data_6635 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6635 _Entry.Title ; Backbone 1H, 13C, and 15N Resonance Assignments for the 13kD Ras Association Domain 2 (RA2) from Phospholipase C (epsilon) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-05-16 _Entry.Accession_date 2005-05-16 _Entry.Last_release_date 2005-11-07 _Entry.Original_release_date 2005-11-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Richard Harris . . . 6635 2 Tom Bunney . D. . 6635 3 Matilda Katan . . . 6635 4 Paul Driscoll . C. . 6635 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6635 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 433 6635 '15N chemical shifts' 96 6635 '1H chemical shifts' 750 6635 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-11-07 2005-05-16 original author . 6635 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6635 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16258837 _Citation.Full_citation . _Citation.Title ; Backbone 1H, 13C, and 15N Resonance Assignments for the two 13 kD Ras Associating Domains (RA1 and RA2) from Phospholipase C(epsilon) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 33 _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 138 _Citation.Page_last 138 _Citation.Year 2005 _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 Richard Harris . . . 6635 1 2 Tom Bunney . D. . 6635 1 3 Matilda Katan . . . 6635 1 4 Paul Driscoll . C. . 6635 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6635 _Assembly.ID 1 _Assembly.Name RA2 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6635 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 RA2 1 $RA2 . . yes native no no . . . 6635 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RA2 _Entity.Sf_category entity _Entity.Sf_framecode RA2 _Entity.Entry_ID 6635 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ra2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details ; RA2 sequence corresponds to residues 2131-2246 in PLCepsilon with single point mutation of arginine-2150 to leucine ; _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSEEESFFVQVHDVSPEQP LTVIKAPRVSTAQDVIQQTL CKAKYSYSILSNPNPSDYVL LEEVVKDTTNKKTTTPKSSQ RVLLDQECVFQAQSKWKGAG KFILKLKEQVQASREDK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'numbering from 1 to 116 not including the n-terminal glycine' _Entity.Polymer_author_seq_details 'additional Glycine at N-terminus' _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 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13146 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2BYF . "Nmr Solution Structure Of Phospholipase C Epsilon Ra 2 Domain" . . . . . 99.15 116 100.00 100.00 6.35e-77 . . . . 6635 1 2 no PDB 2C5L . "Structure Of Plc Epsilon Ras Association Domain With Hras" . . . . . 100.00 117 98.29 98.29 7.89e-76 . . . . 6635 1 3 no DBJ BAA96040 . "KIAA1516 protein [Homo sapiens]" . . . . . 99.15 2304 99.14 99.14 2.02e-67 . . . . 6635 1 4 no DBJ BAB14090 . "unnamed protein product [Homo sapiens]" . . . . . 99.15 806 99.14 99.14 5.72e-69 . . . . 6635 1 5 no DBJ BAG10469 . "phospholipase C, epsilon 1 [synthetic construct]" . . . . . 99.15 2302 99.14 99.14 2.02e-67 . . . . 6635 1 6 no GB AAF22005 . "pancreas-enriched phospholipase C [Homo sapiens]" . . . . . 99.15 1103 99.14 99.14 2.80e-68 . . . . 6635 1 7 no GB AAG17145 . "phosphoinositide-specific phospholipase C PLC-epsilon [Homo sapiens]" . . . . . 99.15 2303 99.14 99.14 2.27e-67 . . . . 6635 1 8 no GB AAG28341 . "phospholipase C epsilon [Homo sapiens]" . . . . . 99.15 1994 99.14 99.14 2.02e-67 . . . . 6635 1 9 no GB AAI40706 . "Phospholipase C, epsilon 1 [Homo sapiens]" . . . . . 99.15 2302 99.14 99.14 2.04e-67 . . . . 6635 1 10 no GB AAI44287 . "PLCE1 protein [Homo sapiens]" . . . . . 99.15 2286 99.14 99.14 1.91e-67 . . . . 6635 1 11 no REF NP_001159451 . "1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase epsilon-1 isoform 2 [Homo sapiens]" . . . . . 99.15 1994 99.14 99.14 1.83e-67 . . . . 6635 1 12 no REF NP_001275918 . "1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase epsilon-1 isoform 3 [Homo sapiens]" . . . . . 99.15 2286 99.14 99.14 1.91e-67 . . . . 6635 1 13 no REF NP_057425 . "1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase epsilon-1 isoform 1 [Homo sapiens]" . . . . . 99.15 2302 99.14 99.14 2.04e-67 . . . . 6635 1 14 no REF XP_001502425 . "PREDICTED: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase epsilon-1 isoform 1 [Equus caballus]" . . . . . 99.15 2299 97.41 99.14 2.12e-66 . . . . 6635 1 15 no REF XP_002805823 . "PREDICTED: 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase epsilon-1 [Macaca mulatta]" . . . . . 99.15 2180 98.28 99.14 6.54e-67 . . . . 6635 1 16 no SP Q9P212 . "RecName: Full=1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase epsilon-1; AltName: Full=Pancreas-enriched phospholipas" . . . . . 99.15 2302 99.14 99.14 2.04e-67 . . . . 6635 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 -1 GLY . 6635 1 2 1 SER . 6635 1 3 2 SER . 6635 1 4 3 GLU . 6635 1 5 4 GLU . 6635 1 6 5 GLU . 6635 1 7 6 SER . 6635 1 8 7 PHE . 6635 1 9 8 PHE . 6635 1 10 9 VAL . 6635 1 11 10 GLN . 6635 1 12 11 VAL . 6635 1 13 12 HIS . 6635 1 14 13 ASP . 6635 1 15 14 VAL . 6635 1 16 15 SER . 6635 1 17 16 PRO . 6635 1 18 17 GLU . 6635 1 19 18 GLN . 6635 1 20 19 PRO . 6635 1 21 20 LEU . 6635 1 22 21 THR . 6635 1 23 22 VAL . 6635 1 24 23 ILE . 6635 1 25 24 LYS . 6635 1 26 25 ALA . 6635 1 27 26 PRO . 6635 1 28 27 ARG . 6635 1 29 28 VAL . 6635 1 30 29 SER . 6635 1 31 30 THR . 6635 1 32 31 ALA . 6635 1 33 32 GLN . 6635 1 34 33 ASP . 6635 1 35 34 VAL . 6635 1 36 35 ILE . 6635 1 37 36 GLN . 6635 1 38 37 GLN . 6635 1 39 38 THR . 6635 1 40 39 LEU . 6635 1 41 40 CYS . 6635 1 42 41 LYS . 6635 1 43 42 ALA . 6635 1 44 43 LYS . 6635 1 45 44 TYR . 6635 1 46 45 SER . 6635 1 47 46 TYR . 6635 1 48 47 SER . 6635 1 49 48 ILE . 6635 1 50 49 LEU . 6635 1 51 50 SER . 6635 1 52 51 ASN . 6635 1 53 52 PRO . 6635 1 54 53 ASN . 6635 1 55 54 PRO . 6635 1 56 55 SER . 6635 1 57 56 ASP . 6635 1 58 57 TYR . 6635 1 59 58 VAL . 6635 1 60 59 LEU . 6635 1 61 60 LEU . 6635 1 62 61 GLU . 6635 1 63 62 GLU . 6635 1 64 63 VAL . 6635 1 65 64 VAL . 6635 1 66 65 LYS . 6635 1 67 66 ASP . 6635 1 68 67 THR . 6635 1 69 68 THR . 6635 1 70 69 ASN . 6635 1 71 70 LYS . 6635 1 72 71 LYS . 6635 1 73 72 THR . 6635 1 74 73 THR . 6635 1 75 74 THR . 6635 1 76 75 PRO . 6635 1 77 76 LYS . 6635 1 78 77 SER . 6635 1 79 78 SER . 6635 1 80 79 GLN . 6635 1 81 80 ARG . 6635 1 82 81 VAL . 6635 1 83 82 LEU . 6635 1 84 83 LEU . 6635 1 85 84 ASP . 6635 1 86 85 GLN . 6635 1 87 86 GLU . 6635 1 88 87 CYS . 6635 1 89 88 VAL . 6635 1 90 89 PHE . 6635 1 91 90 GLN . 6635 1 92 91 ALA . 6635 1 93 92 GLN . 6635 1 94 93 SER . 6635 1 95 94 LYS . 6635 1 96 95 TRP . 6635 1 97 96 LYS . 6635 1 98 97 GLY . 6635 1 99 98 ALA . 6635 1 100 99 GLY . 6635 1 101 100 LYS . 6635 1 102 101 PHE . 6635 1 103 102 ILE . 6635 1 104 103 LEU . 6635 1 105 104 LYS . 6635 1 106 105 LEU . 6635 1 107 106 LYS . 6635 1 108 107 GLU . 6635 1 109 108 GLN . 6635 1 110 109 VAL . 6635 1 111 110 GLN . 6635 1 112 111 ALA . 6635 1 113 112 SER . 6635 1 114 113 ARG . 6635 1 115 114 GLU . 6635 1 116 115 ASP . 6635 1 117 116 LYS . 6635 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 6635 1 . SER 2 2 6635 1 . SER 3 3 6635 1 . GLU 4 4 6635 1 . GLU 5 5 6635 1 . GLU 6 6 6635 1 . SER 7 7 6635 1 . PHE 8 8 6635 1 . PHE 9 9 6635 1 . VAL 10 10 6635 1 . GLN 11 11 6635 1 . VAL 12 12 6635 1 . HIS 13 13 6635 1 . ASP 14 14 6635 1 . VAL 15 15 6635 1 . SER 16 16 6635 1 . PRO 17 17 6635 1 . GLU 18 18 6635 1 . GLN 19 19 6635 1 . PRO 20 20 6635 1 . LEU 21 21 6635 1 . THR 22 22 6635 1 . VAL 23 23 6635 1 . ILE 24 24 6635 1 . LYS 25 25 6635 1 . ALA 26 26 6635 1 . PRO 27 27 6635 1 . ARG 28 28 6635 1 . VAL 29 29 6635 1 . SER 30 30 6635 1 . THR 31 31 6635 1 . ALA 32 32 6635 1 . GLN 33 33 6635 1 . ASP 34 34 6635 1 . VAL 35 35 6635 1 . ILE 36 36 6635 1 . GLN 37 37 6635 1 . GLN 38 38 6635 1 . THR 39 39 6635 1 . LEU 40 40 6635 1 . CYS 41 41 6635 1 . LYS 42 42 6635 1 . ALA 43 43 6635 1 . LYS 44 44 6635 1 . TYR 45 45 6635 1 . SER 46 46 6635 1 . TYR 47 47 6635 1 . SER 48 48 6635 1 . ILE 49 49 6635 1 . LEU 50 50 6635 1 . SER 51 51 6635 1 . ASN 52 52 6635 1 . PRO 53 53 6635 1 . ASN 54 54 6635 1 . PRO 55 55 6635 1 . SER 56 56 6635 1 . ASP 57 57 6635 1 . TYR 58 58 6635 1 . VAL 59 59 6635 1 . LEU 60 60 6635 1 . LEU 61 61 6635 1 . GLU 62 62 6635 1 . GLU 63 63 6635 1 . VAL 64 64 6635 1 . VAL 65 65 6635 1 . LYS 66 66 6635 1 . ASP 67 67 6635 1 . THR 68 68 6635 1 . THR 69 69 6635 1 . ASN 70 70 6635 1 . LYS 71 71 6635 1 . LYS 72 72 6635 1 . THR 73 73 6635 1 . THR 74 74 6635 1 . THR 75 75 6635 1 . PRO 76 76 6635 1 . LYS 77 77 6635 1 . SER 78 78 6635 1 . SER 79 79 6635 1 . GLN 80 80 6635 1 . ARG 81 81 6635 1 . VAL 82 82 6635 1 . LEU 83 83 6635 1 . LEU 84 84 6635 1 . ASP 85 85 6635 1 . GLN 86 86 6635 1 . GLU 87 87 6635 1 . CYS 88 88 6635 1 . VAL 89 89 6635 1 . PHE 90 90 6635 1 . GLN 91 91 6635 1 . ALA 92 92 6635 1 . GLN 93 93 6635 1 . SER 94 94 6635 1 . LYS 95 95 6635 1 . TRP 96 96 6635 1 . LYS 97 97 6635 1 . GLY 98 98 6635 1 . ALA 99 99 6635 1 . GLY 100 100 6635 1 . LYS 101 101 6635 1 . PHE 102 102 6635 1 . ILE 103 103 6635 1 . LEU 104 104 6635 1 . LYS 105 105 6635 1 . LEU 106 106 6635 1 . LYS 107 107 6635 1 . GLU 108 108 6635 1 . GLN 109 109 6635 1 . VAL 110 110 6635 1 . GLN 111 111 6635 1 . ALA 112 112 6635 1 . SER 113 113 6635 1 . ARG 114 114 6635 1 . GLU 115 115 6635 1 . ASP 116 116 6635 1 . LYS 117 117 6635 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 6635 _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 $RA2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6635 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 6635 _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 $RA2 . 'recombinant technology' . 'E. coli' C41(DE3) . . . . . . . . . . . . . . . . . . . . . . . . . . 6635 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Sample.Sf_category sample _Sample.Sf_framecode 15N _Sample.Entry_ID 6635 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N labelled RA2' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RA2 [U-15N] . . 1 $RA2 . . 1 . . mM . . . . 6635 1 2 'sodium chloride' . . . . . . . 250 . . mM . . . . 6635 1 3 DTT . . . . . . . 5 . . mM . . . . 6635 1 4 'sodium phosphate' . . . . . . . 25 . . mM . . . . 6635 1 5 EDTA . . . . . . . 0.1 . . mM . . . . 6635 1 stop_ save_ save_13C15N _Sample.Sf_category sample _Sample.Sf_framecode 13C15N _Sample.Entry_ID 6635 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C/15N labelled RA2' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RA2 '[U13C; U-15N]' . . 1 $RA2 . . 1 . . mM . . . . 6635 2 2 'sodium chloride' . . . . . . . 250 . . mM . . . . 6635 2 3 DTT . . . . . . . 5 . . mM . . . . 6635 2 4 'sodium phospahte' . . . . . . . 25 . . mM . . . . 6635 2 5 EDTA . . . . . . . 0.1 . . mM . . . . 6635 2 stop_ save_ save_1H _Sample.Sf_category sample _Sample.Sf_framecode 1H _Sample.Entry_ID 6635 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'unlabelled RA2 in D2O buffer' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RA2 unlabeled . . 1 $RA2 . . 1 . . mM . . . . 6635 3 2 'sodium chloride' . . . . . . . 250 . . mM . . . . 6635 3 3 DTT . . . . . . . 5 . . mM . . . . 6635 3 4 'sodium phospahte' . . . . . . . 25 . . mM . . . . 6635 3 5 EDTA . . . . . . . 0.1 . . mM . . . . 6635 3 6 'dueterium oxide' . . . . . . . 100 . . % . . . . 6635 3 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6635 _Sample_condition_list.ID 1 _Sample_condition_list.Details '13C/15N labelled sample' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.2 pH 6635 1 temperature 298 0.5 K 6635 1 stop_ save_ save_unlabelled _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode unlabelled _Sample_condition_list.Entry_ID 6635 _Sample_condition_list.ID 2 _Sample_condition_list.Details 'unlabelled sample in D2O buffer' 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 pD 6.1 0.2 pH 6635 2 temperature 298 0.5 K 6635 2 stop_ save_ ############################ # Computer software used # ############################ save_Ansig _Software.Sf_category software _Software.Sf_framecode Ansig _Software.Entry_ID 6635 _Software.ID 1 _Software.Name ANSIG _Software.Version 3.3 _Software.Details ; Linux version ansig4opengl-1.0.3 Kraulis, Journal of Magnetic Resonance (1989) v24, 627-633 ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'analysing NMR spectra' 6635 1 stop_ save_ save_NMRpipe _Software.Sf_category software _Software.Sf_framecode NMRpipe _Software.Entry_ID 6635 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details 'Delaglio et al. (1995) Journal of Biomolecular NMR, v6, p277-293' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Processing NMR spectra' 6635 2 stop_ save_ save_Azara _Software.Sf_category software _Software.Sf_framecode Azara _Software.Entry_ID 6635 _Software.ID 3 _Software.Name AZARA _Software.Version 2.7 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'conversion of nmrPipe format data to ansig format' 6635 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6635 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_500MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer _NMR_spectrometer.Entry_ID 6635 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6635 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H15N HSQC' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6635 1 2 '13C1H HSQC' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6635 1 3 HNCA no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6635 1 4 HNcoCA no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6635 1 5 HNCACB no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6635 1 6 CBCAcoNH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6635 1 7 HNCO no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6635 1 8 HAcacoNH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6635 1 9 HCCH-TOCSY no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6635 1 10 '13C NOESY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6635 1 11 '15N NOESY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6635 1 12 NOESY no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6635 1 13 TOCSY no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6635 1 14 HACANH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6635 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6635 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details '1H,13C,15N chemical shifts indirectly referenced to 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 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6635 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6635 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6635 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6635 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _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 '1H15N HSQC' 1 $15N isotropic 6635 1 2 '15N NOESY' 1 $15N isotropic 6635 1 3 '13C1H HSQC' 2 $13C15N isotropic 6635 1 4 HNCA 2 $13C15N isotropic 6635 1 5 HNcoCA 2 $13C15N isotropic 6635 1 6 HNCACB 2 $13C15N isotropic 6635 1 7 CBCAcoNH 2 $13C15N isotropic 6635 1 8 HNCO 2 $13C15N isotropic 6635 1 9 HAcacoNH 2 $13C15N isotropic 6635 1 10 HCCH-TOCSY 2 $13C15N isotropic 6635 1 11 '13C NOESY' 2 $13C15N isotropic 6635 1 12 HACANH 2 $13C15N isotropic 6635 1 13 NOESY 3 $1H isotropic 6635 1 14 TOCSY 3 $1H isotropic 6635 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 3 3 SER HA H 1 4.415 0.02 . 1 . . . . 2 Ser HA . 6635 1 2 . 1 1 3 3 SER HB2 H 1 3.85 0.02 . 2 . . . . 2 Ser HB1 . 6635 1 3 . 1 1 3 3 SER HB3 H 1 3.897 0.02 . 2 . . . . 2 Ser HB2 . 6635 1 4 . 1 1 3 3 SER C C 13 175.295 0.4 . 1 . . . . 2 Ser CO . 6635 1 5 . 1 1 3 3 SER CA C 13 58.845 0.4 . 1 . . . . 2 Ser CA . 6635 1 6 . 1 1 3 3 SER CB C 13 63.496 0.4 . 1 . . . . 2 Ser CB . 6635 1 7 . 1 1 4 4 GLU H H 1 8.477 0.02 . 1 . . . . 3 Glu HN . 6635 1 8 . 1 1 4 4 GLU HA H 1 4.1765 0.02 . 1 . . . . 3 Glu HA . 6635 1 9 . 1 1 4 4 GLU HB2 H 1 1.714 0.02 . 2 . . . . 3 Glu HB1 . 6635 1 10 . 1 1 4 4 GLU HB3 H 1 1.863 0.02 . 2 . . . . 3 Glu HB2 . 6635 1 11 . 1 1 4 4 GLU HG2 H 1 1.421 0.02 . 2 . . . . 3 Glu HG1 . 6635 1 12 . 1 1 4 4 GLU HG3 H 1 2.213 0.02 . 2 . . . . 3 Glu HG2 . 6635 1 13 . 1 1 4 4 GLU C C 13 177.03 0.4 . 1 . . . . 3 Glu CO . 6635 1 14 . 1 1 4 4 GLU CB C 13 29.994 0.4 . 1 . . . . 3 Glu CB . 6635 1 15 . 1 1 4 4 GLU N N 15 122.779 0.1 . 1 . . . . 3 Glu N . 6635 1 16 . 1 1 5 5 GLU H H 1 8.194 0.02 . 1 . . . . 4 Glu HN . 6635 1 17 . 1 1 5 5 GLU HA H 1 4.215 0.02 . 1 . . . . 4 Glu HA . 6635 1 18 . 1 1 5 5 GLU HB2 H 1 1.892 0.02 . 1 . . . . 4 Glu HB# . 6635 1 19 . 1 1 5 5 GLU HB3 H 1 1.892 0.02 . 1 . . . . 4 Glu HB# . 6635 1 20 . 1 1 5 5 GLU HG2 H 1 1.981 0.02 . 2 . . . . 4 Glu HG1 . 6635 1 21 . 1 1 5 5 GLU HG3 H 1 2.213 0.02 . 2 . . . . 4 Glu HG2 . 6635 1 22 . 1 1 5 5 GLU C C 13 176.679 0.4 . 1 . . . . 4 Glu CO . 6635 1 23 . 1 1 5 5 GLU CA C 13 56.722 0.4 . 1 . . . . 4 Glu CA . 6635 1 24 . 1 1 5 5 GLU CB C 13 30.168 0.4 . 1 . . . . 4 Glu CB . 6635 1 25 . 1 1 5 5 GLU N N 15 120.342 0.1 . 1 . . . . 4 Glu N . 6635 1 26 . 1 1 6 6 GLU H H 1 8.133 0.02 . 1 . . . . 5 Glu HN . 6635 1 27 . 1 1 6 6 GLU HA H 1 4.288 0.02 . 1 . . . . 5 Glu HA . 6635 1 28 . 1 1 6 6 GLU HB2 H 1 1.885 0.02 . 2 . . . . 5 Glu HB1 . 6635 1 29 . 1 1 6 6 GLU HB3 H 1 1.971 0.02 . 2 . . . . 5 Glu HB2 . 6635 1 30 . 1 1 6 6 GLU HG2 H 1 2.218 0.02 . 1 . . . . 5 Glu HG# . 6635 1 31 . 1 1 6 6 GLU HG3 H 1 2.218 0.02 . 1 . . . . 5 Glu HG# . 6635 1 32 . 1 1 6 6 GLU C C 13 176.946 0.4 . 1 . . . . 5 Glu CO . 6635 1 33 . 1 1 6 6 GLU CA C 13 56.706 0.4 . 1 . . . . 5 Glu CA . 6635 1 34 . 1 1 6 6 GLU CB C 13 30.532 0.4 . 1 . . . . 5 Glu CB . 6635 1 35 . 1 1 6 6 GLU N N 15 120.045 0.1 . 1 . . . . 5 Glu N . 6635 1 36 . 1 1 7 7 SER H H 1 8.199 0.02 . 1 . . . . 6 Ser HN . 6635 1 37 . 1 1 7 7 SER HA H 1 5.226 0.02 . 1 . . . . 6 Ser HA . 6635 1 38 . 1 1 7 7 SER HB2 H 1 3.415 0.02 . 2 . . . . 6 Ser HB1 . 6635 1 39 . 1 1 7 7 SER HB3 H 1 3.457 0.02 . 2 . . . . 6 Ser HB2 . 6635 1 40 . 1 1 7 7 SER C C 13 172.401 0.4 . 1 . . . . 6 Ser CO . 6635 1 41 . 1 1 7 7 SER CA C 13 57.728 0.4 . 1 . . . . 6 Ser CA . 6635 1 42 . 1 1 7 7 SER CB C 13 66.451 0.4 . 1 . . . . 6 Ser CB . 6635 1 43 . 1 1 7 7 SER N N 15 117.162 0.1 . 1 . . . . 6 Ser N . 6635 1 44 . 1 1 8 8 PHE H H 1 9.326 0.02 . 1 . . . . 7 Phe HN . 6635 1 45 . 1 1 8 8 PHE HA H 1 4.85 0.02 . 1 . . . . 7 Phe HA . 6635 1 46 . 1 1 8 8 PHE HB2 H 1 3.104 0.02 . 2 . . . . 7 Phe HB1 . 6635 1 47 . 1 1 8 8 PHE HB3 H 1 3.287 0.02 . 2 . . . . 7 Phe HB2 . 6635 1 48 . 1 1 8 8 PHE HD1 H 1 7.289 0.02 . 1 . . . . 7 Phe HD# . 6635 1 49 . 1 1 8 8 PHE HD2 H 1 7.289 0.02 . 1 . . . . 7 Phe HD# . 6635 1 50 . 1 1 8 8 PHE HE1 H 1 7.229 0.02 . 1 . . . . 7 Phe HE# . 6635 1 51 . 1 1 8 8 PHE HE2 H 1 7.229 0.02 . 1 . . . . 7 Phe HE# . 6635 1 52 . 1 1 8 8 PHE HZ H 1 6.861 0.02 . 1 . . . . 7 Phe HZ . 6635 1 53 . 1 1 8 8 PHE C C 13 171.66 0.4 . 1 . . . . 7 Phe CO . 6635 1 54 . 1 1 8 8 PHE CA C 13 55.368 0.4 . 1 . . . . 7 Phe CA . 6635 1 55 . 1 1 8 8 PHE CB C 13 40.857 0.4 . 1 . . . . 7 Phe CB . 6635 1 56 . 1 1 8 8 PHE CD1 C 13 132.745 0.4 . 1 . . . . 7 Phe CD# . 6635 1 57 . 1 1 8 8 PHE CD2 C 13 132.745 0.4 . 1 . . . . 7 Phe CD# . 6635 1 58 . 1 1 8 8 PHE CE1 C 13 131.93 0.4 . 1 . . . . 7 Phe CE# . 6635 1 59 . 1 1 8 8 PHE CE2 C 13 131.93 0.4 . 1 . . . . 7 Phe CE# . 6635 1 60 . 1 1 8 8 PHE CZ C 13 129.618 0.4 . 1 . . . . 7 Phe CZ . 6635 1 61 . 1 1 8 8 PHE N N 15 122.295 0.1 . 1 . . . . 7 Phe N . 6635 1 62 . 1 1 9 9 PHE H H 1 8.601 0.02 . 1 . . . . 8 Phe HN . 6635 1 63 . 1 1 9 9 PHE HA H 1 5.144 0.02 . 1 . . . . 8 Phe HA . 6635 1 64 . 1 1 9 9 PHE HB2 H 1 2.649 0.02 . 2 . . . . 8 Phe HB1 . 6635 1 65 . 1 1 9 9 PHE HB3 H 1 2.877 0.02 . 2 . . . . 8 Phe HB2 . 6635 1 66 . 1 1 9 9 PHE HD1 H 1 7.126 0.02 . 1 . . . . 8 Phe HD# . 6635 1 67 . 1 1 9 9 PHE HD2 H 1 7.126 0.02 . 1 . . . . 8 Phe HD# . 6635 1 68 . 1 1 9 9 PHE HE1 H 1 7.327 0.02 . 1 . . . . 8 Phe HE# . 6635 1 69 . 1 1 9 9 PHE HE2 H 1 7.327 0.02 . 1 . . . . 8 Phe HE# . 6635 1 70 . 1 1 9 9 PHE HZ H 1 7.284 0.02 . 1 . . . . 8 Phe HZ . 6635 1 71 . 1 1 9 9 PHE C C 13 175.295 0.4 . 1 . . . . 8 Phe CO . 6635 1 72 . 1 1 9 9 PHE CA C 13 57.104 0.4 . 1 . . . . 8 Phe CA . 6635 1 73 . 1 1 9 9 PHE CB C 13 40.334 0.4 . 1 . . . . 8 Phe CB . 6635 1 74 . 1 1 9 9 PHE CD1 C 13 131.759 0.4 . 1 . . . . 8 Phe CD# . 6635 1 75 . 1 1 9 9 PHE CD2 C 13 131.759 0.4 . 1 . . . . 8 Phe CD# . 6635 1 76 . 1 1 9 9 PHE CE1 C 13 131.68 0.4 . 1 . . . . 8 Phe CE# . 6635 1 77 . 1 1 9 9 PHE CE2 C 13 131.68 0.4 . 1 . . . . 8 Phe CE# . 6635 1 78 . 1 1 9 9 PHE CZ C 13 129.715 0.4 . 1 . . . . 8 Phe CZ . 6635 1 79 . 1 1 9 9 PHE N N 15 118.591 0.1 . 1 . . . . 8 Phe N . 6635 1 80 . 1 1 10 10 VAL H H 1 9.055 0.02 . 1 . . . . 9 Val HN . 6635 1 81 . 1 1 10 10 VAL HA H 1 4.372 0.02 . 1 . . . . 9 Val HA . 6635 1 82 . 1 1 10 10 VAL HB H 1 1.648 0.02 . 1 . . . . 9 Val HB . 6635 1 83 . 1 1 10 10 VAL HG11 H 1 0.521 0.02 . 2 . . . . 9 Val HG1# . 6635 1 84 . 1 1 10 10 VAL HG12 H 1 0.521 0.02 . 2 . . . . 9 Val HG1# . 6635 1 85 . 1 1 10 10 VAL HG13 H 1 0.521 0.02 . 2 . . . . 9 Val HG1# . 6635 1 86 . 1 1 10 10 VAL HG21 H 1 0.644 0.02 . 2 . . . . 9 Val HG2# . 6635 1 87 . 1 1 10 10 VAL HG22 H 1 0.644 0.02 . 2 . . . . 9 Val HG2# . 6635 1 88 . 1 1 10 10 VAL HG23 H 1 0.644 0.02 . 2 . . . . 9 Val HG2# . 6635 1 89 . 1 1 10 10 VAL CA C 13 59.794 0.4 . 1 . . . . 9 Val CA . 6635 1 90 . 1 1 10 10 VAL CB C 13 33.836 0.4 . 1 . . . . 9 Val CB . 6635 1 91 . 1 1 10 10 VAL CG1 C 13 22.131 0.4 . 2 . . . . 9 Val CG1 . 6635 1 92 . 1 1 10 10 VAL CG2 C 13 21.065 0.4 . 2 . . . . 9 Val CG2 . 6635 1 93 . 1 1 10 10 VAL N N 15 124.092 0.1 . 1 . . . . 9 Val N . 6635 1 94 . 1 1 11 11 GLN H H 1 8.718 0.02 . 1 . . . . 10 Gln HN . 6635 1 95 . 1 1 11 11 GLN HA H 1 4.942 0.02 . 1 . . . . 10 Gln HA . 6635 1 96 . 1 1 11 11 GLN HB2 H 1 1.863 0.02 . 2 . . . . 10 Gln HB1 . 6635 1 97 . 1 1 11 11 GLN HB3 H 1 2.287 0.02 . 2 . . . . 10 Gln HB2 . 6635 1 98 . 1 1 11 11 GLN HG2 H 1 2.159 0.02 . 2 . . . . 10 Gln HG1 . 6635 1 99 . 1 1 11 11 GLN HG3 H 1 2.533 0.02 . 2 . . . . 10 Gln HG2 . 6635 1 100 . 1 1 11 11 GLN C C 13 175.357 0.4 . 1 . . . . 10 Gln CO . 6635 1 101 . 1 1 11 11 GLN CA C 13 54.528 0.4 . 1 . . . . 10 Gln CA . 6635 1 102 . 1 1 11 11 GLN CB C 13 29.395 0.4 . 1 . . . . 10 Gln CB . 6635 1 103 . 1 1 11 11 GLN CG C 13 34.365 0.4 . 1 . . . . 10 Gln CG . 6635 1 104 . 1 1 11 11 GLN N N 15 125.67 0.1 . 1 . . . . 10 Gln N . 6635 1 105 . 1 1 12 12 VAL H H 1 9.166 0.02 . 1 . . . . 11 Val HN . 6635 1 106 . 1 1 12 12 VAL HA H 1 4.453 0.02 . 1 . . . . 11 Val HA . 6635 1 107 . 1 1 12 12 VAL HB H 1 1.798 0.02 . 1 . . . . 11 Val HB . 6635 1 108 . 1 1 12 12 VAL HG11 H 1 0.714 0.02 . 2 . . . . 11 Val HG1# . 6635 1 109 . 1 1 12 12 VAL HG12 H 1 0.714 0.02 . 2 . . . . 11 Val HG1# . 6635 1 110 . 1 1 12 12 VAL HG13 H 1 0.714 0.02 . 2 . . . . 11 Val HG1# . 6635 1 111 . 1 1 12 12 VAL HG21 H 1 0.81 0.02 . 2 . . . . 11 Val HG2# . 6635 1 112 . 1 1 12 12 VAL HG22 H 1 0.81 0.02 . 2 . . . . 11 Val HG2# . 6635 1 113 . 1 1 12 12 VAL HG23 H 1 0.81 0.02 . 2 . . . . 11 Val HG2# . 6635 1 114 . 1 1 12 12 VAL C C 13 175.803 0.4 . 1 . . . . 11 Val CO . 6635 1 115 . 1 1 12 12 VAL CA C 13 62.261 0.4 . 1 . . . . 11 Val CA . 6635 1 116 . 1 1 12 12 VAL CB C 13 33.332 0.4 . 1 . . . . 11 Val CB . 6635 1 117 . 1 1 12 12 VAL CG1 C 13 20.418 0.4 . 2 . . . . 11 Val CG1 . 6635 1 118 . 1 1 12 12 VAL CG2 C 13 23.533 0.4 . 2 . . . . 11 Val CG2 . 6635 1 119 . 1 1 12 12 VAL N N 15 125.314 0.1 . 1 . . . . 11 Val N . 6635 1 120 . 1 1 13 13 HIS H H 1 9.471 0.02 . 1 . . . . 12 His HN . 6635 1 121 . 1 1 13 13 HIS HA H 1 5.088 0.02 . 1 . . . . 12 His HA . 6635 1 122 . 1 1 13 13 HIS HB2 H 1 3.19 0.02 . 2 . . . . 12 His HB1 . 6635 1 123 . 1 1 13 13 HIS HB3 H 1 3.225 0.02 . 2 . . . . 12 His HB2 . 6635 1 124 . 1 1 13 13 HIS HD2 H 1 7.522 0.02 . 2 . . . . 12 His HD2 . 6635 1 125 . 1 1 13 13 HIS HE1 H 1 8.024 0.02 . 1 . . . . 12 His HE1 . 6635 1 126 . 1 1 13 13 HIS CA C 13 56.475 0.4 . 1 . . . . 12 His CA . 6635 1 127 . 1 1 13 13 HIS CB C 13 31.486 0.4 . 1 . . . . 12 His CB . 6635 1 128 . 1 1 13 13 HIS CD2 C 13 121.661 0.4 . 1 . . . . 12 His CD2 . 6635 1 129 . 1 1 13 13 HIS CE1 C 13 137.487 0.4 . 1 . . . . 12 His CE1 . 6635 1 130 . 1 1 13 13 HIS N N 15 128.458 0.1 . 1 . . . . 12 His N . 6635 1 131 . 1 1 14 14 ASP H H 1 8.817 0.02 . 1 . . . . 13 Asp HN . 6635 1 132 . 1 1 14 14 ASP HA H 1 4.73 0.02 . 1 . . . . 13 Asp HA . 6635 1 133 . 1 1 14 14 ASP HB2 H 1 2.705 0.02 . 2 . . . . 13 Asp HB1 . 6635 1 134 . 1 1 14 14 ASP HB3 H 1 2.947 0.02 . 2 . . . . 13 Asp HB2 . 6635 1 135 . 1 1 14 14 ASP CA C 13 52.168 0.4 . 1 . . . . 13 Asp CA . 6635 1 136 . 1 1 14 14 ASP CB C 13 38.861 0.4 . 1 . . . . 13 Asp CB . 6635 1 137 . 1 1 14 14 ASP N N 15 115.51 0.1 . 1 . . . . 13 Asp N . 6635 1 138 . 1 1 15 15 VAL H H 1 8.127 0.02 . 1 . . . . 14 Val HN . 6635 1 139 . 1 1 15 15 VAL HA H 1 4.697 0.02 . 1 . . . . 14 Val HA . 6635 1 140 . 1 1 15 15 VAL HB H 1 1.985 0.02 . 1 . . . . 14 Val HB . 6635 1 141 . 1 1 15 15 VAL HG11 H 1 0.737 0.02 . 1 . . . . 14 Val HG1# . 6635 1 142 . 1 1 15 15 VAL HG12 H 1 0.737 0.02 . 1 . . . . 14 Val HG1# . 6635 1 143 . 1 1 15 15 VAL HG13 H 1 0.737 0.02 . 1 . . . . 14 Val HG1# . 6635 1 144 . 1 1 15 15 VAL HG21 H 1 0.737 0.02 . 1 . . . . 14 Val HG2# . 6635 1 145 . 1 1 15 15 VAL HG22 H 1 0.737 0.02 . 1 . . . . 14 Val HG2# . 6635 1 146 . 1 1 15 15 VAL HG23 H 1 0.737 0.02 . 1 . . . . 14 Val HG2# . 6635 1 147 . 1 1 15 15 VAL N N 15 118.89 0.1 . 1 . . . . 14 Val N . 6635 1 148 . 1 1 16 16 SER HA H 1 4.857 0.02 . 1 . . . . 15 Ser HA . 6635 1 149 . 1 1 16 16 SER HB2 H 1 3.647 0.02 . 2 . . . . 15 Ser HB1 . 6635 1 150 . 1 1 16 16 SER HB3 H 1 4.078 0.02 . 2 . . . . 15 Ser HB2 . 6635 1 151 . 1 1 16 16 SER CA C 13 56.167 0.4 . 1 . . . . 15 Ser CA . 6635 1 152 . 1 1 16 16 SER CB C 13 64.697 0.4 . 1 . . . . 15 Ser CB . 6635 1 153 . 1 1 17 17 PRO HA H 1 4.25 0.02 . 1 . . . . 16 Pro HA . 6635 1 154 . 1 1 17 17 PRO HB2 H 1 1.906 0.02 . 2 . . . . 16 Pro HB1 . 6635 1 155 . 1 1 17 17 PRO HB3 H 1 2.385 0.02 . 2 . . . . 16 Pro HB2 . 6635 1 156 . 1 1 17 17 PRO HG2 H 1 1.947 0.02 . 2 . . . . 16 Pro HG1 . 6635 1 157 . 1 1 17 17 PRO HG3 H 1 2.141 0.02 . 2 . . . . 16 Pro HG2 . 6635 1 158 . 1 1 17 17 PRO HD2 H 1 3.888 0.02 . 1 . . . . 16 Pro HD# . 6635 1 159 . 1 1 17 17 PRO HD3 H 1 3.888 0.02 . 1 . . . . 16 Pro HD# . 6635 1 160 . 1 1 17 17 PRO CA C 13 65.442 0.4 . 1 . . . . 16 Pro CA . 6635 1 161 . 1 1 17 17 PRO CB C 13 31.951 0.4 . 1 . . . . 16 Pro CB . 6635 1 162 . 1 1 17 17 PRO CG C 13 28.266 0.4 . 1 . . . . 16 Pro CG . 6635 1 163 . 1 1 17 17 PRO CD C 13 51.18 0.4 . 1 . . . . 16 Pro CD . 6635 1 164 . 1 1 19 19 GLN HA H 1 4.75 0.02 . 1 . . . . 18 Gln HA . 6635 1 165 . 1 1 19 19 GLN HB2 H 1 1.695 0.02 . 2 . . . . 18 Gln HB1 . 6635 1 166 . 1 1 19 19 GLN HB3 H 1 1.918 0.02 . 2 . . . . 18 Gln HB2 . 6635 1 167 . 1 1 19 19 GLN HG2 H 1 2.032 0.02 . 2 . . . . 18 Gln HG1 . 6635 1 168 . 1 1 19 19 GLN HG3 H 1 2.145 0.02 . 2 . . . . 18 Gln HG2 . 6635 1 169 . 1 1 19 19 GLN CA C 13 53.013 0.4 . 1 . . . . 18 Gln CA . 6635 1 170 . 1 1 19 19 GLN CB C 13 29.809 0.4 . 1 . . . . 18 Gln CB . 6635 1 171 . 1 1 19 19 GLN CG C 13 33.792 0.4 . 1 . . . . 18 Gln CG . 6635 1 172 . 1 1 20 20 PRO HA H 1 4.523 0.02 . 1 . . . . 19 Pro HA . 6635 1 173 . 1 1 20 20 PRO HB2 H 1 2.025 0.02 . 2 . . . . 19 Pro HB1 . 6635 1 174 . 1 1 20 20 PRO HB3 H 1 2.478 0.02 . 2 . . . . 19 Pro HB2 . 6635 1 175 . 1 1 20 20 PRO HG2 H 1 2.02 0.02 . 1 . . . . 19 Pro HG# . 6635 1 176 . 1 1 20 20 PRO HG3 H 1 2.02 0.02 . 1 . . . . 19 Pro HG# . 6635 1 177 . 1 1 20 20 PRO HD2 H 1 3.374 0.02 . 2 . . . . 19 Pro HD1 . 6635 1 178 . 1 1 20 20 PRO HD3 H 1 3.74 0.02 . 2 . . . . 19 Pro HD2 . 6635 1 179 . 1 1 20 20 PRO CA C 13 65.227 0.4 . 1 . . . . 19 Pro CA . 6635 1 180 . 1 1 20 20 PRO CB C 13 32.441 0.4 . 1 . . . . 19 Pro CB . 6635 1 181 . 1 1 20 20 PRO CG C 13 27.304 0.4 . 1 . . . . 19 Pro CG . 6635 1 182 . 1 1 20 20 PRO CD C 13 50.48 0.4 . 1 . . . . 19 Pro CD . 6635 1 183 . 1 1 21 21 LEU HA H 1 4.67 0.02 . 1 . . . . 20 Leu HA . 6635 1 184 . 1 1 21 21 LEU HB2 H 1 1.242 0.02 . 2 . . . . 20 Leu HB1 . 6635 1 185 . 1 1 21 21 LEU HB3 H 1 1.543 0.02 . 2 . . . . 20 Leu HB2 . 6635 1 186 . 1 1 21 21 LEU HG H 1 1.145 0.02 . 1 . . . . 20 Leu HG . 6635 1 187 . 1 1 21 21 LEU HD11 H 1 0.39 0.02 . 2 . . . . 20 Leu HD1# . 6635 1 188 . 1 1 21 21 LEU HD12 H 1 0.39 0.02 . 2 . . . . 20 Leu HD1# . 6635 1 189 . 1 1 21 21 LEU HD13 H 1 0.39 0.02 . 2 . . . . 20 Leu HD1# . 6635 1 190 . 1 1 21 21 LEU HD21 H 1 0.628 0.02 . 2 . . . . 20 Leu HD2# . 6635 1 191 . 1 1 21 21 LEU HD22 H 1 0.628 0.02 . 2 . . . . 20 Leu HD2# . 6635 1 192 . 1 1 21 21 LEU HD23 H 1 0.628 0.02 . 2 . . . . 20 Leu HD2# . 6635 1 193 . 1 1 21 21 LEU CA C 13 54.957 0.4 . 1 . . . . 20 Leu CA . 6635 1 194 . 1 1 21 21 LEU CB C 13 45.165 0.4 . 1 . . . . 20 Leu CB . 6635 1 195 . 1 1 21 21 LEU CG C 13 27.185 0.4 . 1 . . . . 20 Leu CG . 6635 1 196 . 1 1 21 21 LEU CD1 C 13 23.137 0.4 . 2 . . . . 20 Leu CD1 . 6635 1 197 . 1 1 21 21 LEU CD2 C 13 24.754 0.4 . 2 . . . . 20 Leu CD2 . 6635 1 198 . 1 1 22 22 THR HA H 1 4.449 0.02 . 1 . . . . 21 Thr HA . 6635 1 199 . 1 1 22 22 THR HB H 1 3.831 0.02 . 1 . . . . 21 Thr HB . 6635 1 200 . 1 1 22 22 THR HG21 H 1 1.114 0.02 . 1 . . . . 21 Thr HG2# . 6635 1 201 . 1 1 22 22 THR HG22 H 1 1.114 0.02 . 1 . . . . 21 Thr HG2# . 6635 1 202 . 1 1 22 22 THR HG23 H 1 1.114 0.02 . 1 . . . . 21 Thr HG2# . 6635 1 203 . 1 1 22 22 THR C C 13 172.018 0.4 . 1 . . . . 21 Thr CO . 6635 1 204 . 1 1 22 22 THR CA C 13 62.162 0.4 . 1 . . . . 21 Thr CA . 6635 1 205 . 1 1 22 22 THR CB C 13 70.726 0.4 . 1 . . . . 21 Thr CB . 6635 1 206 . 1 1 22 22 THR CG2 C 13 21.252 0.4 . 1 . . . . 21 Thr CG2 . 6635 1 207 . 1 1 23 23 VAL H H 1 8.66 0.02 . 1 . . . . 22 Val HN . 6635 1 208 . 1 1 23 23 VAL HA H 1 4.869 0.02 . 1 . . . . 22 Val HA . 6635 1 209 . 1 1 23 23 VAL HB H 1 1.909 0.02 . 1 . . . . 22 Val HB . 6635 1 210 . 1 1 23 23 VAL HG11 H 1 0.808 0.02 . 1 . . . . 22 Val HG1# . 6635 1 211 . 1 1 23 23 VAL HG12 H 1 0.808 0.02 . 1 . . . . 22 Val HG1# . 6635 1 212 . 1 1 23 23 VAL HG13 H 1 0.808 0.02 . 1 . . . . 22 Val HG1# . 6635 1 213 . 1 1 23 23 VAL HG21 H 1 0.808 0.02 . 1 . . . . 22 Val HG2# . 6635 1 214 . 1 1 23 23 VAL HG22 H 1 0.808 0.02 . 1 . . . . 22 Val HG2# . 6635 1 215 . 1 1 23 23 VAL HG23 H 1 0.808 0.02 . 1 . . . . 22 Val HG2# . 6635 1 216 . 1 1 23 23 VAL C C 13 175.48 0.4 . 1 . . . . 22 Val CO . 6635 1 217 . 1 1 23 23 VAL CA C 13 61.483 0.4 . 1 . . . . 22 Val CA . 6635 1 218 . 1 1 23 23 VAL CB C 13 33.039 0.4 . 1 . . . . 22 Val CB . 6635 1 219 . 1 1 23 23 VAL N N 15 127.545 0.1 . 1 . . . . 22 Val N . 6635 1 220 . 1 1 24 24 ILE H H 1 8.744 0.02 . 1 . . . . 23 Ile HN . 6635 1 221 . 1 1 24 24 ILE HA H 1 4.596 0.02 . 1 . . . . 23 Ile HA . 6635 1 222 . 1 1 24 24 ILE HB H 1 1.74 0.02 . 1 . . . . 23 Ile HB . 6635 1 223 . 1 1 24 24 ILE HG12 H 1 1.014 0.02 . 2 . . . . 23 Ile HG11 . 6635 1 224 . 1 1 24 24 ILE HG13 H 1 1.244 0.02 . 2 . . . . 23 Ile HG12 . 6635 1 225 . 1 1 24 24 ILE HG21 H 1 0.685 0.02 . 1 . . . . 23 Ile HG2# . 6635 1 226 . 1 1 24 24 ILE HG22 H 1 0.685 0.02 . 1 . . . . 23 Ile HG2# . 6635 1 227 . 1 1 24 24 ILE HG23 H 1 0.685 0.02 . 1 . . . . 23 Ile HG2# . 6635 1 228 . 1 1 24 24 ILE HD11 H 1 0.634 0.02 . 1 . . . . 23 Ile HD1# . 6635 1 229 . 1 1 24 24 ILE HD12 H 1 0.634 0.02 . 1 . . . . 23 Ile HD1# . 6635 1 230 . 1 1 24 24 ILE HD13 H 1 0.634 0.02 . 1 . . . . 23 Ile HD1# . 6635 1 231 . 1 1 24 24 ILE C C 13 173.718 0.4 . 1 . . . . 23 Ile CO . 6635 1 232 . 1 1 24 24 ILE CA C 13 58.191 0.4 . 1 . . . . 23 Ile CA . 6635 1 233 . 1 1 24 24 ILE CB C 13 41.124 0.4 . 1 . . . . 23 Ile CB . 6635 1 234 . 1 1 24 24 ILE CG1 C 13 26.11 0.4 . 1 . . . . 23 Ile CG1 . 6635 1 235 . 1 1 24 24 ILE CG2 C 13 18.284 0.4 . 1 . . . . 23 Ile CG2 . 6635 1 236 . 1 1 24 24 ILE CD1 C 13 13.925 0.4 . 1 . . . . 23 Ile CD1 . 6635 1 237 . 1 1 24 24 ILE N N 15 124.451 0.1 . 1 . . . . 23 Ile N . 6635 1 238 . 1 1 25 25 LYS H H 1 8.392 0.02 . 1 . . . . 24 Lys HN . 6635 1 239 . 1 1 25 25 LYS HA H 1 4.365 0.02 . 1 . . . . 24 Lys HA . 6635 1 240 . 1 1 25 25 LYS HB2 H 1 1.289 0.02 . 2 . . . . 24 Lys HB1 . 6635 1 241 . 1 1 25 25 LYS HB3 H 1 1.653 0.02 . 2 . . . . 24 Lys HB2 . 6635 1 242 . 1 1 25 25 LYS HG2 H 1 0.329 0.02 . 2 . . . . 24 Lys HG1 . 6635 1 243 . 1 1 25 25 LYS HG3 H 1 0.699 0.02 . 2 . . . . 24 Lys HG2 . 6635 1 244 . 1 1 25 25 LYS HD2 H 1 1.404 0.02 . 1 . . . . 24 Lys HD# . 6635 1 245 . 1 1 25 25 LYS HD3 H 1 1.404 0.02 . 1 . . . . 24 Lys HD# . 6635 1 246 . 1 1 25 25 LYS HE2 H 1 2.638 0.02 . 1 . . . . 24 Lys HE# . 6635 1 247 . 1 1 25 25 LYS HE3 H 1 2.638 0.02 . 1 . . . . 24 Lys HE# . 6635 1 248 . 1 1 25 25 LYS C C 13 174.958 0.4 . 1 . . . . 24 Lys CO . 6635 1 249 . 1 1 25 25 LYS CA C 13 54.792 0.4 . 1 . . . . 24 Lys CA . 6635 1 250 . 1 1 25 25 LYS CB C 13 32.854 0.4 . 1 . . . . 24 Lys CB . 6635 1 251 . 1 1 25 25 LYS CG C 13 24.941 0.4 . 1 . . . . 24 Lys CG . 6635 1 252 . 1 1 25 25 LYS CD C 13 29.248 0.4 . 1 . . . . 24 Lys CD . 6635 1 253 . 1 1 25 25 LYS CE C 13 41.493 0.4 . 1 . . . . 24 Lys CE . 6635 1 254 . 1 1 25 25 LYS N N 15 126.373 0.1 . 1 . . . . 24 Lys N . 6635 1 255 . 1 1 26 26 ALA H H 1 8.694 0.02 . 1 . . . . 25 Ala HN . 6635 1 256 . 1 1 26 26 ALA HA H 1 5 0.02 . 1 . . . . 25 Ala HA . 6635 1 257 . 1 1 26 26 ALA HB1 H 1 0.973 0.02 . 1 . . . . 25 Ala HB# . 6635 1 258 . 1 1 26 26 ALA HB2 H 1 0.973 0.02 . 1 . . . . 25 Ala HB# . 6635 1 259 . 1 1 26 26 ALA HB3 H 1 0.973 0.02 . 1 . . . . 25 Ala HB# . 6635 1 260 . 1 1 26 26 ALA CA C 13 48.88 0.4 . 1 . . . . 25 Ala CA . 6635 1 261 . 1 1 26 26 ALA CB C 13 20.862 0.4 . 1 . . . . 25 Ala CB . 6635 1 262 . 1 1 26 26 ALA N N 15 131.495 0.1 . 1 . . . . 25 Ala N . 6635 1 263 . 1 1 27 27 PRO HA H 1 4.727 0.02 . 1 . . . . 26 Pro HA . 6635 1 264 . 1 1 27 27 PRO HB2 H 1 1.735 0.02 . 2 . . . . 26 Pro HB1 . 6635 1 265 . 1 1 27 27 PRO HB3 H 1 2.487 0.02 . 2 . . . . 26 Pro HB2 . 6635 1 266 . 1 1 27 27 PRO HG2 H 1 1.962 0.02 . 2 . . . . 26 Pro HG1 . 6635 1 267 . 1 1 27 27 PRO HG3 H 1 2.082 0.02 . 2 . . . . 26 Pro HG2 . 6635 1 268 . 1 1 27 27 PRO HD2 H 1 3.535 0.02 . 2 . . . . 26 Pro HD1 . 6635 1 269 . 1 1 27 27 PRO HD3 H 1 3.825 0.02 . 2 . . . . 26 Pro HD2 . 6635 1 270 . 1 1 27 27 PRO CA C 13 62.73 0.4 . 1 . . . . 26 Pro CA . 6635 1 271 . 1 1 27 27 PRO CB C 13 32.626 0.4 . 1 . . . . 26 Pro CB . 6635 1 272 . 1 1 27 27 PRO CG C 13 28.085 0.4 . 1 . . . . 26 Pro CG . 6635 1 273 . 1 1 27 27 PRO CD C 13 50.431 0.4 . 1 . . . . 26 Pro CD . 6635 1 274 . 1 1 28 28 ARG H H 1 9.013 0.02 . 1 . . . . 27 Arg HN . 6635 1 275 . 1 1 28 28 ARG HA H 1 3.842 0.02 . 1 . . . . 27 Arg HA . 6635 1 276 . 1 1 28 28 ARG HB2 H 1 1.045 0.02 . 2 . . . . 27 Arg HB1 . 6635 1 277 . 1 1 28 28 ARG HB3 H 1 1.346 0.02 . 2 . . . . 27 Arg HB2 . 6635 1 278 . 1 1 28 28 ARG HG2 H 1 0.398 0.02 . 2 . . . . 27 Arg HG1 . 6635 1 279 . 1 1 28 28 ARG HG3 H 1 0.899 0.02 . 2 . . . . 27 Arg HG2 . 6635 1 280 . 1 1 28 28 ARG HD2 H 1 1.836 0.02 . 2 . . . . 27 Arg HD1 . 6635 1 281 . 1 1 28 28 ARG HD3 H 1 2.338 0.02 . 2 . . . . 27 Arg HD2 . 6635 1 282 . 1 1 28 28 ARG C C 13 178.382 0.4 . 1 . . . . 27 Arg CO . 6635 1 283 . 1 1 28 28 ARG CA C 13 60.224 0.4 . 1 . . . . 27 Arg CA . 6635 1 284 . 1 1 28 28 ARG CB C 13 29.63 0.4 . 1 . . . . 27 Arg CB . 6635 1 285 . 1 1 28 28 ARG CG C 13 28.823 0.4 . 1 . . . . 27 Arg CG . 6635 1 286 . 1 1 28 28 ARG CD C 13 43.045 0.4 . 1 . . . . 27 Arg CD . 6635 1 287 . 1 1 28 28 ARG N N 15 125.529 0.1 . 1 . . . . 27 Arg N . 6635 1 288 . 1 1 29 29 VAL H H 1 7.355 0.02 . 1 . . . . 28 Val HN . 6635 1 289 . 1 1 29 29 VAL HA H 1 4.251 0.02 . 1 . . . . 28 Val HA . 6635 1 290 . 1 1 29 29 VAL HB H 1 2.465 0.02 . 1 . . . . 28 Val HB . 6635 1 291 . 1 1 29 29 VAL HG11 H 1 0.94 0.02 . 2 . . . . 28 Val HG1# . 6635 1 292 . 1 1 29 29 VAL HG12 H 1 0.94 0.02 . 2 . . . . 28 Val HG1# . 6635 1 293 . 1 1 29 29 VAL HG13 H 1 0.94 0.02 . 2 . . . . 28 Val HG1# . 6635 1 294 . 1 1 29 29 VAL HG21 H 1 0.862 0.02 . 2 . . . . 28 Val HG2# . 6635 1 295 . 1 1 29 29 VAL HG22 H 1 0.862 0.02 . 2 . . . . 28 Val HG2# . 6635 1 296 . 1 1 29 29 VAL HG23 H 1 0.862 0.02 . 2 . . . . 28 Val HG2# . 6635 1 297 . 1 1 29 29 VAL C C 13 176.454 0.4 . 1 . . . . 28 Val CO . 6635 1 298 . 1 1 29 29 VAL CA C 13 62.411 0.4 . 1 . . . . 28 Val CA . 6635 1 299 . 1 1 29 29 VAL CB C 13 31.484 0.4 . 1 . . . . 28 Val CB . 6635 1 300 . 1 1 29 29 VAL CG1 C 13 20.724 0.4 . 2 . . . . 28 Val CG1 . 6635 1 301 . 1 1 29 29 VAL CG2 C 13 18.108 0.4 . 2 . . . . 28 Val CG2 . 6635 1 302 . 1 1 29 29 VAL N N 15 110.346 0.1 . 1 . . . . 28 Val N . 6635 1 303 . 1 1 30 30 SER H H 1 7.776 0.02 . 1 . . . . 29 Ser HN . 6635 1 304 . 1 1 30 30 SER HA H 1 4.602 0.02 . 1 . . . . 29 Ser HA . 6635 1 305 . 1 1 30 30 SER HB2 H 1 4.032 0.02 . 1 . . . . 29 Ser HB# . 6635 1 306 . 1 1 30 30 SER HB3 H 1 4.032 0.02 . 1 . . . . 29 Ser HB# . 6635 1 307 . 1 1 30 30 SER C C 13 175.507 0.4 . 1 . . . . 29 Ser CO . 6635 1 308 . 1 1 30 30 SER CA C 13 61 0.4 . 1 . . . . 29 Ser CA . 6635 1 309 . 1 1 30 30 SER CB C 13 64.432 0.4 . 1 . . . . 29 Ser CB . 6635 1 310 . 1 1 30 30 SER N N 15 117.384 0.1 . 1 . . . . 29 Ser N . 6635 1 311 . 1 1 31 31 THR H H 1 9.59 0.02 . 1 . . . . 30 Thr HN . 6635 1 312 . 1 1 31 31 THR HA H 1 4.97 0.02 . 1 . . . . 30 Thr HA . 6635 1 313 . 1 1 31 31 THR HB H 1 4.738 0.02 . 1 . . . . 30 Thr HB . 6635 1 314 . 1 1 31 31 THR HG21 H 1 1.275 0.02 . 1 . . . . 30 Thr HG2# . 6635 1 315 . 1 1 31 31 THR HG22 H 1 1.275 0.02 . 1 . . . . 30 Thr HG2# . 6635 1 316 . 1 1 31 31 THR HG23 H 1 1.275 0.02 . 1 . . . . 30 Thr HG2# . 6635 1 317 . 1 1 31 31 THR C C 13 176.142 0.4 . 1 . . . . 30 Thr CO . 6635 1 318 . 1 1 31 31 THR CA C 13 60.579 0.4 . 1 . . . . 30 Thr CA . 6635 1 319 . 1 1 31 31 THR CB C 13 72.121 0.4 . 1 . . . . 30 Thr CB . 6635 1 320 . 1 1 31 31 THR CG2 C 13 21.795 0.4 . 1 . . . . 30 Thr CG2 . 6635 1 321 . 1 1 31 31 THR N N 15 118.284 0.1 . 1 . . . . 30 Thr N . 6635 1 322 . 1 1 32 32 ALA H H 1 8.277 0.02 . 1 . . . . 31 Ala HN . 6635 1 323 . 1 1 32 32 ALA HA H 1 3.658 0.02 . 1 . . . . 31 Ala HA . 6635 1 324 . 1 1 32 32 ALA HB1 H 1 1.542 0.02 . 1 . . . . 31 Ala HB# . 6635 1 325 . 1 1 32 32 ALA HB2 H 1 1.542 0.02 . 1 . . . . 31 Ala HB# . 6635 1 326 . 1 1 32 32 ALA HB3 H 1 1.542 0.02 . 1 . . . . 31 Ala HB# . 6635 1 327 . 1 1 32 32 ALA C C 13 179.303 0.4 . 1 . . . . 31 Ala CO . 6635 1 328 . 1 1 32 32 ALA CA C 13 56.412 0.4 . 1 . . . . 31 Ala CA . 6635 1 329 . 1 1 32 32 ALA CB C 13 18.472 0.4 . 1 . . . . 31 Ala CB . 6635 1 330 . 1 1 32 32 ALA N N 15 124.337 0.1 . 1 . . . . 31 Ala N . 6635 1 331 . 1 1 33 33 GLN H H 1 8.249 0.02 . 1 . . . . 32 Gln HN . 6635 1 332 . 1 1 33 33 GLN HA H 1 3.904 0.02 . 1 . . . . 32 Gln HA . 6635 1 333 . 1 1 33 33 GLN HB2 H 1 2.008 0.02 . 1 . . . . 32 Gln HB# . 6635 1 334 . 1 1 33 33 GLN HB3 H 1 2.008 0.02 . 1 . . . . 32 Gln HB# . 6635 1 335 . 1 1 33 33 GLN HG2 H 1 2.301 0.02 . 2 . . . . 32 Gln HG1 . 6635 1 336 . 1 1 33 33 GLN HG3 H 1 2.345 0.02 . 2 . . . . 32 Gln HG2 . 6635 1 337 . 1 1 33 33 GLN HE21 H 1 6.867 0.02 . 2 . . . . 32 Gln HE21 . 6635 1 338 . 1 1 33 33 GLN HE22 H 1 7.68 0.02 . 2 . . . . 32 Gln HE22 . 6635 1 339 . 1 1 33 33 GLN C C 13 178.274 0.4 . 1 . . . . 32 Gln CO . 6635 1 340 . 1 1 33 33 GLN CA C 13 59.4 0.4 . 1 . . . . 32 Gln CA . 6635 1 341 . 1 1 33 33 GLN CB C 13 29.074 0.4 . 1 . . . . 32 Gln CB . 6635 1 342 . 1 1 33 33 GLN CG C 13 35.401 0.4 . 1 . . . . 32 Gln CG . 6635 1 343 . 1 1 33 33 GLN N N 15 115.744 0.1 . 1 . . . . 32 Gln N . 6635 1 344 . 1 1 33 33 GLN NE2 N 15 114.36 0.1 . 1 . . . . 32 Gln NE2 . 6635 1 345 . 1 1 34 34 ASP H H 1 7.792 0.02 . 1 . . . . 33 Asp HN . 6635 1 346 . 1 1 34 34 ASP HA H 1 4.321 0.02 . 1 . . . . 33 Asp HA . 6635 1 347 . 1 1 34 34 ASP HB2 H 1 2.853 0.02 . 2 . . . . 33 Asp HB1 . 6635 1 348 . 1 1 34 34 ASP HB3 H 1 3.147 0.02 . 2 . . . . 33 Asp HB2 . 6635 1 349 . 1 1 34 34 ASP C C 13 179.199 0.4 . 1 . . . . 33 Asp CO . 6635 1 350 . 1 1 34 34 ASP CA C 13 57.693 0.4 . 1 . . . . 33 Asp CA . 6635 1 351 . 1 1 34 34 ASP CB C 13 40.689 0.4 . 1 . . . . 33 Asp CB . 6635 1 352 . 1 1 34 34 ASP N N 15 121.048 0.1 . 1 . . . . 33 Asp N . 6635 1 353 . 1 1 35 35 VAL H H 1 8.255 0.02 . 1 . . . . 34 Val HN . 6635 1 354 . 1 1 35 35 VAL HA H 1 3.489 0.02 . 1 . . . . 34 Val HA . 6635 1 355 . 1 1 35 35 VAL HB H 1 2.054 0.02 . 1 . . . . 34 Val HB . 6635 1 356 . 1 1 35 35 VAL HG11 H 1 0.629 0.02 . 2 . . . . 34 Val HG1# . 6635 1 357 . 1 1 35 35 VAL HG12 H 1 0.629 0.02 . 2 . . . . 34 Val HG1# . 6635 1 358 . 1 1 35 35 VAL HG13 H 1 0.629 0.02 . 2 . . . . 34 Val HG1# . 6635 1 359 . 1 1 35 35 VAL HG21 H 1 0.839 0.02 . 2 . . . . 34 Val HG2# . 6635 1 360 . 1 1 35 35 VAL HG22 H 1 0.839 0.02 . 2 . . . . 34 Val HG2# . 6635 1 361 . 1 1 35 35 VAL HG23 H 1 0.839 0.02 . 2 . . . . 34 Val HG2# . 6635 1 362 . 1 1 35 35 VAL C C 13 179.517 0.4 . 1 . . . . 34 Val CO . 6635 1 363 . 1 1 35 35 VAL CA C 13 66.693 0.4 . 1 . . . . 34 Val CA . 6635 1 364 . 1 1 35 35 VAL CB C 13 31.263 0.4 . 1 . . . . 34 Val CB . 6635 1 365 . 1 1 35 35 VAL CG1 C 13 21.56 0.4 . 2 . . . . 34 Val CG1 . 6635 1 366 . 1 1 35 35 VAL CG2 C 13 23.734 0.4 . 2 . . . . 34 Val CG2 . 6635 1 367 . 1 1 35 35 VAL N N 15 120.797 0.1 . 1 . . . . 34 Val N . 6635 1 368 . 1 1 36 36 ILE H H 1 9.014 0.02 . 1 . . . . 35 Ile HN . 6635 1 369 . 1 1 36 36 ILE HA H 1 3.209 0.02 . 1 . . . . 35 Ile HA . 6635 1 370 . 1 1 36 36 ILE HB H 1 1.863 0.02 . 1 . . . . 35 Ile HB . 6635 1 371 . 1 1 36 36 ILE HG12 H 1 0.546 0.02 . 2 . . . . 35 Ile HG11 . 6635 1 372 . 1 1 36 36 ILE HG13 H 1 1.763 0.02 . 2 . . . . 35 Ile HG12 . 6635 1 373 . 1 1 36 36 ILE HG21 H 1 0.816 0.02 . 1 . . . . 35 Ile HG2# . 6635 1 374 . 1 1 36 36 ILE HG22 H 1 0.816 0.02 . 1 . . . . 35 Ile HG2# . 6635 1 375 . 1 1 36 36 ILE HG23 H 1 0.816 0.02 . 1 . . . . 35 Ile HG2# . 6635 1 376 . 1 1 36 36 ILE HD11 H 1 0.74 0.02 . 1 . . . . 35 Ile HD1# . 6635 1 377 . 1 1 36 36 ILE HD12 H 1 0.74 0.02 . 1 . . . . 35 Ile HD1# . 6635 1 378 . 1 1 36 36 ILE HD13 H 1 0.74 0.02 . 1 . . . . 35 Ile HD1# . 6635 1 379 . 1 1 36 36 ILE C C 13 177.309 0.4 . 1 . . . . 35 Ile CO . 6635 1 380 . 1 1 36 36 ILE CA C 13 67.067 0.4 . 1 . . . . 35 Ile CA . 6635 1 381 . 1 1 36 36 ILE CB C 13 38.268 0.4 . 1 . . . . 35 Ile CB . 6635 1 382 . 1 1 36 36 ILE CG1 C 13 30.068 0.4 . 1 . . . . 35 Ile CG1 . 6635 1 383 . 1 1 36 36 ILE CG2 C 13 18.071 0.4 . 1 . . . . 35 Ile CG2 . 6635 1 384 . 1 1 36 36 ILE CD1 C 13 14.095 0.4 . 1 . . . . 35 Ile CD1 . 6635 1 385 . 1 1 36 36 ILE N N 15 125.552 0.1 . 1 . . . . 35 Ile N . 6635 1 386 . 1 1 37 37 GLN H H 1 8.264 0.02 . 1 . . . . 36 Gln HN . 6635 1 387 . 1 1 37 37 GLN HA H 1 3.857 0.02 . 1 . . . . 36 Gln HA . 6635 1 388 . 1 1 37 37 GLN HB2 H 1 2.204 0.02 . 2 . . . . 36 Gln HB1 . 6635 1 389 . 1 1 37 37 GLN HB3 H 1 2.253 0.02 . 2 . . . . 36 Gln HB2 . 6635 1 390 . 1 1 37 37 GLN HG2 H 1 2.32 0.02 . 2 . . . . 36 Gln HG1 . 6635 1 391 . 1 1 37 37 GLN HG3 H 1 2.497 0.02 . 2 . . . . 36 Gln HG2 . 6635 1 392 . 1 1 37 37 GLN C C 13 178.876 0.4 . 1 . . . . 36 Gln CO . 6635 1 393 . 1 1 37 37 GLN CA C 13 60.104 0.4 . 1 . . . . 36 Gln CA . 6635 1 394 . 1 1 37 37 GLN CB C 13 28.011 0.4 . 1 . . . . 36 Gln CB . 6635 1 395 . 1 1 37 37 GLN CG C 13 34.01 0.4 . 1 . . . . 36 Gln CG . 6635 1 396 . 1 1 37 37 GLN N N 15 118.786 0.1 . 1 . . . . 36 Gln N . 6635 1 397 . 1 1 38 38 GLN H H 1 8.116 0.02 . 1 . . . . 37 Gln HN . 6635 1 398 . 1 1 38 38 GLN HA H 1 4.01 0.02 . 1 . . . . 37 Gln HA . 6635 1 399 . 1 1 38 38 GLN HB2 H 1 2.034 0.02 . 1 . . . . 37 Gln HB# . 6635 1 400 . 1 1 38 38 GLN HB3 H 1 2.034 0.02 . 1 . . . . 37 Gln HB# . 6635 1 401 . 1 1 38 38 GLN HG2 H 1 2.339 0.02 . 2 . . . . 37 Gln HG1 . 6635 1 402 . 1 1 38 38 GLN HG3 H 1 2.518 0.02 . 2 . . . . 37 Gln HG2 . 6635 1 403 . 1 1 38 38 GLN C C 13 178.959 0.4 . 1 . . . . 37 Gln CO . 6635 1 404 . 1 1 38 38 GLN CA C 13 59.278 0.4 . 1 . . . . 37 Gln CA . 6635 1 405 . 1 1 38 38 GLN CB C 13 29.142 0.4 . 1 . . . . 37 Gln CB . 6635 1 406 . 1 1 38 38 GLN CG C 13 34.204 0.4 . 1 . . . . 37 Gln CG . 6635 1 407 . 1 1 38 38 GLN N N 15 118.166 0.1 . 1 . . . . 37 Gln N . 6635 1 408 . 1 1 39 39 THR H H 1 8.392 0.02 . 1 . . . . 38 Thr HN . 6635 1 409 . 1 1 39 39 THR HA H 1 3.565 0.02 . 1 . . . . 38 Thr HA . 6635 1 410 . 1 1 39 39 THR HB H 1 4.157 0.02 . 1 . . . . 38 Thr HB . 6635 1 411 . 1 1 39 39 THR HG21 H 1 0.955 0.02 . 1 . . . . 38 Thr HG2# . 6635 1 412 . 1 1 39 39 THR HG22 H 1 0.955 0.02 . 1 . . . . 38 Thr HG2# . 6635 1 413 . 1 1 39 39 THR HG23 H 1 0.955 0.02 . 1 . . . . 38 Thr HG2# . 6635 1 414 . 1 1 39 39 THR CA C 13 67.957 0.4 . 1 . . . . 38 Thr CA . 6635 1 415 . 1 1 39 39 THR CB C 13 67.517 0.4 . 1 . . . . 38 Thr CB . 6635 1 416 . 1 1 39 39 THR CG2 C 13 22.109 0.4 . 1 . . . . 38 Thr CG2 . 6635 1 417 . 1 1 39 39 THR N N 15 118.704 0.1 . 1 . . . . 38 Thr N . 6635 1 418 . 1 1 40 40 LEU H H 1 8.23 0.02 . 1 . . . . 39 Leu HN . 6635 1 419 . 1 1 40 40 LEU HA H 1 3.707 0.02 . 1 . . . . 39 Leu HA . 6635 1 420 . 1 1 40 40 LEU HB2 H 1 1.326 0.02 . 2 . . . . 39 Leu HB1 . 6635 1 421 . 1 1 40 40 LEU HB3 H 1 1.666 0.02 . 2 . . . . 39 Leu HB2 . 6635 1 422 . 1 1 40 40 LEU HG H 1 1.512 0.02 . 1 . . . . 39 Leu HG . 6635 1 423 . 1 1 40 40 LEU HD11 H 1 0.27 0.02 . 2 . . . . 39 Leu HD1# . 6635 1 424 . 1 1 40 40 LEU HD12 H 1 0.27 0.02 . 2 . . . . 39 Leu HD1# . 6635 1 425 . 1 1 40 40 LEU HD13 H 1 0.27 0.02 . 2 . . . . 39 Leu HD1# . 6635 1 426 . 1 1 40 40 LEU HD21 H 1 0.33 0.02 . 2 . . . . 39 Leu HD2# . 6635 1 427 . 1 1 40 40 LEU HD22 H 1 0.33 0.02 . 2 . . . . 39 Leu HD2# . 6635 1 428 . 1 1 40 40 LEU HD23 H 1 0.33 0.02 . 2 . . . . 39 Leu HD2# . 6635 1 429 . 1 1 40 40 LEU C C 13 179.479 0.4 . 1 . . . . 39 Leu CO . 6635 1 430 . 1 1 40 40 LEU CA C 13 58.006 0.4 . 1 . . . . 39 Leu CA . 6635 1 431 . 1 1 40 40 LEU CB C 13 40.992 0.4 . 1 . . . . 39 Leu CB . 6635 1 432 . 1 1 40 40 LEU CG C 13 27.628 0.4 . 1 . . . . 39 Leu CG . 6635 1 433 . 1 1 40 40 LEU CD1 C 13 22.433 0.4 . 2 . . . . 39 Leu CD1 . 6635 1 434 . 1 1 40 40 LEU CD2 C 13 25.113 0.4 . 2 . . . . 39 Leu CD2 . 6635 1 435 . 1 1 40 40 LEU N N 15 120.892 0.1 . 1 . . . . 39 Leu N . 6635 1 436 . 1 1 41 41 CYS H H 1 7.601 0.02 . 1 . . . . 40 Cys HN . 6635 1 437 . 1 1 41 41 CYS HA H 1 4.121 0.02 . 1 . . . . 40 Cys HA . 6635 1 438 . 1 1 41 41 CYS HB2 H 1 2.985 0.02 . 1 . . . . 40 Cys HB# . 6635 1 439 . 1 1 41 41 CYS HB3 H 1 2.985 0.02 . 1 . . . . 40 Cys HB# . 6635 1 440 . 1 1 41 41 CYS C C 13 176.707 0.4 . 1 . . . . 40 Cys CO . 6635 1 441 . 1 1 41 41 CYS CA C 13 62.199 0.4 . 1 . . . . 40 Cys CA . 6635 1 442 . 1 1 41 41 CYS CB C 13 26.571 0.4 . 1 . . . . 40 Cys CB . 6635 1 443 . 1 1 41 41 CYS N N 15 116.129 0.1 . 1 . . . . 40 Cys N . 6635 1 444 . 1 1 42 42 LYS H H 1 7.631 0.02 . 1 . . . . 41 Lys HN . 6635 1 445 . 1 1 42 42 LYS HA H 1 4.159 0.02 . 1 . . . . 41 Lys HA . 6635 1 446 . 1 1 42 42 LYS HB2 H 1 1.840 0.02 . 1 . . . . 41 Lys HB# . 6635 1 447 . 1 1 42 42 LYS HB3 H 1 1.840 0.02 . 1 . . . . 41 Lys HB# . 6635 1 448 . 1 1 42 42 LYS HG2 H 1 1.456 0.02 . 1 . . . . 41 Lys HG# . 6635 1 449 . 1 1 42 42 LYS HG3 H 1 1.456 0.02 . 1 . . . . 41 Lys HG# . 6635 1 450 . 1 1 42 42 LYS HD2 H 1 1.247 0.02 . 1 . . . . 41 Lys HD# . 6635 1 451 . 1 1 42 42 LYS HD3 H 1 1.247 0.02 . 1 . . . . 41 Lys HD# . 6635 1 452 . 1 1 42 42 LYS C C 13 177.843 0.4 . 1 . . . . 41 Lys CO . 6635 1 453 . 1 1 42 42 LYS N N 15 119.791 0.1 . 1 . . . . 41 Lys N . 6635 1 454 . 1 1 43 43 ALA H H 1 7.96 0.02 . 1 . . . . 42 Ala HN . 6635 1 455 . 1 1 43 43 ALA HA H 1 4.392 0.02 . 1 . . . . 42 Ala HA . 6635 1 456 . 1 1 43 43 ALA HB1 H 1 1.275 0.02 . 1 . . . . 42 Ala HB# . 6635 1 457 . 1 1 43 43 ALA HB2 H 1 1.275 0.02 . 1 . . . . 42 Ala HB# . 6635 1 458 . 1 1 43 43 ALA HB3 H 1 1.275 0.02 . 1 . . . . 42 Ala HB# . 6635 1 459 . 1 1 43 43 ALA C C 13 177.883 0.4 . 1 . . . . 42 Ala CO . 6635 1 460 . 1 1 43 43 ALA CA C 13 52.218 0.4 . 1 . . . . 42 Ala CA . 6635 1 461 . 1 1 43 43 ALA CB C 13 18.957 0.4 . 1 . . . . 42 Ala CB . 6635 1 462 . 1 1 43 43 ALA N N 15 122.299 0.1 . 1 . . . . 42 Ala N . 6635 1 463 . 1 1 44 44 LYS H H 1 7.319 0.02 . 1 . . . . 43 Lys HN . 6635 1 464 . 1 1 44 44 LYS HA H 1 3.974 0.02 . 1 . . . . 43 Lys HA . 6635 1 465 . 1 1 44 44 LYS HB2 H 1 1.687 0.02 . 1 . . . . 43 Lys HB# . 6635 1 466 . 1 1 44 44 LYS HB3 H 1 1.687 0.02 . 1 . . . . 43 Lys HB# . 6635 1 467 . 1 1 44 44 LYS HG2 H 1 0.933 0.02 . 2 . . . . 43 Lys HG1 . 6635 1 468 . 1 1 44 44 LYS HG3 H 1 1.068 0.02 . 2 . . . . 43 Lys HG2 . 6635 1 469 . 1 1 44 44 LYS HD2 H 1 1.544 0.02 . 1 . . . . 43 Lys HD# . 6635 1 470 . 1 1 44 44 LYS HD3 H 1 1.544 0.02 . 1 . . . . 43 Lys HD# . 6635 1 471 . 1 1 44 44 LYS HE2 H 1 2.882 0.02 . 1 . . . . 43 Lys HE# . 6635 1 472 . 1 1 44 44 LYS HE3 H 1 2.882 0.02 . 1 . . . . 43 Lys HE# . 6635 1 473 . 1 1 44 44 LYS C C 13 176.446 0.4 . 1 . . . . 43 Lys CO . 6635 1 474 . 1 1 44 44 LYS CA C 13 58.019 0.4 . 1 . . . . 43 Lys CA . 6635 1 475 . 1 1 44 44 LYS CB C 13 32.422 0.4 . 1 . . . . 43 Lys CB . 6635 1 476 . 1 1 44 44 LYS CG C 13 23.895 0.4 . 1 . . . . 43 Lys CG . 6635 1 477 . 1 1 44 44 LYS CD C 13 29.477 0.4 . 1 . . . . 43 Lys CD . 6635 1 478 . 1 1 44 44 LYS CE C 13 41.929 0.4 . 1 . . . . 43 Lys CE . 6635 1 479 . 1 1 44 44 LYS N N 15 118.783 0.1 . 1 . . . . 43 Lys N . 6635 1 480 . 1 1 45 45 TYR H H 1 7.946 0.02 . 1 . . . . 44 Tyr HN . 6635 1 481 . 1 1 45 45 TYR HA H 1 4.542 0.02 . 1 . . . . 44 Tyr HA . 6635 1 482 . 1 1 45 45 TYR HB2 H 1 2.84 0.02 . 2 . . . . 44 Tyr HB1 . 6635 1 483 . 1 1 45 45 TYR HB3 H 1 3.163 0.02 . 2 . . . . 44 Tyr HB2 . 6635 1 484 . 1 1 45 45 TYR HD1 H 1 7.122 0.02 . 1 . . . . 44 Tyr HD# . 6635 1 485 . 1 1 45 45 TYR HD2 H 1 7.122 0.02 . 1 . . . . 44 Tyr HD# . 6635 1 486 . 1 1 45 45 TYR HE1 H 1 6.818 0.02 . 1 . . . . 44 Tyr HE# . 6635 1 487 . 1 1 45 45 TYR HE2 H 1 6.818 0.02 . 1 . . . . 44 Tyr HE# . 6635 1 488 . 1 1 45 45 TYR C C 13 176.357 0.4 . 1 . . . . 44 Tyr CO . 6635 1 489 . 1 1 45 45 TYR CA C 13 58.028 0.4 . 1 . . . . 44 Tyr CA . 6635 1 490 . 1 1 45 45 TYR CB C 13 37.976 0.4 . 1 . . . . 44 Tyr CB . 6635 1 491 . 1 1 45 45 TYR CD1 C 13 133.183 0.4 . 1 . . . . 44 Tyr CD# . 6635 1 492 . 1 1 45 45 TYR CD2 C 13 133.183 0.4 . 1 . . . . 44 Tyr CD# . 6635 1 493 . 1 1 45 45 TYR CE1 C 13 118.28 0.4 . 1 . . . . 44 Tyr CE# . 6635 1 494 . 1 1 45 45 TYR CE2 C 13 118.28 0.4 . 1 . . . . 44 Tyr CE# . 6635 1 495 . 1 1 45 45 TYR N N 15 117.502 0.1 . 1 . . . . 44 Tyr N . 6635 1 496 . 1 1 46 46 SER H H 1 7.901 0.02 . 1 . . . . 45 Ser HN . 6635 1 497 . 1 1 46 46 SER HA H 1 4.363 0.02 . 1 . . . . 45 Ser HA . 6635 1 498 . 1 1 46 46 SER HB2 H 1 3.756 0.02 . 1 . . . . 45 Ser HB# . 6635 1 499 . 1 1 46 46 SER HB3 H 1 3.756 0.02 . 1 . . . . 45 Ser HB# . 6635 1 500 . 1 1 46 46 SER CA C 13 58.478 0.4 . 1 . . . . 45 Ser CA . 6635 1 501 . 1 1 46 46 SER CB C 13 63.605 0.4 . 1 . . . . 45 Ser CB . 6635 1 502 . 1 1 46 46 SER N N 15 116.684 0.1 . 1 . . . . 45 Ser N . 6635 1 503 . 1 1 47 47 TYR HA H 1 4.346 0.02 . 1 . . . . 46 Tyr HA . 6635 1 504 . 1 1 47 47 TYR HB2 H 1 3.081 0.02 . 1 . . . . 46 Tyr HB# . 6635 1 505 . 1 1 47 47 TYR HB3 H 1 3.081 0.02 . 1 . . . . 46 Tyr HB# . 6635 1 506 . 1 1 47 47 TYR HD1 H 1 7.119 0.02 . 1 . . . . 46 Tyr HD# . 6635 1 507 . 1 1 47 47 TYR HD2 H 1 7.119 0.02 . 1 . . . . 46 Tyr HD# . 6635 1 508 . 1 1 47 47 TYR HE1 H 1 6.814 0.02 . 1 . . . . 46 Tyr HE# . 6635 1 509 . 1 1 47 47 TYR HE2 H 1 6.814 0.02 . 1 . . . . 46 Tyr HE# . 6635 1 510 . 1 1 47 47 TYR CA C 13 60.221 0.4 . 1 . . . . 46 Tyr CA . 6635 1 511 . 1 1 47 47 TYR CB C 13 38.129 0.4 . 1 . . . . 46 Tyr CB . 6635 1 512 . 1 1 47 47 TYR CD1 C 13 133.19 0.4 . 1 . . . . 46 Tyr CD# . 6635 1 513 . 1 1 47 47 TYR CD2 C 13 133.19 0.4 . 1 . . . . 46 Tyr CD# . 6635 1 514 . 1 1 47 47 TYR CE1 C 13 118.28 0.4 . 1 . . . . 46 Tyr CE# . 6635 1 515 . 1 1 47 47 TYR CE2 C 13 118.28 0.4 . 1 . . . . 46 Tyr CE# . 6635 1 516 . 1 1 48 48 SER HA H 1 4.25 0.03 . 1 . . . . 47 Ser HA . 6635 1 517 . 1 1 48 48 SER HB2 H 1 3.78 0.03 . 1 . . . . 47 Ser HB# . 6635 1 518 . 1 1 48 48 SER HB3 H 1 3.78 0.03 . 1 . . . . 47 Ser HB# . 6635 1 519 . 1 1 48 48 SER CA C 13 59.60 0.4 . 1 . . . . 47 Ser CA . 6635 1 520 . 1 1 48 48 SER CB C 13 63.60 0.4 . 1 . . . . 47 Ser CB . 6635 1 521 . 1 1 49 49 ILE HA H 1 4.009 0.02 . 1 . . . . 48 Ile HA . 6635 1 522 . 1 1 49 49 ILE HB H 1 1.919 0.02 . 1 . . . . 48 Ile HB . 6635 1 523 . 1 1 49 49 ILE HG12 H 1 1.238 0.02 . 1 . . . . 48 Ile HG1# . 6635 1 524 . 1 1 49 49 ILE HG13 H 1 1.238 0.02 . 1 . . . . 48 Ile HG1# . 6635 1 525 . 1 1 49 49 ILE HG21 H 1 0.84 0.02 . 1 . . . . 48 Ile HG2# . 6635 1 526 . 1 1 49 49 ILE HG22 H 1 0.84 0.02 . 1 . . . . 48 Ile HG2# . 6635 1 527 . 1 1 49 49 ILE HG23 H 1 0.84 0.02 . 1 . . . . 48 Ile HG2# . 6635 1 528 . 1 1 49 49 ILE HD11 H 1 0.653 0.02 . 1 . . . . 48 Ile HD1# . 6635 1 529 . 1 1 49 49 ILE HD12 H 1 0.653 0.02 . 1 . . . . 48 Ile HD1# . 6635 1 530 . 1 1 49 49 ILE HD13 H 1 0.653 0.02 . 1 . . . . 48 Ile HD1# . 6635 1 531 . 1 1 49 49 ILE CA C 13 61.226 0.4 . 1 . . . . 48 Ile CA . 6635 1 532 . 1 1 49 49 ILE CB C 13 37.088 0.4 . 1 . . . . 48 Ile CB . 6635 1 533 . 1 1 49 49 ILE CG1 C 13 27.757 0.4 . 1 . . . . 48 Ile CG1 . 6635 1 534 . 1 1 49 49 ILE CG2 C 13 18.089 0.4 . 1 . . . . 48 Ile CG2 . 6635 1 535 . 1 1 49 49 ILE CD1 C 13 11.353 0.4 . 1 . . . . 48 Ile CD1 . 6635 1 536 . 1 1 50 50 LEU HA H 1 4.188 0.02 . 1 . . . . 49 Leu HA . 6635 1 537 . 1 1 50 50 LEU HB2 H 1 1.465 0.02 . 2 . . . . 49 Leu HB1 . 6635 1 538 . 1 1 50 50 LEU HB3 H 1 1.651 0.02 . 2 . . . . 49 Leu HB2 . 6635 1 539 . 1 1 50 50 LEU HG H 1 1.655 0.02 . 1 . . . . 49 Leu HG . 6635 1 540 . 1 1 50 50 LEU HD11 H 1 0.846 0.02 . 2 . . . . 49 Leu HD1# . 6635 1 541 . 1 1 50 50 LEU HD12 H 1 0.846 0.02 . 2 . . . . 49 Leu HD1# . 6635 1 542 . 1 1 50 50 LEU HD13 H 1 0.846 0.02 . 2 . . . . 49 Leu HD1# . 6635 1 543 . 1 1 50 50 LEU HD21 H 1 0.865 0.02 . 2 . . . . 49 Leu HD2# . 6635 1 544 . 1 1 50 50 LEU HD22 H 1 0.865 0.02 . 2 . . . . 49 Leu HD2# . 6635 1 545 . 1 1 50 50 LEU HD23 H 1 0.865 0.02 . 2 . . . . 49 Leu HD2# . 6635 1 546 . 1 1 50 50 LEU CA C 13 56.543 0.4 . 1 . . . . 49 Leu CA . 6635 1 547 . 1 1 50 50 LEU CB C 13 42.207 0.4 . 1 . . . . 49 Leu CB . 6635 1 548 . 1 1 50 50 LEU CG C 13 27.023 0.4 . 1 . . . . 49 Leu CG . 6635 1 549 . 1 1 50 50 LEU CD1 C 13 25.324 0.4 . 2 . . . . 49 Leu CD1 . 6635 1 550 . 1 1 50 50 LEU CD2 C 13 23.733 0.4 . 2 . . . . 49 Leu CD2 . 6635 1 551 . 1 1 51 51 SER HA H 1 4.24 0.03 . 1 . . . . 50 Ser HA . 6635 1 552 . 1 1 51 51 SER HB2 H 1 3.95 0.03 . 1 . . . . 50 Ser HB# . 6635 1 553 . 1 1 51 51 SER HB3 H 1 3.95 0.03 . 1 . . . . 50 Ser HB# . 6635 1 554 . 1 1 51 51 SER CA C 13 60.1 0.4 . 1 . . . . 50 Ser CA . 6635 1 555 . 1 1 51 51 SER CB C 13 63.0 0.4 . 1 . . . . 50 Ser CB . 6635 1 556 . 1 1 52 52 ASN HA H 1 5.012 0.02 . 1 . . . . 51 Asn HA . 6635 1 557 . 1 1 52 52 ASN HB2 H 1 2.703 0.02 . 2 . . . . 51 Asn HB1 . 6635 1 558 . 1 1 52 52 ASN HB3 H 1 2.792 0.02 . 2 . . . . 51 Asn HB2 . 6635 1 559 . 1 1 52 52 ASN CA C 13 51.594 0.4 . 1 . . . . 51 Asn CA . 6635 1 560 . 1 1 52 52 ASN CB C 13 39.154 0.4 . 1 . . . . 51 Asn CB . 6635 1 561 . 1 1 53 53 PRO HA H 1 4.609 0.02 . 1 . . . . 52 Pro HA . 6635 1 562 . 1 1 53 53 PRO HB2 H 1 2.01 0.02 . 2 . . . . 52 Pro HB1 . 6635 1 563 . 1 1 53 53 PRO HB3 H 1 2.224 0.02 . 2 . . . . 52 Pro HB2 . 6635 1 564 . 1 1 53 53 PRO HG2 H 1 1.85 0.02 . 2 . . . . 52 Pro HG1 . 6635 1 565 . 1 1 53 53 PRO HG3 H 1 1.984 0.02 . 2 . . . . 52 Pro HG2 . 6635 1 566 . 1 1 53 53 PRO HD2 H 1 3.526 0.02 . 2 . . . . 52 Pro HD1 . 6635 1 567 . 1 1 53 53 PRO HD3 H 1 3.666 0.02 . 2 . . . . 52 Pro HD2 . 6635 1 568 . 1 1 53 53 PRO C C 13 176.098 0.4 . 1 . . . . 52 Pro CO . 6635 1 569 . 1 1 53 53 PRO CA C 13 63.332 0.4 . 1 . . . . 52 Pro CA . 6635 1 570 . 1 1 53 53 PRO CB C 13 32.292 0.4 . 1 . . . . 52 Pro CB . 6635 1 571 . 1 1 53 53 PRO CG C 13 26.606 0.4 . 1 . . . . 52 Pro CG . 6635 1 572 . 1 1 53 53 PRO CD C 13 49.921 0.4 . 1 . . . . 52 Pro CD . 6635 1 573 . 1 1 54 54 ASN H H 1 8.598 0.02 . 1 . . . . 53 Asn HN . 6635 1 574 . 1 1 54 54 ASN HA H 1 5.016 0.02 . 1 . . . . 53 Asn HA . 6635 1 575 . 1 1 54 54 ASN HB2 H 1 2.802 0.02 . 2 . . . . 53 Asn HB1 . 6635 1 576 . 1 1 54 54 ASN HB3 H 1 3.107 0.02 . 2 . . . . 53 Asn HB2 . 6635 1 577 . 1 1 54 54 ASN CA C 13 50.618 0.4 . 1 . . . . 53 Asn CA . 6635 1 578 . 1 1 54 54 ASN CB C 13 39.217 0.4 . 1 . . . . 53 Asn CB . 6635 1 579 . 1 1 54 54 ASN N N 15 121.773 0.1 . 1 . . . . 53 AsN N . 6635 1 580 . 1 1 55 55 PRO HA H 1 4.193 0.02 . 1 . . . . 54 Pro HA . 6635 1 581 . 1 1 55 55 PRO HB2 H 1 2.019 0.02 . 2 . . . . 54 Pro HB1 . 6635 1 582 . 1 1 55 55 PRO HG2 H 1 1.965 0.02 . 2 . . . . 54 Pro HG1 . 6635 1 583 . 1 1 55 55 PRO HG3 H 1 2.174 0.02 . 2 . . . . 54 Pro HG2 . 6635 1 584 . 1 1 55 55 PRO HD2 H 1 4.066 0.02 . 2 . . . . 54 Pro HD1 . 6635 1 585 . 1 1 55 55 PRO HD3 H 1 4.147 0.02 . 2 . . . . 54 Pro HD2 . 6635 1 586 . 1 1 55 55 PRO C C 13 178.005 0.4 . 1 . . . . 54 Pro CO . 6635 1 587 . 1 1 55 55 PRO CA C 13 65.419 0.4 . 1 . . . . 54 Pro CA . 6635 1 588 . 1 1 55 55 PRO CB C 13 32.285 0.4 . 1 . . . . 54 Pro CB . 6635 1 589 . 1 1 55 55 PRO CG C 13 27.666 0.4 . 1 . . . . 54 Pro CG . 6635 1 590 . 1 1 55 55 PRO CD C 13 51.067 0.4 . 1 . . . . 54 Pro CD . 6635 1 591 . 1 1 56 56 SER H H 1 7.895 0.02 . 1 . . . . 55 Ser HN . 6635 1 592 . 1 1 56 56 SER HA H 1 4.334 0.02 . 1 . . . . 55 Ser HA . 6635 1 593 . 1 1 56 56 SER HB2 H 1 3.896 0.02 . 1 . . . . 55 Ser HB# . 6635 1 594 . 1 1 56 56 SER HB3 H 1 3.896 0.02 . 1 . . . . 55 Ser HB# . 6635 1 595 . 1 1 56 56 SER C C 13 174.701 0.4 . 1 . . . . 55 Ser CO . 6635 1 596 . 1 1 56 56 SER CA C 13 60.32 0.4 . 1 . . . . 55 Ser CA . 6635 1 597 . 1 1 56 56 SER CB C 13 62.849 0.4 . 1 . . . . 55 Ser CB . 6635 1 598 . 1 1 56 56 SER N N 15 111.064 0.1 . 1 . . . . 55 Ser N . 6635 1 599 . 1 1 57 57 ASP H H 1 7.959 0.02 . 1 . . . . 56 Asp HN . 6635 1 600 . 1 1 57 57 ASP HA H 1 4.738 0.02 . 1 . . . . 56 Asp HA . 6635 1 601 . 1 1 57 57 ASP HB2 H 1 2.534 0.02 . 2 . . . . 56 Asp HB1 . 6635 1 602 . 1 1 57 57 ASP HB3 H 1 2.773 0.02 . 2 . . . . 56 Asp HB2 . 6635 1 603 . 1 1 57 57 ASP C C 13 175.34 0.4 . 1 . . . . 56 Asp CO . 6635 1 604 . 1 1 57 57 ASP CA C 13 54.918 0.4 . 1 . . . . 56 Asp CA . 6635 1 605 . 1 1 57 57 ASP CB C 13 40.678 0.4 . 1 . . . . 56 Asp CB . 6635 1 606 . 1 1 57 57 ASP N N 15 119.702 0.1 . 1 . . . . 56 Asp N . 6635 1 607 . 1 1 58 58 TYR H H 1 7.814 0.02 . 1 . . . . 57 Tyr HN . 6635 1 608 . 1 1 58 58 TYR HA H 1 5.198 0.02 . 1 . . . . 57 Tyr HA . 6635 1 609 . 1 1 58 58 TYR HB2 H 1 2.94 0.02 . 1 . . . . 57 Tyr HB# . 6635 1 610 . 1 1 58 58 TYR HB3 H 1 2.94 0.02 . 1 . . . . 57 Tyr HB# . 6635 1 611 . 1 1 58 58 TYR HD1 H 1 6.988 0.02 . 1 . . . . 57 Tyr HD# . 6635 1 612 . 1 1 58 58 TYR HD2 H 1 6.988 0.02 . 1 . . . . 57 Tyr HD# . 6635 1 613 . 1 1 58 58 TYR HE1 H 1 6.683 0.02 . 1 . . . . 57 Tyr HE# . 6635 1 614 . 1 1 58 58 TYR HE2 H 1 6.683 0.02 . 1 . . . . 57 Tyr HE# . 6635 1 615 . 1 1 58 58 TYR C C 13 174.652 0.4 . 1 . . . . 57 Tyr CO . 6635 1 616 . 1 1 58 58 TYR CA C 13 58.283 0.4 . 1 . . . . 57 Tyr CA . 6635 1 617 . 1 1 58 58 TYR CB C 13 43.354 0.4 . 1 . . . . 57 Tyr CB . 6635 1 618 . 1 1 58 58 TYR CD1 C 13 133.512 0.4 . 1 . . . . 57 Tyr CD# . 6635 1 619 . 1 1 58 58 TYR CD2 C 13 133.512 0.4 . 1 . . . . 57 Tyr CD# . 6635 1 620 . 1 1 58 58 TYR CE1 C 13 118.301 0.4 . 1 . . . . 57 Tyr CE# . 6635 1 621 . 1 1 58 58 TYR CE2 C 13 118.301 0.4 . 1 . . . . 57 Tyr CE# . 6635 1 622 . 1 1 58 58 TYR N N 15 119.812 0.1 . 1 . . . . 57 Tyr N . 6635 1 623 . 1 1 59 59 VAL H H 1 9.279 0.02 . 1 . . . . 58 Val HN . 6635 1 624 . 1 1 59 59 VAL HA H 1 4.579 0.02 . 1 . . . . 58 Val HA . 6635 1 625 . 1 1 59 59 VAL HB H 1 2.243 0.02 . 1 . . . . 58 Val HB . 6635 1 626 . 1 1 59 59 VAL HG11 H 1 0.698 0.02 . 2 . . . . 58 Val HG1# . 6635 1 627 . 1 1 59 59 VAL HG12 H 1 0.698 0.02 . 2 . . . . 58 Val HG1# . 6635 1 628 . 1 1 59 59 VAL HG13 H 1 0.698 0.02 . 2 . . . . 58 Val HG1# . 6635 1 629 . 1 1 59 59 VAL HG21 H 1 0.889 0.02 . 2 . . . . 58 Val HG2# . 6635 1 630 . 1 1 59 59 VAL HG22 H 1 0.889 0.02 . 2 . . . . 58 Val HG2# . 6635 1 631 . 1 1 59 59 VAL HG23 H 1 0.889 0.02 . 2 . . . . 58 Val HG2# . 6635 1 632 . 1 1 59 59 VAL C C 13 173.946 0.4 . 1 . . . . 58 Val CO . 6635 1 633 . 1 1 59 59 VAL CA C 13 59.274 0.4 . 1 . . . . 58 Val CA . 6635 1 634 . 1 1 59 59 VAL CB C 13 35.708 0.4 . 1 . . . . 58 Val CB . 6635 1 635 . 1 1 59 59 VAL CG1 C 13 19.214 0.4 . 2 . . . . 58 Val CG1 . 6635 1 636 . 1 1 59 59 VAL CG2 C 13 22.928 0.4 . 2 . . . . 58 Val CG2 . 6635 1 637 . 1 1 59 59 VAL N N 15 112.141 0.1 . 1 . . . . 58 Val N . 6635 1 638 . 1 1 60 60 LEU H H 1 9.308 0.02 . 1 . . . . 59 Leu HN . 6635 1 639 . 1 1 60 60 LEU HA H 1 5.128 0.02 . 1 . . . . 59 Leu HA . 6635 1 640 . 1 1 60 60 LEU HB2 H 1 1.483 0.02 . 1 . . . . 59 Leu HB# . 6635 1 641 . 1 1 60 60 LEU HB3 H 1 1.483 0.02 . 1 . . . . 59 Leu HB# . 6635 1 642 . 1 1 60 60 LEU HD11 H 1 0.625 0.02 . 2 . . . . 59 Leu HD1# . 6635 1 643 . 1 1 60 60 LEU HD12 H 1 0.625 0.02 . 2 . . . . 59 Leu HD1# . 6635 1 644 . 1 1 60 60 LEU HD13 H 1 0.625 0.02 . 2 . . . . 59 Leu HD1# . 6635 1 645 . 1 1 60 60 LEU HD21 H 1 0.663 0.02 . 2 . . . . 59 Leu HD2# . 6635 1 646 . 1 1 60 60 LEU HD22 H 1 0.663 0.02 . 2 . . . . 59 Leu HD2# . 6635 1 647 . 1 1 60 60 LEU HD23 H 1 0.663 0.02 . 2 . . . . 59 Leu HD2# . 6635 1 648 . 1 1 60 60 LEU C C 13 174.862 0.4 . 1 . . . . 59 Leu CO . 6635 1 649 . 1 1 60 60 LEU CA C 13 53.11 0.4 . 1 . . . . 59 Leu CA . 6635 1 650 . 1 1 60 60 LEU CB C 13 44.529 0.4 . 1 . . . . 59 Leu CB . 6635 1 651 . 1 1 60 60 LEU CD1 C 13 25.039 0.4 . 2 . . . . 59 Leu CD1 . 6635 1 652 . 1 1 60 60 LEU CD2 C 13 25.259 0.4 . 2 . . . . 59 Leu CD2 . 6635 1 653 . 1 1 60 60 LEU N N 15 121.33 0.1 . 1 . . . . 59 Leu N . 6635 1 654 . 1 1 61 61 LEU H H 1 9.427 0.02 . 1 . . . . 60 Leu HN . 6635 1 655 . 1 1 61 61 LEU HA H 1 5.193 0.02 . 1 . . . . 60 Leu HA . 6635 1 656 . 1 1 61 61 LEU HB2 H 1 1.399 0.02 . 2 . . . . 60 Leu HB1 . 6635 1 657 . 1 1 61 61 LEU HB3 H 1 1.617 0.02 . 2 . . . . 60 Leu HB2 . 6635 1 658 . 1 1 61 61 LEU HG H 1 1.543 0.02 . 1 . . . . 60 Leu HG . 6635 1 659 . 1 1 61 61 LEU HD11 H 1 0.735 0.02 . 2 . . . . 60 Leu HD1# . 6635 1 660 . 1 1 61 61 LEU HD12 H 1 0.735 0.02 . 2 . . . . 60 Leu HD1# . 6635 1 661 . 1 1 61 61 LEU HD13 H 1 0.735 0.02 . 2 . . . . 60 Leu HD1# . 6635 1 662 . 1 1 61 61 LEU HD21 H 1 0.762 0.02 . 2 . . . . 60 Leu HD2# . 6635 1 663 . 1 1 61 61 LEU HD22 H 1 0.762 0.02 . 2 . . . . 60 Leu HD2# . 6635 1 664 . 1 1 61 61 LEU HD23 H 1 0.762 0.02 . 2 . . . . 60 Leu HD2# . 6635 1 665 . 1 1 61 61 LEU C C 13 176.429 0.4 . 1 . . . . 60 Leu CO . 6635 1 666 . 1 1 61 61 LEU CA C 13 53.342 0.4 . 1 . . . . 60 Leu CA . 6635 1 667 . 1 1 61 61 LEU CB C 13 45.439 0.4 . 1 . . . . 60 Leu CB . 6635 1 668 . 1 1 61 61 LEU CG C 13 27.572 0.4 . 1 . . . . 60 Leu CG . 6635 1 669 . 1 1 61 61 LEU CD1 C 13 26.58 0.4 . 2 . . . . 60 Leu CD1 . 6635 1 670 . 1 1 61 61 LEU CD2 C 13 26.077 0.4 . 2 . . . . 60 Leu CD2 . 6635 1 671 . 1 1 61 61 LEU N N 15 124.357 0.1 . 1 . . . . 60 Leu N . 6635 1 672 . 1 1 62 62 GLU H H 1 9.261 0.02 . 1 . . . . 61 Glu HN . 6635 1 673 . 1 1 62 62 GLU HA H 1 5.456 0.02 . 1 . . . . 61 Glu HA . 6635 1 674 . 1 1 62 62 GLU HB2 H 1 1.92 0.02 . 2 . . . . 61 Glu HB1 . 6635 1 675 . 1 1 62 62 GLU HB3 H 1 2.308 0.02 . 2 . . . . 61 Glu HB2 . 6635 1 676 . 1 1 62 62 GLU HG2 H 1 2.099 0.02 . 2 . . . . 61 Glu HG1 . 6635 1 677 . 1 1 62 62 GLU HG3 H 1 2.162 0.02 . 2 . . . . 61 Glu HG2 . 6635 1 678 . 1 1 62 62 GLU C C 13 175.121 0.4 . 1 . . . . 61 Glu CO . 6635 1 679 . 1 1 62 62 GLU CA C 13 53.773 0.4 . 1 . . . . 61 Glu CA . 6635 1 680 . 1 1 62 62 GLU CB C 13 33.059 0.4 . 1 . . . . 61 Glu CB . 6635 1 681 . 1 1 62 62 GLU CG C 13 37.086 0.4 . 1 . . . . 61 Glu CG . 6635 1 682 . 1 1 62 62 GLU N N 15 122.427 0.1 . 1 . . . . 61 Glu N . 6635 1 683 . 1 1 63 63 GLU H H 1 8.694 0.02 . 1 . . . . 62 Glu HN . 6635 1 684 . 1 1 63 63 GLU HA H 1 5.133 0.02 . 1 . . . . 62 Glu HA . 6635 1 685 . 1 1 63 63 GLU HB2 H 1 1.577 0.02 . 2 . . . . 62 Glu HB1 . 6635 1 686 . 1 1 63 63 GLU HB3 H 1 1.702 0.02 . 2 . . . . 62 Glu HB2 . 6635 1 687 . 1 1 63 63 GLU HG2 H 1 1.737 0.02 . 2 . . . . 62 Glu HG1 . 6635 1 688 . 1 1 63 63 GLU HG3 H 1 1.944 0.02 . 2 . . . . 62 Glu HG2 . 6635 1 689 . 1 1 63 63 GLU C C 13 175.182 0.4 . 1 . . . . 62 Glu CO . 6635 1 690 . 1 1 63 63 GLU CA C 13 54.513 0.4 . 1 . . . . 62 Glu CA . 6635 1 691 . 1 1 63 63 GLU CB C 13 33.327 0.4 . 1 . . . . 62 Glu CB . 6635 1 692 . 1 1 63 63 GLU CG C 13 37.258 0.4 . 1 . . . . 62 Glu CG . 6635 1 693 . 1 1 63 63 GLU N N 15 127.185 0.1 . 1 . . . . 62 Glu N . 6635 1 694 . 1 1 64 64 VAL H H 1 8.269 0.02 . 1 . . . . 63 Val HN . 6635 1 695 . 1 1 64 64 VAL HA H 1 4.28 0.02 . 1 . . . . 63 Val HA . 6635 1 696 . 1 1 64 64 VAL HB H 1 1.613 0.02 . 1 . . . . 63 Val HB . 6635 1 697 . 1 1 64 64 VAL HG11 H 1 0.184 0.02 . 2 . . . . 63 Val HG1# . 6635 1 698 . 1 1 64 64 VAL HG12 H 1 0.184 0.02 . 2 . . . . 63 Val HG1# . 6635 1 699 . 1 1 64 64 VAL HG13 H 1 0.184 0.02 . 2 . . . . 63 Val HG1# . 6635 1 700 . 1 1 64 64 VAL HG21 H 1 0.373 0.02 . 2 . . . . 63 Val HG2# . 6635 1 701 . 1 1 64 64 VAL HG22 H 1 0.373 0.02 . 2 . . . . 63 Val HG2# . 6635 1 702 . 1 1 64 64 VAL HG23 H 1 0.373 0.02 . 2 . . . . 63 Val HG2# . 6635 1 703 . 1 1 64 64 VAL C C 13 175.231 0.4 . 1 . . . . 63 Val CO . 6635 1 704 . 1 1 64 64 VAL CA C 13 60.2 0.4 . 1 . . . . 63 Val CA . 6635 1 705 . 1 1 64 64 VAL CB C 13 34.673 0.4 . 1 . . . . 63 Val CB . 6635 1 706 . 1 1 64 64 VAL CG1 C 13 19.96 0.4 . 2 . . . . 63 Val CG1 . 6635 1 707 . 1 1 64 64 VAL CG2 C 13 20.762 0.4 . 2 . . . . 63 Val CG2 . 6635 1 708 . 1 1 64 64 VAL N N 15 124.697 0.1 . 1 . . . . 63 Val N . 6635 1 709 . 1 1 65 65 VAL H H 1 8.161 0.02 . 1 . . . . 64 Val HN . 6635 1 710 . 1 1 65 65 VAL HA H 1 4.119 0.02 . 1 . . . . 64 Val HA . 6635 1 711 . 1 1 65 65 VAL HB H 1 1.915 0.02 . 1 . . . . 64 Val HB . 6635 1 712 . 1 1 65 65 VAL HG11 H 1 0.793 0.02 . 1 . . . . 64 Val HG1# . 6635 1 713 . 1 1 65 65 VAL HG12 H 1 0.793 0.02 . 1 . . . . 64 Val HG1# . 6635 1 714 . 1 1 65 65 VAL HG13 H 1 0.793 0.02 . 1 . . . . 64 Val HG1# . 6635 1 715 . 1 1 65 65 VAL HG21 H 1 0.793 0.02 . 1 . . . . 64 Val HG2# . 6635 1 716 . 1 1 65 65 VAL HG22 H 1 0.793 0.02 . 1 . . . . 64 Val HG2# . 6635 1 717 . 1 1 65 65 VAL HG23 H 1 0.793 0.02 . 1 . . . . 64 Val HG2# . 6635 1 718 . 1 1 65 65 VAL C C 13 175.873 0.4 . 1 . . . . 64 Val CO . 6635 1 719 . 1 1 65 65 VAL CA C 13 62.003 0.4 . 1 . . . . 64 Val CA . 6635 1 720 . 1 1 65 65 VAL CB C 13 32.618 0.4 . 1 . . . . 64 Val CB . 6635 1 721 . 1 1 65 65 VAL N N 15 126.767 0.1 . 1 . . . . 64 Val N . 6635 1 722 . 1 1 66 66 LYS H H 1 8.449 0.02 . 1 . . . . 65 Lys HN . 6635 1 723 . 1 1 66 66 LYS HA H 1 4.291 0.02 . 1 . . . . 65 Lys HA . 6635 1 724 . 1 1 66 66 LYS HB2 H 1 1.660 0.02 . 2 . . . . 65 Lys HB1 . 6635 1 725 . 1 1 66 66 LYS HB3 H 1 1.735 0.02 . 2 . . . . 65 Lys HB2 . 6635 1 726 . 1 1 66 66 LYS HG2 H 1 1.325 0.02 . 1 . . . . 65 Lys HG# . 6635 1 727 . 1 1 66 66 LYS HG3 H 1 1.325 0.02 . 1 . . . . 65 Lys HG# . 6635 1 728 . 1 1 66 66 LYS C C 13 176.03 0.4 . 1 . . . . 65 Lys CO . 6635 1 729 . 1 1 66 66 LYS N N 15 127.269 0.1 . 1 . . . . 65 Lys N . 6635 1 730 . 1 1 67 67 ASP H H 1 8.328 0.02 . 1 . . . . 66 Asp HN . 6635 1 731 . 1 1 67 67 ASP HA H 1 4.666 0.02 . 1 . . . . 66 Asp HA . 6635 1 732 . 1 1 67 67 ASP HB2 H 1 2.602 0.02 . 2 . . . . 66 Asp HB1 . 6635 1 733 . 1 1 67 67 ASP HB3 H 1 2.689 0.02 . 2 . . . . 66 Asp HB2 . 6635 1 734 . 1 1 67 67 ASP C C 13 176.595 0.4 . 1 . . . . 66 Asp CO . 6635 1 735 . 1 1 67 67 ASP CA C 13 54.215 0.4 . 1 . . . . 66 Asp CA . 6635 1 736 . 1 1 67 67 ASP CB C 13 41.718 0.4 . 1 . . . . 66 Asp CB . 6635 1 737 . 1 1 67 67 ASP N N 15 121.917 0.1 . 1 . . . . 66 Asp N . 6635 1 738 . 1 1 68 68 THR H H 1 8.245 0.02 . 1 . . . . 67 Thr HN . 6635 1 739 . 1 1 68 68 THR HA H 1 4.401 0.02 . 1 . . . . 67 Thr HA . 6635 1 740 . 1 1 68 68 THR HB H 1 4.276 0.02 . 1 . . . . 67 Thr HB . 6635 1 741 . 1 1 68 68 THR HG21 H 1 1.136 0.02 . 1 . . . . 67 Thr HG2# . 6635 1 742 . 1 1 68 68 THR HG22 H 1 1.136 0.02 . 1 . . . . 67 Thr HG2# . 6635 1 743 . 1 1 68 68 THR HG23 H 1 1.136 0.02 . 1 . . . . 67 Thr HG2# . 6635 1 744 . 1 1 68 68 THR CA C 13 61.431 0.4 . 1 . . . . 67 Thr CA . 6635 1 745 . 1 1 68 68 THR N N 15 114.838 0.1 . 1 . . . . 67 Thr N . 6635 1 746 . 1 1 69 69 THR H H 1 8.275 0.02 . 1 . . . . 68 Thr HN . 6635 1 747 . 1 1 69 69 THR HA H 1 4.294 0.02 . 1 . . . . 68 Thr HA . 6635 1 748 . 1 1 69 69 THR CA C 13 62.558 0.4 . 1 . . . . 68 Thr CA . 6635 1 749 . 1 1 69 69 THR N N 15 115.923 0.1 . 1 . . . . 68 Thr N . 6635 1 750 . 1 1 70 70 ASN H H 1 8.393 0.02 . 1 . . . . 69 Asn HN . 6635 1 751 . 1 1 70 70 ASN HA H 1 4.664 0.02 . 1 . . . . 69 Asn HA . 6635 1 752 . 1 1 70 70 ASN HB2 H 1 2.794 0.02 . 2 . . . . 69 Asn HB1 . 6635 1 753 . 1 1 70 70 ASN HB3 H 1 2.883 0.02 . 2 . . . . 69 Asn HB2 . 6635 1 754 . 1 1 70 70 ASN CA C 13 53.291 0.4 . 1 . . . . 69 Asn CA . 6635 1 755 . 1 1 70 70 ASN CB C 13 38.567 0.4 . 1 . . . . 69 Asn CB . 6635 1 756 . 1 1 70 70 ASN N N 15 120.302 0.1 . 1 . . . . 69 AsN N . 6635 1 757 . 1 1 71 71 LYS H H 1 8.224 0.02 . 1 . . . . 70 Lys HN . 6635 1 758 . 1 1 71 71 LYS N N 15 121.036 0.1 . 1 . . . . 70 Lys N . 6635 1 759 . 1 1 73 73 THR HA H 1 4.449 0.02 . 1 . . . . 72 Thr HA . 6635 1 760 . 1 1 73 73 THR CA C 13 61.335 0.4 . 1 . . . . 72 Thr CA . 6635 1 761 . 1 1 74 74 THR H H 1 7.987 0.02 . 1 . . . . 73 Thr HN . 6635 1 762 . 1 1 74 74 THR HA H 1 4.384 0.02 . 1 . . . . 73 Thr HA . 6635 1 763 . 1 1 74 74 THR HG21 H 1 1.129 0.02 . 1 . . . . 73 Thr HG2# . 6635 1 764 . 1 1 74 74 THR HG22 H 1 1.129 0.02 . 1 . . . . 73 Thr HG2# . 6635 1 765 . 1 1 74 74 THR HG23 H 1 1.129 0.02 . 1 . . . . 73 Thr HG2# . 6635 1 766 . 1 1 74 74 THR C C 13 174.618 0.4 . 1 . . . . 73 Thr CO . 6635 1 767 . 1 1 74 74 THR CA C 13 61.765 0.4 . 1 . . . . 73 Thr CA . 6635 1 768 . 1 1 74 74 THR N N 15 116.517 0.1 . 1 . . . . 73 Thr N . 6635 1 769 . 1 1 75 75 THR H H 1 8.063 0.02 . 1 . . . . 74 Thr HN . 6635 1 770 . 1 1 75 75 THR HA H 1 4.584 0.02 . 1 . . . . 74 Thr HA . 6635 1 771 . 1 1 75 75 THR HB H 1 4.097 0.02 . 1 . . . . 74 Thr HB . 6635 1 772 . 1 1 75 75 THR HG21 H 1 1.149 0.02 . 1 . . . . 74 Thr HG2# . 6635 1 773 . 1 1 75 75 THR HG22 H 1 1.149 0.02 . 1 . . . . 74 Thr HG2# . 6635 1 774 . 1 1 75 75 THR HG23 H 1 1.149 0.02 . 1 . . . . 74 Thr HG2# . 6635 1 775 . 1 1 75 75 THR CA C 13 59.586 0.4 . 1 . . . . 74 Thr CA . 6635 1 776 . 1 1 75 75 THR CB C 13 69.727 0.4 . 1 . . . . 74 Thr CB . 6635 1 777 . 1 1 75 75 THR N N 15 118.415 0.1 . 1 . . . . 74 Thr N . 6635 1 778 . 1 1 76 76 PRO HA H 1 4.41 0.02 . 1 . . . . 75 Pro HA . 6635 1 779 . 1 1 76 76 PRO HB2 H 1 1.9 0.02 . 2 . . . . 75 Pro HB1 . 6635 1 780 . 1 1 76 76 PRO HB3 H 1 2.252 0.02 . 2 . . . . 75 Pro HB2 . 6635 1 781 . 1 1 76 76 PRO HG2 H 1 1.994 0.02 . 1 . . . . 75 Pro HG# . 6635 1 782 . 1 1 76 76 PRO HG3 H 1 1.994 0.02 . 1 . . . . 75 Pro HG# . 6635 1 783 . 1 1 76 76 PRO HD2 H 1 3.659 0.02 . 2 . . . . 75 Pro HD1 . 6635 1 784 . 1 1 76 76 PRO HD3 H 1 3.799 0.02 . 2 . . . . 75 Pro HD2 . 6635 1 785 . 1 1 76 76 PRO C C 13 176.79 0.4 . 1 . . . . 75 Pro CO . 6635 1 786 . 1 1 76 76 PRO CA C 13 63.156 0.4 . 1 . . . . 75 Pro CA . 6635 1 787 . 1 1 76 76 PRO CB C 13 32.301 0.4 . 1 . . . . 75 Pro CB . 6635 1 788 . 1 1 76 76 PRO CG C 13 27.432 0.4 . 1 . . . . 75 Pro CG . 6635 1 789 . 1 1 76 76 PRO CD C 13 51.089 0.4 . 1 . . . . 75 Pro CD . 6635 1 790 . 1 1 77 77 LYS H H 1 8.475 0.02 . 1 . . . . 76 Lys HN . 6635 1 791 . 1 1 77 77 LYS HA H 1 4.316 0.03 . 1 . . . . 76 Lys HA . 6635 1 792 . 1 1 77 77 LYS HB2 H 1 1.798 0.03 . 2 . . . . 76 Lys HB1 . 6635 1 793 . 1 1 77 77 LYS HB3 H 1 2.010 0.03 . 2 . . . . 76 Lys HB2 . 6635 1 794 . 1 1 77 77 LYS HG2 H 1 1.422 0.03 . 1 . . . . 76 Lys HG# . 6635 1 795 . 1 1 77 77 LYS HG3 H 1 1.422 0.03 . 1 . . . . 76 Lys HG# . 6635 1 796 . 1 1 77 77 LYS C C 13 176.1 0.4 . 1 . . . . 76 Lys CO . 6635 1 797 . 1 1 77 77 LYS N N 15 122.311 0.1 . 1 . . . . 76 Lys N . 6635 1 798 . 1 1 78 78 SER H H 1 8.241 0.02 . 1 . . . . 77 Ser HN . 6635 1 799 . 1 1 78 78 SER HA H 1 4.911 0.02 . 1 . . . . 77 Ser HA . 6635 1 800 . 1 1 78 78 SER HB2 H 1 3.615 0.02 . 2 . . . . 77 Ser HB1 . 6635 1 801 . 1 1 78 78 SER HB3 H 1 3.635 0.02 . 2 . . . . 77 Ser HB2 . 6635 1 802 . 1 1 78 78 SER C C 13 173.934 0.4 . 1 . . . . 77 Ser CO . 6635 1 803 . 1 1 78 78 SER CA C 13 57.179 0.4 . 1 . . . . 77 Ser CA . 6635 1 804 . 1 1 78 78 SER CB C 13 65.003 0.4 . 1 . . . . 77 Ser CB . 6635 1 805 . 1 1 78 78 SER N N 15 116.513 0.1 . 1 . . . . 77 Ser N . 6635 1 806 . 1 1 79 79 SER H H 1 8.59 0.02 . 1 . . . . 78 Ser HN . 6635 1 807 . 1 1 79 79 SER HA H 1 4.673 0.02 . 1 . . . . 78 Ser HA . 6635 1 808 . 1 1 79 79 SER HB2 H 1 3.765 0.02 . 1 . . . . 78 Ser HB# . 6635 1 809 . 1 1 79 79 SER HB3 H 1 3.765 0.02 . 1 . . . . 78 Ser HB# . 6635 1 810 . 1 1 79 79 SER C C 13 173.445 0.4 . 1 . . . . 78 Ser CO . 6635 1 811 . 1 1 79 79 SER CA C 13 57.409 0.4 . 1 . . . . 78 Ser CA . 6635 1 812 . 1 1 79 79 SER CB C 13 65.113 0.4 . 1 . . . . 78 Ser CB . 6635 1 813 . 1 1 79 79 SER N N 15 117.149 0.1 . 1 . . . . 78 Ser N . 6635 1 814 . 1 1 80 80 GLN H H 1 8.458 0.02 . 1 . . . . 79 Gln HN . 6635 1 815 . 1 1 80 80 GLN HA H 1 5.592 0.02 . 1 . . . . 79 Gln HA . 6635 1 816 . 1 1 80 80 GLN HB2 H 1 1.803 0.02 . 2 . . . . 79 Gln HB1 . 6635 1 817 . 1 1 80 80 GLN HB3 H 1 1.972 0.02 . 2 . . . . 79 Gln HB2 . 6635 1 818 . 1 1 80 80 GLN HG2 H 1 2.077 0.02 . 2 . . . . 79 Gln HG1 . 6635 1 819 . 1 1 80 80 GLN HG3 H 1 2.366 0.02 . 2 . . . . 79 Gln HG2 . 6635 1 820 . 1 1 80 80 GLN CA C 13 54.268 0.4 . 1 . . . . 79 Gln CA . 6635 1 821 . 1 1 80 80 GLN CB C 13 32.324 0.4 . 1 . . . . 79 Gln CB . 6635 1 822 . 1 1 80 80 GLN CG C 13 34.064 0.4 . 1 . . . . 79 Gln CG . 6635 1 823 . 1 1 80 80 GLN N N 15 121.498 0.1 . 1 . . . . 79 Gln N . 6635 1 824 . 1 1 81 81 ARG H H 1 8.769 0.02 . 1 . . . . 80 Arg HN . 6635 1 825 . 1 1 81 81 ARG HA H 1 4.669 0.02 . 1 . . . . 80 Arg HA . 6635 1 826 . 1 1 81 81 ARG HB2 H 1 1.771 0.02 . 2 . . . . 80 Arg HB1 . 6635 1 827 . 1 1 81 81 ARG HB3 H 1 1.965 0.02 . 2 . . . . 80 Arg HB2 . 6635 1 828 . 1 1 81 81 ARG HG2 H 1 1.51 0.02 . 1 . . . . 80 Arg HG# . 6635 1 829 . 1 1 81 81 ARG HG3 H 1 1.51 0.02 . 1 . . . . 80 Arg HG# . 6635 1 830 . 1 1 81 81 ARG HD2 H 1 3.008 0.02 . 2 . . . . 80 Arg HD1 . 6635 1 831 . 1 1 81 81 ARG HD3 H 1 3.352 0.02 . 2 . . . . 80 Arg HD2 . 6635 1 832 . 1 1 81 81 ARG C C 13 173.929 0.4 . 1 . . . . 80 Arg CO . 6635 1 833 . 1 1 81 81 ARG CA C 13 55.092 0.4 . 1 . . . . 80 Arg CA . 6635 1 834 . 1 1 81 81 ARG CB C 13 34.086 0.4 . 1 . . . . 80 Arg CB . 6635 1 835 . 1 1 81 81 ARG CG C 13 27.768 0.4 . 1 . . . . 80 Arg CG . 6635 1 836 . 1 1 81 81 ARG CD C 13 43.114 0.4 . 1 . . . . 80 Arg CD . 6635 1 837 . 1 1 81 81 ARG N N 15 122.509 0.1 . 1 . . . . 80 Arg N . 6635 1 838 . 1 1 82 82 VAL H H 1 8.697 0.02 . 1 . . . . 81 Val HN . 6635 1 839 . 1 1 82 82 VAL HA H 1 4.252 0.02 . 1 . . . . 81 Val HA . 6635 1 840 . 1 1 82 82 VAL HB H 1 1.963 0.02 . 1 . . . . 81 Val HB . 6635 1 841 . 1 1 82 82 VAL HG11 H 1 0.952 0.02 . 2 . . . . 81 Val HG1# . 6635 1 842 . 1 1 82 82 VAL HG12 H 1 0.952 0.02 . 2 . . . . 81 Val HG1# . 6635 1 843 . 1 1 82 82 VAL HG13 H 1 0.952 0.02 . 2 . . . . 81 Val HG1# . 6635 1 844 . 1 1 82 82 VAL HG21 H 1 0.945 0.02 . 2 . . . . 81 Val HG2# . 6635 1 845 . 1 1 82 82 VAL HG22 H 1 0.945 0.02 . 2 . . . . 81 Val HG2# . 6635 1 846 . 1 1 82 82 VAL HG23 H 1 0.945 0.02 . 2 . . . . 81 Val HG2# . 6635 1 847 . 1 1 82 82 VAL C C 13 176.19 0.4 . 1 . . . . 81 Val CO . 6635 1 848 . 1 1 82 82 VAL CA C 13 62.501 0.4 . 1 . . . . 81 Val CA . 6635 1 849 . 1 1 82 82 VAL CB C 13 32.558 0.4 . 1 . . . . 81 Val CB . 6635 1 850 . 1 1 82 82 VAL CG1 C 13 21.919 0.4 . 2 . . . . 81 Val CG1 . 6635 1 851 . 1 1 82 82 VAL CG2 C 13 21.432 0.4 . 2 . . . . 81 Val CG2 . 6635 1 852 . 1 1 82 82 VAL N N 15 126.114 0.1 . 1 . . . . 81 Val N . 6635 1 853 . 1 1 83 83 LEU H H 1 8.835 0.02 . 1 . . . . 82 Leu HN . 6635 1 854 . 1 1 83 83 LEU HA H 1 4.327 0.02 . 1 . . . . 82 Leu HA . 6635 1 855 . 1 1 83 83 LEU HB2 H 1 1.654 0.02 . 1 . . . . 82 Leu HB# . 6635 1 856 . 1 1 83 83 LEU HB3 H 1 1.654 0.02 . 1 . . . . 82 Leu HB# . 6635 1 857 . 1 1 83 83 LEU HG H 1 1.838 0.02 . 1 . . . . 82 Leu HG . 6635 1 858 . 1 1 83 83 LEU HD11 H 1 0.79 0.02 . 2 . . . . 82 Leu HD1# . 6635 1 859 . 1 1 83 83 LEU HD12 H 1 0.79 0.02 . 2 . . . . 82 Leu HD1# . 6635 1 860 . 1 1 83 83 LEU HD13 H 1 0.79 0.02 . 2 . . . . 82 Leu HD1# . 6635 1 861 . 1 1 83 83 LEU HD21 H 1 1.008 0.02 . 2 . . . . 82 Leu HD2# . 6635 1 862 . 1 1 83 83 LEU HD22 H 1 1.008 0.02 . 2 . . . . 82 Leu HD2# . 6635 1 863 . 1 1 83 83 LEU HD23 H 1 1.008 0.02 . 2 . . . . 82 Leu HD2# . 6635 1 864 . 1 1 83 83 LEU C C 13 178.557 0.4 . 1 . . . . 82 Leu CO . 6635 1 865 . 1 1 83 83 LEU CA C 13 57.278 0.4 . 1 . . . . 82 Leu CA . 6635 1 866 . 1 1 83 83 LEU CB C 13 41.082 0.4 . 1 . . . . 82 Leu CB . 6635 1 867 . 1 1 83 83 LEU CG C 13 31.629 0.4 . 1 . . . . 82 Leu CG . 6635 1 868 . 1 1 83 83 LEU CD1 C 13 26.739 0.4 . 2 . . . . 82 Leu CD1 . 6635 1 869 . 1 1 83 83 LEU CD2 C 13 24.944 0.4 . 2 . . . . 82 Leu CD2 . 6635 1 870 . 1 1 83 83 LEU N N 15 130.859 0.1 . 1 . . . . 82 Leu N . 6635 1 871 . 1 1 84 84 LEU H H 1 8.776 0.02 . 1 . . . . 83 Leu HN . 6635 1 872 . 1 1 84 84 LEU HA H 1 4.363 0.02 . 1 . . . . 83 Leu HA . 6635 1 873 . 1 1 84 84 LEU HB2 H 1 1.779 0.02 . 1 . . . . 83 Leu HB# . 6635 1 874 . 1 1 84 84 LEU HB3 H 1 1.779 0.02 . 1 . . . . 83 Leu HB# . 6635 1 875 . 1 1 84 84 LEU HG H 1 1.898 0.02 . 1 . . . . 83 Leu HG . 6635 1 876 . 1 1 84 84 LEU HD11 H 1 0.944 0.02 . 2 . . . . 83 Leu HD1# . 6635 1 877 . 1 1 84 84 LEU HD12 H 1 0.944 0.02 . 2 . . . . 83 Leu HD1# . 6635 1 878 . 1 1 84 84 LEU HD13 H 1 0.944 0.02 . 2 . . . . 83 Leu HD1# . 6635 1 879 . 1 1 84 84 LEU HD21 H 1 0.978 0.02 . 2 . . . . 83 Leu HD2# . 6635 1 880 . 1 1 84 84 LEU HD22 H 1 0.978 0.02 . 2 . . . . 83 Leu HD2# . 6635 1 881 . 1 1 84 84 LEU HD23 H 1 0.978 0.02 . 2 . . . . 83 Leu HD2# . 6635 1 882 . 1 1 84 84 LEU C C 13 178.405 0.4 . 1 . . . . 83 Leu CO . 6635 1 883 . 1 1 84 84 LEU CA C 13 54.98 0.4 . 1 . . . . 83 Leu CA . 6635 1 884 . 1 1 84 84 LEU CB C 13 41.352 0.4 . 1 . . . . 83 Leu CB . 6635 1 885 . 1 1 84 84 LEU CG C 13 27.752 0.4 . 1 . . . . 83 Leu CG . 6635 1 886 . 1 1 84 84 LEU CD1 C 13 22.81 0.4 . 2 . . . . 83 Leu CD1 . 6635 1 887 . 1 1 84 84 LEU CD2 C 13 25.26 0.4 . 2 . . . . 83 Leu CD2 . 6635 1 888 . 1 1 84 84 LEU N N 15 123.009 0.1 . 1 . . . . 83 Leu N . 6635 1 889 . 1 1 85 85 ASP H H 1 8.28 0.02 . 1 . . . . 84 Asp HN . 6635 1 890 . 1 1 85 85 ASP HA H 1 4.227 0.02 . 1 . . . . 84 Asp HA . 6635 1 891 . 1 1 85 85 ASP HB2 H 1 2.66 0.02 . 1 . . . . 84 Asp HB# . 6635 1 892 . 1 1 85 85 ASP HB3 H 1 2.66 0.02 . 1 . . . . 84 Asp HB# . 6635 1 893 . 1 1 85 85 ASP C C 13 176.931 0.4 . 1 . . . . 84 Asp CO . 6635 1 894 . 1 1 85 85 ASP CA C 13 58.164 0.4 . 1 . . . . 84 Asp CA . 6635 1 895 . 1 1 85 85 ASP CB C 13 40.935 0.4 . 1 . . . . 84 Asp CB . 6635 1 896 . 1 1 85 85 ASP N N 15 120.405 0.1 . 1 . . . . 84 Asp N . 6635 1 897 . 1 1 86 86 GLN H H 1 7.906 0.02 . 1 . . . . 85 Gln HN . 6635 1 898 . 1 1 86 86 GLN HA H 1 4.523 0.02 . 1 . . . . 85 Gln HA . 6635 1 899 . 1 1 86 86 GLN HB2 H 1 1.947 0.02 . 2 . . . . 85 Gln HB1 . 6635 1 900 . 1 1 86 86 GLN HB3 H 1 2.41 0.02 . 2 . . . . 85 Gln HB2 . 6635 1 901 . 1 1 86 86 GLN HG2 H 1 2.405 0.02 . 1 . . . . 85 Gln HG# . 6635 1 902 . 1 1 86 86 GLN HG3 H 1 2.405 0.02 . 1 . . . . 85 Gln HG# . 6635 1 903 . 1 1 86 86 GLN C C 13 175.605 0.4 . 1 . . . . 85 Gln CO . 6635 1 904 . 1 1 86 86 GLN CA C 13 54.551 0.4 . 1 . . . . 85 Gln CA . 6635 1 905 . 1 1 86 86 GLN CB C 13 28.085 0.4 . 1 . . . . 85 Gln CB . 6635 1 906 . 1 1 86 86 GLN CG C 13 34.003 0.4 . 1 . . . . 85 Gln CG . 6635 1 907 . 1 1 86 86 GLN N N 15 109.972 0.1 . 1 . . . . 85 Gln N . 6635 1 908 . 1 1 87 87 GLU H H 1 7.842 0.02 . 1 . . . . 86 Glu HN . 6635 1 909 . 1 1 87 87 GLU HA H 1 4.100 0.03 . 1 . . . . 86 Glu HA . 6635 1 910 . 1 1 87 87 GLU HB2 H 1 1.993 0.03 . 2 . . . . 86 Glu HB1 . 6635 1 911 . 1 1 87 87 GLU HB3 H 1 2.186 0.03 . 2 . . . . 86 Glu HB2 . 6635 1 912 . 1 1 87 87 GLU C C 13 175.782 0.4 . 1 . . . . 86 Glu CO . 6635 1 913 . 1 1 87 87 GLU N N 15 122.581 0.1 . 1 . . . . 86 Glu N . 6635 1 914 . 1 1 88 88 CYS H H 1 8.831 0.02 . 1 . . . . 87 Cys HN . 6635 1 915 . 1 1 88 88 CYS HA H 1 4.525 0.02 . 1 . . . . 87 Cys HA . 6635 1 916 . 1 1 88 88 CYS HB2 H 1 2.716 0.02 . 2 . . . . 87 Cys HB1 . 6635 1 917 . 1 1 88 88 CYS HB3 H 1 3.21 0.02 . 2 . . . . 87 Cys HB2 . 6635 1 918 . 1 1 88 88 CYS C C 13 176.182 0.4 . 1 . . . . 87 Cys CO . 6635 1 919 . 1 1 88 88 CYS CA C 13 58.468 0.4 . 1 . . . . 87 Cys CA . 6635 1 920 . 1 1 88 88 CYS CB C 13 26.951 0.4 . 1 . . . . 87 Cys CB . 6635 1 921 . 1 1 88 88 CYS N N 15 124.002 0.1 . 1 . . . . 87 Cys N . 6635 1 922 . 1 1 89 89 VAL HA H 1 3.272 0.02 . 1 . . . . 88 Val HA . 6635 1 923 . 1 1 89 89 VAL HB H 1 1.881 0.02 . 1 . . . . 88 Val HB . 6635 1 924 . 1 1 89 89 VAL HG11 H 1 0.526 0.02 . 2 . . . . 88 Val HG1# . 6635 1 925 . 1 1 89 89 VAL HG12 H 1 0.526 0.02 . 2 . . . . 88 Val HG1# . 6635 1 926 . 1 1 89 89 VAL HG13 H 1 0.526 0.02 . 2 . . . . 88 Val HG1# . 6635 1 927 . 1 1 89 89 VAL HG21 H 1 0.638 0.02 . 2 . . . . 88 Val HG2# . 6635 1 928 . 1 1 89 89 VAL HG22 H 1 0.638 0.02 . 2 . . . . 88 Val HG2# . 6635 1 929 . 1 1 89 89 VAL HG23 H 1 0.638 0.02 . 2 . . . . 88 Val HG2# . 6635 1 930 . 1 1 89 89 VAL C C 13 176.376 0.4 . 1 . . . . 88 Val CO . 6635 1 931 . 1 1 89 89 VAL CA C 13 67.492 0.4 . 1 . . . . 88 Val CA . 6635 1 932 . 1 1 89 89 VAL CB C 13 31.119 0.4 . 1 . . . . 88 Val CB . 6635 1 933 . 1 1 89 89 VAL CG1 C 13 22.278 0.4 . 2 . . . . 88 Val CG1 . 6635 1 934 . 1 1 89 89 VAL CG2 C 13 22.666 0.4 . 2 . . . . 88 Val CG2 . 6635 1 935 . 1 1 90 90 PHE H H 1 10.292 0.02 . 1 . . . . 89 Phe HN . 6635 1 936 . 1 1 90 90 PHE HA H 1 3.396 0.02 . 1 . . . . 89 Phe HA . 6635 1 937 . 1 1 90 90 PHE HB2 H 1 2.046 0.02 . 2 . . . . 89 Phe HB1 . 6635 1 938 . 1 1 90 90 PHE HB3 H 1 2.568 0.02 . 2 . . . . 89 Phe HB2 . 6635 1 939 . 1 1 90 90 PHE HD1 H 1 6.222 0.02 . 1 . . . . 89 Phe HD# . 6635 1 940 . 1 1 90 90 PHE HD2 H 1 6.222 0.02 . 1 . . . . 89 Phe HD# . 6635 1 941 . 1 1 90 90 PHE HE1 H 1 7.103 0.02 . 1 . . . . 89 Phe HE# . 6635 1 942 . 1 1 90 90 PHE HE2 H 1 7.103 0.02 . 1 . . . . 89 Phe HE# . 6635 1 943 . 1 1 90 90 PHE C C 13 178.209 0.4 . 1 . . . . 89 Phe CO . 6635 1 944 . 1 1 90 90 PHE CA C 13 61.715 0.4 . 1 . . . . 89 Phe CA . 6635 1 945 . 1 1 90 90 PHE CB C 13 39.747 0.4 . 1 . . . . 89 Phe CB . 6635 1 946 . 1 1 90 90 PHE CD1 C 13 131.345 0.4 . 1 . . . . 89 Phe CD# . 6635 1 947 . 1 1 90 90 PHE CD2 C 13 131.345 0.4 . 1 . . . . 89 Phe CD# . 6635 1 948 . 1 1 90 90 PHE CE1 C 13 131.27 0.4 . 1 . . . . 89 Phe CE# . 6635 1 949 . 1 1 90 90 PHE CE2 C 13 131.27 0.4 . 1 . . . . 89 Phe CE# . 6635 1 950 . 1 1 90 90 PHE N N 15 123.018 0.1 . 1 . . . . 89 Phe N . 6635 1 951 . 1 1 91 91 GLN H H 1 7.073 0.02 . 1 . . . . 90 Gln HN . 6635 1 952 . 1 1 91 91 GLN HA H 1 3.698 0.02 . 1 . . . . 90 Gln HA . 6635 1 953 . 1 1 91 91 GLN HB2 H 1 1.995 0.02 . 2 . . . . 90 Gln HB1 . 6635 1 954 . 1 1 91 91 GLN HB3 H 1 2.134 0.02 . 2 . . . . 90 Gln HB2 . 6635 1 955 . 1 1 91 91 GLN HG2 H 1 2.38 0.02 . 2 . . . . 90 Gln HG1 . 6635 1 956 . 1 1 91 91 GLN HG3 H 1 2.484 0.02 . 2 . . . . 90 Gln HG2 . 6635 1 957 . 1 1 91 91 GLN C C 13 178.151 0.4 . 1 . . . . 90 Gln CO . 6635 1 958 . 1 1 91 91 GLN CA C 13 58.004 0.4 . 1 . . . . 90 Gln CA . 6635 1 959 . 1 1 91 91 GLN CB C 13 28.126 0.4 . 1 . . . . 90 Gln CB . 6635 1 960 . 1 1 91 91 GLN CG C 13 33.968 0.4 . 1 . . . . 90 Gln CG . 6635 1 961 . 1 1 91 91 GLN N N 15 117.966 0.1 . 1 . . . . 90 Gln N . 6635 1 962 . 1 1 92 92 ALA H H 1 7.707 0.02 . 1 . . . . 91 Ala HN . 6635 1 963 . 1 1 92 92 ALA HA H 1 4.026 0.02 . 1 . . . . 91 Ala HA . 6635 1 964 . 1 1 92 92 ALA HB1 H 1 1.731 0.02 . 1 . . . . 91 Ala HB# . 6635 1 965 . 1 1 92 92 ALA HB2 H 1 1.731 0.02 . 1 . . . . 91 Ala HB# . 6635 1 966 . 1 1 92 92 ALA HB3 H 1 1.731 0.02 . 1 . . . . 91 Ala HB# . 6635 1 967 . 1 1 92 92 ALA C C 13 180.266 0.4 . 1 . . . . 91 Ala CO . 6635 1 968 . 1 1 92 92 ALA CA C 13 55.649 0.4 . 1 . . . . 91 Ala CA . 6635 1 969 . 1 1 92 92 ALA CB C 13 17.07 0.4 . 1 . . . . 91 Ala CB . 6635 1 970 . 1 1 92 92 ALA N N 15 123.376 0.1 . 1 . . . . 91 Ala N . 6635 1 971 . 1 1 93 93 GLN H H 1 8.142 0.02 . 1 . . . . 92 Gln HN . 6635 1 972 . 1 1 93 93 GLN HA H 1 1.642 0.02 . 1 . . . . 92 Gln HA . 6635 1 973 . 1 1 93 93 GLN HB2 H 1 1.5 0.02 . 1 . . . . 92 Gln HB# . 6635 1 974 . 1 1 93 93 GLN HB3 H 1 1.5 0.02 . 1 . . . . 92 Gln HB# . 6635 1 975 . 1 1 93 93 GLN HG2 H 1 0.899 0.02 . 2 . . . . 92 Gln HG1 . 6635 1 976 . 1 1 93 93 GLN HG3 H 1 1.54 0.02 . 2 . . . . 92 Gln HG2 . 6635 1 977 . 1 1 93 93 GLN C C 13 178.349 0.4 . 1 . . . . 92 Gln CO . 6635 1 978 . 1 1 93 93 GLN CA C 13 57.258 0.4 . 1 . . . . 92 Gln CA . 6635 1 979 . 1 1 93 93 GLN CB C 13 28.254 0.4 . 1 . . . . 92 Gln CB . 6635 1 980 . 1 1 93 93 GLN CG C 13 33.003 0.4 . 1 . . . . 92 Gln CG . 6635 1 981 . 1 1 93 93 GLN N N 15 117.639 0.1 . 1 . . . . 92 Gln N . 6635 1 982 . 1 1 94 94 SER H H 1 7.485 0.02 . 1 . . . . 93 Ser HN . 6635 1 983 . 1 1 94 94 SER HA H 1 3.858 0.02 . 1 . . . . 93 Ser HA . 6635 1 984 . 1 1 94 94 SER HB2 H 1 3.398 0.02 . 2 . . . . 93 Ser HB1 . 6635 1 985 . 1 1 94 94 SER HB3 H 1 3.622 0.02 . 2 . . . . 93 Ser HB2 . 6635 1 986 . 1 1 94 94 SER C C 13 174.751 0.4 . 1 . . . . 93 Ser CO . 6635 1 987 . 1 1 94 94 SER CA C 13 60.757 0.4 . 1 . . . . 93 Ser CA . 6635 1 988 . 1 1 94 94 SER CB C 13 62.669 0.4 . 1 . . . . 93 Ser CB . 6635 1 989 . 1 1 94 94 SER N N 15 114.721 0.1 . 1 . . . . 93 Ser N . 6635 1 990 . 1 1 95 95 LYS H H 1 6.989 0.02 . 1 . . . . 94 Lys HN . 6635 1 991 . 1 1 95 95 LYS HA H 1 4.248 0.03 . 1 . . . . 94 Lys HA . 6635 1 992 . 1 1 95 95 LYS HB2 H 1 1.687 0.03 . 2 . . . . 94 Lys HB1 . 6635 1 993 . 1 1 95 95 LYS HB3 H 1 1.994 0.03 . 2 . . . . 94 Lys HB2 . 6635 1 994 . 1 1 95 95 LYS HG2 H 1 1.444 0.03 . 2 . . . . 94 Lys HG1 . 6635 1 995 . 1 1 95 95 LYS HG3 H 1 1.490 0.03 . 2 . . . . 94 Lys HG2 . 6635 1 996 . 1 1 95 95 LYS C C 13 177.218 0.4 . 1 . . . . 94 Lys CO . 6635 1 997 . 1 1 95 95 LYS N N 15 118.95 0.1 . 1 . . . . 94 Lys N . 6635 1 998 . 1 1 96 96 TRP H H 1 7.285 0.02 . 1 . . . . 95 Trp HN . 6635 1 999 . 1 1 96 96 TRP HA H 1 4.586 0.02 . 1 . . . . 95 Trp HA . 6635 1 1000 . 1 1 96 96 TRP HB2 H 1 3.119 0.02 . 2 . . . . 95 Trp HB1 . 6635 1 1001 . 1 1 96 96 TRP HB3 H 1 3.35 0.02 . 2 . . . . 95 Trp HB2 . 6635 1 1002 . 1 1 96 96 TRP HD1 H 1 6.803 0.02 . 1 . . . . 95 Trp HD1 . 6635 1 1003 . 1 1 96 96 TRP HE1 H 1 9.829 0.02 . 1 . . . . 95 Trp HE1 . 6635 1 1004 . 1 1 96 96 TRP HE3 H 1 7.568 0.02 . 1 . . . . 95 Trp HE3 . 6635 1 1005 . 1 1 96 96 TRP HZ2 H 1 5.537 0.02 . 1 . . . . 95 Trp HZ2 . 6635 1 1006 . 1 1 96 96 TRP HZ3 H 1 6.458 0.02 . 1 . . . . 95 Trp HZ3 . 6635 1 1007 . 1 1 96 96 TRP HH2 H 1 6.963 0.02 . 1 . . . . 95 Trp HH2 . 6635 1 1008 . 1 1 96 96 TRP CA C 13 56.622 0.4 . 1 . . . . 95 Trp CA . 6635 1 1009 . 1 1 96 96 TRP CB C 13 29.685 0.4 . 1 . . . . 95 Trp CB . 6635 1 1010 . 1 1 96 96 TRP CD1 C 13 124.87 0.4 . 1 . . . . 95 Trp CD1 . 6635 1 1011 . 1 1 96 96 TRP CE3 C 13 120.331 0.4 . 1 . . . . 95 Trp CE3 . 6635 1 1012 . 1 1 96 96 TRP CZ2 C 13 114.447 0.4 . 1 . . . . 95 Trp CZ2 . 6635 1 1013 . 1 1 96 96 TRP CZ3 C 13 124.344 0.4 . 1 . . . . 95 Trp CZ3 . 6635 1 1014 . 1 1 96 96 TRP CH2 C 13 121.67 0.4 . 1 . . . . 95 Trp CH2 . 6635 1 1015 . 1 1 96 96 TRP N N 15 121.037 0.1 . 1 . . . . 95 Trp N . 6635 1 1016 . 1 1 96 96 TRP NE1 N 15 127.817 0.1 . 1 . . . . 95 Trp NE1 . 6635 1 1017 . 1 1 97 97 LYS H H 1 8.752 0.02 . 1 . . . . 96 Lys HN . 6635 1 1018 . 1 1 97 97 LYS HA H 1 4.462 0.02 . 1 . . . . 96 Lys HA . 6635 1 1019 . 1 1 97 97 LYS HB2 H 1 1.726 0.02 . 2 . . . . 96 Lys HB1 . 6635 1 1020 . 1 1 97 97 LYS HB3 H 1 1.958 0.02 . 2 . . . . 96 Lys HB2 . 6635 1 1021 . 1 1 97 97 LYS HG2 H 1 1.47 0.02 . 2 . . . . 96 Lys HG1 . 6635 1 1022 . 1 1 97 97 LYS HG3 H 1 1.564 0.02 . 2 . . . . 96 Lys HG2 . 6635 1 1023 . 1 1 97 97 LYS HD2 H 1 1.725 0.02 . 1 . . . . 96 Lys HD# . 6635 1 1024 . 1 1 97 97 LYS HD3 H 1 1.725 0.02 . 1 . . . . 96 Lys HD# . 6635 1 1025 . 1 1 97 97 LYS HE2 H 1 3.033 0.02 . 1 . . . . 96 Lys HE# . 6635 1 1026 . 1 1 97 97 LYS HE3 H 1 3.033 0.02 . 1 . . . . 96 Lys HE# . 6635 1 1027 . 1 1 97 97 LYS C C 13 175.964 0.4 . 1 . . . . 96 Lys CO . 6635 1 1028 . 1 1 97 97 LYS CA C 13 55.398 0.4 . 1 . . . . 96 Lys CA . 6635 1 1029 . 1 1 97 97 LYS CB C 13 31.682 0.4 . 1 . . . . 96 Lys CB . 6635 1 1030 . 1 1 97 97 LYS CG C 13 24.803 0.4 . 1 . . . . 96 Lys CG . 6635 1 1031 . 1 1 97 97 LYS CD C 13 28.826 0.4 . 1 . . . . 96 Lys CD . 6635 1 1032 . 1 1 97 97 LYS CE C 13 42.049 0.4 . 1 . . . . 96 Lys CE . 6635 1 1033 . 1 1 97 97 LYS N N 15 123.563 0.1 . 1 . . . . 96 Lys N . 6635 1 1034 . 1 1 98 98 GLY H H 1 7.415 0.02 . 1 . . . . 97 Gly HN . 6635 1 1035 . 1 1 98 98 GLY HA2 H 1 3.971 0.02 . 1 . . . . 97 Gly HA# . 6635 1 1036 . 1 1 98 98 GLY HA3 H 1 3.971 0.02 . 1 . . . . 97 Gly HA# . 6635 1 1037 . 1 1 98 98 GLY C C 13 172.433 0.4 . 1 . . . . 97 Gly CO . 6635 1 1038 . 1 1 98 98 GLY CA C 13 44.241 0.4 . 1 . . . . 97 Gly CA . 6635 1 1039 . 1 1 98 98 GLY N N 15 108.179 0.1 . 1 . . . . 97 Gly N . 6635 1 1040 . 1 1 99 99 ALA H H 1 8.115 0.02 . 1 . . . . 98 Ala HN . 6635 1 1041 . 1 1 99 99 ALA HA H 1 4.384 0.02 . 1 . . . . 98 Ala HA . 6635 1 1042 . 1 1 99 99 ALA HB1 H 1 1.276 0.02 . 1 . . . . 98 Ala HB# . 6635 1 1043 . 1 1 99 99 ALA HB2 H 1 1.276 0.02 . 1 . . . . 98 Ala HB# . 6635 1 1044 . 1 1 99 99 ALA HB3 H 1 1.276 0.02 . 1 . . . . 98 Ala HB# . 6635 1 1045 . 1 1 99 99 ALA C C 13 176.985 0.4 . 1 . . . . 98 Ala CO . 6635 1 1046 . 1 1 99 99 ALA CA C 13 52.118 0.4 . 1 . . . . 98 Ala CA . 6635 1 1047 . 1 1 99 99 ALA CB C 13 19.119 0.4 . 1 . . . . 98 Ala CB . 6635 1 1048 . 1 1 99 99 ALA N N 15 124.76 0.1 . 1 . . . . 98 Ala N . 6635 1 1049 . 1 1 100 100 GLY H H 1 7.61 0.02 . 1 . . . . 99 Gly HN . 6635 1 1050 . 1 1 100 100 GLY HA2 H 1 1.179 0.02 . 2 . . . . 99 Gly HA1 . 6635 1 1051 . 1 1 100 100 GLY HA3 H 1 4.349 0.02 . 2 . . . . 99 Gly HA2 . 6635 1 1052 . 1 1 100 100 GLY C C 13 172.5 0.4 . 1 . . . . 99 Gly CO . 6635 1 1053 . 1 1 100 100 GLY CA C 13 43.309 0.4 . 1 . . . . 99 Gly CA . 6635 1 1054 . 1 1 100 100 GLY N N 15 110.951 0.1 . 1 . . . . 99 Gly N . 6635 1 1055 . 1 1 101 101 LYS H H 1 7.493 0.02 . 1 . . . . 100 Lys HN . 6635 1 1056 . 1 1 101 101 LYS HA H 1 4.547 0.02 . 1 . . . . 100 Lys HA . 6635 1 1057 . 1 1 101 101 LYS HB2 H 1 1.266 0.02 . 2 . . . . 100 Lys HB1 . 6635 1 1058 . 1 1 101 101 LYS HB3 H 1 1.449 0.02 . 2 . . . . 100 Lys HB2 . 6635 1 1059 . 1 1 101 101 LYS HG2 H 1 1.011 0.02 . 1 . . . . 100 Lys HG# . 6635 1 1060 . 1 1 101 101 LYS HG3 H 1 1.011 0.02 . 1 . . . . 100 Lys HG# . 6635 1 1061 . 1 1 101 101 LYS HD2 H 1 0.867 0.02 . 1 . . . . 100 Lys HD# . 6635 1 1062 . 1 1 101 101 LYS HD3 H 1 0.867 0.02 . 1 . . . . 100 Lys HD# . 6635 1 1063 . 1 1 101 101 LYS HE2 H 1 2.27 0.02 . 2 . . . . 100 Lys HE1 . 6635 1 1064 . 1 1 101 101 LYS HE3 H 1 2.392 0.02 . 2 . . . . 100 Lys HE2 . 6635 1 1065 . 1 1 101 101 LYS C C 13 174.075 0.4 . 1 . . . . 100 Lys CO . 6635 1 1066 . 1 1 101 101 LYS CA C 13 54.828 0.4 . 1 . . . . 100 Lys CA . 6635 1 1067 . 1 1 101 101 LYS CB C 13 35.978 0.4 . 1 . . . . 100 Lys CB . 6635 1 1068 . 1 1 101 101 LYS CG C 13 23.591 0.4 . 1 . . . . 100 Lys CG . 6635 1 1069 . 1 1 101 101 LYS CD C 13 28.94 0.4 . 1 . . . . 100 Lys CD . 6635 1 1070 . 1 1 101 101 LYS CE C 13 41.168 0.4 . 1 . . . . 100 Lys CE . 6635 1 1071 . 1 1 101 101 LYS N N 15 115.895 0.1 . 1 . . . . 100 Lys N . 6635 1 1072 . 1 1 102 102 PHE H H 1 8.799 0.02 . 1 . . . . 101 Phe HN . 6635 1 1073 . 1 1 102 102 PHE HA H 1 6.022 0.02 . 1 . . . . 101 Phe HA . 6635 1 1074 . 1 1 102 102 PHE HB2 H 1 3.098 0.02 . 2 . . . . 101 Phe HB1 . 6635 1 1075 . 1 1 102 102 PHE HB3 H 1 3.352 0.02 . 2 . . . . 101 Phe HB2 . 6635 1 1076 . 1 1 102 102 PHE HD1 H 1 7.451 0.02 . 1 . . . . 101 Phe HD# . 6635 1 1077 . 1 1 102 102 PHE HD2 H 1 7.451 0.02 . 1 . . . . 101 Phe HD# . 6635 1 1078 . 1 1 102 102 PHE HE1 H 1 7.543 0.02 . 1 . . . . 101 Phe HE# . 6635 1 1079 . 1 1 102 102 PHE HE2 H 1 7.543 0.02 . 1 . . . . 101 Phe HE# . 6635 1 1080 . 1 1 102 102 PHE HZ H 1 7.148 0.02 . 1 . . . . 101 Phe HZ . 6635 1 1081 . 1 1 102 102 PHE C C 13 175.927 0.4 . 1 . . . . 101 Phe CO . 6635 1 1082 . 1 1 102 102 PHE CA C 13 56.749 0.4 . 1 . . . . 101 Phe CA . 6635 1 1083 . 1 1 102 102 PHE CB C 13 41.386 0.4 . 1 . . . . 101 Phe CB . 6635 1 1084 . 1 1 102 102 PHE CD1 C 13 131.934 0.4 . 1 . . . . 101 Phe CD# . 6635 1 1085 . 1 1 102 102 PHE CD2 C 13 131.934 0.4 . 1 . . . . 101 Phe CD# . 6635 1 1086 . 1 1 102 102 PHE CE1 C 13 132.094 0.4 . 1 . . . . 101 Phe CE# . 6635 1 1087 . 1 1 102 102 PHE CE2 C 13 132.094 0.4 . 1 . . . . 101 Phe CE# . 6635 1 1088 . 1 1 102 102 PHE CZ C 13 130.494 0.4 . 1 . . . . 101 Phe CZ . 6635 1 1089 . 1 1 102 102 PHE N N 15 118.352 0.1 . 1 . . . . 101 Phe N . 6635 1 1090 . 1 1 103 103 ILE H H 1 9.644 0.02 . 1 . . . . 102 Ile HN . 6635 1 1091 . 1 1 103 103 ILE HA H 1 4.619 0.02 . 1 . . . . 102 Ile HA . 6635 1 1092 . 1 1 103 103 ILE HB H 1 1.642 0.02 . 1 . . . . 102 Ile HB . 6635 1 1093 . 1 1 103 103 ILE HG12 H 1 0.892 0.02 . 2 . . . . 102 Ile HG11 . 6635 1 1094 . 1 1 103 103 ILE HG13 H 1 1.338 0.02 . 2 . . . . 102 Ile HG12 . 6635 1 1095 . 1 1 103 103 ILE HG21 H 1 0.94 0.02 . 1 . . . . 102 Ile HG2# . 6635 1 1096 . 1 1 103 103 ILE HG22 H 1 0.94 0.02 . 1 . . . . 102 Ile HG2# . 6635 1 1097 . 1 1 103 103 ILE HG23 H 1 0.94 0.02 . 1 . . . . 102 Ile HG2# . 6635 1 1098 . 1 1 103 103 ILE HD11 H 1 0.695 0.02 . 1 . . . . 102 Ile HD1# . 6635 1 1099 . 1 1 103 103 ILE HD12 H 1 0.695 0.02 . 1 . . . . 102 Ile HD1# . 6635 1 1100 . 1 1 103 103 ILE HD13 H 1 0.695 0.02 . 1 . . . . 102 Ile HD1# . 6635 1 1101 . 1 1 103 103 ILE C C 13 174.838 0.4 . 1 . . . . 102 Ile CO . 6635 1 1102 . 1 1 103 103 ILE CA C 13 60.193 0.4 . 1 . . . . 102 Ile CA . 6635 1 1103 . 1 1 103 103 ILE CB C 13 43.021 0.4 . 1 . . . . 102 Ile CB . 6635 1 1104 . 1 1 103 103 ILE CG1 C 13 28.032 0.4 . 1 . . . . 102 Ile CG1 . 6635 1 1105 . 1 1 103 103 ILE CG2 C 13 18.55 0.4 . 1 . . . . 102 Ile CG2 . 6635 1 1106 . 1 1 103 103 ILE CD1 C 13 15.029 0.4 . 1 . . . . 102 Ile CD1 . 6635 1 1107 . 1 1 103 103 ILE N N 15 123.792 0.1 . 1 . . . . 102 Ile N . 6635 1 1108 . 1 1 104 104 LEU H H 1 8.02 0.02 . 1 . . . . 103 Leu HN . 6635 1 1109 . 1 1 104 104 LEU HA H 1 4.932 0.02 . 1 . . . . 103 Leu HA . 6635 1 1110 . 1 1 104 104 LEU HB2 H 1 1.029 0.02 . 2 . . . . 103 Leu HB1 . 6635 1 1111 . 1 1 104 104 LEU HB3 H 1 1.807 0.02 . 2 . . . . 103 Leu HB2 . 6635 1 1112 . 1 1 104 104 LEU HD11 H 1 0.623 0.02 . 2 . . . . 103 Leu HD1# . 6635 1 1113 . 1 1 104 104 LEU HD12 H 1 0.623 0.02 . 2 . . . . 103 Leu HD1# . 6635 1 1114 . 1 1 104 104 LEU HD13 H 1 0.623 0.02 . 2 . . . . 103 Leu HD1# . 6635 1 1115 . 1 1 104 104 LEU HD21 H 1 0.792 0.02 . 2 . . . . 103 Leu HD2# . 6635 1 1116 . 1 1 104 104 LEU HD22 H 1 0.792 0.02 . 2 . . . . 103 Leu HD2# . 6635 1 1117 . 1 1 104 104 LEU HD23 H 1 0.792 0.02 . 2 . . . . 103 Leu HD2# . 6635 1 1118 . 1 1 104 104 LEU C C 13 175.694 0.4 . 1 . . . . 103 Leu CO . 6635 1 1119 . 1 1 104 104 LEU CA C 13 54.621 0.4 . 1 . . . . 103 Leu CA . 6635 1 1120 . 1 1 104 104 LEU CB C 13 43.827 0.4 . 1 . . . . 103 Leu CB . 6635 1 1121 . 1 1 104 104 LEU CD1 C 13 27.334 0.4 . 2 . . . . 103 Leu CD1 . 6635 1 1122 . 1 1 104 104 LEU CD2 C 13 25.851 0.4 . 2 . . . . 103 Leu CD2 . 6635 1 1123 . 1 1 104 104 LEU N N 15 128.5 0.1 . 1 . . . . 103 Leu N . 6635 1 1124 . 1 1 105 105 LYS H H 1 8.957 0.02 . 1 . . . . 104 Lys HN . 6635 1 1125 . 1 1 105 105 LYS HA H 1 4.82 0.02 . 1 . . . . 104 Lys HA . 6635 1 1126 . 1 1 105 105 LYS HB2 H 1 1.451 0.02 . 2 . . . . 104 Lys HB1 . 6635 1 1127 . 1 1 105 105 LYS HB3 H 1 1.708 0.02 . 2 . . . . 104 Lys HB2 . 6635 1 1128 . 1 1 105 105 LYS HG2 H 1 1.402 0.02 . 1 . . . . 104 Lys HG# . 6635 1 1129 . 1 1 105 105 LYS HG3 H 1 1.402 0.02 . 1 . . . . 104 Lys HG# . 6635 1 1130 . 1 1 105 105 LYS HD2 H 1 1.62 0.02 . 1 . . . . 104 Lys HD# . 6635 1 1131 . 1 1 105 105 LYS HD3 H 1 1.62 0.02 . 1 . . . . 104 Lys HD# . 6635 1 1132 . 1 1 105 105 LYS HE2 H 1 2.818 0.02 . 2 . . . . 104 Lys HE1 . 6635 1 1133 . 1 1 105 105 LYS HE3 H 1 2.907 0.02 . 2 . . . . 104 Lys HE2 . 6635 1 1134 . 1 1 105 105 LYS C C 13 175.18 0.4 . 1 . . . . 104 Lys CO . 6635 1 1135 . 1 1 105 105 LYS CA C 13 54.156 0.4 . 1 . . . . 104 Lys CA . 6635 1 1136 . 1 1 105 105 LYS CB C 13 37.238 0.4 . 1 . . . . 104 Lys CB . 6635 1 1137 . 1 1 105 105 LYS CG C 13 24.744 0.4 . 1 . . . . 104 Lys CG . 6635 1 1138 . 1 1 105 105 LYS CD C 13 29.101 0.4 . 1 . . . . 104 Lys CD . 6635 1 1139 . 1 1 105 105 LYS CE C 13 41.769 0.4 . 1 . . . . 104 Lys CE . 6635 1 1140 . 1 1 105 105 LYS N N 15 126.996 0.1 . 1 . . . . 104 Lys N . 6635 1 1141 . 1 1 106 106 LEU H H 1 8.519 0.02 . 1 . . . . 105 Leu HN . 6635 1 1142 . 1 1 106 106 LEU HA H 1 4.167 0.02 . 1 . . . . 105 Leu HA . 6635 1 1143 . 1 1 106 106 LEU HB2 H 1 1.396 0.02 . 2 . . . . 105 Leu HB1 . 6635 1 1144 . 1 1 106 106 LEU HB3 H 1 1.459 0.02 . 2 . . . . 105 Leu HB2 . 6635 1 1145 . 1 1 106 106 LEU HG H 1 1.513 0.02 . 1 . . . . 105 Leu HG . 6635 1 1146 . 1 1 106 106 LEU HD11 H 1 0.288 0.02 . 2 . . . . 105 Leu HD1# . 6635 1 1147 . 1 1 106 106 LEU HD12 H 1 0.288 0.02 . 2 . . . . 105 Leu HD1# . 6635 1 1148 . 1 1 106 106 LEU HD13 H 1 0.288 0.02 . 2 . . . . 105 Leu HD1# . 6635 1 1149 . 1 1 106 106 LEU HD21 H 1 0.723 0.02 . 2 . . . . 105 Leu HD2# . 6635 1 1150 . 1 1 106 106 LEU HD22 H 1 0.723 0.02 . 2 . . . . 105 Leu HD2# . 6635 1 1151 . 1 1 106 106 LEU HD23 H 1 0.723 0.02 . 2 . . . . 105 Leu HD2# . 6635 1 1152 . 1 1 106 106 LEU C C 13 178.709 0.4 . 1 . . . . 105 Leu CO . 6635 1 1153 . 1 1 106 106 LEU CA C 13 55.068 0.4 . 1 . . . . 105 Leu CA . 6635 1 1154 . 1 1 106 106 LEU CB C 13 42.676 0.4 . 1 . . . . 105 Leu CB . 6635 1 1155 . 1 1 106 106 LEU CG C 13 27.149 0.4 . 1 . . . . 105 Leu CG . 6635 1 1156 . 1 1 106 106 LEU CD1 C 13 23.468 0.4 . 2 . . . . 105 Leu CD1 . 6635 1 1157 . 1 1 106 106 LEU CD2 C 13 25.239 0.4 . 2 . . . . 105 Leu CD2 . 6635 1 1158 . 1 1 106 106 LEU N N 15 123.968 0.1 . 1 . . . . 105 Leu N . 6635 1 1159 . 1 1 107 107 LYS H H 1 8.884 0.02 . 1 . . . . 106 Lys HN . 6635 1 1160 . 1 1 107 107 LYS HA H 1 3.761 0.02 . 1 . . . . 106 Lys HA . 6635 1 1161 . 1 1 107 107 LYS HB2 H 1 1.543 0.02 . 2 . . . . 106 Lys HB1 . 6635 1 1162 . 1 1 107 107 LYS HB3 H 1 1.706 0.02 . 2 . . . . 106 Lys HB2 . 6635 1 1163 . 1 1 107 107 LYS HG2 H 1 1.157 0.02 . 2 . . . . 106 Lys HG1 . 6635 1 1164 . 1 1 107 107 LYS HG3 H 1 1.368 0.02 . 2 . . . . 106 Lys HG2 . 6635 1 1165 . 1 1 107 107 LYS HD2 H 1 1.681 0.02 . 1 . . . . 106 Lys HD# . 6635 1 1166 . 1 1 107 107 LYS HD3 H 1 1.681 0.02 . 1 . . . . 106 Lys HD# . 6635 1 1167 . 1 1 107 107 LYS HE2 H 1 2.903 0.02 . 1 . . . . 106 Lys HE# . 6635 1 1168 . 1 1 107 107 LYS HE3 H 1 2.903 0.02 . 1 . . . . 106 Lys HE# . 6635 1 1169 . 1 1 107 107 LYS C C 13 178.587 0.4 . 1 . . . . 106 Lys CO . 6635 1 1170 . 1 1 107 107 LYS CA C 13 59.644 0.4 . 1 . . . . 106 Lys CA . 6635 1 1171 . 1 1 107 107 LYS CB C 13 32.864 0.4 . 1 . . . . 106 Lys CB . 6635 1 1172 . 1 1 107 107 LYS CG C 13 26.858 0.4 . 1 . . . . 106 Lys CG . 6635 1 1173 . 1 1 107 107 LYS CD C 13 29.725 0.4 . 1 . . . . 106 Lys CD . 6635 1 1174 . 1 1 107 107 LYS CE C 13 41.915 0.4 . 1 . . . . 106 Lys CE . 6635 1 1175 . 1 1 107 107 LYS N N 15 125.458 0.1 . 1 . . . . 106 Lys N . 6635 1 1176 . 1 1 108 108 GLU H H 1 8.524 0.02 . 1 . . . . 107 Glu HN . 6635 1 1177 . 1 1 108 108 GLU HA H 1 4.124 0.02 . 1 . . . . 107 Glu HA . 6635 1 1178 . 1 1 108 108 GLU HB2 H 1 1.942 0.02 . 1 . . . . 107 Glu HB# . 6635 1 1179 . 1 1 108 108 GLU HB3 H 1 1.942 0.02 . 1 . . . . 107 Glu HB# . 6635 1 1180 . 1 1 108 108 GLU HG2 H 1 2.202 0.02 . 1 . . . . 107 Glu HG# . 6635 1 1181 . 1 1 108 108 GLU HG3 H 1 2.202 0.02 . 1 . . . . 107 Glu HG# . 6635 1 1182 . 1 1 108 108 GLU C C 13 177.227 0.4 . 1 . . . . 107 Glu CO . 6635 1 1183 . 1 1 108 108 GLU CA C 13 57.764 0.4 . 1 . . . . 107 Glu CA . 6635 1 1184 . 1 1 108 108 GLU CB C 13 29.816 0.4 . 1 . . . . 107 Glu CB . 6635 1 1185 . 1 1 108 108 GLU CG C 13 36.249 0.4 . 1 . . . . 107 Glu CG . 6635 1 1186 . 1 1 108 108 GLU N N 15 117.543 0.1 . 1 . . . . 107 Glu N . 6635 1 1187 . 1 1 109 109 GLN H H 1 7.74 0.02 . 1 . . . . 108 Gln HN . 6635 1 1188 . 1 1 109 109 GLN HA H 1 4.245 0.03 . 1 . . . . 108 Gln HA . 6635 1 1189 . 1 1 109 109 GLN C C 13 176.811 0.4 . 1 . . . . 108 Gln CO . 6635 1 1190 . 1 1 109 109 GLN N N 15 117.366 0.1 . 1 . . . . 108 Gln N . 6635 1 1191 . 1 1 110 110 VAL H H 1 7.54 0.02 . 1 . . . . 109 Val HN . 6635 1 1192 . 1 1 110 110 VAL HA H 1 4.038 0.02 . 1 . . . . 109 Val HA . 6635 1 1193 . 1 1 110 110 VAL HB H 1 2.114 0.02 . 1 . . . . 109 Val HB . 6635 1 1194 . 1 1 110 110 VAL HG11 H 1 0.883 0.02 . 2 . . . . 109 Val HG1# . 6635 1 1195 . 1 1 110 110 VAL HG12 H 1 0.883 0.02 . 2 . . . . 109 Val HG1# . 6635 1 1196 . 1 1 110 110 VAL HG13 H 1 0.883 0.02 . 2 . . . . 109 Val HG1# . 6635 1 1197 . 1 1 110 110 VAL HG21 H 1 0.894 0.02 . 2 . . . . 109 Val HG2# . 6635 1 1198 . 1 1 110 110 VAL HG22 H 1 0.894 0.02 . 2 . . . . 109 Val HG2# . 6635 1 1199 . 1 1 110 110 VAL HG23 H 1 0.894 0.02 . 2 . . . . 109 Val HG2# . 6635 1 1200 . 1 1 110 110 VAL C C 13 176.398 0.4 . 1 . . . . 109 Val CO . 6635 1 1201 . 1 1 110 110 VAL CA C 13 62.786 0.4 . 1 . . . . 109 Val CA . 6635 1 1202 . 1 1 110 110 VAL CB C 13 32.343 0.4 . 1 . . . . 109 Val CB . 6635 1 1203 . 1 1 110 110 VAL CG1 C 13 21.218 0.4 . 2 . . . . 109 Val CG1 . 6635 1 1204 . 1 1 110 110 VAL CG2 C 13 21.427 0.4 . 2 . . . . 109 Val CG2 . 6635 1 1205 . 1 1 110 110 VAL N N 15 118.974 0.1 . 1 . . . . 109 Val N . 6635 1 1206 . 1 1 111 111 GLN H H 1 8.218 0.02 . 1 . . . . 110 Gln HN . 6635 1 1207 . 1 1 111 111 GLN HA H 1 4.225 0.03 . 1 . . . . 110 Gln HA . 6635 1 1208 . 1 1 111 111 GLN HB2 H 1 1.982 0.03 . 1 . . . . 110 Gln HB# . 6635 1 1209 . 1 1 111 111 GLN HB3 H 1 1.982 0.03 . 1 . . . . 110 Gln HB# . 6635 1 1210 . 1 1 111 111 GLN HG2 H 1 2.314 0.03 . 1 . . . . 110 Gln HG# . 6635 1 1211 . 1 1 111 111 GLN HG3 H 1 2.314 0.03 . 1 . . . . 110 Gln HG# . 6635 1 1212 . 1 1 111 111 GLN C C 13 175.983 0.4 . 1 . . . . 110 Gln CO . 6635 1 1213 . 1 1 111 111 GLN N N 15 122.947 0.1 . 1 . . . . 110 Gln N . 6635 1 1214 . 1 1 112 112 ALA H H 1 8.178 0.02 . 1 . . . . 111 Ala HN . 6635 1 1215 . 1 1 112 112 ALA HA H 1 4.291 0.02 . 1 . . . . 111 Ala HA . 6635 1 1216 . 1 1 112 112 ALA HB1 H 1 1.389 0.02 . 1 . . . . 111 Ala HB# . 6635 1 1217 . 1 1 112 112 ALA HB2 H 1 1.389 0.02 . 1 . . . . 111 Ala HB# . 6635 1 1218 . 1 1 112 112 ALA HB3 H 1 1.389 0.02 . 1 . . . . 111 Ala HB# . 6635 1 1219 . 1 1 112 112 ALA C C 13 178.038 0.4 . 1 . . . . 111 Ala CO . 6635 1 1220 . 1 1 112 112 ALA CA C 13 52.74 0.4 . 1 . . . . 111 Ala CA . 6635 1 1221 . 1 1 112 112 ALA CB C 13 19.135 0.4 . 1 . . . . 111 Ala CB . 6635 1 1222 . 1 1 112 112 ALA N N 15 124.864 0.1 . 1 . . . . 111 Ala N . 6635 1 1223 . 1 1 113 113 SER H H 1 8.214 0.02 . 1 . . . . 112 Ser HN . 6635 1 1224 . 1 1 113 113 SER HA H 1 4.423 0.02 . 1 . . . . 112 Ser HA . 6635 1 1225 . 1 1 113 113 SER HB2 H 1 3.85 0.02 . 2 . . . . 112 Ser HB1 . 6635 1 1226 . 1 1 113 113 SER HB3 H 1 3.896 0.02 . 2 . . . . 112 Ser HB2 . 6635 1 1227 . 1 1 113 113 SER C C 13 174.726 0.4 . 1 . . . . 112 Ser CO . 6635 1 1228 . 1 1 113 113 SER CA C 13 58.315 0.4 . 1 . . . . 112 Ser CA . 6635 1 1229 . 1 1 113 113 SER CB C 13 63.711 0.4 . 1 . . . . 112 Ser CB . 6635 1 1230 . 1 1 113 113 SER N N 15 115.082 0.1 . 1 . . . . 112 Ser N . 6635 1 1231 . 1 1 114 114 ARG H H 1 8.271 0.02 . 1 . . . . 113 Arg HN . 6635 1 1232 . 1 1 114 114 ARG HA H 1 4.361 0.02 . 1 . . . . 113 Arg HA . 6635 1 1233 . 1 1 114 114 ARG HB2 H 1 1.771 0.02 . 2 . . . . 113 Arg HB1 . 6635 1 1234 . 1 1 114 114 ARG HB3 H 1 1.893 0.02 . 2 . . . . 113 Arg HB2 . 6635 1 1235 . 1 1 114 114 ARG HG2 H 1 1.636 0.02 . 1 . . . . 113 Arg HG# . 6635 1 1236 . 1 1 114 114 ARG HG3 H 1 1.636 0.02 . 1 . . . . 113 Arg HG# . 6635 1 1237 . 1 1 114 114 ARG HD2 H 1 3.184 0.02 . 1 . . . . 113 Arg HD# . 6635 1 1238 . 1 1 114 114 ARG HD3 H 1 3.184 0.02 . 1 . . . . 113 Arg HD# . 6635 1 1239 . 1 1 114 114 ARG C C 13 176.312 0.4 . 1 . . . . 113 Arg CO . 6635 1 1240 . 1 1 114 114 ARG CA C 13 56.122 0.4 . 1 . . . . 113 Arg CA . 6635 1 1241 . 1 1 114 114 ARG CB C 13 30.939 0.4 . 1 . . . . 113 Arg CB . 6635 1 1242 . 1 1 114 114 ARG CG C 13 27.023 0.4 . 1 . . . . 113 Arg CG . 6635 1 1243 . 1 1 114 114 ARG CD C 13 43.28 0.4 . 1 . . . . 113 Arg CD . 6635 1 1244 . 1 1 114 114 ARG N N 15 123.105 0.1 . 1 . . . . 113 Arg N . 6635 1 1245 . 1 1 115 115 GLU H H 1 8.399 0.02 . 1 . . . . 114 Glu HN . 6635 1 1246 . 1 1 115 115 GLU HA H 1 4.292 0.02 . 1 . . . . 114 Glu HA . 6635 1 1247 . 1 1 115 115 GLU HB2 H 1 1.907 0.02 . 2 . . . . 114 Glu HB1 . 6635 1 1248 . 1 1 115 115 GLU HB3 H 1 2.04 0.02 . 2 . . . . 114 Glu HB2 . 6635 1 1249 . 1 1 115 115 GLU HG2 H 1 2.241 0.02 . 1 . . . . 114 Glu HG# . 6635 1 1250 . 1 1 115 115 GLU HG3 H 1 2.241 0.02 . 1 . . . . 114 Glu HG# . 6635 1 1251 . 1 1 115 115 GLU C C 13 176.131 0.4 . 1 . . . . 114 Glu CO . 6635 1 1252 . 1 1 115 115 GLU CA C 13 56.417 0.4 . 1 . . . . 114 Glu CA . 6635 1 1253 . 1 1 115 115 GLU CB C 13 30.257 0.4 . 1 . . . . 114 Glu CB . 6635 1 1254 . 1 1 115 115 GLU CG C 13 36.345 0.4 . 1 . . . . 114 Glu CG . 6635 1 1255 . 1 1 115 115 GLU N N 15 121.786 0.1 . 1 . . . . 114 Glu N . 6635 1 1256 . 1 1 116 116 ASP H H 1 8.381 0.02 . 1 . . . . 115 Asp HN . 6635 1 1257 . 1 1 116 116 ASP HA H 1 4.604 0.02 . 1 . . . . 115 Asp HA . 6635 1 1258 . 1 1 116 116 ASP HB2 H 1 2.592 0.02 . 2 . . . . 115 Asp HB1 . 6635 1 1259 . 1 1 116 116 ASP HB3 H 1 2.685 0.02 . 2 . . . . 115 Asp HB2 . 6635 1 1260 . 1 1 116 116 ASP C C 13 175.125 0.4 . 1 . . . . 115 Asp CO . 6635 1 1261 . 1 1 116 116 ASP CA C 13 54.256 0.4 . 1 . . . . 115 Asp CA . 6635 1 1262 . 1 1 116 116 ASP CB C 13 41.002 0.4 . 1 . . . . 115 Asp CB . 6635 1 1263 . 1 1 116 116 ASP N N 15 122.148 0.1 . 1 . . . . 115 Asp N . 6635 1 1264 . 1 1 117 117 LYS H H 1 7.765 0.02 . 1 . . . . 116 Lys HN . 6635 1 1265 . 1 1 117 117 LYS HA H 1 4.141 0.02 . 1 . . . . 116 Lys HA . 6635 1 1266 . 1 1 117 117 LYS HB2 H 1 1.687 0.02 . 2 . . . . 116 Lys HB1 . 6635 1 1267 . 1 1 117 117 LYS HB3 H 1 1.8 0.02 . 2 . . . . 116 Lys HB2 . 6635 1 1268 . 1 1 117 117 LYS HG2 H 1 1.355 0.02 . 1 . . . . 116 Lys HG# . 6635 1 1269 . 1 1 117 117 LYS HG3 H 1 1.355 0.02 . 1 . . . . 116 Lys HG# . 6635 1 1270 . 1 1 117 117 LYS HD2 H 1 1.663 0.02 . 1 . . . . 116 Lys HD# . 6635 1 1271 . 1 1 117 117 LYS HD3 H 1 1.663 0.02 . 1 . . . . 116 Lys HD# . 6635 1 1272 . 1 1 117 117 LYS HE2 H 1 2.973 0.02 . 1 . . . . 116 Lys HE# . 6635 1 1273 . 1 1 117 117 LYS HE3 H 1 2.973 0.02 . 1 . . . . 116 Lys HE# . 6635 1 1274 . 1 1 117 117 LYS CA C 13 57.504 0.4 . 1 . . . . 116 Lys CA . 6635 1 1275 . 1 1 117 117 LYS CB C 13 33.808 0.4 . 1 . . . . 116 Lys CB . 6635 1 1276 . 1 1 117 117 LYS CG C 13 24.697 0.4 . 1 . . . . 116 Lys CG . 6635 1 1277 . 1 1 117 117 LYS CD C 13 28.907 0.4 . 1 . . . . 116 Lys CD . 6635 1 1278 . 1 1 117 117 LYS CE C 13 41.981 0.4 . 1 . . . . 116 Lys CE . 6635 1 1279 . 1 1 117 117 LYS N N 15 126.413 0.1 . 1 . . . . 116 Lys N . 6635 1 stop_ save_