 17325 1 701 . 1 1 65 65 PHE H H 1 8.023 0.02 . 1 . . . . 65 Phe H . 17325 1 702 . 1 1 65 65 PHE HA H 1 4.994 0.02 . 1 . . . . 65 Phe HA . 17325 1 703 . 1 1 65 65 PHE HB2 H 1 2.759 0.02 . 2 . . . . 65 Phe HB2 . 17325 1 704 . 1 1 65 65 PHE HB3 H 1 3.228 0.02 . 2 . . . . 65 Phe HB3 . 17325 1 705 . 1 1 65 65 PHE HD1 H 1 7.068 0.02 . 3 . . . . 65 Phe HD1 . 17325 1 706 . 1 1 65 65 PHE HD2 H 1 7.068 0.02 . 3 . . . . 65 Phe HD2 . 17325 1 707 . 1 1 65 65 PHE HE1 H 1 7.127 0.02 . 3 . . . . 65 Phe HE1 . 17325 1 708 . 1 1 65 65 PHE HE2 H 1 7.127 0.02 . 3 . . . . 65 Phe HE2 . 17325 1 709 . 1 1 65 65 PHE C C 13 177.140 0.100 . 1 . . . . 65 Phe C . 17325 1 710 . 1 1 65 65 PHE CA C 13 56.002 0.100 . 1 . . . . 65 Phe CA . 17325 1 711 . 1 1 65 65 PHE CB C 13 40.592 0.100 . 1 . . . . 65 Phe CB . 17325 1 712 . 1 1 65 65 PHE N N 15 119.110 0.100 . 1 . . . . 65 Phe N . 17325 1 713 . 1 1 66 66 THR H H 1 8.943 0.02 . 1 . . . . 66 Thr H . 17325 1 714 . 1 1 66 66 THR HA H 1 4.423 0.02 . 1 . . . . 66 Thr HA . 17325 1 715 . 1 1 66 66 THR HB H 1 4.742 0.02 . 1 . . . . 66 Thr HB . 17325 1 716 . 1 1 66 66 THR HG21 H 1 1.288 0.02 . 1 . . . . 66 Thr HG21 . 17325 1 717 . 1 1 66 66 THR HG22 H 1 1.288 0.02 . 1 . . . . 66 Thr HG22 . 17325 1 718 . 1 1 66 66 THR HG23 H 1 1.288 0.02 . 1 . . . . 66 Thr HG23 . 17325 1 719 . 1 1 66 66 THR C C 13 175.285 0.100 . 1 . . . . 66 Thr C . 17325 1 720 . 1 1 66 66 THR CA C 13 60.508 0.100 . 1 . . . . 66 Thr CA . 17325 1 721 . 1 1 66 66 THR CB C 13 70.917 0.100 . 1 . . . . 66 Thr CB . 17325 1 722 . 1 1 66 66 THR CG2 C 13 21.405 0.100 . 1 . . . . 66 Thr CG2 . 17325 1 723 . 1 1 66 66 THR N N 15 113.232 0.100 . 1 . . . . 66 Thr N . 17325 1 724 . 1 1 67 67 ALA H H 1 8.971 0.02 . 1 . . . . 67 Ala H . 17325 1 725 . 1 1 67 67 ALA HA H 1 4.045 0.02 . 1 . . . . 67 Ala HA . 17325 1 726 . 1 1 67 67 ALA HB1 H 1 1.442 0.02 . 1 . . . . 67 Ala HB1 . 17325 1 727 . 1 1 67 67 ALA HB2 H 1 1.442 0.02 . 1 . . . . 67 Ala HB2 . 17325 1 728 . 1 1 67 67 ALA HB3 H 1 1.442 0.02 . 1 . . . . 67 Ala HB3 . 17325 1 729 . 1 1 67 67 ALA C C 13 180.757 0.100 . 1 . . . . 67 Ala C . 17325 1 730 . 1 1 67 67 ALA CA C 13 55.598 0.100 . 1 . . . . 67 Ala CA . 17325 1 731 . 1 1 67 67 ALA CB C 13 17.782 0.100 . 1 . . . . 67 Ala CB . 17325 1 732 . 1 1 67 67 ALA N N 15 123.560 0.100 . 1 . . . . 67 Ala N . 17325 1 733 . 1 1 68 68 GLU H H 1 8.724 0.02 . 1 . . . . 68 Glu H . 17325 1 734 . 1 1 68 68 GLU HA H 1 3.978 0.02 . 1 . . . . 68 Glu HA . 17325 1 735 . 1 1 68 68 GLU HB2 H 1 1.882 0.02 . 2 . . . . 68 Glu HB2 . 17325 1 736 . 1 1 68 68 GLU HB3 H 1 2.040 0.02 . 2 . . . . 68 Glu HB3 . 17325 1 737 . 1 1 68 68 GLU HG2 H 1 2.291 0.02 . 2 . . . . 68 Glu HG2 . 17325 1 738 . 1 1 68 68 GLU HG3 H 1 2.314 0.02 . 2 . . . . 68 Glu HG3 . 17325 1 739 . 1 1 68 68 GLU C C 13 179.805 0.100 . 1 . . . . 68 Glu C . 17325 1 740 . 1 1 68 68 GLU CA C 13 59.903 0.100 . 1 . . . . 68 Glu CA . 17325 1 741 . 1 1 68 68 GLU CB C 13 29.009 0.100 . 1 . . . . 68 Glu CB . 17325 1 742 . 1 1 68 68 GLU CG C 13 36.438 0.100 . 1 . . . . 68 Glu CG . 17325 1 743 . 1 1 68 68 GLU N N 15 117.482 0.100 . 1 . . . . 68 Glu N . 17325 1 744 . 1 1 69 69 GLN H H 1 7.724 0.02 . 1 . . . . 69 Gln H . 17325 1 745 . 1 1 69 69 GLN HA H 1 3.768 0.02 . 1 . . . . 69 Gln HA . 17325 1 746 . 1 1 69 69 GLN HB2 H 1 1.424 0.02 . 2 . . . . 69 Gln HB2 . 17325 1 747 . 1 1 69 69 GLN HB3 H 1 2.564 0.02 . 2 . . . . 69 Gln HB3 . 17325 1 748 . 1 1 69 69 GLN HG2 H 1 2.274 0.02 . 2 . . . . 69 Gln HG2 . 17325 1 749 . 1 1 69 69 GLN HG3 H 1 2.626 0.02 . 2 . . . . 69 Gln HG3 . 17325 1 750 . 1 1 69 69 GLN HE21 H 1 6.701 0.02 . 1 . . . . 69 Gln HE21 . 17325 1 751 . 1 1 69 69 GLN HE22 H 1 7.500 0.02 . 1 . . . . 69 Gln HE22 . 17325 1 752 . 1 1 69 69 GLN C C 13 177.902 0.100 . 1 . . . . 69 Gln C . 17325 1 753 . 1 1 69 69 GLN CA C 13 58.863 0.100 . 1 . . . . 69 Gln CA . 17325 1 754 . 1 1 69 69 GLN CB C 13 27.623 0.100 . 1 . . . . 69 Gln CB . 17325 1 755 . 1 1 69 69 GLN CG C 13 34.478 0.100 . 1 . . . . 69 Gln CG . 17325 1 756 . 1 1 69 69 GLN CD C 13 178.510 0.100 . 1 . . . . 69 Gln CD . 17325 1 757 . 1 1 69 69 GLN N N 15 119.390 0.100 . 1 . . . . 69 Gln N . 17325 1 758 . 1 1 69 69 GLN NE2 N 15 110.139 0.100 . 1 . . . . 69 Gln NE2 . 17325 1 759 . 1 1 70 70 LEU H H 1 8.354 0.02 . 1 . . . . 70 Leu H . 17325 1 760 . 1 1 70 70 LEU HA H 1 3.561 0.02 . 1 . . . . 70 Leu HA . 17325 1 761 . 1 1 70 70 LEU HB2 H 1 1.506 0.02 . 2 . . . . 70 Leu HB2 . 17325 1 762 . 1 1 70 70 LEU HB3 H 1 1.690 0.02 . 2 . . . . 70 Leu HB3 . 17325 1 763 . 1 1 70 70 LEU HG H 1 1.548 0.02 . 1 . . . . 70 Leu HG . 17325 1 764 . 1 1 70 70 LEU HD11 H 1 0.857 0.02 . 2 . . . . 70 Leu HD11 . 17325 1 765 . 1 1 70 70 LEU HD12 H 1 0.857 0.02 . 2 . . . . 70 Leu HD12 . 17325 1 766 . 1 1 70 70 LEU HD13 H 1 0.857 0.02 . 2 . . . . 70 Leu HD13 . 17325 1 767 . 1 1 70 70 LEU HD21 H 1 0.877 0.02 . 2 . . . . 70 Leu HD21 . 17325 1 768 . 1 1 70 70 LEU HD22 H 1 0.877 0.02 . 2 . . . . 70 Leu HD22 . 17325 1 769 . 1 1 70 70 LEU HD23 H 1 0.877 0.02 . 2 . . . . 70 Leu HD23 . 17325 1 770 . 1 1 70 70 LEU C C 13 178.708 0.100 . 1 . . . . 70 Leu C . 17325 1 771 . 1 1 70 70 LEU CA C 13 57.858 0.100 . 1 . . . . 70 Leu CA . 17325 1 772 . 1 1 70 70 LEU CB C 13 41.702 0.100 . 1 . . . . 70 Leu CB . 17325 1 773 . 1 1 70 70 LEU CG C 13 26.936 0.100 . 1 . . . . 70 Leu CG . 17325 1 774 . 1 1 70 70 LEU CD1 C 13 23.907 0.100 . 2 . . . . 70 Leu CD1 . 17325 1 775 . 1 1 70 70 LEU CD2 C 13 24.124 0.100 . 2 . . . . 70 Leu CD2 . 17325 1 776 . 1 1 70 70 LEU N N 15 117.912 0.100 . 1 . . . . 70 Leu N . 17325 1 777 . 1 1 71 71 GLN H H 1 8.123 0.02 . 1 . . . . 71 Gln H . 17325 1 778 . 1 1 71 71 GLN HA H 1 3.904 0.02 . 1 . . . . 71 Gln HA . 17325 1 779 . 1 1 71 71 GLN HB2 H 1 2.111 0.02 . 2 . . . . 71 Gln HB2 . 17325 1 780 . 1 1 71 71 GLN HB3 H 1 2.125 0.02 . 2 . . . . 71 Gln HB3 . 17325 1 781 . 1 1 71 71 GLN HG2 H 1 2.428 0.02 . 2 . . . . 71 Gln HG2 . 17325 1 782 . 1 1 71 71 GLN HG3 H 1 2.438 0.02 . 2 . . . . 71 Gln HG3 . 17325 1 783 . 1 1 71 71 GLN HE21 H 1 6.838 0.02 . 1 . . . . 71 Gln HE21 . 17325 1 784 . 1 1 71 71 GLN HE22 H 1 7.382 0.02 . 1 . . . . 71 Gln HE22 . 17325 1 785 . 1 1 71 71 GLN C C 13 179.126 0.100 . 1 . . . . 71 Gln C . 17325 1 786 . 1 1 71 71 GLN CA C 13 58.977 0.100 . 1 . . . . 71 Gln CA . 17325 1 787 . 1 1 71 71 GLN CB C 13 28.091 0.100 . 1 . . . . 71 Gln CB . 17325 1 788 . 1 1 71 71 GLN CG C 13 33.459 0.100 . 1 . . . . 71 Gln CG . 17325 1 789 . 1 1 71 71 GLN CD C 13 180.102 0.100 . 1 . . . . 71 Gln CD . 17325 1 790 . 1 1 71 71 GLN N N 15 117.776 0.100 . 1 . . . . 71 Gln N . 17325 1 791 . 1 1 71 71 GLN NE2 N 15 111.390 0.100 . 1 . . . . 71 Gln NE2 . 17325 1 792 . 1 1 72 72 ARG H H 1 7.449 0.02 . 1 . . . . 72 Arg H . 17325 1 793 . 1 1 72 72 ARG HA H 1 4.167 0.02 . 1 . . . . 72 Arg HA . 17325 1 794 . 1 1 72 72 ARG HB2 H 1 1.820 0.02 . 2 . . . . 72 Arg HB2 . 17325 1 795 . 1 1 72 72 ARG HB3 H 1 1.634 0.02 . 2 . . . . 72 Arg HB3 . 17325 1 796 . 1 1 72 72 ARG HG2 H 1 1.394 0.02 . 2 . . . . 72 Arg HG2 . 17325 1 797 . 1 1 72 72 ARG HG3 H 1 1.421 0.02 . 2 . . . . 72 Arg HG3 . 17325 1 798 . 1 1 72 72 ARG HD2 H 1 3.089 0.02 . 2 . . . . 72 Arg HD2 . 17325 1 799 . 1 1 72 72 ARG HD3 H 1 3.285 0.02 . 2 . . . . 72 Arg HD3 . 17325 1 800 . 1 1 72 72 ARG C C 13 178.621 0.100 . 1 . . . . 72 Arg C . 17325 1 801 . 1 1 72 72 ARG CA C 13 57.454 0.100 . 1 . . . . 72 Arg CA . 17325 1 802 . 1 1 72 72 ARG CB C 13 28.865 0.100 . 1 . . . . 72 Arg CB . 17325 1 803 . 1 1 72 72 ARG CG C 13 26.913 0.100 . 1 . . . . 72 Arg CG . 17325 1 804 . 1 1 72 72 ARG CD C 13 41.254 0.100 . 1 . . . . 72 Arg CD . 17325 1 805 . 1 1 72 72 ARG N N 15 119.229 0.100 . 1 . . . . 72 Arg N . 17325 1 806 . 1 1 73 73 LEU H H 1 8.144 0.02 . 1 . . . . 73 Leu H . 17325 1 807 . 1 1 73 73 LEU HA H 1 3.592 0.02 . 1 . . . . 73 Leu HA . 17325 1 808 . 1 1 73 73 LEU HB2 H 1 -0.405 0.02 . 2 . . . . 73 Leu HB2 . 17325 1 809 . 1 1 73 73 LEU HB3 H 1 0.692 0.02 . 2 . . . . 73 Leu HB3 . 17325 1 810 . 1 1 73 73 LEU HG H 1 1.135 0.02 . 1 . . . . 73 Leu HG . 17325 1 811 . 1 1 73 73 LEU HD11 H 1 -0.564 0.02 . 2 . . . . 73 Leu HD11 . 17325 1 812 . 1 1 73 73 LEU HD12 H 1 -0.564 0.02 . 2 . . . . 73 Leu HD12 . 17325 1 813 . 1 1 73 73 LEU HD13 H 1 -0.564 0.02 . 2 . . . . 73 Leu HD13 . 17325 1 814 . 1 1 73 73 LEU HD21 H 1 0.429 0.02 . 2 . . . . 73 Leu HD21 . 17325 1 815 . 1 1 73 73 LEU HD22 H 1 0.429 0.02 . 2 . . . . 73 Leu HD22 . 17325 1 816 . 1 1 73 73 LEU HD23 H 1 0.429 0.02 . 2 . . . . 73 Leu HD23 . 17325 1 817 . 1 1 73 73 LEU C C 13 178.249 0.100 . 1 . . . . 73 Leu C . 17325 1 818 . 1 1 73 73 LEU CA C 13 58.268 0.100 . 1 . . . . 73 Leu CA . 17325 1 819 . 1 1 73 73 LEU CB C 13 38.611 0.100 . 1 . . . . 73 Leu CB . 17325 1 820 . 1 1 73 73 LEU CG C 13 25.829 0.100 . 1 . . . . 73 Leu CG . 17325 1 821 . 1 1 73 73 LEU CD1 C 13 23.961 0.100 . 2 . . . . 73 Leu CD1 . 17325 1 822 . 1 1 73 73 LEU CD2 C 13 22.458 0.100 . 2 . . . . 73 Leu CD2 . 17325 1 823 . 1 1 73 73 LEU N N 15 120.789 0.100 . 1 . . . . 73 Leu N . 17325 1 824 . 1 1 74 74 LYS H H 1 8.236 0.02 . 1 . . . . 74 Lys H . 17325 1 825 . 1 1 74 74 LYS HA H 1 3.954 0.02 . 1 . . . . 74 Lys HA . 17325 1 826 . 1 1 74 74 LYS HB2 H 1 1.885 0.02 . 2 . . . . 74 Lys HB2 . 17325 1 827 . 1 1 74 74 LYS HB3 H 1 1.894 0.02 . 2 . . . . 74 Lys HB3 . 17325 1 828 . 1 1 74 74 LYS HG2 H 1 1.674 0.02 . 2 . . . . 74 Lys HG2 . 17325 1 829 . 1 1 74 74 LYS HG3 H 1 1.703 0.02 . 2 . . . . 74 Lys HG3 . 17325 1 830 . 1 1 74 74 LYS HD2 H 1 1.439 0.02 . 2 . . . . 74 Lys HD2 . 17325 1 831 . 1 1 74 74 LYS HD3 H 1 1.731 0.02 . 2 . . . . 74 Lys HD3 . 17325 1 832 . 1 1 74 74 LYS HE2 H 1 2.923 0.02 . 2 . . . . 74 Lys HE2 . 17325 1 833 . 1 1 74 74 LYS HE3 H 1 2.948 0.02 . 2 . . . . 74 Lys HE3 . 17325 1 834 . 1 1 74 74 LYS C C 13 179.376 0.100 . 1 . . . . 74 Lys C . 17325 1 835 . 1 1 74 74 LYS CA C 13 60.592 0.100 . 1 . . . . 74 Lys CA . 17325 1 836 . 1 1 74 74 LYS CB C 13 32.423 0.100 . 1 . . . . 74 Lys CB . 17325 1 837 . 1 1 74 74 LYS CG C 13 26.238 0.100 . 1 . . . . 74 Lys CG . 17325 1 838 . 1 1 74 74 LYS CD C 13 29.714 0.100 . 1 . . . . 74 Lys CD . 17325 1 839 . 1 1 74 74 LYS CE C 13 41.861 0.100 . 1 . . . . 74 Lys CE . 17325 1 840 . 1 1 74 74 LYS N N 15 117.691 0.100 . 1 . . . . 74 Lys N . 17325 1 841 . 1 1 75 75 ALA H H 1 7.730 0.02 . 1 . . . . 75 Ala H . 17325 1 842 . 1 1 75 75 ALA HA H 1 4.170 0.02 . 1 . . . . 75 Ala HA . 17325 1 843 . 1 1 75 75 ALA HB1 H 1 1.533 0.02 . 1 . . . . 75 Ala HB1 . 17325 1 844 . 1 1 75 75 ALA HB2 H 1 1.533 0.02 . 1 . . . . 75 Ala HB2 . 17325 1 845 . 1 1 75 75 ALA HB3 H 1 1.533 0.02 . 1 . . . . 75 Ala HB3 . 17325 1 846 . 1 1 75 75 ALA C C 13 181.123 0.100 . 1 . . . . 75 Ala C . 17325 1 847 . 1 1 75 75 ALA CA C 13 55.032 0.100 . 1 . . . . 75 Ala CA . 17325 1 848 . 1 1 75 75 ALA CB C 13 18.041 0.100 . 1 . . . . 75 Ala CB . 17325 1 849 . 1 1 75 75 ALA N N 15 122.000 0.100 . 1 . . . . 75 Ala N . 17325 1 850 . 1 1 76 76 GLU H H 1 8.402 0.02 . 1 . . . . 76 Glu H . 17325 1 851 . 1 1 76 76 GLU HA H 1 4.066 0.02 . 1 . . . . 76 Glu HA . 17325 1 852 . 1 1 76 76 GLU HB2 H 1 2.340 0.02 . 2 . . . . 76 Glu HB2 . 17325 1 853 . 1 1 76 76 GLU HB3 H 1 2.323 0.02 . 2 . . . . 76 Glu HB3 . 17325 1 854 . 1 1 76 76 GLU HG2 H 1 2.554 0.02 . 2 . . . . 76 Glu HG2 . 17325 1 855 . 1 1 76 76 GLU HG3 H 1 2.571 0.02 . 2 . . . . 76 Glu HG3 . 17325 1 856 . 1 1 76 76 GLU C C 13 178.919 0.100 . 1 . . . . 76 Glu C . 17325 1 857 . 1 1 76 76 GLU CA C 13 58.884 0.100 . 1 . . . . 76 Glu CA . 17325 1 858 . 1 1 76 76 GLU CB C 13 28.535 0.100 . 1 . . . . 76 Glu CB . 17325 1 859 . 1 1 76 76 GLU CG C 13 35.758 0.100 . 1 . . . . 76 Glu CG . 17325 1 860 . 1 1 76 76 GLU N N 15 119.382 0.100 . 1 . . . . 76 Glu N . 17325 1 861 . 1 1 77 77 PHE H H 1 8.793 0.02 . 1 . . . . 77 Phe H . 17325 1 862 . 1 1 77 77 PHE HA H 1 4.288 0.02 . 1 . . . . 77 Phe HA . 17325 1 863 . 1 1 77 77 PHE HB2 H 1 2.973 0.02 . 2 . . . . 77 Phe HB2 . 17325 1 864 . 1 1 77 77 PHE HB3 H 1 3.126 0.02 . 2 . . . . 77 Phe HB3 . 17325 1 865 . 1 1 77 77 PHE HD1 H 1 6.864 0.02 . 3 . . . . 77 Phe HD1 . 17325 1 866 . 1 1 77 77 PHE HD2 H 1 6.864 0.02 . 3 . . . . 77 Phe HD2 . 17325 1 867 . 1 1 77 77 PHE HE1 H 1 7.152 0.02 . 3 . . . . 77 Phe HE1 . 17325 1 868 . 1 1 77 77 PHE HE2 H 1 7.152 0.02 . 3 . . . . 77 Phe HE2 . 17325 1 869 . 1 1 77 77 PHE HZ H 1 6.834 0.02 . 1 . . . . 77 Phe HZ . 17325 1 870 . 1 1 77 77 PHE C C 13 176.197 0.100 . 1 . . . . 77 Phe C . 17325 1 871 . 1 1 77 77 PHE CA C 13 60.812 0.100 . 1 . . . . 77 Phe CA . 17325 1 872 . 1 1 77 77 PHE CB C 13 39.322 0.100 . 1 . . . . 77 Phe CB . 17325 1 873 . 1 1 77 77 PHE CG C 13 138.99 0.100 . 1 . . . . 77 Phe CG . 17325 1 874 . 1 1 77 77 PHE CD1 C 13 132.24 0.100 . 1 . . . . 77 Phe CD . 17325 1 875 . 1 1 77 77 PHE CD2 C 13 132.24 0.100 . 1 . . . . 77 Phe CD . 17325 1 876 . 1 1 77 77 PHE CZ C 13 128.93 0.100 . 1 . . . . 77 Phe CZ . 17325 1 877 . 1 1 77 77 PHE N N 15 121.740 0.100 . 1 . . . . 77 Phe N . 17325 1 878 . 1 1 78 78 GLN H H 1 7.787 0.02 . 1 . . . . 78 Gln H . 17325 1 879 . 1 1 78 78 GLN HA H 1 3.950 0.02 . 1 . . . . 78 Gln HA . 17325 1 880 . 1 1 78 78 GLN HB2 H 1 2.217 0.02 . 2 . . . . 78 Gln HB2 . 17325 1 881 . 1 1 78 78 GLN HB3 H 1 2.201 0.02 . 2 . . . . 78 Gln HB3 . 17325 1 882 . 1 1 78 78 GLN HG2 H 1 2.542 0.02 . 2 . . . . 78 Gln HG2 . 17325 1 883 . 1 1 78 78 GLN HG3 H 1 2.526 0.02 . 2 . . . . 78 Gln HG3 . 17325 1 884 . 1 1 78 78 GLN HE21 H 1 6.880 0.02 . 1 . . . . 78 Gln HE21 . 17325 1 885 . 1 1 78 78 GLN HE22 H 1 7.509 0.02 . 1 . . . . 78 Gln HE22 . 17325 1 886 . 1 1 78 78 GLN C C 13 177.851 0.100 . 1 . . . . 78 Gln C . 17325 1 887 . 1 1 78 78 GLN CA C 13 57.874 0.100 . 1 . . . . 78 Gln CA . 17325 1 888 . 1 1 78 78 GLN CB C 13 28.514 0.100 . 1 . . . . 78 Gln CB . 17325 1 889 . 1 1 78 78 GLN CG C 13 33.921 0.100 . 1 . . . . 78 Gln CG . 17325 1 890 . 1 1 78 78 GLN CD C 13 180.491 0.100 . 1 . . . . 78 Gln CD . 17325 1 891 . 1 1 78 78 GLN N N 15 114.649 0.100 . 1 . . . . 78 Gln N . 17325 1 892 . 1 1 78 78 GLN NE2 N 15 111.786 0.100 . 1 . . . . 78 Gln NE2 . 17325 1 893 . 1 1 79 79 THR H H 1 7.572 0.02 . 1 . . . . 79 Thr H . 17325 1 894 . 1 1 79 79 THR HA H 1 4.058 0.02 . 1 . . . . 79 Thr HA . 17325 1 895 . 1 1 79 79 THR HB H 1 4.253 0.02 . 1 . . . . 79 Thr HB . 17325 1 896 . 1 1 79 79 THR HG21 H 1 1.243 0.02 . 1 . . . . 79 Thr HG21 . 17325 1 897 . 1 1 79 79 THR HG22 H 1 1.243 0.02 . 1 . . . . 79 Thr HG22 . 17325 1 898 . 1 1 79 79 THR HG23 H 1 1.243 0.02 . 1 . . . . 79 Thr HG23 . 17325 1 899 . 1 1 79 79 THR C C 13 174.679 0.100 . 1 . . . . 79 Thr C . 17325 1 900 . 1 1 79 79 THR CA C 13 64.958 0.100 . 1 . . . . 79 Thr CA . 17325 1 901 . 1 1 79 79 THR CB C 13 69.252 0.100 . 1 . . . . 79 Thr CB . 17325 1 902 . 1 1 79 79 THR CG2 C 13 21.358 0.100 . 1 . . . . 79 Thr CG2 . 17325 1 903 . 1 1 79 79 THR N N 15 113.783 0.100 . 1 . . . . 79 Thr N . 17325 1 904 . 1 1 80 80 ASN H H 1 8.164 0.02 . 1 . . . . 80 Asn H . 17325 1 905 . 1 1 80 80 ASN HA H 1 4.669 0.02 . 1 . . . . 80 Asn HA . 17325 1 906 . 1 1 80 80 ASN HB2 H 1 2.879 0.02 . 2 . . . . 80 Asn HB2 . 17325 1 907 . 1 1 80 80 ASN HB3 H 1 2.745 0.02 . 2 . . . . 80 Asn HB3 . 17325 1 908 . 1 1 80 80 ASN HD21 H 1 6.972 0.02 . 1 . . . . 80 Asn HD21 . 17325 1 909 . 1 1 80 80 ASN HD22 H 1 7.793 0.02 . 1 . . . . 80 Asn HD22 . 17325 1 910 . 1 1 80 80 ASN C C 13 173.630 0.100 . 1 . . . . 80 Asn C . 17325 1 911 . 1 1 80 80 ASN CA C 13 53.427 0.100 . 1 . . . . 80 Asn CA . 17325 1 912 . 1 1 80 80 ASN CB C 13 39.815 0.100 . 1 . . . . 80 Asn CB . 17325 1 913 . 1 1 80 80 ASN CG C 13 177.594 0.100 . 1 . . . . 80 Asn CG . 17325 1 914 . 1 1 80 80 ASN N N 15 119.041 0.100 . 1 . . . . 80 Asn N . 17325 1 915 . 1 1 80 80 ASN ND2 N 15 112.761 0.100 . 1 . . . . 80 Asn ND2 . 17325 1 916 . 1 1 81 81 ARG H H 1 8.293 0.02 . 1 . . . . 81 Arg H . 17325 1 917 . 1 1 81 81 ARG HA H 1 3.718 0.02 . 1 . . . . 81 Arg HA . 17325 1 918 . 1 1 81 81 ARG HB2 H 1 1.210 0.02 . 2 . . . . 81 Arg HB2 . 17325 1 919 . 1 1 81 81 ARG HB3 H 1 1.344 0.02 . 2 . . . . 81 Arg HB3 . 17325 1 920 . 1 1 81 81 ARG HG2 H 1 0.792 0.02 . 2 . . . . 81 Arg HG2 . 17325 1 921 . 1 1 81 81 ARG HG3 H 1 1.109 0.02 . 2 . . . . 81 Arg HG3 . 17325 1 922 . 1 1 81 81 ARG HD2 H 1 2.853 0.02 . 2 . . . . 81 Arg HD2 . 17325 1 923 . 1 1 81 81 ARG HD3 H 1 2.877 0.02 . 2 . . . . 81 Arg HD3 . 17325 1 924 . 1 1 81 81 ARG C C 13 174.677 0.100 . 1 . . . . 81 Arg C . 17325 1 925 . 1 1 81 81 ARG CA C 13 57.249 0.100 . 1 . . . . 81 Arg CA . 17325 1 926 . 1 1 81 81 ARG CB C 13 30.089 0.100 . 1 . . . . 81 Arg CB . 17325 1 927 . 1 1 81 81 ARG CG C 13 26.338 0.100 . 1 . . . . 81 Arg CG . 17325 1 928 . 1 1 81 81 ARG CD C 13 43.527 0.100 . 1 . . . . 81 Arg CD . 17325 1 929 . 1 1 81 81 ARG N N 15 122.482 0.100 . 1 . . . . 81 Arg N . 17325 1 930 . 1 1 82 82 TYR H H 1 7.866 0.02 . 1 . . . . 82 Tyr H . 17325 1 931 . 1 1 82 82 TYR HA H 1 4.572 0.02 . 1 . . . . 82 Tyr HA . 17325 1 932 . 1 1 82 82 TYR HB2 H 1 2.940 0.02 . 2 . . . . 82 Tyr HB2 . 17325 1 933 . 1 1 82 82 TYR HB3 H 1 2.769 0.02 . 2 . . . . 82 Tyr HB3 . 17325 1 934 . 1 1 82 82 TYR HD1 H 1 7.121 0.02 . 3 . . . . 82 Tyr HD1 . 17325 1 935 . 1 1 82 82 TYR HD2 H 1 7.121 0.02 . 3 . . . . 82 Tyr HD2 . 17325 1 936 . 1 1 82 82 TYR HE1 H 1 6.784 0.02 . 3 . . . . 82 Tyr HE1 . 17325 1 937 . 1 1 82 82 TYR HE2 H 1 6.784 0.02 . 3 . . . . 82 Tyr HE2 . 17325 1 938 . 1 1 82 82 TYR C C 13 175.051 0.100 . 1 . . . . 82 Tyr C . 17325 1 939 . 1 1 82 82 TYR CA C 13 56.862 0.100 . 1 . . . . 82 Tyr CA . 17325 1 940 . 1 1 82 82 TYR CB C 13 40.128 0.100 . 1 . . . . 82 Tyr CB . 17325 1 941 . 1 1 82 82 TYR CD1 C 13 133.1 0.100 . 1 . . . . 82 Tyr CD . 17325 1 942 . 1 1 82 82 TYR CD2 C 13 133.1 0.100 . 1 . . . . 82 Tyr CD . 17325 1 943 . 1 1 82 82 TYR CE1 C 13 117.9 0.100 . 1 . . . . 82 Tyr CE . 17325 1 944 . 1 1 82 82 TYR CE2 C 13 117.9 0.100 . 1 . . . . 82 Tyr CE . 17325 1 945 . 1 1 82 82 TYR CZ C 13 156.94 0.100 . 1 . . . . 82 Tyr CZ . 17325 1 946 . 1 1 82 82 TYR N N 15 116.416 0.100 . 1 . . . . 82 Tyr N . 17325 1 947 . 1 1 83 83 LEU H H 1 8.338 0.02 . 1 . . . . 83 Leu H . 17325 1 948 . 1 1 83 83 LEU HA H 1 4.408 0.02 . 1 . . . . 83 Leu HA . 17325 1 949 . 1 1 83 83 LEU HB2 H 1 1.281 0.02 . 2 . . . . 83 Leu HB2 . 17325 1 950 . 1 1 83 83 LEU HB3 H 1 1.269 0.02 . 2 . . . . 83 Leu HB3 . 17325 1 951 . 1 1 83 83 LEU HG H 1 0.860 0.02 . 1 . . . . 83 Leu HG . 17325 1 952 . 1 1 83 83 LEU HD11 H 1 0.239 0.02 . 2 . . . . 83 Leu HD11 . 17325 1 953 . 1 1 83 83 LEU HD12 H 1 0.239 0.02 . 2 . . . . 83 Leu HD12 . 17325 1 954 . 1 1 83 83 LEU HD13 H 1 0.239 0.02 . 2 . . . . 83 Leu HD13 . 17325 1 955 . 1 1 83 83 LEU HD21 H 1 0.388 0.02 . 2 . . . . 83 Leu HD21 . 17325 1 956 . 1 1 83 83 LEU HD22 H 1 0.388 0.02 . 2 . . . . 83 Leu HD22 . 17325 1 957 . 1 1 83 83 LEU HD23 H 1 0.388 0.02 . 2 . . . . 83 Leu HD23 . 17325 1 958 . 1 1 83 83 LEU C C 13 177.456 0.100 . 1 . . . . 83 Leu C . 17325 1 959 . 1 1 83 83 LEU CA C 13 53.583 0.100 . 1 . . . . 83 Leu CA . 17325 1 960 . 1 1 83 83 LEU CB C 13 43.766 0.100 . 1 . . . . 83 Leu CB . 17325 1 961 . 1 1 83 83 LEU CG C 13 25.726 0.100 . 1 . . . . 83 Leu CG . 17325 1 962 . 1 1 83 83 LEU CD1 C 13 23.609 0.100 . 2 . . . . 83 Leu CD1 . 17325 1 963 . 1 1 83 83 LEU CD2 C 13 25.380 0.100 . 2 . . . . 83 Leu CD2 . 17325 1 964 . 1 1 83 83 LEU N N 15 123.357 0.100 . 1 . . . . 83 Leu N . 17325 1 965 . 1 1 84 84 THR H H 1 7.532 0.02 . 1 . . . . 84 Thr H . 17325 1 966 . 1 1 84 84 THR HA H 1 4.394 0.02 . 1 . . . . 84 Thr HA . 17325 1 967 . 1 1 84 84 THR HB H 1 4.696 0.02 . 1 . . . . 84 Thr HB . 17325 1 968 . 1 1 84 84 THR HG21 H 1 1.328 0.02 . 1 . . . . 84 Thr HG21 . 17325 1 969 . 1 1 84 84 THR HG22 H 1 1.328 0.02 . 1 . . . . 84 Thr HG22 . 17325 1 970 . 1 1 84 84 THR HG23 H 1 1.328 0.02 . 1 . . . . 84 Thr HG23 . 17325 1 971 . 1 1 84 84 THR C C 13 175.148 0.100 . 1 . . . . 84 Thr C . 17325 1 972 . 1 1 84 84 THR CA C 13 60.308 0.100 . 1 . . . . 84 Thr CA . 17325 1 973 . 1 1 84 84 THR CB C 13 71.070 0.100 . 1 . . . . 84 Thr CB . 17325 1 974 . 1 1 84 84 THR CG2 C 13 21.795 0.100 . 1 . . . . 84 Thr CG2 . 17325 1 975 . 1 1 84 84 THR N N 15 113.349 0.100 . 1 . . . . 84 Thr N . 17325 1 976 . 1 1 85 85 GLU H H 1 9.002 0.02 . 1 . . . . 85 Glu H . 17325 1 977 . 1 1 85 85 GLU HA H 1 3.787 0.02 . 1 . . . . 85 Glu HA . 17325 1 978 . 1 1 85 85 GLU HB2 H 1 2.014 0.02 . 2 . . . . 85 Glu HB2 . 17325 1 979 . 1 1 85 85 GLU HB3 H 1 2.025 0.02 . 2 . . . . 85 Glu HB3 . 17325 1 980 . 1 1 85 85 GLU HG2 H 1 2.250 0.02 . 2 . . . . 85 Glu HG2 . 17325 1 981 . 1 1 85 85 GLU HG3 H 1 2.263 0.02 . 2 . . . . 85 Glu HG3 . 17325 1 982 . 1 1 85 85 GLU C C 13 178.483 0.100 . 1 . . . . 85 Glu C . 17325 1 983 . 1 1 85 85 GLU CA C 13 60.215 0.100 . 1 . . . . 85 Glu CA . 17325 1 984 . 1 1 85 85 GLU CB C 13 29.131 0.100 . 1 . . . . 85 Glu CB . 17325 1 985 . 1 1 85 85 GLU CG C 13 35.884 0.100 . 1 . . . . 85 Glu CG . 17325 1 986 . 1 1 85 85 GLU N N 15 121.935 0.100 . 1 . . . . 85 Glu N . 17325 1 987 . 1 1 86 86 GLN H H 1 8.472 0.02 . 1 . . . . 86 Gln H . 17325 1 988 . 1 1 86 86 GLN HA H 1 4.013 0.02 . 1 . . . . 86 Gln HA . 17325 1 989 . 1 1 86 86 GLN HB2 H 1 2.027 0.02 . 2 . . . . 86 Gln HB2 . 17325 1 990 . 1 1 86 86 GLN HB3 H 1 1.995 0.02 . 2 . . . . 86 Gln HB3 . 17325 1 991 . 1 1 86 86 GLN HG2 H 1 2.420 0.02 . 2 . . . . 86 Gln HG2 . 17325 1 992 . 1 1 86 86 GLN HG3 H 1 2.440 0.02 . 2 . . . . 86 Gln HG3 . 17325 1 993 . 1 1 86 86 GLN HE21 H 1 6.872 0.02 . 1 . . . . 86 Gln HE21 . 17325 1 994 . 1 1 86 86 GLN HE22 H 1 7.526 0.02 . 1 . . . . 86 Gln HE22 . 17325 1 995 . 1 1 86 86 GLN C C 13 178.807 0.100 . 1 . . . . 86 Gln C . 17325 1 996 . 1 1 86 86 GLN CA C 13 59.266 0.100 . 1 . . . . 86 Gln CA . 17325 1 997 . 1 1 86 86 GLN CB C 13 27.912 0.100 . 1 . . . . 86 Gln CB . 17325 1 998 . 1 1 86 86 GLN CG C 13 33.940 0.100 . 1 . . . . 86 Gln CG . 17325 1 999 . 1 1 86 86 GLN CD C 13 180.618 0.100 . 1 . . . . 86 Gln CD . 17325 1 1000 . 1 1 86 86 GLN N N 15 116.808 0.100 . 1 . . . . 86 Gln N . 17325 1 1001 . 1 1 86 86 GLN NE2 N 15 112.429 0.100 . 1 . . . . 86 Gln NE2 . 17325 1 1002 . 1 1 87 87 ARG H H 1 7.788 0.02 . 1 . . . . 87 Arg H . 17325 1 1003 . 1 1 87 87 ARG HA H 1 4.117 0.02 . 1 . . . . 87 Arg HA . 17325 1 1004 . 1 1 87 87 ARG HB2 H 1 1.760 0.02 . 2 . . . . 87 Arg HB2 . 17325 1 1005 . 1 1 87 87 ARG HB3 H 1 1.781 0.02 . 2 . . . . 87 Arg HB3 . 17325 1 1006 . 1 1 87 87 ARG HG2 H 1 1.595 0.02 . 2 . . . . 87 Arg HG2 . 17325 1 1007 . 1 1 87 87 ARG HG3 H 1 1.603 0.02 . 2 . . . . 87 Arg HG3 . 17325 1 1008 . 1 1 87 87 ARG HD2 H 1 3.114 0.02 . 2 . . . . 87 Arg HD2 . 17325 1 1009 . 1 1 87 87 ARG HD3 H 1 3.320 0.02 . 2 . . . . 87 Arg HD3 . 17325 1 1010 . 1 1 87 87 ARG C C 13 178.063 0.100 . 1 . . . . 87 Arg C . 17325 1 1011 . 1 1 87 87 ARG CA C 13 58.081 0.100 . 1 . . . . 87 Arg CA . 17325 1 1012 . 1 1 87 87 ARG CB C 13 30.024 0.100 . 1 . . . . 87 Arg CB . 17325 1 1013 . 1 1 87 87 ARG CG C 13 26.939 0.100 . 1 . . . . 87 Arg CG . 17325 1 1014 . 1 1 87 87 ARG CD C 13 42.913 0.100 . 1 . . . . 87 Arg CD . 17325 1 1015 . 1 1 87 87 ARG N N 15 120.962 0.100 . 1 . . . . 87 Arg N . 17325 1 1016 . 1 1 88 88 ARG H H 1 8.503 0.02 . 1 . . . . 88 Arg H . 17325 1 1017 . 1 1 88 88 ARG HA H 1 3.654 0.02 . 1 . . . . 88 Arg HA . 17325 1 1018 . 1 1 88 88 ARG HB2 H 1 1.720 0.02 . 2 . . . . 88 Arg HB2 . 17325 1 1019 . 1 1 88 88 ARG HB3 H 1 1.968 0.02 . 2 . . . . 88 Arg HB3 . 17325 1 1020 . 1 1 88 88 ARG HG2 H 1 1.483 0.02 . 2 . . . . 88 Arg HG2 . 17325 1 1021 . 1 1 88 88 ARG HG3 H 1 1.464 0.02 . 2 . . . . 88 Arg HG3 . 17325 1 1022 . 1 1 88 88 ARG HD2 H 1 3.265 0.02 . 2 . . . . 88 Arg HD2 . 17325 1 1023 . 1 1 88 88 ARG HD3 H 1 3.280 0.02 . 2 . . . . 88 Arg HD3 . 17325 1 1024 . 1 1 88 88 ARG C C 13 177.642 0.100 . 1 . . . . 88 Arg C . 17325 1 1025 . 1 1 88 88 ARG CA C 13 60.469 0.100 . 1 . . . . 88 Arg CA . 17325 1 1026 . 1 1 88 88 ARG CB C 13 30.082 0.100 . 1 . . . . 88 Arg CB . 17325 1 1027 . 1 1 88 88 ARG CG C 13 28.045 0.100 . 1 . . . . 88 Arg CG . 17325 1 1028 . 1 1 88 88 ARG CD C 13 43.245 0.100 . 1 . . . . 88 Arg CD . 17325 1 1029 . 1 1 88 88 ARG N N 15 119.645 0.100 . 1 . . . . 88 Arg N . 17325 1 1030 . 1 1 89 89 GLN H H 1 7.991 0.02 . 1 . . . . 89 Gln H . 17325 1 1031 . 1 1 89 89 GLN HA H 1 3.934 0.02 . 1 . . . . 89 Gln HA . 17325 1 1032 . 1 1 89 89 GLN HB2 H 1 2.170 0.02 . 2 . . . . 89 Gln HB2 . 17325 1 1033 . 1 1 89 89 GLN HB3 H 1 2.098 0.02 . 2 . . . . 89 Gln HB3 . 17325 1 1034 . 1 1 89 89 GLN HG2 H 1 2.552 0.02 . 2 . . . . 89 Gln HG2 . 17325 1 1035 . 1 1 89 89 GLN HG3 H 1 2.366 0.02 . 2 . . . . 89 Gln HG3 . 17325 1 1036 . 1 1 89 89 GLN HE21 H 1 7.570 0.02 . 1 . . . . 89 Gln HE21 . 17325 1 1037 . 1 1 89 89 GLN HE22 H 1 6.713 0.02 . 1 . . . . 89 Gln HE22 . 17325 1 1038 . 1 1 89 89 GLN C C 13 178.843 0.100 . 1 . . . . 89 Gln C . 17325 1 1039 . 1 1 89 89 GLN CA C 13 59.177 0.100 . 1 . . . . 89 Gln CA . 17325 1 1040 . 1 1 89 89 GLN CB C 13 28.184 0.100 . 1 . . . . 89 Gln CB . 17325 1 1041 . 1 1 89 89 GLN CG C 13 33.726 0.100 . 1 . . . . 89 Gln CG . 17325 1 1042 . 1 1 89 89 GLN CD C 13 180.175 0.100 . 1 . . . . 89 Gln CD . 17325 1 1043 . 1 1 89 89 GLN N N 15 116.783 0.100 . 1 . . . . 89 Gln N . 17325 1 1044 . 1 1 89 89 GLN NE2 N 15 110.934 0.100 . 1 . . . . 89 Gln NE2 . 17325 1 1045 . 1 1 90 90 SER H H 1 8.106 0.02 . 1 . . . . 90 Ser H . 17325 1 1046 . 1 1 90 90 SER HA H 1 4.220 0.02 . 1 . . . . 90 Ser HA . 17325 1 1047 . 1 1 90 90 SER HB2 H 1 3.961 0.02 . 2 . . . . 90 Ser HB2 . 17325 1 1048 . 1 1 90 90 SER HB3 H 1 3.969 0.02 . 2 . . . . 90 Ser HB3 . 17325 1 1049 . 1 1 90 90 SER C C 13 177.395 0.100 . 1 . . . . 90 Ser C . 17325 1 1050 . 1 1 90 90 SER CA C 13 61.575 0.100 . 1 . . . . 90 Ser CA . 17325 1 1051 . 1 1 90 90 SER CB C 13 62.478 0.100 . 1 . . . . 90 Ser CB . 17325 1 1052 . 1 1 90 90 SER N N 15 115.724 0.100 . 1 . . . . 90 Ser N . 17325 1 1053 . 1 1 91 91 LEU H H 1 8.599 0.02 . 1 . . . . 91 Leu H . 17325 1 1054 . 1 1 91 91 LEU HA H 1 4.033 0.02 . 1 . . . . 91 Leu HA . 17325 1 1055 . 1 1 91 91 LEU HB2 H 1 1.694 0.02 . 2 . . . . 91 Leu HB2 . 17325 1 1056 . 1 1 91 91 LEU HB3 H 1 1.351 0.02 . 2 . . . . 91 Leu HB3 . 17325 1 1057 . 1 1 91 91 LEU HG H 1 1.612 0.02 . 1 . . . . 91 Leu HG . 17325 1 1058 . 1 1 91 91 LEU HD11 H 1 0.737 0.02 . 2 . . . . 91 Leu HD11 . 17325 1 1059 . 1 1 91 91 LEU HD12 H 1 0.737 0.02 . 2 . . . . 91 Leu HD12 . 17325 1 1060 . 1 1 91 91 LEU HD13 H 1 0.737 0.02 . 2 . . . . 91 Leu HD13 . 17325 1 1061 . 1 1 91 91 LEU HD21 H 1 0.748 0.02 . 2 . . . . 91 Leu HD21 . 17325 1 1062 . 1 1 91 91 LEU HD22 H 1 0.748 0.02 . 2 . . . . 91 Leu HD22 . 17325 1 1063 . 1 1 91 91 LEU HD23 H 1 0.748 0.02 . 2 . . . . 91 Leu HD23 . 17325 1 1064 . 1 1 91 91 LEU C C 13 178.341 0.100 . 1 . . . . 91 Leu C . 17325 1 1065 . 1 1 91 91 LEU CA C 13 57.555 0.100 . 1 . . . . 91 Leu CA . 17325 1 1066 . 1 1 91 91 LEU CB C 13 42.466 0.100 . 1 . . . . 91 Leu CB . 17325 1 1067 . 1 1 91 91 LEU CG C 13 26.586 0.100 . 1 . . . . 91 Leu CG . 17325 1 1068 . 1 1 91 91 LEU CD1 C 13 24.060 0.100 . 2 . . . . 91 Leu CD1 . 17325 1 1069 . 1 1 91 91 LEU CD2 C 13 24.257 0.100 . 2 . . . . 91 Leu CD2 . 17325 1 1070 . 1 1 91 91 LEU N N 15 123.082 0.100 . 1 . . . . 91 Leu N . 17325 1 1071 . 1 1 92 92 ALA H H 1 8.052 0.02 . 1 . . . . 92 Ala H . 17325 1 1072 . 1 1 92 92 ALA HA H 1 3.735 0.02 . 1 . . . . 92 Ala HA . 17325 1 1073 . 1 1 92 92 ALA HB1 H 1 1.478 0.02 . 1 . . . . 92 Ala HB1 . 17325 1 1074 . 1 1 92 92 ALA HB2 H 1 1.478 0.02 . 1 . . . . 92 Ala HB2 . 17325 1 1075 . 1 1 92 92 ALA HB3 H 1 1.478 0.02 . 1 . . . . 92 Ala HB3 . 17325 1 1076 . 1 1 92 92 ALA C C 13 179.933 0.100 . 1 . . . . 92 Ala C . 17325 1 1077 . 1 1 92 92 ALA CA C 13 56.220 0.100 . 1 . . . . 92 Ala CA . 17325 1 1078 . 1 1 92 92 ALA CB C 13 17.830 0.100 . 1 . . . . 92 Ala CB . 17325 1 1079 . 1 1 92 92 ALA N N 15 121.298 0.100 . 1 . . . . 92 Ala N . 17325 1 1080 . 1 1 93 93 GLN H H 1 7.689 0.02 . 1 . . . . 93 Gln H . 17325 1 1081 . 1 1 93 93 GLN HA H 1 4.054 0.02 . 1 . . . . 93 Gln HA . 17325 1 1082 . 1 1 93 93 GLN HB2 H 1 2.188 0.02 . 2 . . . . 93 Gln HB2 . 17325 1 1083 . 1 1 93 93 GLN HB3 H 1 2.207 0.02 . 2 . . . . 93 Gln HB3 . 17325 1 1084 . 1 1 93 93 GLN HG2 H 1 2.432 0.02 . 2 . . . . 93 Gln HG2 . 17325 1 1085 . 1 1 93 93 GLN HG3 H 1 2.510 0.02 . 2 . . . . 93 Gln HG3 . 17325 1 1086 . 1 1 93 93 GLN HE21 H 1 6.805 0.02 . 1 . . . . 93 Gln HE21 . 17325 1 1087 . 1 1 93 93 GLN HE22 H 1 7.451 0.02 . 1 . . . . 93 Gln HE22 . 17325 1 1088 . 1 1 93 93 GLN C C 13 178.974 0.100 . 1 . . . . 93 Gln C . 17325 1 1089 . 1 1 93 93 GLN CA C 13 58.460 0.100 . 1 . . . . 93 Gln CA . 17325 1 1090 . 1 1 93 93 GLN CB C 13 28.307 0.100 . 1 . . . . 93 Gln CB . 17325 1 1091 . 1 1 93 93 GLN CG C 13 33.623 0.100 . 1 . . . . 93 Gln CG . 17325 1 1092 . 1 1 93 93 GLN CD C 13 180.538 0.100 . 1 . . . . 93 Gln CD . 17325 1 1093 . 1 1 93 93 GLN N N 15 116.126 0.100 . 1 . . . . 93 Gln N . 17325 1 1094 . 1 1 93 93 GLN NE2 N 15 111.594 0.100 . 1 . . . . 93 Gln NE2 . 17325 1 1095 . 1 1 94 94 GLU H H 1 8.317 0.02 . 1 . . . . 94 Glu H . 17325 1 1096 . 1 1 94 94 GLU HA H 1 3.972 0.02 . 1 . . . . 94 Glu HA . 17325 1 1097 . 1 1 94 94 GLU HB2 H 1 2.009 0.02 . 2 . . . . 94 Glu HB2 . 17325 1 1098 . 1 1 94 94 GLU HB3 H 1 2.130 0.02 . 2 . . . . 94 Glu HB3 . 17325 1 1099 . 1 1 94 94 GLU HG2 H 1 2.435 0.02 . 2 . . . . 94 Glu HG2 . 17325 1 1100 . 1 1 94 94 GLU HG3 H 1 2.444 0.02 . 2 . . . . 94 Glu HG3 . 17325 1 1101 . 1 1 94 94 GLU C C 13 178.706 0.100 . 1 . . . . 94 Glu C . 17325 1 1102 . 1 1 94 94 GLU CA C 13 59.100 0.100 . 1 . . . . 94 Glu CA . 17325 1 1103 . 1 1 94 94 GLU CB C 13 29.997 0.100 . 1 . . . . 94 Glu CB . 17325 1 1104 . 1 1 94 94 GLU CG C 13 35.687 0.100 . 1 . . . . 94 Glu CG . 17325 1 1105 . 1 1 94 94 GLU N N 15 119.586 0.100 . 1 . . . . 94 Glu N . 17325 1 1106 . 1 1 95 95 LEU H H 1 8.201 0.02 . 1 . . . . 95 Leu H . 17325 1 1107 . 1 1 95 95 LEU HA H 1 4.347 0.02 . 1 . . . . 95 Leu HA . 17325 1 1108 . 1 1 95 95 LEU HB2 H 1 1.662 0.02 . 2 . . . . 95 Leu HB2 . 17325 1 1109 . 1 1 95 95 LEU HB3 H 1 1.397 0.02 . 2 . . . . 95 Leu HB3 . 17325 1 1110 . 1 1 95 95 LEU HG H 1 1.825 0.02 . 1 . . . . 95 Leu HG . 17325 1 1111 . 1 1 95 95 LEU HD11 H 1 0.697 0.02 . 2 . . . . 95 Leu HD11 . 17325 1 1112 . 1 1 95 95 LEU HD12 H 1 0.697 0.02 . 2 . . . . 95 Leu HD12 . 17325 1 1113 . 1 1 95 95 LEU HD13 H 1 0.697 0.02 . 2 . . . . 95 Leu HD13 . 17325 1 1114 . 1 1 95 95 LEU HD21 H 1 0.675 0.02 . 2 . . . . 95 Leu HD21 . 17325 1 1115 . 1 1 95 95 LEU HD22 H 1 0.675 0.02 . 2 . . . . 95 Leu HD22 . 17325 1 1116 . 1 1 95 95 LEU HD23 H 1 0.675 0.02 . 2 . . . . 95 Leu HD23 . 17325 1 1117 . 1 1 95 95 LEU C C 13 177.477 0.100 . 1 . . . . 95 Leu C . 17325 1 1118 . 1 1 95 95 LEU CA C 13 54.786 0.100 . 1 . . . . 95 Leu CA . 17325 1 1119 . 1 1 95 95 LEU CB C 13 43.068 0.100 . 1 . . . . 95 Leu CB . 17325 1 1120 . 1 1 95 95 LEU CG C 13 26.967 0.100 . 1 . . . . 95 Leu CG . 17325 1 1121 . 1 1 95 95 LEU CD1 C 13 22.625 0.100 . 2 . . . . 95 Leu CD1 . 17325 1 1122 . 1 1 95 95 LEU CD2 C 13 25.392 0.100 . 2 . . . . 95 Leu CD2 . 17325 1 1123 . 1 1 95 95 LEU N N 15 113.871 0.100 . 1 . . . . 95 Leu N . 17325 1 1124 . 1 1 96 96 GLY H H 1 7.882 0.02 . 1 . . . . 96 Gly H . 17325 1 1125 . 1 1 96 96 GLY HA2 H 1 3.931 0.02 . 2 . . . . 96 Gly HA2 . 17325 1 1126 . 1 1 96 96 GLY HA3 H 1 3.952 0.02 . 2 . . . . 96 Gly HA3 . 17325 1 1127 . 1 1 96 96 GLY C C 13 174.660 0.100 . 1 . . . . 96 Gly C . 17325 1 1128 . 1 1 96 96 GLY CA C 13 46.676 0.100 . 1 . . . . 96 Gly CA . 17325 1 1129 . 1 1 96 96 GLY N N 15 109.847 0.100 . 1 . . . . 96 Gly N . 17325 1 1130 . 1 1 97 97 LEU H H 1 7.767 0.02 . 1 . . . . 97 Leu H . 17325 1 1131 . 1 1 97 97 LEU HA H 1 4.725 0.02 . 1 . . . . 97 Leu HA . 17325 1 1132 . 1 1 97 97 LEU HB2 H 1 1.469 0.02 . 2 . . . . 97 Leu HB2 . 17325 1 1133 . 1 1 97 97 LEU HB3 H 1 1.219 0.02 . 2 . . . . 97 Leu HB3 . 17325 1 1134 . 1 1 97 97 LEU HG H 1 1.404 0.02 . 1 . . . . 97 Leu HG . 17325 1 1135 . 1 1 97 97 LEU HD11 H 1 0.459 0.02 . 2 . . . . 97 Leu HD11 . 17325 1 1136 . 1 1 97 97 LEU HD12 H 1 0.459 0.02 . 2 . . . . 97 Leu HD12 . 17325 1 1137 . 1 1 97 97 LEU HD13 H 1 0.459 0.02 . 2 . . . . 97 Leu HD13 . 17325 1 1138 . 1 1 97 97 LEU HD21 H 1 0.821 0.02 . 2 . . . . 97 Leu HD21 . 17325 1 1139 . 1 1 97 97 LEU HD22 H 1 0.821 0.02 . 2 . . . . 97 Leu HD22 . 17325 1 1140 . 1 1 97 97 LEU HD23 H 1 0.821 0.02 . 2 . . . . 97 Leu HD23 . 17325 1 1141 . 1 1 97 97 LEU C C 13 175.405 0.100 . 1 . . . . 97 Leu C . 17325 1 1142 . 1 1 97 97 LEU CA C 13 52.311 0.100 . 1 . . . . 97 Leu CA . 17325 1 1143 . 1 1 97 97 LEU CB C 13 46.691 0.100 . 1 . . . . 97 Leu CB . 17325 1 1144 . 1 1 97 97 LEU CG C 13 26.057 0.100 . 1 . . . . 97 Leu CG . 17325 1 1145 . 1 1 97 97 LEU CD1 C 13 23.020 0.100 . 2 . . . . 97 Leu CD1 . 17325 1 1146 . 1 1 97 97 LEU CD2 C 13 25.873 0.100 . 2 . . . . 97 Leu CD2 . 17325 1 1147 . 1 1 97 97 LEU N N 15 119.135 0.100 . 1 . . . . 97 Leu N . 17325 1 1148 . 1 1 98 98 ASN H H 1 8.582 0.02 . 1 . . . . 98 Asn H . 17325 1 1149 . 1 1 98 98 ASN HA H 1 4.873 0.02 . 1 . . . . 98 Asn HA . 17325 1 1150 . 1 1 98 98 ASN HB2 H 1 2.937 0.02 . 2 . . . . 98 Asn HB2 . 17325 1 1151 . 1 1 98 98 ASN HB3 H 1 2.802 0.02 . 2 . . . . 98 Asn HB3 . 17325 1 1152 . 1 1 98 98 ASN HD21 H 1 7.100 0.02 . 1 . . . . 98 Asn HD21 . 17325 1 1153 . 1 1 98 98 ASN HD22 H 1 7.670 0.02 . 1 . . . . 98 Asn HD22 . 17325 1 1154 . 1 1 98 98 ASN C C 13 177.279 0.100 . 1 . . . . 98 Asn C . 17325 1 1155 . 1 1 98 98 ASN CA C 13 52.512 0.100 . 1 . . . . 98 Asn CA . 17325 1 1156 . 1 1 98 98 ASN CB C 13 39.812 0.100 . 1 . . . . 98 Asn CB . 17325 1 1157 . 1 1 98 98 ASN CG C 13 176.461 0.100 . 1 . . . . 98 Asn CG . 17325 1 1158 . 1 1 98 98 ASN N N 15 116.959 0.100 . 1 . . . . 98 Asn N . 17325 1 1159 . 1 1 98 98 ASN ND2 N 15 114.096 0.100 . 1 . . . . 98 Asn ND2 . 17325 1 1160 . 1 1 99 99 GLU H H 1 9.306 0.02 . 1 . . . . 99 Glu H . 17325 1 1161 . 1 1 99 99 GLU HA H 1 3.681 0.02 . 1 . . . . 99 Glu HA . 17325 1 1162 . 1 1 99 99 GLU HB2 H 1 2.013 0.02 . 2 . . . . 99 Glu HB2 . 17325 1 1163 . 1 1 99 99 GLU HB3 H 1 2.001 0.02 . 2 . . . . 99 Glu HB3 . 17325 1 1164 . 1 1 99 99 GLU HG2 H 1 2.169 0.02 . 2 . . . . 99 Glu HG2 . 17325 1 1165 . 1 1 99 99 GLU HG3 H 1 2.374 0.02 . 2 . . . . 99 Glu HG3 . 17325 1 1166 . 1 1 99 99 GLU C C 13 178.393 0.100 . 1 . . . . 99 Glu C . 17325 1 1167 . 1 1 99 99 GLU CA C 13 60.921 0.100 . 1 . . . . 99 Glu CA . 17325 1 1168 . 1 1 99 99 GLU CB C 13 29.685 0.100 . 1 . . . . 99 Glu CB . 17325 1 1169 . 1 1 99 99 GLU CG C 13 37.018 0.100 . 1 . . . . 99 Glu CG . 17325 1 1170 . 1 1 99 99 GLU N N 15 123.039 0.100 . 1 . . . . 99 Glu N . 17325 1 1171 . 1 1 100 100 SER H H 1 8.666 0.02 . 1 . . . . 100 Ser H . 17325 1 1172 . 1 1 100 100 SER HA H 1 4.173 0.02 . 1 . . . . 100 Ser HA . 17325 1 1173 . 1 1 100 100 SER HB2 H 1 4.018 0.02 . 2 . . . . 100 Ser HB2 . 17325 1 1174 . 1 1 100 100 SER HB3 H 1 4.035 0.02 . 2 . . . . 100 Ser HB3 . 17325 1 1175 . 1 1 100 100 SER C C 13 176.544 0.100 . 1 . . . . 100 Ser C . 17325 1 1176 . 1 1 100 100 SER CA C 13 62.203 0.100 . 1 . . . . 100 Ser CA . 17325 1 1177 . 1 1 100 100 SER CB C 13 61.931 0.100 . 1 . . . . 100 Ser CB . 17325 1 1178 . 1 1 100 100 SER N N 15 115.225 0.100 . 1 . . . . 100 Ser N . 17325 1 1179 . 1 1 101 101 GLN H H 1 7.780 0.02 . 1 . . . . 101 Gln H . 17325 1 1180 . 1 1 101 101 GLN HA H 1 4.174 0.02 . 1 . . . . 101 Gln HA . 17325 1 1181 . 1 1 101 101 GLN HB2 H 1 2.141 0.02 . 2 . . . . 101 Gln HB2 . 17325 1 1182 . 1 1 101 101 GLN HB3 H 1 2.478 0.02 . 2 . . . . 101 Gln HB3 . 17325 1 1183 . 1 1 101 101 GLN HG2 H 1 2.492 0.02 . 2 . . . . 101 Gln HG2 . 17325 1 1184 . 1 1 101 101 GLN HG3 H 1 2.511 0.02 . 2 . . . . 101 Gln HG3 . 17325 1 1185 . 1 1 101 101 GLN HE21 H 1 6.890 0.02 . 1 . . . . 101 Gln HE21 . 17325 1 1186 . 1 1 101 101 GLN HE22 H 1 7.386 0.02 . 1 . . . . 101 Gln HE22 . 17325 1 1187 . 1 1 101 101 GLN C C 13 179.380 0.100 . 1 . . . . 101 Gln C . 17325 1 1188 . 1 1 101 101 GLN CA C 13 58.698 0.100 . 1 . . . . 101 Gln CA . 17325 1 1189 . 1 1 101 101 GLN CB C 13 29.686 0.100 . 1 . . . . 101 Gln CB . 17325 1 1190 . 1 1 101 101 GLN CG C 13 35.126 0.100 . 1 . . . . 101 Gln CG . 17325 1 1191 . 1 1 101 101 GLN CD C 13 179.144 0.100 . 1 . . . . 101 Gln CD . 17325 1 1192 . 1 1 101 101 GLN N N 15 119.657 0.100 . 1 . . . . 101 Gln N . 17325 1 1193 . 1 1 101 101 GLN NE2 N 15 112.380 0.100 . 1 . . . . 101 Gln NE2 . 17325 1 1194 . 1 1 102 102 ILE H H 1 7.375 0.02 . 1 . . . . 102 Ile H . 17325 1 1195 . 1 1 102 102 ILE HA H 1 3.804 0.02 . 1 . . . . 102 Ile HA . 17325 1 1196 . 1 1 102 102 ILE HB H 1 2.001 0.02 . 1 . . . . 102 Ile HB . 17325 1 1197 . 1 1 102 102 ILE HG12 H 1 1.674 0.02 . 2 . . . . 102 Ile HG12 . 17325 1 1198 . 1 1 102 102 ILE HG13 H 1 1.933 0.02 . 2 . . . . 102 Ile HG13 . 17325 1 1199 . 1 1 102 102 ILE HG21 H 1 0.928 0.02 . 1 . . . . 102 Ile HG21 . 17325 1 1200 . 1 1 102 102 ILE HG22 H 1 0.928 0.02 . 1 . . . . 102 Ile HG22 . 17325 1 1201 . 1 1 102 102 ILE HG23 H 1 0.928 0.02 . 1 . . . . 102 Ile HG23 . 17325 1 1202 . 1 1 102 102 ILE HD11 H 1 0.718 0.02 . 1 . . . . 102 Ile HD11 . 17325 1 1203 . 1 1 102 102 ILE HD12 H 1 0.718 0.02 . 1 . . . . 102 Ile HD12 . 17325 1 1204 . 1 1 102 102 ILE HD13 H 1 0.718 0.02 . 1 . . . . 102 Ile HD13 . 17325 1 1205 . 1 1 102 102 ILE C C 13 177.152 0.100 . 1 . . . . 102 Ile C . 17325 1 1206 . 1 1 102 102 ILE CA C 13 64.814 0.100 . 1 . . . . 102 Ile CA . 17325 1 1207 . 1 1 102 102 ILE CB C 13 37.493 0.100 . 1 . . . . 102 Ile CB . 17325 1 1208 . 1 1 102 102 ILE CG1 C 13 28.404 0.100 . 1 . . . . 102 Ile CG1 . 17325 1 1209 . 1 1 102 102 ILE CG2 C 13 18.346 0.100 . 1 . . . . 102 Ile CG2 . 17325 1 1210 . 1 1 102 102 ILE CD1 C 13 12.442 0.100 . 1 . . . . 102 Ile CD1 . 17325 1 1211 . 1 1 102 102 ILE N N 15 118.458 0.100 . 1 . . . . 102 Ile N . 17325 1 1212 . 1 1 103 103 LYS H H 1 8.263 0.02 . 1 . . . . 103 Lys H . 17325 1 1213 . 1 1 103 103 LYS HA H 1 4.129 0.02 . 1 . . . . 103 Lys HA . 17325 1 1214 . 1 1 103 103 LYS HB2 H 1 2.038 0.02 . 2 . . . . 103 Lys HB2 . 17325 1 1215 . 1 1 103 103 LYS HB3 H 1 1.876 0.02 . 2 . . . . 103 Lys HB3 . 17325 1 1216 . 1 1 103 103 LYS HG2 H 1 1.381 0.02 . 2 . . . . 103 Lys HG2 . 17325 1 1217 . 1 1 103 103 LYS HG3 H 1 1.399 0.02 . 2 . . . . 103 Lys HG3 . 17325 1 1218 . 1 1 103 103 LYS HD2 H 1 1.661 0.02 . 2 . . . . 103 Lys HD2 . 17325 1 1219 . 1 1 103 103 LYS HD3 H 1 1.640 0.02 . 2 . . . . 103 Lys HD3 . 17325 1 1220 . 1 1 103 103 LYS HE2 H 1 2.934 0.02 . 2 . . . . 103 Lys HE2 . 17325 1 1221 . 1 1 103 103 LYS HE3 H 1 2.922 0.02 . 2 . . . . 103 Lys HE3 . 17325 1 1222 . 1 1 103 103 LYS C C 13 179.516 0.100 . 1 . . . . 103 Lys C . 17325 1 1223 . 1 1 103 103 LYS CA C 13 60.126 0.100 . 1 . . . . 103 Lys CA . 17325 1 1224 . 1 1 103 103 LYS CB C 13 32.941 0.100 . 1 . . . . 103 Lys CB . 17325 1 1225 . 1 1 103 103 LYS CG C 13 24.681 0.100 . 1 . . . . 103 Lys CG . 17325 1 1226 . 1 1 103 103 LYS CD C 13 29.493 0.100 . 1 . . . . 103 Lys CD . 17325 1 1227 . 1 1 103 103 LYS CE C 13 41.756 0.100 . 1 . . . . 103 Lys CE . 17325 1 1228 . 1 1 103 103 LYS N N 15 120.143 0.100 . 1 . . . . 103 Lys N . 17325 1 1229 . 1 1 104 104 ILE H H 1 8.251 0.02 . 1 . . . . 104 Ile H . 17325 1 1230 . 1 1 104 104 ILE HA H 1 3.828 0.02 . 1 . . . . 104 Ile HA . 17325 1 1231 . 1 1 104 104 ILE HB H 1 1.964 0.02 . 1 . . . . 104 Ile HB . 17325 1 1232 . 1 1 104 104 ILE HG12 H 1 1.264 0.02 . 2 . . . . 104 Ile HG12 . 17325 1 1233 . 1 1 104 104 ILE HG13 H 1 1.737 0.02 . 2 . . . . 104 Ile HG13 . 17325 1 1234 . 1 1 104 104 ILE HG21 H 1 0.984 0.02 . 1 . . . . 104 Ile HG21 . 17325 1 1235 . 1 1 104 104 ILE HG22 H 1 0.984 0.02 . 1 . . . . 104 Ile HG22 . 17325 1 1236 . 1 1 104 104 ILE HG23 H 1 0.984 0.02 . 1 . . . . 104 Ile HG23 . 17325 1 1237 . 1 1 104 104 ILE HD11 H 1 0.960 0.02 . 1 . . . . 104 Ile HD11 . 17325 1 1238 . 1 1 104 104 ILE HD12 H 1 0.960 0.02 . 1 . . . . 104 Ile HD12 . 17325 1 1239 . 1 1 104 104 ILE HD13 H 1 0.960 0.02 . 1 . . . . 104 Ile HD13 . 17325 1 1240 . 1 1 104 104 ILE C C 13 177.395 0.100 . 1 . . . . 104 Ile C . 17325 1 1241 . 1 1 104 104 ILE CA C 13 64.327 0.100 . 1 . . . . 104 Ile CA . 17325 1 1242 . 1 1 104 104 ILE CB C 13 37.995 0.100 . 1 . . . . 104 Ile CB . 17325 1 1243 . 1 1 104 104 ILE CG1 C 13 29.359 0.100 . 1 . . . . 104 Ile CG1 . 17325 1 1244 . 1 1 104 104 ILE CG2 C 13 17.313 0.100 . 1 . . . . 104 Ile CG2 . 17325 1 1245 . 1 1 104 104 ILE CD1 C 13 12.455 0.100 . 1 . . . . 104 Ile CD1 . 17325 1 1246 . 1 1 104 104 ILE N N 15 119.084 0.100 . 1 . . . . 104 Ile N . 17325 1 1247 . 1 1 105 105 TRP H H 1 8.072 0.02 . 1 . . . . 105 Trp H . 17325 1 1248 . 1 1 105 105 TRP HA H 1 4.084 0.02 . 1 . . . . 105 Trp HA . 17325 1 1249 . 1 1 105 105 TRP HB2 H 1 3.431 0.02 . 2 . . . . 105 Trp HB2 . 17325 1 1250 . 1 1 105 105 TRP HB3 H 1 3.532 0.02 . 2 . . . . 105 Trp HB3 . 17325 1 1251 . 1 1 105 105 TRP HD1 H 1 7.061 0.02 . 1 . . . . 105 Trp HD1 . 17325 1 1252 . 1 1 105 105 TRP HE1 H 1 9.571 0.02 . 1 . . . . 105 Trp HE1 . 17325 1 1253 . 1 1 105 105 TRP HE3 H 1 7.082 0.02 . 1 . . . . 105 Trp HE3 . 17325 1 1254 . 1 1 105 105 TRP HZ2 H 1 7.055 0.02 . 1 . . . . 105 Trp HZ2 . 17325 1 1255 . 1 1 105 105 TRP HZ3 H 1 5.982 0.02 . 1 . . . . 105 Trp HZ3 . 17325 1 1256 . 1 1 105 105 TRP HH2 H 1 6.379 0.02 . 1 . . . . 105 Trp HH2 . 17325 1 1257 . 1 1 105 105 TRP C C 13 179.486 0.100 . 1 . . . . 105 Trp C . 17325 1 1258 . 1 1 105 105 TRP CA C 13 63.141 0.100 . 1 . . . . 105 Trp CA . 17325 1 1259 . 1 1 105 105 TRP CB C 13 29.070 0.100 . 1 . . . . 105 Trp CB . 17325 1 1260 . 1 1 105 105 TRP CD1 C 13 127.1 0.100 . 1 . . . . 105 Trp CD1 . 17325 1 1261 . 1 1 105 105 TRP CE3 C 13 120.8 0.100 . 1 . . . . 105 Trp CE3 . 17325 1 1262 . 1 1 105 105 TRP CZ2 C 13 113.7 0.100 . 1 . . . . 105 Trp CZ2 . 17325 1 1263 . 1 1 105 105 TRP CZ3 C 13 120.7 0.100 . 1 . . . . 105 Trp CZ3 . 17325 1 1264 . 1 1 105 105 TRP CH2 C 13 122.8 0.100 . 1 . . . . 105 Trp CH2 . 17325 1 1265 . 1 1 105 105 TRP N N 15 122.059 0.100 . 1 . . . . 105 Trp N . 17325 1 1266 . 1 1 105 105 TRP NE1 N 15 128.47 0.100 . 1 . . . . 105 Trp NE1 . 17325 1 1267 . 1 1 106 106 PHE H H 1 8.762 0.02 . 1 . . . . 106 Phe H . 17325 1 1268 . 1 1 106 106 PHE HA H 1 3.769 0.02 . 1 . . . . 106 Phe HA . 17325 1 1269 . 1 1 106 106 PHE HB2 H 1 3.197 0.02 . 2 . . . . 106 Phe HB2 . 17325 1 1270 . 1 1 106 106 PHE HB3 H 1 3.544 0.02 . 2 . . . . 106 Phe HB3 . 17325 1 1271 . 1 1 106 106 PHE HD1 H 1 7.850 0.02 . 3 . . . . 106 Phe HD1 . 17325 1 1272 . 1 1 106 106 PHE HD2 H 1 7.850 0.02 . 3 . . . . 106 Phe HD2 . 17325 1 1273 . 1 1 106 106 PHE HE1 H 1 7.503 0.02 . 3 . . . . 106 Phe HE1 . 17325 1 1274 . 1 1 106 106 PHE HE2 H 1 7.503 0.02 . 3 . . . . 106 Phe HE2 . 17325 1 1275 . 1 1 106 106 PHE HZ H 1 7.231 0.02 . 1 . . . . 106 Phe HZ . 17325 1 1276 . 1 1 106 106 PHE C C 13 178.101 0.100 . 1 . . . . 106 Phe C . 17325 1 1277 . 1 1 106 106 PHE CA C 13 62.882 0.100 . 1 . . . . 106 Phe CA . 17325 1 1278 . 1 1 106 106 PHE CB C 13 39.643 0.100 . 1 . . . . 106 Phe CB . 17325 1 1279 . 1 1 106 106 PHE CG C 13 142.66 0.100 . 1 . . . . 106 Phe CG . 17325 1 1280 . 1 1 106 106 PHE CD1 C 13 132.31 0.100 . 1 . . . . 106 Phe CD . 17325 1 1281 . 1 1 106 106 PHE CD2 C 13 132.31 0.100 . 1 . . . . 106 Phe CD . 17325 1 1282 . 1 1 106 106 PHE CE1 C 13 132.31 0.100 . 1 . . . . 106 Phe CE . 17325 1 1283 . 1 1 106 106 PHE CE2 C 13 132.31 0.100 . 1 . . . . 106 Phe CE . 17325 1 1284 . 1 1 106 106 PHE CZ C 13 129.17 0.100 . 1 . . . . 106 Phe CZ . 17325 1 1285 . 1 1 106 106 PHE N N 15 118.077 0.100 . 1 . . . . 106 Phe N . 17325 1 1286 . 1 1 107 107 GLN H H 1 8.266 0.02 . 1 . . . . 107 Gln H . 17325 1 1287 . 1 1 107 107 GLN HA H 1 3.934 0.02 . 1 . . . . 107 Gln HA . 17325 1 1288 . 1 1 107 107 GLN HB2 H 1 2.145 0.02 . 2 . . . . 107 Gln HB2 . 17325 1 1289 . 1 1 107 107 GLN HB3 H 1 2.252 0.02 . 2 . . . . 107 Gln HB3 . 17325 1 1290 . 1 1 107 107 GLN HG2 H 1 2.502 0.02 . 2 . . . . 107 Gln HG2 . 17325 1 1291 . 1 1 107 107 GLN HG3 H 1 2.458 0.02 . 2 . . . . 107 Gln HG3 . 17325 1 1292 . 1 1 107 107 GLN HE21 H 1 7.539 0.02 . 1 . . . . 107 Gln HE21 . 17325 1 1293 . 1 1 107 107 GLN HE22 H 1 6.880 0.02 . 1 . . . . 107 Gln HE22 . 17325 1 1294 . 1 1 107 107 GLN C C 13 179.007 0.100 . 1 . . . . 107 Gln C . 17325 1 1295 . 1 1 107 107 GLN CA C 13 59.327 0.100 . 1 . . . . 107 Gln CA . 17325 1 1296 . 1 1 107 107 GLN CB C 13 28.590 0.100 . 1 . . . . 107 Gln CB . 17325 1 1297 . 1 1 107 107 GLN CG C 13 33.807 0.100 . 1 . . . . 107 Gln CG . 17325 1 1298 . 1 1 107 107 GLN CD C 13 180.097 0.100 . 1 . . . . 107 Gln CD . 17325 1 1299 . 1 1 107 107 GLN N N 15 118.216 0.100 . 1 . . . . 107 Gln N . 17325 1 1300 . 1 1 107 107 GLN NE2 N 15 111.176 0.100 . 1 . . . . 107 Gln NE2 . 17325 1 1301 . 1 1 108 108 ASN H H 1 8.497 0.02 . 1 . . . . 108 Asn H . 17325 1 1302 . 1 1 108 108 ASN HA H 1 4.325 0.02 . 1 . . . . 108 Asn HA . 17325 1 1303 . 1 1 108 108 ASN HB2 H 1 2.705 0.02 . 2 . . . . 108 Asn HB2 . 17325 1 1304 . 1 1 108 108 ASN HB3 H 1 2.534 0.02 . 2 . . . . 108 Asn HB3 . 17325 1 1305 . 1 1 108 108 ASN HD21 H 1 7.484 0.02 . 1 . . . . 108 Asn HD21 . 17325 1 1306 . 1 1 108 108 ASN HD22 H 1 6.830 0.02 . 1 . . . . 108 Asn HD22 . 17325 1 1307 . 1 1 108 108 ASN C C 13 177.491 0.100 . 1 . . . . 108 Asn C . 17325 1 1308 . 1 1 108 108 ASN CA C 13 55.248 0.100 . 1 . . . . 108 Asn CA . 17325 1 1309 . 1 1 108 108 ASN CB C 13 37.720 0.100 . 1 . . . . 108 Asn CB . 17325 1 1310 . 1 1 108 108 ASN CG C 13 175.981 0.100 . 1 . . . . 108 Asn CG . 17325 1 1311 . 1 1 108 108 ASN N N 15 118.615 0.100 . 1 . . . . 108 Asn N . 17325 1 1312 . 1 1 108 108 ASN ND2 N 15 112.037 0.100 . 1 . . . . 108 Asn ND2 . 17325 1 1313 . 1 1 109 109 LYS H H 1 7.664 0.02 . 1 . . . . 109 Lys H . 17325 1 1314 . 1 1 109 109 LYS HA H 1 3.487 0.02 . 1 . . . . 109 Lys HA . 17325 1 1315 . 1 1 109 109 LYS HB2 H 1 0.559 0.02 . 2 . . . . 109 Lys HB2 . 17325 1 1316 . 1 1 109 109 LYS HB3 H 1 0.373 0.02 . 2 . . . . 109 Lys HB3 . 17325 1 1317 . 1 1 109 109 LYS HG2 H 1 -0.438 0.02 . 2 . . . . 109 Lys HG2 . 17325 1 1318 . 1 1 109 109 LYS HG3 H 1 -0.407 0.02 . 2 . . . . 109 Lys HG3 . 17325 1 1319 . 1 1 109 109 LYS HD2 H 1 -0.310 0.02 . 2 . . . . 109 Lys HD2 . 17325 1 1320 . 1 1 109 109 LYS HD3 H 1 -0.283 0.02 . 2 . . . . 109 Lys HD3 . 17325 1 1321 . 1 1 109 109 LYS HE2 H 1 2.141 0.02 . 2 . . . . 109 Lys HE2 . 17325 1 1322 . 1 1 109 109 LYS HE3 H 1 2.129 0.02 . 2 . . . . 109 Lys HE3 . 17325 1 1323 . 1 1 109 109 LYS C C 13 179.029 0.100 . 1 . . . . 109 Lys C . 17325 1 1324 . 1 1 109 109 LYS CA C 13 57.091 0.100 . 1 . . . . 109 Lys CA . 17325 1 1325 . 1 1 109 109 LYS CB C 13 30.671 0.100 . 1 . . . . 109 Lys CB . 17325 1 1326 . 1 1 109 109 LYS CG C 13 22.017 0.100 . 1 . . . . 109 Lys CG . 17325 1 1327 . 1 1 109 109 LYS CD C 13 26.992 0.100 . 1 . . . . 109 Lys CD . 17325 1 1328 . 1 1 109 109 LYS CE C 13 41.496 0.100 . 1 . . . . 109 Lys CE . 17325 1 1329 . 1 1 109 109 LYS N N 15 121.118 0.100 . 1 . . . . 109 Lys N . 17325 1 1330 . 1 1 110 110 ARG H H 1 7.962 0.02 . 1 . . . . 110 Arg H . 17325 1 1331 . 1 1 110 110 ARG HA H 1 4.069 0.02 . 1 . . . . 110 Arg HA . 17325 1 1332 . 1 1 110 110 ARG HB2 H 1 2.026 0.02 . 2 . . . . 110 Arg HB2 . 17325 1 1333 . 1 1 110 110 ARG HB3 H 1 1.842 0.02 . 2 . . . . 110 Arg HB3 . 17325 1 1334 . 1 1 110 110 ARG HG2 H 1 1.448 0.02 . 2 . . . . 110 Arg HG2 . 17325 1 1335 . 1 1 110 110 ARG HG3 H 1 1.419 0.02 . 2 . . . . 110 Arg HG3 . 17325 1 1336 . 1 1 110 110 ARG HD2 H 1 2.832 0.02 . 2 . . . . 110 Arg HD2 . 17325 1 1337 . 1 1 110 110 ARG HD3 H 1 2.945 0.02 . 2 . . . . 110 Arg HD3 . 17325 1 1338 . 1 1 110 110 ARG C C 13 177.970 0.100 . 1 . . . . 110 Arg C . 17325 1 1339 . 1 1 110 110 ARG CA C 13 59.481 0.100 . 1 . . . . 110 Arg CA . 17325 1 1340 . 1 1 110 110 ARG CB C 13 31.149 0.100 . 1 . . . . 110 Arg CB . 17325 1 1341 . 1 1 110 110 ARG CG C 13 29.402 0.100 . 1 . . . . 110 Arg CG . 17325 1 1342 . 1 1 110 110 ARG CD C 13 43.334 0.100 . 1 . . . . 110 Arg CD . 17325 1 1343 . 1 1 110 110 ARG N N 15 117.576 0.100 . 1 . . . . 110 Arg N . 17325 1 1344 . 1 1 111 111 ALA H H 1 7.555 0.02 . 1 . . . . 111 Ala H . 17325 1 1345 . 1 1 111 111 ALA HA H 1 4.167 0.02 . 1 . . . . 111 Ala HA . 17325 1 1346 . 1 1 111 111 ALA HB1 H 1 1.441 0.02 . 1 . . . . 111 Ala HB1 . 17325 1 1347 . 1 1 111 111 ALA HB2 H 1 1.441 0.02 . 1 . . . . 111 Ala HB2 . 17325 1 1348 . 1 1 111 111 ALA HB3 H 1 1.441 0.02 . 1 . . . . 111 Ala HB3 . 17325 1 1349 . 1 1 111 111 ALA C C 13 178.481 0.100 . 1 . . . . 111 Ala C . 17325 1 1350 . 1 1 111 111 ALA CA C 13 53.608 0.100 . 1 . . . . 111 Ala CA . 17325 1 1351 . 1 1 111 111 ALA CB C 13 18.592 0.100 . 1 . . . . 111 Ala CB . 17325 1 1352 . 1 1 111 111 ALA N N 15 120.374 0.100 . 1 . . . . 111 Ala N . 17325 1 1353 . 1 1 112 112 LYS H H 1 7.535 0.02 . 1 . . . . 112 Lys H . 17325 1 1354 . 1 1 112 112 LYS HA H 1 4.161 0.02 . 1 . . . . 112 Lys HA . 17325 1 1355 . 1 1 112 112 LYS HB2 H 1 1.776 0.02 . 2 . . . . 112 Lys HB2 . 17325 1 1356 . 1 1 112 112 LYS HB3 H 1 1.744 0.02 . 2 . . . . 112 Lys HB3 . 17325 1 1357 . 1 1 112 112 LYS HG2 H 1 1.392 0.02 . 2 . . . . 112 Lys HG2 . 17325 1 1358 . 1 1 112 112 LYS HG3 H 1 1.402 0.02 . 2 . . . . 112 Lys HG3 . 17325 1 1359 . 1 1 112 112 LYS HD2 H 1 1.547 0.02 . 2 . . . . 112 Lys HD2 . 17325 1 1360 . 1 1 112 112 LYS HD3 H 1 1.568 0.02 . 2 . . . . 112 Lys HD3 . 17325 1 1361 . 1 1 112 112 LYS HE2 H 1 2.880 0.02 . 2 . . . . 112 Lys HE2 . 17325 1 1362 . 1 1 112 112 LYS HE3 H 1 2.868 0.02 . 2 . . . . 112 Lys HE3 . 17325 1 1363 . 1 1 112 112 LYS C C 13 177.145 0.100 . 1 . . . . 112 Lys C . 17325 1 1364 . 1 1 112 112 LYS CA C 13 56.582 0.100 . 1 . . . . 112 Lys CA . 17325 1 1365 . 1 1 112 112 LYS CB C 13 32.552 0.100 . 1 . . . . 112 Lys CB . 17325 1 1366 . 1 1 112 112 LYS CG C 13 24.469 0.100 . 1 . . . . 112 Lys CG . 17325 1 1367 . 1 1 112 112 LYS CD C 13 28.741 0.100 . 1 . . . . 112 Lys CD . 17325 1 1368 . 1 1 112 112 LYS CE C 13 41.966 0.100 . 1 . . . . 112 Lys CE . 17325 1 1369 . 1 1 112 112 LYS N N 15 117.594 0.100 . 1 . . . . 112 Lys N . 17325 1 1370 . 1 1 113 113 ILE H H 1 7.655 0.02 . 1 . . . . 113 Ile H . 17325 1 1371 . 1 1 113 113 ILE HA H 1 4.060 0.02 . 1 . . . . 113 Ile HA . 17325 1 1372 . 1 1 113 113 ILE HB H 1 1.896 0.02 . 1 . . . . 113 Ile HB . 17325 1 1373 . 1 1 113 113 ILE HG12 H 1 1.518 0.02 . 2 . . . . 113 Ile HG12 . 17325 1 1374 . 1 1 113 113 ILE HG13 H 1 1.255 0.02 . 2 . . . . 113 Ile HG13 . 17325 1 1375 . 1 1 113 113 ILE HG21 H 1 0.913 0.02 . 1 . . . . 113 Ile HG21 . 17325 1 1376 . 1 1 113 113 ILE HG22 H 1 0.913 0.02 . 1 . . . . 113 Ile HG22 . 17325 1 1377 . 1 1 113 113 ILE HG23 H 1 0.913 0.02 . 1 . . . . 113 Ile HG23 . 17325 1 1378 . 1 1 113 113 ILE HD11 H 1 0.877 0.02 . 1 . . . . 113 Ile HD11 . 17325 1 1379 . 1 1 113 113 ILE HD12 H 1 0.877 0.02 . 1 . . . . 113 Ile HD12 . 17325 1 1380 . 1 1 113 113 ILE HD13 H 1 0.877 0.02 . 1 . . . . 113 Ile HD13 . 17325 1 1381 . 1 1 113 113 ILE C C 13 176.263 0.100 . 1 . . . . 113 Ile C . 17325 1 1382 . 1 1 113 113 ILE CA C 13 61.387 0.100 . 1 . . . . 113 Ile CA . 17325 1 1383 . 1 1 113 113 ILE CB C 13 38.259 0.100 . 1 . . . . 113 Ile CB . 17325 1 1384 . 1 1 113 113 ILE CG1 C 13 27.292 0.100 . 1 . . . . 113 Ile CG1 . 17325 1 1385 . 1 1 113 113 ILE CG2 C 13 17.159 0.100 . 1 . . . . 113 Ile CG2 . 17325 1 1386 . 1 1 113 113 ILE CD1 C 13 12.741 0.100 . 1 . . . . 113 Ile CD1 . 17325 1 1387 . 1 1 113 113 ILE N N 15 120.039 0.100 . 1 . . . . 113 Ile N . 17325 1 1388 . 1 1 114 114 LYS H H 1 8.118 0.02 . 1 . . . . 114 Lys H . 17325 1 1389 . 1 1 114 114 LYS HA H 1 4.275 0.02 . 1 . . . . 114 Lys HA . 17325 1 1390 . 1 1 114 114 LYS HB2 H 1 1.795 0.02 . 2 . . . . 114 Lys HB2 . 17325 1 1391 . 1 1 114 114 LYS HB3 H 1 1.710 0.02 . 2 . . . . 114 Lys HB3 . 17325 1 1392 . 1 1 114 114 LYS HG2 H 1 1.414 0.02 . 2 . . . . 114 Lys HG2 . 17325 1 1393 . 1 1 114 114 LYS HG3 H 1 1.402 0.02 . 2 . . . . 114 Lys HG3 . 17325 1 1394 . 1 1 114 114 LYS HD2 H 1 1.649 0.02 . 2 . . . . 114 Lys HD2 . 17325 1 1395 . 1 1 114 114 LYS HD3 H 1 1.665 0.02 . 2 . . . . 114 Lys HD3 . 17325 1 1396 . 1 1 114 114 LYS HE2 H 1 2.978 0.02 . 2 . . . . 114 Lys HE2 . 17325 1 1397 . 1 1 114 114 LYS HE3 H 1 2.957 0.02 . 2 . . . . 114 Lys HE3 . 17325 1 1398 . 1 1 114 114 LYS C C 13 176.412 0.100 . 1 . . . . 114 Lys C . 17325 1 1399 . 1 1 114 114 LYS CA C 13 56.392 0.100 . 1 . . . . 114 Lys CA . 17325 1 1400 . 1 1 114 114 LYS CB C 13 32.903 0.100 . 1 . . . . 114 Lys CB . 17325 1 1401 . 1 1 114 114 LYS CG C 13 24.397 0.100 . 1 . . . . 114 Lys CG . 17325 1 1402 . 1 1 114 114 LYS CD C 13 28.814 0.100 . 1 . . . . 114 Lys CD . 17325 1 1403 . 1 1 114 114 LYS CE C 13 41.996 0.100 . 1 . . . . 114 Lys CE . 17325 1 1404 . 1 1 114 114 LYS N N 15 125.167 0.100 . 1 . . . . 114 Lys N . 17325 1 1405 . 1 1 115 115 LYS H H 1 8.208 0.02 . 1 . . . . 115 Lys H . 17325 1 1406 . 1 1 115 115 LYS HA H 1 4.270 0.02 . 1 . . . . 115 Lys HA . 17325 1 1407 . 1 1 115 115 LYS HB2 H 1 1.780 0.02 . 2 . . . . 115 Lys HB2 . 17325 1 1408 . 1 1 115 115 LYS HB3 H 1 1.803 0.02 . 2 . . . . 115 Lys HB3 . 17325 1 1409 . 1 1 115 115 LYS HG2 H 1 1.436 0.02 . 2 . . . . 115 Lys HG2 . 17325 1 1410 . 1 1 115 115 LYS HG3 H 1 1.448 0.02 . 2 . . . . 115 Lys HG3 . 17325 1 1411 . 1 1 115 115 LYS HD2 H 1 1.634 0.02 . 2 . . . . 115 Lys HD2 . 17325 1 1412 . 1 1 115 115 LYS HD3 H 1 1.650 0.02 . 2 . . . . 115 Lys HD3 . 17325 1 1413 . 1 1 115 115 LYS HE2 H 1 2.972 0.02 . 2 . . . . 115 Lys HE2 . 17325 1 1414 . 1 1 115 115 LYS HE3 H 1 2.958 0.02 . 2 . . . . 115 Lys HE3 . 17325 1 1415 . 1 1 115 115 LYS C C 13 176.033 0.100 . 1 . . . . 115 Lys C . 17325 1 1416 . 1 1 115 115 LYS CA C 13 56.234 0.100 . 1 . . . . 115 Lys CA . 17325 1 1417 . 1 1 115 115 LYS CB C 13 33.080 0.100 . 1 . . . . 115 Lys CB . 17325 1 1418 . 1 1 115 115 LYS CG C 13 24.447 0.100 . 1 . . . . 115 Lys CG . 17325 1 1419 . 1 1 115 115 LYS CD C 13 28.958 0.100 . 1 . . . . 115 Lys CD . 17325 1 1420 . 1 1 115 115 LYS CE C 13 41.946 0.100 . 1 . . . . 115 Lys CE . 17325 1 1421 . 1 1 115 115 LYS N N 15 122.970 0.100 . 1 . . . . 115 Lys N . 17325 1 1422 . 1 1 116 116 ALA H H 1 8.320 0.02 . 1 . . . . 116 Ala H . 17325 1 1423 . 1 1 116 116 ALA HA H 1 4.366 0.02 . 1 . . . . 116 Ala HA . 17325 1 1424 . 1 1 116 116 ALA HB1 H 1 1.397 0.02 . 1 . . . . 116 Ala HB1 . 17325 1 1425 . 1 1 116 116 ALA HB2 H 1 1.397 0.02 . 1 . . . . 116 Ala HB2 . 17325 1 1426 . 1 1 116 116 ALA HB3 H 1 1.397 0.02 . 1 . . . . 116 Ala HB3 . 17325 1 1427 . 1 1 116 116 ALA C C 13 177.042 0.100 . 1 . . . . 116 Ala C . 17325 1 1428 . 1 1 116 116 ALA CA C 13 52.533 0.100 . 1 . . . . 116 Ala CA . 17325 1 1429 . 1 1 116 116 ALA CB C 13 19.276 0.100 . 1 . . . . 116 Ala CB . 17325 1 1430 . 1 1 116 116 ALA N N 15 126.273 0.100 . 1 . . . . 116 Ala N . 17325 1 1431 . 1 1 117 117 THR H H 1 7.679 0.02 . 1 . . . . 117 Thr H . 17325 1 1432 . 1 1 117 117 THR HA H 1 4.165 0.02 . 1 . . . . 117 Thr HA . 17325 1 1433 . 1 1 117 117 THR HG21 H 1 1.248 0.02 . 1 . . . . 117 Thr HG21 . 17325 1 1434 . 1 1 117 117 THR HG22 H 1 1.248 0.02 . 1 . . . . 117 Thr HG22 . 17325 1 1435 . 1 1 117 117 THR HG23 H 1 1.248 0.02 . 1 . . . . 117 Thr HG23 . 17325 1 1436 . 1 1 117 117 THR C C 13 179.278 0.100 . 1 . . . . 117 Thr C . 17325 1 1437 . 1 1 117 117 THR CA C 13 62.968 0.100 . 1 . . . . 117 Thr CA . 17325 1 1438 . 1 1 117 117 THR CB C 13 70.709 0.100 . 1 . . . . 117 Thr CB . 17325 1 1439 . 1 1 117 117 THR N N 15 118.410 0.100 . 1 . . . . 117 Thr N . 17325 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 261 17325 1 1 293 17325 1 stop_ save_