data_7190 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7190 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'The structure and function of a novel two-site calcium-binding fragment of calmodulin' 'Structure analysis' 'The data from the entries that make up this study were used to determine the structure of a novel fragment of calmodulin including residues 46-113.' 7190 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . calcium 7190 1 . calcium-binding 7190 1 . calmodulin 7190 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7190 _Entry.Title ; The structure and function of a novel two-site calcium-binding fragment of calmodulin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-06-22 _Entry.Accession_date 2006-06-23 _Entry.Last_release_date 2007-09-24 _Entry.Original_release_date 2007-09-24 _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 Ted Lakowski . M. . 7190 2 Greg Lee . M. . 7190 3 Ronald Reid . E. . 7190 4 Lawrence McIntosh . P. . 7190 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7190 heteronucl_NOEs 1 7190 heteronucl_T1_relaxation 1 7190 heteronucl_T2_relaxation 1 7190 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 283 7190 '15N chemical shifts' 70 7190 '1H chemical shifts' 449 7190 'heteronuclear NOE values' 64 7190 'T1 relaxation values' 64 7190 'T2 relaxation values' 64 7190 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 . . 2007-09-24 2006-06-22 original author . 7190 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7190 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17473011 _Citation.Full_citation . _Citation.Title 'Calcium-induced folding of a fragment of calmodulin composed of EF-hands 2 and 3' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 6 _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 1119 _Citation.Page_last 1132 _Citation.Year 2007 _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 Ted Lakowski . M. . 7190 1 2 Greg Lee . M. . 7190 1 3 M. Okon . . . 7190 1 4 Ronald Reid . E. . 7190 1 5 Lawrence McIntosh . P. . 7190 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID calcium-binding 7190 1 Calmodulin 7190 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7190 _Assembly.ID 1 _Assembly.Name CaM2/3 _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 2 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 7701 _Assembly.Enzyme_commission_number . _Assembly.Details 'fragment of calmodulin including residues 46-113' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein-ligand system' 7190 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 CaM2/3 1 $Calmodulin_sites_2_and_3 . . yes native no no 1 Calcium-binding . 7190 1 2 'CALCIUM (II) ION, 1' 2 $CA . . . native . . diamagnetic . . 7190 1 3 'CALCIUM (II) ION, 2' 2 $CA . . . native . . diamagnetic . . 7190 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'calcium- binding' 7190 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Calmodulin_sites_2_and_3 _Entity.Sf_category entity _Entity.Sf_framecode Calmodulin_sites_2_and_3 _Entity.Entry_ID 7190 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CaM2/3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details 'novel fragment of calmodulin including residues 46-113' _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AELQDMINEVDADGNGTIDF PEFLTMMARKMKDTDSEEEI REAFRVFDKDGNGYISAAEL RHVMTNLG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 68 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7701 _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 BMRB 11440 . entity . . . . . 52.94 72 97.22 100.00 2.04e-15 . . . . 7190 1 2 no BMRB 16994 . cCaMF92E . . . . . 55.88 94 97.37 97.37 5.73e-16 . . . . 7190 1 3 no BMRB 19376 . "Calmodulin, C-terminal domain" . . . . . 55.88 75 100.00 100.00 1.43e-17 . . . . 7190 1 4 no BMRB 25344 . CaM_E140Q_Tr2C . . . . . 55.88 73 100.00 100.00 1.28e-17 . . . . 7190 1 5 no BMRB 6789 . TR2C . . . . . 55.88 73 100.00 100.00 1.28e-17 . . . . 7190 1 6 no BMRB 7016 . TR2C . . . . . 55.88 73 100.00 100.00 1.28e-17 . . . . 7190 1 7 no BMRB 7017 . TR2C . . . . . 55.88 73 100.00 100.00 1.28e-17 . . . . 7190 1 8 no PDB 1CMF . "Nmr Solution Structure Of Apo Calmodulin Carboxy-Terminal Domain" . . . . . 55.88 73 100.00 100.00 1.42e-17 . . . . 7190 1 9 no PDB 1CMG . "Nmr Solution Structure Of Calcium-Loaded Calmodulin Carboxy- Terminal Domain" . . . . . 55.88 73 100.00 100.00 1.42e-17 . . . . 7190 1 10 no PDB 1YRT . "Crystal Structure Analysis Of The Adenylyl Cyclaes Catalytic Domain Of Adenylyl Cyclase Toxin Of Bordetella Pertussis In Presen" . . . . . 57.35 74 100.00 100.00 2.58e-18 . . . . 7190 1 11 no PDB 1YRU . "Crystal Structure Analysis Of The Adenylyl Cyclaes Catalytic Domain Of Adenylyl Cyclase Toxin Of Bordetella Pertussis In Presen" . . . . . 57.35 74 100.00 100.00 2.58e-18 . . . . 7190 1 12 no PDB 2COL . "Crystal Structure Analysis Of CyaaC-Cam With Pyrophosphate" . . . . . 51.47 67 100.00 100.00 2.78e-15 . . . . 7190 1 13 no PDB 2HF5 . "The Structure And Function Of A Novel Two-Site Calcium- Binding Fragment Of Calmodulin" . . . . . 100.00 68 100.00 100.00 7.38e-41 . . . . 7190 1 14 no PDB 2KZ2 . "Calmodulin, C-terminal Domain, F92e Mutant" . . . . . 55.88 94 97.37 97.37 5.73e-16 . . . . 7190 1 15 no PDB 2RRT . "Solution Structure Of Magnesium-Bound Form Of Calmodulin C-Domain E104dE140D MUTANT" . . . . . 52.94 72 97.22 100.00 2.04e-15 . . . . 7190 1 16 no PDB 4BYA . "Calmodulin, C-terminal Domain, M144h Mutant" . . . . . 55.88 75 100.00 100.00 1.43e-17 . . . . 7190 1 17 no DBJ BAC39089 . "unnamed protein product [Mus musculus]" . . . . . 66.18 80 97.78 100.00 1.51e-22 . . . . 7190 1 18 no DBJ BAF45809 . "calmodulin, partial [Thunnus thynnus]" . . . . . 66.18 66 100.00 100.00 8.98e-23 . . . . 7190 1 19 no DBJ BAI66109 . "calmodulin [Oryzias latipes]" . . . . . 77.94 56 98.11 98.11 1.12e-28 . . . . 7190 1 20 no DBJ BAI66110 . "calmodulin [Oryzias latipes]" . . . . . 77.94 56 98.11 98.11 1.12e-28 . . . . 7190 1 21 no DBJ BAI66111 . "calmodulin [Oryzias latipes]" . . . . . 77.94 56 100.00 100.00 9.58e-30 . . . . 7190 1 22 no EMBL CAB51566 . "calmodulin [Drosophila melanogaster]" . . . . . 79.41 80 98.15 100.00 1.05e-29 . . . . 7190 1 23 no EMBL CAB65357 . "putative calmodulin [Phallusia mammillata]" . . . . . 82.35 71 98.21 100.00 1.13e-30 . . . . 7190 1 24 no EMBL CCJ31183 . "unnamed protein product [Pneumocystis jirovecii]" . . . . . 100.00 179 97.06 98.53 9.07e-39 . . . . 7190 1 25 no GB AAB87698 . "calmodulin [Sus scrofa]" . . . . . 100.00 86 100.00 100.00 7.78e-41 . . . . 7190 1 26 no GB AAC23998 . "calmodulin, partial [Xiphias gladius]" . . . . . 51.47 35 100.00 100.00 2.85e-15 . . . . 7190 1 27 no GB AAC23999 . "calmodulin, partial [Xiphias gladius]" . . . . . 51.47 35 100.00 100.00 2.85e-15 . . . . 7190 1 28 no GB AAH07965 . "CALM1 protein [Homo sapiens]" . . . . . 100.00 113 100.00 100.00 1.55e-40 . . . . 7190 1 29 no GB AAH10730 . "Calm2 protein, partial [Mus musculus]" . . . . . 91.18 97 100.00 100.00 3.16e-36 . . . . 7190 1 30 no REF XP_001687795 . "Anopheles gambiae str. PEST AGAP012844-PA [Anopheles gambiae str. PEST]" . . . . . 80.88 98 98.18 100.00 2.85e-30 . . . . 7190 1 31 no REF XP_001869425 . "calmodulin [Culex quinquefasciatus]" . . . . . 55.88 66 97.37 100.00 7.13e-17 . . . . 7190 1 32 no REF XP_002404770 . "calmodulin, putative [Ixodes scapularis]" . . . . . 100.00 159 98.53 100.00 1.74e-39 . . . . 7190 1 33 no REF XP_004322571 . "PREDICTED: calmodulin [Tursiops truncatus]" . . . . . 100.00 113 100.00 100.00 1.55e-40 . . . . 7190 1 34 no REF XP_004610315 . "PREDICTED: calmodulin isoform X3 [Sorex araneus]" . . . . . 100.00 113 100.00 100.00 1.55e-40 . . . . 7190 1 35 no TPG DAA24989 . "TPA: calmodulin 2-like isoform 2 [Bos taurus]" . . . . . 100.00 113 100.00 100.00 1.55e-40 . . . . 7190 1 36 no TPG DAA24990 . "TPA: calmodulin 2-like isoform 3 [Bos taurus]" . . . . . 100.00 113 100.00 100.00 1.55e-40 . . . . 7190 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID calcium-binding 7190 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID calcium-binding 7190 1 calmoduin 7190 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 46 ALA . 7190 1 2 47 GLU . 7190 1 3 48 LEU . 7190 1 4 49 GLN . 7190 1 5 50 ASP . 7190 1 6 51 MET . 7190 1 7 52 ILE . 7190 1 8 53 ASN . 7190 1 9 54 GLU . 7190 1 10 55 VAL . 7190 1 11 56 ASP . 7190 1 12 57 ALA . 7190 1 13 58 ASP . 7190 1 14 59 GLY . 7190 1 15 60 ASN . 7190 1 16 61 GLY . 7190 1 17 62 THR . 7190 1 18 63 ILE . 7190 1 19 64 ASP . 7190 1 20 65 PHE . 7190 1 21 66 PRO . 7190 1 22 67 GLU . 7190 1 23 68 PHE . 7190 1 24 69 LEU . 7190 1 25 70 THR . 7190 1 26 71 MET . 7190 1 27 72 MET . 7190 1 28 73 ALA . 7190 1 29 74 ARG . 7190 1 30 75 LYS . 7190 1 31 76 MET . 7190 1 32 77 LYS . 7190 1 33 78 ASP . 7190 1 34 79 THR . 7190 1 35 80 ASP . 7190 1 36 81 SER . 7190 1 37 82 GLU . 7190 1 38 83 GLU . 7190 1 39 84 GLU . 7190 1 40 85 ILE . 7190 1 41 86 ARG . 7190 1 42 87 GLU . 7190 1 43 88 ALA . 7190 1 44 89 PHE . 7190 1 45 90 ARG . 7190 1 46 91 VAL . 7190 1 47 92 PHE . 7190 1 48 93 ASP . 7190 1 49 94 LYS . 7190 1 50 95 ASP . 7190 1 51 96 GLY . 7190 1 52 97 ASN . 7190 1 53 98 GLY . 7190 1 54 99 TYR . 7190 1 55 100 ILE . 7190 1 56 101 SER . 7190 1 57 102 ALA . 7190 1 58 103 ALA . 7190 1 59 104 GLU . 7190 1 60 105 LEU . 7190 1 61 106 ARG . 7190 1 62 107 HIS . 7190 1 63 108 VAL . 7190 1 64 109 MET . 7190 1 65 110 THR . 7190 1 66 111 ASN . 7190 1 67 112 LEU . 7190 1 68 113 GLY . 7190 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 . ALA 1 1 7190 1 . GLU 2 2 7190 1 . LEU 3 3 7190 1 . GLN 4 4 7190 1 . ASP 5 5 7190 1 . MET 6 6 7190 1 . ILE 7 7 7190 1 . ASN 8 8 7190 1 . GLU 9 9 7190 1 . VAL 10 10 7190 1 . ASP 11 11 7190 1 . ALA 12 12 7190 1 . ASP 13 13 7190 1 . GLY 14 14 7190 1 . ASN 15 15 7190 1 . GLY 16 16 7190 1 . THR 17 17 7190 1 . ILE 18 18 7190 1 . ASP 19 19 7190 1 . PHE 20 20 7190 1 . PRO 21 21 7190 1 . GLU 22 22 7190 1 . PHE 23 23 7190 1 . LEU 24 24 7190 1 . THR 25 25 7190 1 . MET 26 26 7190 1 . MET 27 27 7190 1 . ALA 28 28 7190 1 . ARG 29 29 7190 1 . LYS 30 30 7190 1 . MET 31 31 7190 1 . LYS 32 32 7190 1 . ASP 33 33 7190 1 . THR 34 34 7190 1 . ASP 35 35 7190 1 . SER 36 36 7190 1 . GLU 37 37 7190 1 . GLU 38 38 7190 1 . GLU 39 39 7190 1 . ILE 40 40 7190 1 . ARG 41 41 7190 1 . GLU 42 42 7190 1 . ALA 43 43 7190 1 . PHE 44 44 7190 1 . ARG 45 45 7190 1 . VAL 46 46 7190 1 . PHE 47 47 7190 1 . ASP 48 48 7190 1 . LYS 49 49 7190 1 . ASP 50 50 7190 1 . GLY 51 51 7190 1 . ASN 52 52 7190 1 . GLY 53 53 7190 1 . TYR 54 54 7190 1 . ILE 55 55 7190 1 . SER 56 56 7190 1 . ALA 57 57 7190 1 . ALA 58 58 7190 1 . GLU 59 59 7190 1 . LEU 60 60 7190 1 . ARG 61 61 7190 1 . HIS 62 62 7190 1 . VAL 63 63 7190 1 . MET 64 64 7190 1 . THR 65 65 7190 1 . ASN 66 66 7190 1 . LEU 67 67 7190 1 . GLY 68 68 7190 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 7190 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . CA . 7190 2 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 7190 _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 $Calmodulin_sites_2_and_3 . . . no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7190 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 7190 _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 $Calmodulin_sites_2_and_3 . 'recombinant technology' . 'E. coli' 'BL21 star DE3' . . . . . . . . . . . . . . . . . . . pET28a . . . . . . 7190 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 7190 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 3 17:34:29 2012 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 7190 CA [Ca++] SMILES CACTVS 3.341 7190 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 7190 CA [Ca+2] SMILES ACDLabs 10.04 7190 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 7190 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 7190 CA InChI=1S/Ca/q+2 InChI InChI 1.03 7190 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 7190 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 7190 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 7190 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7190 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CaM2/3 '[U-13C; U-15N]' . . 1 $Calmodulin_sites_2_and_3 . protein 0.5 . . mM . . . . 7190 1 2 'Tris d11' '11 D' . . . . . buffer 20 . . mM . . . . 7190 1 3 CaCl2 . . . . . . salt 10 . . mM . . . . 7190 1 4 KCl . . . . . . salt 50 . . mM . . . . 7190 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7190 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CaM2/3 [U-15N] . . 1 $Calmodulin_sites_2_and_3 . protein 0.2 . . mM . . . . 7190 2 2 'Tris d11' '11 D' . . . . . buffer 20 . . mM . . . . 7190 2 3 CaCl2 . . . . . . salt 10 . . mM . . . . 7190 2 4 KCl . . . . . . salt 50 . . mM . . . . 7190 2 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 7190 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH* 7.4 0 pH 7190 1 temperature 298 0 K 7190 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 7190 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 7190 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 7190 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N-1H NOESY-HSQC' yes . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7190 1 2 'SIMULTANEOUS 1H-13C/15N-1H' yes . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7190 1 3 NOESY-HSQC yes . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7190 1 4 'AROMATIC 1H-13C-1H' yes . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7190 1 5 NOESY-HSQC yes . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7190 1 6 'METHYL 1H-13C/15N-1H NOESY-HSQC' yes . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7190 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 7190 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect . . . . . . . . . . 7190 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 7190 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect . . . . . . . . . . 7190 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 7190 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 7190 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 4.042 0.004 . 1 . . . . 46 ALA HA . 7190 1 2 . 1 1 1 1 ALA HB1 H 1 1.494 0.008 . 1 . . . . 46 ALA HB . 7190 1 3 . 1 1 1 1 ALA HB2 H 1 1.494 0.008 . 1 . . . . 46 ALA HB . 7190 1 4 . 1 1 1 1 ALA HB3 H 1 1.494 0.008 . 1 . . . . 46 ALA HB . 7190 1 5 . 1 1 1 1 ALA CA C 13 51.922 0.034 . 1 . . . . 46 ALA CA . 7190 1 6 . 1 1 1 1 ALA CB C 13 19.773 0.035 . 1 . . . . 46 ALA CB . 7190 1 7 . 1 1 2 2 GLU HA H 1 4.39 0.01 . 1 . . . . 47 GLU HA . 7190 1 8 . 1 1 2 2 GLU HB2 H 1 2.164 0.003 . 2 . . . . 47 GLU HB* . 7190 1 9 . 1 1 2 2 GLU HB3 H 1 1.95 0.008 . 1 . . . . 47 GLU HB* . 7190 1 10 . 1 1 2 2 GLU HG2 H 1 2.328 0.013 . 1 . . . . 47 GLU HG* . 7190 1 11 . 1 1 2 2 GLU HG3 H 1 2.328 0.013 . 1 . . . . 47 GLU HG* . 7190 1 12 . 1 1 2 2 GLU C C 13 177.53 0 . 1 . . . . 47 GLU C . 7190 1 13 . 1 1 2 2 GLU CA C 13 56.434 0.114 . 1 . . . . 47 GLU CA . 7190 1 14 . 1 1 2 2 GLU CB C 13 30.374 0.075 . 1 . . . . 47 GLU CB . 7190 1 15 . 1 1 2 2 GLU CG C 13 36.204 0.062 . 1 . . . . 47 GLU CG . 7190 1 16 . 1 1 3 3 LEU H H 1 8.738 0.008 . 1 . . . . 48 LEU H . 7190 1 17 . 1 1 3 3 LEU HA H 1 4.107 0.01 . 1 . . . . 48 LEU HA . 7190 1 18 . 1 1 3 3 LEU HB2 H 1 1.691 0.006 . 2 . . . . 48 LEU HB* . 7190 1 19 . 1 1 3 3 LEU HB3 H 1 1.639 0.019 . 1 . . . . 48 LEU HB* . 7190 1 20 . 1 1 3 3 LEU HG H 1 1.654 0.02 . 1 . . . . 48 LEU HG . 7190 1 21 . 1 1 3 3 LEU HD11 H 1 0.926 0.009 . 2 . . . . 48 LEU HD* . 7190 1 22 . 1 1 3 3 LEU HD12 H 1 0.926 0.009 . 2 . . . . 48 LEU HD* . 7190 1 23 . 1 1 3 3 LEU HD13 H 1 0.926 0.009 . 2 . . . . 48 LEU HD* . 7190 1 24 . 1 1 3 3 LEU HD21 H 1 0.873 0.012 . 2 . . . . 48 LEU HD* . 7190 1 25 . 1 1 3 3 LEU HD22 H 1 0.873 0.012 . 2 . . . . 48 LEU HD* . 7190 1 26 . 1 1 3 3 LEU HD23 H 1 0.873 0.012 . 2 . . . . 48 LEU HD* . 7190 1 27 . 1 1 3 3 LEU C C 13 178.295 0 . 1 . . . . 48 LEU C . 7190 1 28 . 1 1 3 3 LEU CA C 13 58.074 0.127 . 1 . . . . 48 LEU CA . 7190 1 29 . 1 1 3 3 LEU CB C 13 41.826 0.066 . 1 . . . . 48 LEU CB . 7190 1 30 . 1 1 3 3 LEU CG C 13 27.078 0.013 . 1 . . . . 48 LEU CG . 7190 1 31 . 1 1 3 3 LEU CD1 C 13 24.571 0.19 . 2 . . . . 48 LEU CD* . 7190 1 32 . 1 1 3 3 LEU CD2 C 13 24.739 0.078 . 1 . . . . 48 LEU CD* . 7190 1 33 . 1 1 3 3 LEU N N 15 123.678 0.041 . 1 . . . . 48 LEU N . 7190 1 34 . 1 1 4 4 GLN H H 1 8.545 0.01 . 1 . . . . 49 GLN H . 7190 1 35 . 1 1 4 4 GLN HA H 1 3.938 0.01 . 1 . . . . 49 GLN HA . 7190 1 36 . 1 1 4 4 GLN HB2 H 1 2.114 0.006 . 2 . . . . 49 GLN HB* . 7190 1 37 . 1 1 4 4 GLN HB3 H 1 2.047 0.028 . 1 . . . . 49 GLN HB* . 7190 1 38 . 1 1 4 4 GLN HG2 H 1 2.393 0.023 . 1 . . . . 49 GLN HG* . 7190 1 39 . 1 1 4 4 GLN HG3 H 1 2.393 0.023 . 1 . . . . 49 GLN HG* . 7190 1 40 . 1 1 4 4 GLN HE21 H 1 6.964 0.011 . 2 . . . . 49 GLN HE* . 7190 1 41 . 1 1 4 4 GLN HE22 H 1 7.549 0.008 . 2 . . . . 49 GLN HE* . 7190 1 42 . 1 1 4 4 GLN C C 13 177.167 0 . 1 . . . . 49 GLN C . 7190 1 43 . 1 1 4 4 GLN CA C 13 58.189 0.119 . 1 . . . . 49 GLN CA . 7190 1 44 . 1 1 4 4 GLN CB C 13 28.371 0.143 . 1 . . . . 49 GLN CB . 7190 1 45 . 1 1 4 4 GLN CG C 13 33.855 0.013 . 1 . . . . 49 GLN CG . 7190 1 46 . 1 1 4 4 GLN CD C 13 180.267 0.264 . 1 . . . . 49 GLN CD . 7190 1 47 . 1 1 4 4 GLN N N 15 117.207 0.039 . 1 . . . . 49 GLN N . 7190 1 48 . 1 1 4 4 GLN NE2 N 15 113.109 0.253 . 1 . . . . 49 GLN NE2 . 7190 1 49 . 1 1 5 5 ASP H H 1 7.702 0.011 . 1 . . . . 50 ASP H . 7190 1 50 . 1 1 5 5 ASP HA H 1 4.492 0.028 . 1 . . . . 50 ASP HA . 7190 1 51 . 1 1 5 5 ASP HB2 H 1 2.746 0.013 . 1 . . . . 50 ASP HB* . 7190 1 52 . 1 1 5 5 ASP HB3 H 1 2.746 0.013 . 1 . . . . 50 ASP HB* . 7190 1 53 . 1 1 5 5 ASP C C 13 177.891 0 . 1 . . . . 50 ASP C . 7190 1 54 . 1 1 5 5 ASP CA C 13 56.595 0.19 . 1 . . . . 50 ASP CA . 7190 1 55 . 1 1 5 5 ASP CB C 13 40.624 0.112 . 1 . . . . 50 ASP CB . 7190 1 56 . 1 1 5 5 ASP N N 15 118.666 0.029 . 1 . . . . 50 ASP N . 7190 1 57 . 1 1 6 6 MET H H 1 7.837 0.013 . 1 . . . . 51 MET H . 7190 1 58 . 1 1 6 6 MET HA H 1 4.219 0.013 . 1 . . . . 51 MET HA . 7190 1 59 . 1 1 6 6 MET HB2 H 1 2.163 0.017 . 2 . . . . 51 MET HB* . 7190 1 60 . 1 1 6 6 MET HB3 H 1 2.066 0.042 . 1 . . . . 51 MET HB* . 7190 1 61 . 1 1 6 6 MET HG2 H 1 2.571 0.01 . 2 . . . . 51 MET HG* . 7190 1 62 . 1 1 6 6 MET HG3 H 1 2.487 0.016 . 1 . . . . 51 MET HG* . 7190 1 63 . 1 1 6 6 MET C C 13 178.019 0 . 1 . . . . 51 MET C . 7190 1 64 . 1 1 6 6 MET CA C 13 58.136 0.125 . 1 . . . . 51 MET CA . 7190 1 65 . 1 1 6 6 MET CB C 13 32.871 0.055 . 1 . . . . 51 MET CB . 7190 1 66 . 1 1 6 6 MET CG C 13 32.259 0.181 . 1 . . . . 51 MET CG . 7190 1 67 . 1 1 6 6 MET N N 15 119.74 0.033 . 1 . . . . 51 MET N . 7190 1 68 . 1 1 7 7 ILE H H 1 7.884 0.011 . 1 . . . . 52 ILE H . 7190 1 69 . 1 1 7 7 ILE HA H 1 3.565 0.01 . 1 . . . . 52 ILE HA . 7190 1 70 . 1 1 7 7 ILE HB H 1 1.874 0.013 . 1 . . . . 52 ILE HB . 7190 1 71 . 1 1 7 7 ILE HG12 H 1 0.952 0.01 . 2 . . . . 52 ILE HG* . 7190 1 72 . 1 1 7 7 ILE HG13 H 1 1.615 0.004 . 2 . . . . 52 ILE HG* . 7190 1 73 . 1 1 7 7 ILE HG21 H 1 0.81 0.008 . 1 . . . . 52 ILE HG2 . 7190 1 74 . 1 1 7 7 ILE HG22 H 1 0.81 0.008 . 1 . . . . 52 ILE HG2 . 7190 1 75 . 1 1 7 7 ILE HG23 H 1 0.81 0.008 . 1 . . . . 52 ILE HG2 . 7190 1 76 . 1 1 7 7 ILE HD11 H 1 0.797 0.015 . 1 . . . . 52 ILE HD1 . 7190 1 77 . 1 1 7 7 ILE HD12 H 1 0.797 0.015 . 1 . . . . 52 ILE HD1 . 7190 1 78 . 1 1 7 7 ILE HD13 H 1 0.797 0.015 . 1 . . . . 52 ILE HD1 . 7190 1 79 . 1 1 7 7 ILE C C 13 177.056 0 . 1 . . . . 52 ILE C . 7190 1 80 . 1 1 7 7 ILE CA C 13 64.685 0.134 . 1 . . . . 52 ILE CA . 7190 1 81 . 1 1 7 7 ILE CB C 13 37.954 0.088 . 1 . . . . 52 ILE CB . 7190 1 82 . 1 1 7 7 ILE CG1 C 13 29.166 0.059 . 1 . . . . 52 ILE CG1 . 7190 1 83 . 1 1 7 7 ILE CG2 C 13 16.753 0.047 . 1 . . . . 52 ILE CG2 . 7190 1 84 . 1 1 7 7 ILE CD1 C 13 13.053 0.054 . 1 . . . . 52 ILE CD1 . 7190 1 85 . 1 1 7 7 ILE N N 15 118.726 0.038 . 1 . . . . 52 ILE N . 7190 1 86 . 1 1 8 8 ASN H H 1 8.252 0.009 . 1 . . . . 53 ASN H . 7190 1 87 . 1 1 8 8 ASN HA H 1 4.245 0.075 . 1 . . . . 53 ASN HA . 7190 1 88 . 1 1 8 8 ASN HB2 H 1 2.874 0.007 . 1 . . . . 53 ASN HB* . 7190 1 89 . 1 1 8 8 ASN HB3 H 1 2.874 0.007 . 1 . . . . 53 ASN HB* . 7190 1 90 . 1 1 8 8 ASN HD21 H 1 7.804 0.009 . 2 . . . . 53 ASN HD* . 7190 1 91 . 1 1 8 8 ASN HD22 H 1 6.952 0.009 . 2 . . . . 53 ASN HD* . 7190 1 92 . 1 1 8 8 ASN C C 13 176.988 0 . 1 . . . . 53 ASN C . 7190 1 93 . 1 1 8 8 ASN CA C 13 55.719 0.136 . 1 . . . . 53 ASN CA . 7190 1 94 . 1 1 8 8 ASN CB C 13 38.097 0.078 . 1 . . . . 53 ASN CB . 7190 1 95 . 1 1 8 8 ASN CG C 13 176.425 0.013 . 1 . . . . 53 ASN CG . 7190 1 96 . 1 1 8 8 ASN N N 15 117.27 0.054 . 1 . . . . 53 ASN N . 7190 1 97 . 1 1 8 8 ASN ND2 N 15 111.855 0.225 . 1 . . . . 53 ASN ND2 . 7190 1 98 . 1 1 9 9 GLU H H 1 7.697 0.011 . 1 . . . . 54 GLU H . 7190 1 99 . 1 1 9 9 GLU HA H 1 4.143 0.03 . 1 . . . . 54 GLU HA . 7190 1 100 . 1 1 9 9 GLU HB2 H 1 2.092 0.01 . 1 . . . . 54 GLU HB* . 7190 1 101 . 1 1 9 9 GLU HB3 H 1 2.092 0.01 . 1 . . . . 54 GLU HB* . 7190 1 102 . 1 1 9 9 GLU HG2 H 1 2.427 0 . 1 . . . . 54 GLU HG* . 7190 1 103 . 1 1 9 9 GLU HG3 H 1 2.427 0 . 1 . . . . 54 GLU HG* . 7190 1 104 . 1 1 9 9 GLU CA C 13 58.796 0.008 . 1 . . . . 54 GLU CA . 7190 1 105 . 1 1 9 9 GLU CB C 13 30.356 0.109 . 1 . . . . 54 GLU CB . 7190 1 106 . 1 1 9 9 GLU N N 15 117.156 0.052 . 1 . . . . 54 GLU N . 7190 1 107 . 1 1 10 10 VAL H H 1 7.462 0.005 . 1 . . . . 55 VAL H . 7190 1 108 . 1 1 10 10 VAL HA H 1 4.298 0.014 . 1 . . . . 55 VAL HA . 7190 1 109 . 1 1 10 10 VAL HB H 1 2.249 0.008 . 1 . . . . 55 VAL HB . 7190 1 110 . 1 1 10 10 VAL HG11 H 1 0.917 0.014 . 2 . . . . 55 VAL HG* . 7190 1 111 . 1 1 10 10 VAL HG12 H 1 0.917 0.014 . 2 . . . . 55 VAL HG* . 7190 1 112 . 1 1 10 10 VAL HG13 H 1 0.917 0.014 . 2 . . . . 55 VAL HG* . 7190 1 113 . 1 1 10 10 VAL HG21 H 1 0.971 0.008 . 2 . . . . 55 VAL HG* . 7190 1 114 . 1 1 10 10 VAL HG22 H 1 0.971 0.008 . 2 . . . . 55 VAL HG* . 7190 1 115 . 1 1 10 10 VAL HG23 H 1 0.971 0.008 . 2 . . . . 55 VAL HG* . 7190 1 116 . 1 1 10 10 VAL C C 13 176.32 0 . 1 . . . . 55 VAL C . 7190 1 117 . 1 1 10 10 VAL CA C 13 61.913 0.102 . 1 . . . . 55 VAL CA . 7190 1 118 . 1 1 10 10 VAL CB C 13 32.838 0.092 . 1 . . . . 55 VAL CB . 7190 1 119 . 1 1 10 10 VAL CG1 C 13 21.96 0.076 . 2 . . . . 55 VAL CG* . 7190 1 120 . 1 1 10 10 VAL CG2 C 13 20.653 0.058 . 2 . . . . 55 VAL CG* . 7190 1 121 . 1 1 10 10 VAL N N 15 111.943 0.077 . 1 . . . . 55 VAL N . 7190 1 122 . 1 1 11 11 ASP H H 1 7.965 0.012 . 1 . . . . 56 ASP H . 7190 1 123 . 1 1 11 11 ASP HA H 1 4.574 0.013 . 1 . . . . 56 ASP HA . 7190 1 124 . 1 1 11 11 ASP HB2 H 1 2.718 0.004 . 1 . . . . 56 ASP HB* . 7190 1 125 . 1 1 11 11 ASP HB3 H 1 2.718 0.004 . 1 . . . . 56 ASP HB* . 7190 1 126 . 1 1 11 11 ASP CA C 13 54.595 0.365 . 1 . . . . 56 ASP CA . 7190 1 127 . 1 1 11 11 ASP CB C 13 41.07 0.288 . 1 . . . . 56 ASP CB . 7190 1 128 . 1 1 11 11 ASP N N 15 120.981 0.036 . 1 . . . . 56 ASP N . 7190 1 129 . 1 1 12 12 ALA H H 1 8.215 0.016 . 1 . . . . 57 ALA H . 7190 1 130 . 1 1 12 12 ALA HA H 1 4.17 0.011 . 1 . . . . 57 ALA HA . 7190 1 131 . 1 1 12 12 ALA HB1 H 1 1.538 0.008 . 1 . . . . 57 ALA HB . 7190 1 132 . 1 1 12 12 ALA HB2 H 1 1.538 0.008 . 1 . . . . 57 ALA HB . 7190 1 133 . 1 1 12 12 ALA HB3 H 1 1.538 0.008 . 1 . . . . 57 ALA HB . 7190 1 134 . 1 1 12 12 ALA C C 13 178.644 0 . 1 . . . . 57 ALA C . 7190 1 135 . 1 1 12 12 ALA CA C 13 54.619 0.088 . 1 . . . . 57 ALA CA . 7190 1 136 . 1 1 12 12 ALA CB C 13 19.509 0.066 . 1 . . . . 57 ALA CB . 7190 1 137 . 1 1 12 12 ALA N N 15 130.892 0.098 . 1 . . . . 57 ALA N . 7190 1 138 . 1 1 13 13 ASP H H 1 8.131 0.011 . 1 . . . . 58 ASP H . 7190 1 139 . 1 1 13 13 ASP HA H 1 4.644 0.019 . 1 . . . . 58 ASP HA . 7190 1 140 . 1 1 13 13 ASP HB2 H 1 3.048 0.008 . 2 . . . . 58 ASP HB* . 7190 1 141 . 1 1 13 13 ASP HB3 H 1 2.693 0.028 . 1 . . . . 58 ASP HB* . 7190 1 142 . 1 1 13 13 ASP C C 13 177.667 0 . 1 . . . . 58 ASP C . 7190 1 143 . 1 1 13 13 ASP CA C 13 53.016 0.066 . 1 . . . . 58 ASP CA . 7190 1 144 . 1 1 13 13 ASP CB C 13 39.769 0.086 . 1 . . . . 58 ASP CB . 7190 1 145 . 1 1 13 13 ASP N N 15 113.75 0.058 . 1 . . . . 58 ASP N . 7190 1 146 . 1 1 14 14 GLY H H 1 7.745 0.025 . 1 . . . . 59 GLY H . 7190 1 147 . 1 1 14 14 GLY HA2 H 1 3.885 0.014 . 2 . . . . 59 GLY HA* . 7190 1 148 . 1 1 14 14 GLY HA3 H 1 3.82 0.013 . 1 . . . . 59 GLY HA* . 7190 1 149 . 1 1 14 14 GLY C C 13 175.106 0 . 1 . . . . 59 GLY C . 7190 1 150 . 1 1 14 14 GLY CA C 13 47.11 0.089 . 1 . . . . 59 GLY CA . 7190 1 151 . 1 1 14 14 GLY N N 15 109.022 0.029 . 1 . . . . 59 GLY N . 7190 1 152 . 1 1 15 15 ASN H H 1 8.176 0.016 . 1 . . . . 60 ASN H . 7190 1 153 . 1 1 15 15 ASN HB2 H 1 3.261 0 . 2 . . . . 60 ASN HB* . 7190 1 154 . 1 1 15 15 ASN HB3 H 1 2.604 0 . 1 . . . . 60 ASN HB* . 7190 1 155 . 1 1 15 15 ASN HD21 H 1 7.977 0.013 . 2 . . . . 60 ASN HD* . 7190 1 156 . 1 1 15 15 ASN HD22 H 1 6.728 0.01 . 2 . . . . 60 ASN HD* . 7190 1 157 . 1 1 15 15 ASN C C 13 178.769 0 . 1 . . . . 60 ASN C . 7190 1 158 . 1 1 15 15 ASN CA C 13 52.54 0 . 1 . . . . 60 ASN CA . 7190 1 159 . 1 1 15 15 ASN CB C 13 38.112 0 . 1 . . . . 60 ASN CB . 7190 1 160 . 1 1 15 15 ASN N N 15 118.811 0.045 . 1 . . . . 60 ASN N . 7190 1 161 . 1 1 15 15 ASN ND2 N 15 115.698 0.056 . 1 . . . . 60 ASN ND2 . 7190 1 162 . 1 1 16 16 GLY H H 1 10.594 0.024 . 1 . . . . 61 GLY H . 7190 1 163 . 1 1 16 16 GLY HA2 H 1 4.161 0.015 . 2 . . . . 61 GLY HA* . 7190 1 164 . 1 1 16 16 GLY HA3 H 1 3.515 0.018 . 1 . . . . 61 GLY HA* . 7190 1 165 . 1 1 16 16 GLY C C 13 173.348 0 . 1 . . . . 61 GLY C . 7190 1 166 . 1 1 16 16 GLY CA C 13 45.694 0.029 . 1 . . . . 61 GLY CA . 7190 1 167 . 1 1 16 16 GLY N N 15 113.692 0.157 . 1 . . . . 61 GLY N . 7190 1 168 . 1 1 17 17 THR H H 1 7.681 0.012 . 1 . . . . 62 THR H . 7190 1 169 . 1 1 17 17 THR HA H 1 4.743 0.006 . 1 . . . . 62 THR HA . 7190 1 170 . 1 1 17 17 THR HB H 1 3.85 0.005 . 1 . . . . 62 THR HB . 7190 1 171 . 1 1 17 17 THR HG21 H 1 0.879 0.005 . 1 . . . . 62 THR HG2 . 7190 1 172 . 1 1 17 17 THR HG22 H 1 0.879 0.005 . 1 . . . . 62 THR HG2 . 7190 1 173 . 1 1 17 17 THR HG23 H 1 0.879 0.005 . 1 . . . . 62 THR HG2 . 7190 1 174 . 1 1 17 17 THR C C 13 173.019 0 . 1 . . . . 62 THR C . 7190 1 175 . 1 1 17 17 THR CA C 13 59.471 0.141 . 1 . . . . 62 THR CA . 7190 1 176 . 1 1 17 17 THR CB C 13 71.651 0.073 . 1 . . . . 62 THR CB . 7190 1 177 . 1 1 17 17 THR CG2 C 13 21.853 0.047 . 1 . . . . 62 THR CG2 . 7190 1 178 . 1 1 17 17 THR N N 15 110.355 0.037 . 1 . . . . 62 THR N . 7190 1 179 . 1 1 18 18 ILE H H 1 8.968 0.016 . 1 . . . . 63 ILE H . 7190 1 180 . 1 1 18 18 ILE HA H 1 5.269 0.005 . 1 . . . . 63 ILE HA . 7190 1 181 . 1 1 18 18 ILE HB H 1 2.217 0.011 . 1 . . . . 63 ILE HB . 7190 1 182 . 1 1 18 18 ILE HG12 H 1 1.181 0.024 . 2 . . . . 63 ILE HG* . 7190 1 183 . 1 1 18 18 ILE HG13 H 1 1.449 0.005 . 2 . . . . 63 ILE HG* . 7190 1 184 . 1 1 18 18 ILE HG21 H 1 1.24 0.021 . 1 . . . . 63 ILE HG2 . 7190 1 185 . 1 1 18 18 ILE HG22 H 1 1.24 0.021 . 1 . . . . 63 ILE HG2 . 7190 1 186 . 1 1 18 18 ILE HG23 H 1 1.24 0.021 . 1 . . . . 63 ILE HG2 . 7190 1 187 . 1 1 18 18 ILE HD11 H 1 0.8 0.01 . 1 . . . . 63 ILE HD1 . 7190 1 188 . 1 1 18 18 ILE HD12 H 1 0.8 0.01 . 1 . . . . 63 ILE HD1 . 7190 1 189 . 1 1 18 18 ILE HD13 H 1 0.8 0.01 . 1 . . . . 63 ILE HD1 . 7190 1 190 . 1 1 18 18 ILE C C 13 175.735 0 . 1 . . . . 63 ILE C . 7190 1 191 . 1 1 18 18 ILE CA C 13 59.665 0.191 . 1 . . . . 63 ILE CA . 7190 1 192 . 1 1 18 18 ILE CB C 13 39.141 0.131 . 1 . . . . 63 ILE CB . 7190 1 193 . 1 1 18 18 ILE CG1 C 13 27.561 0.061 . 1 . . . . 63 ILE CG1 . 7190 1 194 . 1 1 18 18 ILE CG2 C 13 18.288 0.069 . 1 . . . . 63 ILE CG2 . 7190 1 195 . 1 1 18 18 ILE CD1 C 13 13.12 0.068 . 1 . . . . 63 ILE CD1 . 7190 1 196 . 1 1 18 18 ILE N N 15 126.212 0.075 . 1 . . . . 63 ILE N . 7190 1 197 . 1 1 19 19 ASP H H 1 8.916 0.011 . 1 . . . . 64 ASP H . 7190 1 198 . 1 1 19 19 ASP HA H 1 5.246 0.007 . 1 . . . . 64 ASP HA . 7190 1 199 . 1 1 19 19 ASP HB2 H 1 3.202 0.013 . 2 . . . . 64 ASP HB* . 7190 1 200 . 1 1 19 19 ASP HB3 H 1 2.83 0.012 . 1 . . . . 64 ASP HB* . 7190 1 201 . 1 1 19 19 ASP C C 13 175.589 0 . 1 . . . . 64 ASP C . 7190 1 202 . 1 1 19 19 ASP CA C 13 52.113 0.064 . 1 . . . . 64 ASP CA . 7190 1 203 . 1 1 19 19 ASP CB C 13 42.151 0.088 . 1 . . . . 64 ASP CB . 7190 1 204 . 1 1 19 19 ASP N N 15 128.895 0.058 . 1 . . . . 64 ASP N . 7190 1 205 . 1 1 20 20 PHE H H 1 8.835 0.039 . 1 . . . . 65 PHE H . 7190 1 206 . 1 1 20 20 PHE HA H 1 3.889 0.02 . 1 . . . . 65 PHE HA . 7190 1 207 . 1 1 20 20 PHE HB2 H 1 2.832 0.006 . 2 . . . . 65 PHE HB* . 7190 1 208 . 1 1 20 20 PHE HB3 H 1 2.082 0.004 . 1 . . . . 65 PHE HB* . 7190 1 209 . 1 1 20 20 PHE HD1 H 1 6.618 0.004 . 1 . . . . 65 PHE HD* . 7190 1 210 . 1 1 20 20 PHE HD2 H 1 6.618 0.004 . 1 . . . . 65 PHE HD* . 7190 1 211 . 1 1 20 20 PHE HE1 H 1 7.191 0.007 . 1 . . . . 65 PHE HE* . 7190 1 212 . 1 1 20 20 PHE HE2 H 1 7.191 0.007 . 1 . . . . 65 PHE HE* . 7190 1 213 . 1 1 20 20 PHE HZ H 1 7.174 0.007 . 1 . . . . 65 PHE HZ . 7190 1 214 . 1 1 20 20 PHE CA C 13 64.038 0.044 . 1 . . . . 65 PHE CA . 7190 1 215 . 1 1 20 20 PHE CB C 13 36.019 0.065 . 1 . . . . 65 PHE CB . 7190 1 216 . 1 1 20 20 PHE CD1 C 13 131.801 0.062 . 1 . . . . 65 PHE CD* . 7190 1 217 . 1 1 20 20 PHE CD2 C 13 131.801 0.062 . 1 . . . . 65 PHE CD* . 7190 1 218 . 1 1 20 20 PHE CE1 C 13 131.22 0.153 . 1 . . . . 65 PHE CE* . 7190 1 219 . 1 1 20 20 PHE CE2 C 13 131.22 0.153 . 1 . . . . 65 PHE CE* . 7190 1 220 . 1 1 20 20 PHE CZ C 13 129.278 0.136 . 1 . . . . 65 PHE CZ . 7190 1 221 . 1 1 20 20 PHE N N 15 117.754 0.044 . 1 . . . . 65 PHE N . 7190 1 222 . 1 1 21 21 PRO HA H 1 3.948 0.012 . 1 . . . . 66 PRO HA . 7190 1 223 . 1 1 21 21 PRO HB2 H 1 2.251 0.012 . 1 . . . . 66 PRO HB* . 7190 1 224 . 1 1 21 21 PRO HB3 H 1 2.251 0.012 . 1 . . . . 66 PRO HB* . 7190 1 225 . 1 1 21 21 PRO HG2 H 1 2.218 0.009 . 2 . . . . 66 PRO HG* . 7190 1 226 . 1 1 21 21 PRO HG3 H 1 1.928 0.007 . 1 . . . . 66 PRO HG* . 7190 1 227 . 1 1 21 21 PRO HD2 H 1 3.796 0.007 . 1 . . . . 66 PRO HD* . 7190 1 228 . 1 1 21 21 PRO HD3 H 1 3.796 0.007 . 1 . . . . 66 PRO HD* . 7190 1 229 . 1 1 21 21 PRO C C 13 180.26 0 . 1 . . . . 66 PRO C . 7190 1 230 . 1 1 21 21 PRO CA C 13 66.688 0.044 . 1 . . . . 66 PRO CA . 7190 1 231 . 1 1 21 21 PRO CB C 13 30.666 0.106 . 1 . . . . 66 PRO CB . 7190 1 232 . 1 1 21 21 PRO CG C 13 28.383 0.102 . 1 . . . . 66 PRO CG . 7190 1 233 . 1 1 21 21 PRO CD C 13 48.96 0.027 . 1 . . . . 66 PRO CD . 7190 1 234 . 1 1 22 22 GLU H H 1 8.34 0.012 . 1 . . . . 67 GLU H . 7190 1 235 . 1 1 22 22 GLU HA H 1 4.127 0.032 . 1 . . . . 67 GLU HA . 7190 1 236 . 1 1 22 22 GLU HB2 H 1 2.114 0.019 . 2 . . . . 67 GLU HB* . 7190 1 237 . 1 1 22 22 GLU HB3 H 1 2.094 0.018 . 1 . . . . 67 GLU HB* . 7190 1 238 . 1 1 22 22 GLU HG2 H 1 3.049 0.01 . 2 . . . . 67 GLU HG* . 7190 1 239 . 1 1 22 22 GLU HG3 H 1 2.459 0.052 . 1 . . . . 67 GLU HG* . 7190 1 240 . 1 1 22 22 GLU C C 13 179.081 0 . 1 . . . . 67 GLU C . 7190 1 241 . 1 1 22 22 GLU CA C 13 58.972 0.112 . 1 . . . . 67 GLU CA . 7190 1 242 . 1 1 22 22 GLU CB C 13 29.85 0.074 . 1 . . . . 67 GLU CB . 7190 1 243 . 1 1 22 22 GLU CG C 13 37.291 0.034 . 1 . . . . 67 GLU CG . 7190 1 244 . 1 1 22 22 GLU N N 15 118.119 0.037 . 1 . . . . 67 GLU N . 7190 1 245 . 1 1 23 23 PHE H H 1 8.93 0.019 . 1 . . . . 68 PHE H . 7190 1 246 . 1 1 23 23 PHE HA H 1 3.985 0.021 . 1 . . . . 68 PHE HA . 7190 1 247 . 1 1 23 23 PHE HB2 H 1 3.335 0.014 . 2 . . . . 68 PHE HB* . 7190 1 248 . 1 1 23 23 PHE HB3 H 1 3.233 0.023 . 1 . . . . 68 PHE HB* . 7190 1 249 . 1 1 23 23 PHE HD1 H 1 7.009 0.005 . 1 . . . . 68 PHE HD* . 7190 1 250 . 1 1 23 23 PHE HD2 H 1 7.009 0.005 . 1 . . . . 68 PHE HD* . 7190 1 251 . 1 1 23 23 PHE HE1 H 1 7.331 0.016 . 1 . . . . 68 PHE HE* . 7190 1 252 . 1 1 23 23 PHE HE2 H 1 7.331 0.016 . 1 . . . . 68 PHE HE* . 7190 1 253 . 1 1 23 23 PHE HZ H 1 7.033 0.026 . 1 . . . . 68 PHE HZ . 7190 1 254 . 1 1 23 23 PHE C C 13 176.971 0 . 1 . . . . 68 PHE C . 7190 1 255 . 1 1 23 23 PHE CA C 13 61.544 0.055 . 1 . . . . 68 PHE CA . 7190 1 256 . 1 1 23 23 PHE CB C 13 40.322 0.033 . 1 . . . . 68 PHE CB . 7190 1 257 . 1 1 23 23 PHE CD1 C 13 131.861 0.099 . 1 . . . . 68 PHE CD* . 7190 1 258 . 1 1 23 23 PHE CD2 C 13 131.861 0.099 . 1 . . . . 68 PHE CD* . 7190 1 259 . 1 1 23 23 PHE CE1 C 13 131.726 0.129 . 1 . . . . 68 PHE CE* . 7190 1 260 . 1 1 23 23 PHE CE2 C 13 131.726 0.129 . 1 . . . . 68 PHE CE* . 7190 1 261 . 1 1 23 23 PHE CZ C 13 133.231 0.032 . 1 . . . . 68 PHE CZ . 7190 1 262 . 1 1 23 23 PHE N N 15 124.068 0.045 . 1 . . . . 68 PHE N . 7190 1 263 . 1 1 24 24 LEU H H 1 8.77 0.009 . 1 . . . . 69 LEU H . 7190 1 264 . 1 1 24 24 LEU HA H 1 3.603 0.005 . 1 . . . . 69 LEU HA . 7190 1 265 . 1 1 24 24 LEU HB2 H 1 1.404 0.068 . 2 . . . . 69 LEU HB* . 7190 1 266 . 1 1 24 24 LEU HB3 H 1 1.196 0.007 . 1 . . . . 69 LEU HB* . 7190 1 267 . 1 1 24 24 LEU HG H 1 1.268 0.003 . 1 . . . . 69 LEU HG . 7190 1 268 . 1 1 24 24 LEU HD11 H 1 0.797 0.009 . 2 . . . . 69 LEU HD* . 7190 1 269 . 1 1 24 24 LEU HD12 H 1 0.797 0.009 . 2 . . . . 69 LEU HD* . 7190 1 270 . 1 1 24 24 LEU HD13 H 1 0.797 0.009 . 2 . . . . 69 LEU HD* . 7190 1 271 . 1 1 24 24 LEU HD21 H 1 0.773 0.013 . 2 . . . . 69 LEU HD* . 7190 1 272 . 1 1 24 24 LEU HD22 H 1 0.773 0.013 . 2 . . . . 69 LEU HD* . 7190 1 273 . 1 1 24 24 LEU HD23 H 1 0.773 0.013 . 2 . . . . 69 LEU HD* . 7190 1 274 . 1 1 24 24 LEU C C 13 179.202 0 . 1 . . . . 69 LEU C . 7190 1 275 . 1 1 24 24 LEU CA C 13 58.465 0.028 . 1 . . . . 69 LEU CA . 7190 1 276 . 1 1 24 24 LEU CB C 13 41.172 0.061 . 1 . . . . 69 LEU CB . 7190 1 277 . 1 1 24 24 LEU CG C 13 26.609 0.058 . 1 . . . . 69 LEU CG . 7190 1 278 . 1 1 24 24 LEU CD1 C 13 24.868 0.121 . 1 . . . . 69 LEU CD* . 7190 1 279 . 1 1 24 24 LEU CD2 C 13 24.868 0.121 . 1 . . . . 69 LEU CD* . 7190 1 280 . 1 1 24 24 LEU N N 15 120.358 0.046 . 1 . . . . 69 LEU N . 7190 1 281 . 1 1 25 25 THR H H 1 7.681 0.014 . 1 . . . . 70 THR H . 7190 1 282 . 1 1 25 25 THR HA H 1 3.851 0.011 . 1 . . . . 70 THR HA . 7190 1 283 . 1 1 25 25 THR HB H 1 4.291 0.013 . 1 . . . . 70 THR HB . 7190 1 284 . 1 1 25 25 THR HG21 H 1 1.237 0.009 . 1 . . . . 70 THR HG2 . 7190 1 285 . 1 1 25 25 THR HG22 H 1 1.237 0.009 . 1 . . . . 70 THR HG2 . 7190 1 286 . 1 1 25 25 THR HG23 H 1 1.237 0.009 . 1 . . . . 70 THR HG2 . 7190 1 287 . 1 1 25 25 THR C C 13 176.432 0 . 1 . . . . 70 THR C . 7190 1 288 . 1 1 25 25 THR CA C 13 66.35 0.072 . 1 . . . . 70 THR CA . 7190 1 289 . 1 1 25 25 THR CB C 13 68.649 0.179 . 1 . . . . 70 THR CB . 7190 1 290 . 1 1 25 25 THR CG2 C 13 21.897 0.208 . 1 . . . . 70 THR CG2 . 7190 1 291 . 1 1 25 25 THR N N 15 114.688 0.04 . 1 . . . . 70 THR N . 7190 1 292 . 1 1 26 26 MET H H 1 7.749 0.011 . 1 . . . . 71 MET H . 7190 1 293 . 1 1 26 26 MET HA H 1 3.945 0.01 . 1 . . . . 71 MET HA . 7190 1 294 . 1 1 26 26 MET HB2 H 1 2.16 0.014 . 2 . . . . 71 MET HB* . 7190 1 295 . 1 1 26 26 MET HB3 H 1 2.059 0.015 . 1 . . . . 71 MET HB* . 7190 1 296 . 1 1 26 26 MET HG2 H 1 2.264 0.065 . 1 . . . . 71 MET HG* . 7190 1 297 . 1 1 26 26 MET HE1 H 1 1.243 0.009 . 1 . . . . 71 MET HE . 7190 1 298 . 1 1 26 26 MET HE2 H 1 1.243 0.009 . 1 . . . . 71 MET HE . 7190 1 299 . 1 1 26 26 MET HE3 H 1 1.243 0.009 . 1 . . . . 71 MET HE . 7190 1 300 . 1 1 26 26 MET C C 13 178.112 0 . 1 . . . . 71 MET C . 7190 1 301 . 1 1 26 26 MET CA C 13 58.766 0.093 . 1 . . . . 71 MET CA . 7190 1 302 . 1 1 26 26 MET CB C 13 33.079 0.187 . 1 . . . . 71 MET CB . 7190 1 303 . 1 1 26 26 MET CG C 13 31.626 0.052 . 1 . . . . 71 MET CG . 7190 1 304 . 1 1 26 26 MET N N 15 121.3 0.038 . 1 . . . . 71 MET N . 7190 1 305 . 1 1 27 27 MET H H 1 8.248 0.01 . 1 . . . . 72 MET H . 7190 1 306 . 1 1 27 27 MET HA H 1 4.207 0.007 . 1 . . . . 72 MET HA . 7190 1 307 . 1 1 27 27 MET HB2 H 1 1.748 0.004 . 2 . . . . 72 MET HB* . 7190 1 308 . 1 1 27 27 MET HB3 H 1 1.754 0.029 . 1 . . . . 72 MET HB* . 7190 1 309 . 1 1 27 27 MET HG2 H 1 1.822 0.053 . 1 . . . . 72 MET HG* . 7190 1 310 . 1 1 27 27 MET HG3 H 1 1.822 0.053 . 1 . . . . 72 MET HG* . 7190 1 311 . 1 1 27 27 MET HE1 H 1 1.458 0 . 1 . . . . 72 MET HE . 7190 1 312 . 1 1 27 27 MET HE2 H 1 1.458 0 . 1 . . . . 72 MET HE . 7190 1 313 . 1 1 27 27 MET HE3 H 1 1.458 0 . 1 . . . . 72 MET HE . 7190 1 314 . 1 1 27 27 MET C C 13 178.235 0 . 1 . . . . 72 MET C . 7190 1 315 . 1 1 27 27 MET CA C 13 55.805 0.071 . 1 . . . . 72 MET CA . 7190 1 316 . 1 1 27 27 MET CB C 13 31.557 0.066 . 1 . . . . 72 MET CB . 7190 1 317 . 1 1 27 27 MET CG C 13 32.509 0.039 . 1 . . . . 72 MET CG . 7190 1 318 . 1 1 27 27 MET N N 15 116.829 0.027 . 1 . . . . 72 MET N . 7190 1 319 . 1 1 28 28 ALA H H 1 8.192 0.011 . 1 . . . . 73 ALA H . 7190 1 320 . 1 1 28 28 ALA HA H 1 4.075 0.013 . 1 . . . . 73 ALA HA . 7190 1 321 . 1 1 28 28 ALA HB1 H 1 1.448 0.011 . 1 . . . . 73 ALA HB . 7190 1 322 . 1 1 28 28 ALA HB2 H 1 1.448 0.011 . 1 . . . . 73 ALA HB . 7190 1 323 . 1 1 28 28 ALA HB3 H 1 1.448 0.011 . 1 . . . . 73 ALA HB . 7190 1 324 . 1 1 28 28 ALA C C 13 179.699 0 . 1 . . . . 73 ALA C . 7190 1 325 . 1 1 28 28 ALA CA C 13 55.022 0.041 . 1 . . . . 73 ALA CA . 7190 1 326 . 1 1 28 28 ALA CB C 13 18.25 0.056 . 1 . . . . 73 ALA CB . 7190 1 327 . 1 1 28 28 ALA N N 15 122.853 0.037 . 1 . . . . 73 ALA N . 7190 1 328 . 1 1 29 29 ARG H H 1 7.681 0.01 . 1 . . . . 74 ARG H . 7190 1 329 . 1 1 29 29 ARG HA H 1 4.198 0.013 . 1 . . . . 74 ARG HA . 7190 1 330 . 1 1 29 29 ARG HB2 H 1 1.941 0.019 . 2 . . . . 74 ARG HB* . 7190 1 331 . 1 1 29 29 ARG HB3 H 1 1.856 0.008 . 1 . . . . 74 ARG HB* . 7190 1 332 . 1 1 29 29 ARG HG2 H 1 1.752 0.013 . 2 . . . . 74 ARG HG* . 7190 1 333 . 1 1 29 29 ARG HG3 H 1 1.662 0.013 . 1 . . . . 74 ARG HG* . 7190 1 334 . 1 1 29 29 ARG HD2 H 1 3.227 0.007 . 2 . . . . 74 ARG HD* . 7190 1 335 . 1 1 29 29 ARG HD3 H 1 3.177 0.004 . 1 . . . . 74 ARG HD* . 7190 1 336 . 1 1 29 29 ARG C C 13 177.379 0 . 1 . . . . 74 ARG C . 7190 1 337 . 1 1 29 29 ARG CA C 13 57.677 0.06 . 1 . . . . 74 ARG CA . 7190 1 338 . 1 1 29 29 ARG CB C 13 30.309 0.098 . 1 . . . . 74 ARG CB . 7190 1 339 . 1 1 29 29 ARG CG C 13 27.427 0.069 . 1 . . . . 74 ARG CG . 7190 1 340 . 1 1 29 29 ARG CD C 13 43.428 0.081 . 1 . . . . 74 ARG CD . 7190 1 341 . 1 1 29 29 ARG N N 15 114.944 0.054 . 1 . . . . 74 ARG N . 7190 1 342 . 1 1 30 30 LYS H H 1 7.701 0.019 . 1 . . . . 75 LYS H . 7190 1 343 . 1 1 30 30 LYS HA H 1 4.361 0.012 . 1 . . . . 75 LYS HA . 7190 1 344 . 1 1 30 30 LYS HB2 H 1 1.934 0.011 . 2 . . . . 75 LYS HB* . 7190 1 345 . 1 1 30 30 LYS HB3 H 1 1.789 0.016 . 1 . . . . 75 LYS HB* . 7190 1 346 . 1 1 30 30 LYS HG2 H 1 1.442 0.012 . 1 . . . . 75 LYS HG* . 7190 1 347 . 1 1 30 30 LYS HG3 H 1 1.442 0.012 . 1 . . . . 75 LYS HG* . 7190 1 348 . 1 1 30 30 LYS HD2 H 1 1.662 0.009 . 1 . . . . 75 LYS HD* . 7190 1 349 . 1 1 30 30 LYS HD3 H 1 1.662 0.009 . 1 . . . . 75 LYS HD* . 7190 1 350 . 1 1 30 30 LYS HE2 H 1 2.934 0.019 . 1 . . . . 75 LYS HE* . 7190 1 351 . 1 1 30 30 LYS HE3 H 1 2.934 0.019 . 1 . . . . 75 LYS HE* . 7190 1 352 . 1 1 30 30 LYS C C 13 176.575 0 . 1 . . . . 75 LYS C . 7190 1 353 . 1 1 30 30 LYS CA C 13 56.28 0.085 . 1 . . . . 75 LYS CA . 7190 1 354 . 1 1 30 30 LYS CB C 13 33.279 0.041 . 1 . . . . 75 LYS CB . 7190 1 355 . 1 1 30 30 LYS CG C 13 24.818 0.055 . 1 . . . . 75 LYS CG . 7190 1 356 . 1 1 30 30 LYS CD C 13 28.923 0.039 . 1 . . . . 75 LYS CD . 7190 1 357 . 1 1 30 30 LYS CE C 13 42.022 0.066 . 1 . . . . 75 LYS CE . 7190 1 358 . 1 1 30 30 LYS N N 15 117.554 0.029 . 1 . . . . 75 LYS N . 7190 1 359 . 1 1 31 31 MET H H 1 7.857 0.012 . 1 . . . . 76 MET H . 7190 1 360 . 1 1 31 31 MET HA H 1 4.436 0.012 . 1 . . . . 76 MET HA . 7190 1 361 . 1 1 31 31 MET HB2 H 1 2.212 0.006 . 2 . . . . 76 MET HB* . 7190 1 362 . 1 1 31 31 MET HB3 H 1 2.102 0.084 . 1 . . . . 76 MET HB* . 7190 1 363 . 1 1 31 31 MET HG2 H 1 2.567 0.019 . 2 . . . . 76 MET HG* . 7190 1 364 . 1 1 31 31 MET HG3 H 1 2.548 0.021 . 1 . . . . 76 MET HG* . 7190 1 365 . 1 1 31 31 MET C C 13 175.908 0 . 1 . . . . 76 MET C . 7190 1 366 . 1 1 31 31 MET CA C 13 55.703 0.058 . 1 . . . . 76 MET CA . 7190 1 367 . 1 1 31 31 MET CB C 13 32.752 0.143 . 1 . . . . 76 MET CB . 7190 1 368 . 1 1 31 31 MET CG C 13 32.231 0.063 . 1 . . . . 76 MET CG . 7190 1 369 . 1 1 31 31 MET N N 15 118.468 0.025 . 1 . . . . 76 MET N . 7190 1 370 . 1 1 32 32 LYS H H 1 8.368 0.039 . 1 . . . . 77 LYS H . 7190 1 371 . 1 1 32 32 LYS HA H 1 4.347 0.021 . 1 . . . . 77 LYS HA . 7190 1 372 . 1 1 32 32 LYS HB2 H 1 1.877 0.014 . 2 . . . . 77 LYS HB* . 7190 1 373 . 1 1 32 32 LYS HB3 H 1 1.766 0.047 . 1 . . . . 77 LYS HB* . 7190 1 374 . 1 1 32 32 LYS HG2 H 1 1.444 0.018 . 1 . . . . 77 LYS HG* . 7190 1 375 . 1 1 32 32 LYS HG3 H 1 1.444 0.018 . 1 . . . . 77 LYS HG* . 7190 1 376 . 1 1 32 32 LYS HE2 H 1 3.004 0.002 . 1 . . . . 77 LYS HE* . 7190 1 377 . 1 1 32 32 LYS HE3 H 1 3.004 0.002 . 1 . . . . 77 LYS HE* . 7190 1 378 . 1 1 32 32 LYS C C 13 176.899 0 . 1 . . . . 77 LYS C . 7190 1 379 . 1 1 32 32 LYS CA C 13 56.375 0.067 . 1 . . . . 77 LYS CA . 7190 1 380 . 1 1 32 32 LYS CB C 13 32.986 0.015 . 1 . . . . 77 LYS CB . 7190 1 381 . 1 1 32 32 LYS CG C 13 24.73 0 . 1 . . . . 77 LYS CG . 7190 1 382 . 1 1 32 32 LYS CE C 13 42.074 0.027 . 1 . . . . 77 LYS CE . 7190 1 383 . 1 1 32 32 LYS N N 15 120.615 0.243 . 1 . . . . 77 LYS N . 7190 1 384 . 1 1 33 33 ASP H H 1 8.49 0.009 . 1 . . . . 78 ASP H . 7190 1 385 . 1 1 33 33 ASP HA H 1 4.559 0.005 . 1 . . . . 78 ASP HA . 7190 1 386 . 1 1 33 33 ASP HB2 H 1 2.746 0.008 . 2 . . . . 78 ASP HB* . 7190 1 387 . 1 1 33 33 ASP HB3 H 1 2.713 0.016 . 1 . . . . 78 ASP HB* . 7190 1 388 . 1 1 33 33 ASP C C 13 176.407 0 . 1 . . . . 78 ASP C . 7190 1 389 . 1 1 33 33 ASP CA C 13 55.132 0.055 . 1 . . . . 78 ASP CA . 7190 1 390 . 1 1 33 33 ASP CB C 13 40.901 0.077 . 1 . . . . 78 ASP CB . 7190 1 391 . 1 1 33 33 ASP N N 15 119.816 0.031 . 1 . . . . 78 ASP N . 7190 1 392 . 1 1 34 34 THR H H 1 7.793 0.012 . 1 . . . . 79 THR H . 7190 1 393 . 1 1 34 34 THR HA H 1 4.327 0.016 . 1 . . . . 79 THR HA . 7190 1 394 . 1 1 34 34 THR HB H 1 4.345 0.004 . 1 . . . . 79 THR HB . 7190 1 395 . 1 1 34 34 THR HG21 H 1 1.182 0.008 . 1 . . . . 79 THR HG2 . 7190 1 396 . 1 1 34 34 THR HG22 H 1 1.182 0.008 . 1 . . . . 79 THR HG2 . 7190 1 397 . 1 1 34 34 THR HG23 H 1 1.182 0.008 . 1 . . . . 79 THR HG2 . 7190 1 398 . 1 1 34 34 THR C C 13 174.577 0 . 1 . . . . 79 THR C . 7190 1 399 . 1 1 34 34 THR CA C 13 61.723 0.106 . 1 . . . . 79 THR CA . 7190 1 400 . 1 1 34 34 THR CB C 13 69.323 0.13 . 1 . . . . 79 THR CB . 7190 1 401 . 1 1 34 34 THR CG2 C 13 21.625 0.079 . 1 . . . . 79 THR CG2 . 7190 1 402 . 1 1 34 34 THR N N 15 111.017 0.045 . 1 . . . . 79 THR N . 7190 1 403 . 1 1 35 35 ASP H H 1 8.156 0.011 . 1 . . . . 80 ASP H . 7190 1 404 . 1 1 35 35 ASP HA H 1 4.72 0 . 1 . . . . 80 ASP HA . 7190 1 405 . 1 1 35 35 ASP HB2 H 1 2.903 0 . 2 . . . . 80 ASP HB* . 7190 1 406 . 1 1 35 35 ASP HB3 H 1 2.718 0.007 . 1 . . . . 80 ASP HB* . 7190 1 407 . 1 1 35 35 ASP C C 13 176.108 0 . 1 . . . . 80 ASP C . 7190 1 408 . 1 1 35 35 ASP CA C 13 54.891 0.069 . 1 . . . . 80 ASP CA . 7190 1 409 . 1 1 35 35 ASP CB C 13 41.44 0.085 . 1 . . . . 80 ASP CB . 7190 1 410 . 1 1 35 35 ASP N N 15 122.871 0.03 . 1 . . . . 80 ASP N . 7190 1 411 . 1 1 36 36 SER H H 1 8.367 0.008 . 1 . . . . 81 SER H . 7190 1 412 . 1 1 36 36 SER HA H 1 4.692 0.02 . 1 . . . . 81 SER HA . 7190 1 413 . 1 1 36 36 SER HB2 H 1 4.133 0.011 . 2 . . . . 81 SER HB* . 7190 1 414 . 1 1 36 36 SER HB3 H 1 4.005 0.015 . 1 . . . . 81 SER HB* . 7190 1 415 . 1 1 36 36 SER C C 13 175.114 0 . 1 . . . . 81 SER C . 7190 1 416 . 1 1 36 36 SER CA C 13 57.289 0.07 . 1 . . . . 81 SER CA . 7190 1 417 . 1 1 36 36 SER CB C 13 64.65 0.064 . 1 . . . . 81 SER CB . 7190 1 418 . 1 1 36 36 SER N N 15 115.773 0.034 . 1 . . . . 81 SER N . 7190 1 419 . 1 1 37 37 GLU H H 1 8.896 0.007 . 1 . . . . 82 GLU H . 7190 1 420 . 1 1 37 37 GLU HA H 1 3.999 0.007 . 1 . . . . 82 GLU HA . 7190 1 421 . 1 1 37 37 GLU HB2 H 1 2.194 0.008 . 2 . . . . 82 GLU HB* . 7190 1 422 . 1 1 37 37 GLU HB3 H 1 2.096 0.008 . 1 . . . . 82 GLU HB* . 7190 1 423 . 1 1 37 37 GLU HG2 H 1 2.428 0.016 . 2 . . . . 82 GLU HG* . 7190 1 424 . 1 1 37 37 GLU HG3 H 1 2.331 0.024 . 1 . . . . 82 GLU HG* . 7190 1 425 . 1 1 37 37 GLU C C 13 178.437 0 . 1 . . . . 82 GLU C . 7190 1 426 . 1 1 37 37 GLU CA C 13 60.025 0.123 . 1 . . . . 82 GLU CA . 7190 1 427 . 1 1 37 37 GLU CB C 13 29.818 0.133 . 1 . . . . 82 GLU CB . 7190 1 428 . 1 1 37 37 GLU CG C 13 37.136 0.047 . 1 . . . . 82 GLU CG . 7190 1 429 . 1 1 37 37 GLU N N 15 124.24 0.057 . 1 . . . . 82 GLU N . 7190 1 430 . 1 1 38 38 GLU H H 1 8.629 0.01 . 1 . . . . 83 GLU H . 7190 1 431 . 1 1 38 38 GLU HA H 1 4.05 0.013 . 1 . . . . 83 GLU HA . 7190 1 432 . 1 1 38 38 GLU HB2 H 1 2.05 0.005 . 2 . . . . 83 GLU HB* . 7190 1 433 . 1 1 38 38 GLU HB3 H 1 2.026 0.021 . 1 . . . . 83 GLU HB* . 7190 1 434 . 1 1 38 38 GLU HG2 H 1 2.344 0.008 . 1 . . . . 83 GLU HG* . 7190 1 435 . 1 1 38 38 GLU HG3 H 1 2.344 0.008 . 1 . . . . 83 GLU HG* . 7190 1 436 . 1 1 38 38 GLU C C 13 179.07 0 . 1 . . . . 83 GLU C . 7190 1 437 . 1 1 38 38 GLU CA C 13 59.847 0.027 . 1 . . . . 83 GLU CA . 7190 1 438 . 1 1 38 38 GLU CB C 13 29.143 0.057 . 1 . . . . 83 GLU CB . 7190 1 439 . 1 1 38 38 GLU CG C 13 36.196 0.088 . 1 . . . . 83 GLU CG . 7190 1 440 . 1 1 38 38 GLU N N 15 118.69 0.019 . 1 . . . . 83 GLU N . 7190 1 441 . 1 1 39 39 GLU H H 1 7.983 0.017 . 1 . . . . 84 GLU H . 7190 1 442 . 1 1 39 39 GLU HA H 1 4.142 0.012 . 1 . . . . 84 GLU HA . 7190 1 443 . 1 1 39 39 GLU HB2 H 1 2.256 0.007 . 2 . . . . 84 GLU HB* . 7190 1 444 . 1 1 39 39 GLU HB3 H 1 2.102 0.017 . 1 . . . . 84 GLU HB* . 7190 1 445 . 1 1 39 39 GLU HG2 H 1 2.372 0.015 . 1 . . . . 84 GLU HG* . 7190 1 446 . 1 1 39 39 GLU HG3 H 1 2.372 0.015 . 1 . . . . 84 GLU HG* . 7190 1 447 . 1 1 39 39 GLU C C 13 179.88 0 . 1 . . . . 84 GLU C . 7190 1 448 . 1 1 39 39 GLU CA C 13 59.501 0.064 . 1 . . . . 84 GLU CA . 7190 1 449 . 1 1 39 39 GLU CB C 13 29.648 0.066 . 1 . . . . 84 GLU CB . 7190 1 450 . 1 1 39 39 GLU CG C 13 37.11 0.055 . 1 . . . . 84 GLU CG . 7190 1 451 . 1 1 39 39 GLU N N 15 119.804 0.024 . 1 . . . . 84 GLU N . 7190 1 452 . 1 1 40 40 ILE H H 1 8.071 0.011 . 1 . . . . 85 ILE H . 7190 1 453 . 1 1 40 40 ILE HA H 1 4.036 0.008 . 1 . . . . 85 ILE HA . 7190 1 454 . 1 1 40 40 ILE HB H 1 2.208 0.009 . 1 . . . . 85 ILE HB . 7190 1 455 . 1 1 40 40 ILE HG12 H 1 1.247 0.011 . 2 . . . . 85 ILE HG* . 7190 1 456 . 1 1 40 40 ILE HG13 H 1 1.796 0.007 . 2 . . . . 85 ILE HG* . 7190 1 457 . 1 1 40 40 ILE HG21 H 1 1.208 0.015 . 1 . . . . 85 ILE HG2 . 7190 1 458 . 1 1 40 40 ILE HG22 H 1 1.208 0.015 . 1 . . . . 85 ILE HG2 . 7190 1 459 . 1 1 40 40 ILE HG23 H 1 1.208 0.015 . 1 . . . . 85 ILE HG2 . 7190 1 460 . 1 1 40 40 ILE HD11 H 1 0.815 0.075 . 1 . . . . 85 ILE HD1 . 7190 1 461 . 1 1 40 40 ILE HD12 H 1 0.815 0.075 . 1 . . . . 85 ILE HD1 . 7190 1 462 . 1 1 40 40 ILE HD13 H 1 0.815 0.075 . 1 . . . . 85 ILE HD1 . 7190 1 463 . 1 1 40 40 ILE C C 13 178.297 0 . 1 . . . . 85 ILE C . 7190 1 464 . 1 1 40 40 ILE CA C 13 64.627 0.035 . 1 . . . . 85 ILE CA . 7190 1 465 . 1 1 40 40 ILE CB C 13 37.353 0.084 . 1 . . . . 85 ILE CB . 7190 1 466 . 1 1 40 40 ILE CG1 C 13 29.033 0.035 . 1 . . . . 85 ILE CG1 . 7190 1 467 . 1 1 40 40 ILE CG2 C 13 18.938 0.056 . 1 . . . . 85 ILE CG2 . 7190 1 468 . 1 1 40 40 ILE CD1 C 13 12.587 0.098 . 1 . . . . 85 ILE CD1 . 7190 1 469 . 1 1 40 40 ILE N N 15 121.996 0.038 . 1 . . . . 85 ILE N . 7190 1 470 . 1 1 41 41 ARG H H 1 8.658 0.013 . 1 . . . . 86 ARG H . 7190 1 471 . 1 1 41 41 ARG HA H 1 4.087 0.008 . 1 . . . . 86 ARG HA . 7190 1 472 . 1 1 41 41 ARG HB2 H 1 1.929 0.024 . 2 . . . . 86 ARG HB* . 7190 1 473 . 1 1 41 41 ARG HB3 H 1 1.836 0.008 . 1 . . . . 86 ARG HB* . 7190 1 474 . 1 1 41 41 ARG HG2 H 1 1.508 0.009 . 2 . . . . 86 ARG HG* . 7190 1 475 . 1 1 41 41 ARG HG3 H 1 1.354 0.031 . 1 . . . . 86 ARG HG* . 7190 1 476 . 1 1 41 41 ARG HD2 H 1 2.895 0.02 . 2 . . . . 86 ARG HD* . 7190 1 477 . 1 1 41 41 ARG HD3 H 1 2.828 0.025 . 1 . . . . 86 ARG HD* . 7190 1 478 . 1 1 41 41 ARG C C 13 179.008 0 . 1 . . . . 86 ARG C . 7190 1 479 . 1 1 41 41 ARG CA C 13 59.997 0.071 . 1 . . . . 86 ARG CA . 7190 1 480 . 1 1 41 41 ARG CB C 13 29.664 0.046 . 1 . . . . 86 ARG CB . 7190 1 481 . 1 1 41 41 ARG CG C 13 28.024 0.085 . 1 . . . . 86 ARG CG . 7190 1 482 . 1 1 41 41 ARG CD C 13 42.856 0.147 . 1 . . . . 86 ARG CD . 7190 1 483 . 1 1 41 41 ARG N N 15 121.831 0.044 . 1 . . . . 86 ARG N . 7190 1 484 . 1 1 42 42 GLU H H 1 8.05 0.01 . 1 . . . . 87 GLU H . 7190 1 485 . 1 1 42 42 GLU HA H 1 4.164 0.011 . 1 . . . . 87 GLU HA . 7190 1 486 . 1 1 42 42 GLU HB2 H 1 2.159 0.008 . 2 . . . . 87 GLU HB* . 7190 1 487 . 1 1 42 42 GLU HB3 H 1 2.078 0.019 . 1 . . . . 87 GLU HB* . 7190 1 488 . 1 1 42 42 GLU HG2 H 1 2.353 0.009 . 1 . . . . 87 GLU HG* . 7190 1 489 . 1 1 42 42 GLU HG3 H 1 2.353 0.009 . 1 . . . . 87 GLU HG* . 7190 1 490 . 1 1 42 42 GLU C C 13 178.369 0 . 1 . . . . 87 GLU C . 7190 1 491 . 1 1 42 42 GLU CA C 13 59.106 0.073 . 1 . . . . 87 GLU CA . 7190 1 492 . 1 1 42 42 GLU CB C 13 28.992 0.166 . 1 . . . . 87 GLU CB . 7190 1 493 . 1 1 42 42 GLU CG C 13 35.74 0.061 . 1 . . . . 87 GLU CG . 7190 1 494 . 1 1 42 42 GLU N N 15 119.509 0.027 . 1 . . . . 87 GLU N . 7190 1 495 . 1 1 43 43 ALA H H 1 7.886 0.011 . 1 . . . . 88 ALA H . 7190 1 496 . 1 1 43 43 ALA HA H 1 4.155 0.01 . 1 . . . . 88 ALA HA . 7190 1 497 . 1 1 43 43 ALA HB1 H 1 1.793 0.016 . 1 . . . . 88 ALA HB . 7190 1 498 . 1 1 43 43 ALA HB2 H 1 1.793 0.016 . 1 . . . . 88 ALA HB . 7190 1 499 . 1 1 43 43 ALA HB3 H 1 1.793 0.016 . 1 . . . . 88 ALA HB . 7190 1 500 . 1 1 43 43 ALA C C 13 179.183 0 . 1 . . . . 88 ALA C . 7190 1 501 . 1 1 43 43 ALA CA C 13 55.075 0.04 . 1 . . . . 88 ALA CA . 7190 1 502 . 1 1 43 43 ALA CB C 13 17.629 0.056 . 1 . . . . 88 ALA CB . 7190 1 503 . 1 1 43 43 ALA N N 15 121.955 0.028 . 1 . . . . 88 ALA N . 7190 1 504 . 1 1 44 44 PHE H H 1 8.411 0.011 . 1 . . . . 89 PHE H . 7190 1 505 . 1 1 44 44 PHE HA H 1 3.252 0.017 . 1 . . . . 89 PHE HA . 7190 1 506 . 1 1 44 44 PHE HB2 H 1 3.317 0.013 . 2 . . . . 89 PHE HB* . 7190 1 507 . 1 1 44 44 PHE HB3 H 1 2.969 0.008 . 1 . . . . 89 PHE HB* . 7190 1 508 . 1 1 44 44 PHE HD1 H 1 6.595 0.007 . 1 . . . . 89 PHE HD* . 7190 1 509 . 1 1 44 44 PHE HD2 H 1 6.595 0.007 . 1 . . . . 89 PHE HD* . 7190 1 510 . 1 1 44 44 PHE HE1 H 1 7.009 0.007 . 1 . . . . 89 PHE HE* . 7190 1 511 . 1 1 44 44 PHE HE2 H 1 7.009 0.007 . 1 . . . . 89 PHE HE* . 7190 1 512 . 1 1 44 44 PHE C C 13 176.432 0 . 1 . . . . 89 PHE C . 7190 1 513 . 1 1 44 44 PHE CA C 13 61.91 0.04 . 1 . . . . 89 PHE CA . 7190 1 514 . 1 1 44 44 PHE CB C 13 39.36 0.078 . 1 . . . . 89 PHE CB . 7190 1 515 . 1 1 44 44 PHE CD1 C 13 131.743 0.162 . 1 . . . . 89 PHE CD* . 7190 1 516 . 1 1 44 44 PHE CD2 C 13 131.743 0.162 . 1 . . . . 89 PHE CD* . 7190 1 517 . 1 1 44 44 PHE CE1 C 13 131.362 0.209 . 1 . . . . 89 PHE CE* . 7190 1 518 . 1 1 44 44 PHE CE2 C 13 131.362 0.209 . 1 . . . . 89 PHE CE* . 7190 1 519 . 1 1 44 44 PHE N N 15 118.636 0.042 . 1 . . . . 89 PHE N . 7190 1 520 . 1 1 45 45 ARG H H 1 7.828 0.011 . 1 . . . . 90 ARG H . 7190 1 521 . 1 1 45 45 ARG HA H 1 3.56 0.746 . 1 . . . . 90 ARG HA . 7190 1 522 . 1 1 45 45 ARG HB2 H 1 1.951 0.022 . 1 . . . . 90 ARG HB* . 7190 1 523 . 1 1 45 45 ARG HB3 H 1 1.951 0.022 . 1 . . . . 90 ARG HB* . 7190 1 524 . 1 1 45 45 ARG HG2 H 1 1.89 0.009 . 2 . . . . 90 ARG HG* . 7190 1 525 . 1 1 45 45 ARG HG3 H 1 1.679 0.042 . 1 . . . . 90 ARG HG* . 7190 1 526 . 1 1 45 45 ARG HD2 H 1 3.226 0.027 . 1 . . . . 90 ARG HD* . 7190 1 527 . 1 1 45 45 ARG HD3 H 1 3.226 0.027 . 1 . . . . 90 ARG HD* . 7190 1 528 . 1 1 45 45 ARG C C 13 178.342 0 . 1 . . . . 90 ARG C . 7190 1 529 . 1 1 45 45 ARG CA C 13 59.117 0.051 . 1 . . . . 90 ARG CA . 7190 1 530 . 1 1 45 45 ARG CB C 13 30.242 0.115 . 1 . . . . 90 ARG CB . 7190 1 531 . 1 1 45 45 ARG CG C 13 27.833 0.046 . 1 . . . . 90 ARG CG . 7190 1 532 . 1 1 45 45 ARG CD C 13 43.511 0 . 1 . . . . 90 ARG CD . 7190 1 533 . 1 1 45 45 ARG N N 15 116.44 0.025 . 1 . . . . 90 ARG N . 7190 1 534 . 1 1 46 46 VAL H H 1 7.553 0.018 . 1 . . . . 91 VAL H . 7190 1 535 . 1 1 46 46 VAL HA H 1 3.472 0.013 . 1 . . . . 91 VAL HA . 7190 1 536 . 1 1 46 46 VAL HB H 1 1.97 0.004 . 1 . . . . 91 VAL HB . 7190 1 537 . 1 1 46 46 VAL HG11 H 1 0.965 0.009 . 2 . . . . 91 VAL HG* . 7190 1 538 . 1 1 46 46 VAL HG12 H 1 0.965 0.009 . 2 . . . . 91 VAL HG* . 7190 1 539 . 1 1 46 46 VAL HG13 H 1 0.965 0.009 . 2 . . . . 91 VAL HG* . 7190 1 540 . 1 1 46 46 VAL HG21 H 1 0.605 0.005 . 2 . . . . 91 VAL HG* . 7190 1 541 . 1 1 46 46 VAL HG22 H 1 0.605 0.005 . 2 . . . . 91 VAL HG* . 7190 1 542 . 1 1 46 46 VAL HG23 H 1 0.605 0.005 . 2 . . . . 91 VAL HG* . 7190 1 543 . 1 1 46 46 VAL C C 13 177.891 0 . 1 . . . . 91 VAL C . 7190 1 544 . 1 1 46 46 VAL CA C 13 65.69 0.029 . 1 . . . . 91 VAL CA . 7190 1 545 . 1 1 46 46 VAL CB C 13 31.549 0.063 . 1 . . . . 91 VAL CB . 7190 1 546 . 1 1 46 46 VAL CG1 C 13 22.721 0.061 . 2 . . . . 91 VAL CG* . 7190 1 547 . 1 1 46 46 VAL CG2 C 13 20.986 0.052 . 2 . . . . 91 VAL CG* . 7190 1 548 . 1 1 46 46 VAL N N 15 118.09 0.027 . 1 . . . . 91 VAL N . 7190 1 549 . 1 1 47 47 PHE H H 1 7.485 0.025 . 1 . . . . 92 PHE H . 7190 1 550 . 1 1 47 47 PHE HA H 1 4.369 0.011 . 1 . . . . 92 PHE HA . 7190 1 551 . 1 1 47 47 PHE HB2 H 1 2.782 0.009 . 2 . . . . 92 PHE HB* . 7190 1 552 . 1 1 47 47 PHE HB3 H 1 2.65 0.03 . 1 . . . . 92 PHE HB* . 7190 1 553 . 1 1 47 47 PHE HD1 H 1 7.293 0.011 . 1 . . . . 92 PHE HD* . 7190 1 554 . 1 1 47 47 PHE HD2 H 1 7.293 0.011 . 1 . . . . 92 PHE HD* . 7190 1 555 . 1 1 47 47 PHE HE1 H 1 7.443 0.063 . 1 . . . . 92 PHE HE* . 7190 1 556 . 1 1 47 47 PHE HE2 H 1 7.443 0.063 . 1 . . . . 92 PHE HE* . 7190 1 557 . 1 1 47 47 PHE C C 13 177.343 0 . 1 . . . . 92 PHE C . 7190 1 558 . 1 1 47 47 PHE CA C 13 59.326 0.041 . 1 . . . . 92 PHE CA . 7190 1 559 . 1 1 47 47 PHE CB C 13 39.987 0.072 . 1 . . . . 92 PHE CB . 7190 1 560 . 1 1 47 47 PHE CD1 C 13 131.345 0.213 . 1 . . . . 92 PHE CD* . 7190 1 561 . 1 1 47 47 PHE CD2 C 13 131.345 0.213 . 1 . . . . 92 PHE CD* . 7190 1 562 . 1 1 47 47 PHE CE1 C 13 131.207 0.132 . 1 . . . . 92 PHE CE* . 7190 1 563 . 1 1 47 47 PHE CE2 C 13 131.207 0.132 . 1 . . . . 92 PHE CE* . 7190 1 564 . 1 1 47 47 PHE N N 15 116.484 0.036 . 1 . . . . 92 PHE N . 7190 1 565 . 1 1 48 48 ASP H H 1 7.887 0.01 . 1 . . . . 93 ASP H . 7190 1 566 . 1 1 48 48 ASP HA H 1 4.525 0.005 . 1 . . . . 93 ASP HA . 7190 1 567 . 1 1 48 48 ASP HB2 H 1 2.432 0.01 . 2 . . . . 93 ASP HB* . 7190 1 568 . 1 1 48 48 ASP HB3 H 1 1.472 0.009 . 1 . . . . 93 ASP HB* . 7190 1 569 . 1 1 48 48 ASP C C 13 177.167 0 . 1 . . . . 93 ASP C . 7190 1 570 . 1 1 48 48 ASP CA C 13 52.421 0.089 . 1 . . . . 93 ASP CA . 7190 1 571 . 1 1 48 48 ASP CB C 13 38.334 0.121 . 1 . . . . 93 ASP CB . 7190 1 572 . 1 1 48 48 ASP N N 15 118.863 0.046 . 1 . . . . 93 ASP N . 7190 1 573 . 1 1 49 49 LYS H H 1 7.675 0.018 . 1 . . . . 94 LYS H . 7190 1 574 . 1 1 49 49 LYS HA H 1 3.93 0.01 . 1 . . . . 94 LYS HA . 7190 1 575 . 1 1 49 49 LYS HB2 H 1 1.852 0.008 . 2 . . . . 94 LYS HB* . 7190 1 576 . 1 1 49 49 LYS HB3 H 1 1.776 0.049 . 1 . . . . 94 LYS HB* . 7190 1 577 . 1 1 49 49 LYS HG2 H 1 1.55 0.02 . 2 . . . . 94 LYS HG* . 7190 1 578 . 1 1 49 49 LYS HG3 H 1 1.471 0.034 . 1 . . . . 94 LYS HG* . 7190 1 579 . 1 1 49 49 LYS HD2 H 1 1.666 0.012 . 2 . . . . 94 LYS HD* . 7190 1 580 . 1 1 49 49 LYS HE2 H 1 3.003 0.005 . 2 . . . . 94 LYS HE* . 7190 1 581 . 1 1 49 49 LYS HE3 H 1 2.917 0.003 . 1 . . . . 94 LYS HE* . 7190 1 582 . 1 1 49 49 LYS C C 13 178.218 0 . 1 . . . . 94 LYS C . 7190 1 583 . 1 1 49 49 LYS CA C 13 59.147 0.141 . 1 . . . . 94 LYS CA . 7190 1 584 . 1 1 49 49 LYS CB C 13 32.909 0.074 . 1 . . . . 94 LYS CB . 7190 1 585 . 1 1 49 49 LYS CG C 13 24.759 0.064 . 1 . . . . 94 LYS CG . 7190 1 586 . 1 1 49 49 LYS CE C 13 41.908 0.052 . 1 . . . . 94 LYS CE . 7190 1 587 . 1 1 49 49 LYS N N 15 125.416 0.042 . 1 . . . . 94 LYS N . 7190 1 588 . 1 1 50 50 ASP H H 1 8.108 0.014 . 1 . . . . 95 ASP H . 7190 1 589 . 1 1 50 50 ASP HA H 1 4.644 0.024 . 1 . . . . 95 ASP HA . 7190 1 590 . 1 1 50 50 ASP HB2 H 1 3.041 0.008 . 2 . . . . 95 ASP HB* . 7190 1 591 . 1 1 50 50 ASP HB3 H 1 2.72 0.048 . 1 . . . . 95 ASP HB* . 7190 1 592 . 1 1 50 50 ASP C C 13 177.857 0 . 1 . . . . 95 ASP C . 7190 1 593 . 1 1 50 50 ASP CA C 13 52.8 0.122 . 1 . . . . 95 ASP CA . 7190 1 594 . 1 1 50 50 ASP CB C 13 39.827 0.05 . 1 . . . . 95 ASP CB . 7190 1 595 . 1 1 50 50 ASP N N 15 114.018 0.061 . 1 . . . . 95 ASP N . 7190 1 596 . 1 1 51 51 GLY H H 1 7.67 0.012 . 1 . . . . 96 GLY H . 7190 1 597 . 1 1 51 51 GLY HA2 H 1 3.892 0.008 . 2 . . . . 96 GLY HA* . 7190 1 598 . 1 1 51 51 GLY HA3 H 1 3.825 0.028 . 1 . . . . 96 GLY HA* . 7190 1 599 . 1 1 51 51 GLY C C 13 174.916 0 . 1 . . . . 96 GLY C . 7190 1 600 . 1 1 51 51 GLY CA C 13 47.159 0.048 . 1 . . . . 96 GLY CA . 7190 1 601 . 1 1 51 51 GLY N N 15 108.374 0.029 . 1 . . . . 96 GLY N . 7190 1 602 . 1 1 52 52 ASN H H 1 8.081 0.012 . 1 . . . . 97 ASN H . 7190 1 603 . 1 1 52 52 ASN HA H 1 4.601 0.022 . 1 . . . . 97 ASN HA . 7190 1 604 . 1 1 52 52 ASN HB2 H 1 3.197 0.056 . 2 . . . . 97 ASN HB* . 7190 1 605 . 1 1 52 52 ASN HB3 H 1 2.623 0.013 . 1 . . . . 97 ASN HB* . 7190 1 606 . 1 1 52 52 ASN HD21 H 1 7.795 0.01 . 2 . . . . 97 ASN HD* . 7190 1 607 . 1 1 52 52 ASN HD22 H 1 6.527 0.01 . 2 . . . . 97 ASN HD* . 7190 1 608 . 1 1 52 52 ASN C C 13 176.169 0 . 1 . . . . 97 ASN C . 7190 1 609 . 1 1 52 52 ASN CA C 13 52.792 0.112 . 1 . . . . 97 ASN CA . 7190 1 610 . 1 1 52 52 ASN CB C 13 37.704 0.107 . 1 . . . . 97 ASN CB . 7190 1 611 . 1 1 52 52 ASN N N 15 118.295 0.029 . 1 . . . . 97 ASN N . 7190 1 612 . 1 1 52 52 ASN ND2 N 15 114.667 0.063 . 1 . . . . 97 ASN ND2 . 7190 1 613 . 1 1 53 53 GLY H H 1 10.577 0.01 . 1 . . . . 98 GLY H . 7190 1 614 . 1 1 53 53 GLY HA2 H 1 4.159 0.009 . 2 . . . . 98 GLY HA* . 7190 1 615 . 1 1 53 53 GLY HA3 H 1 3.512 0.01 . 1 . . . . 98 GLY HA* . 7190 1 616 . 1 1 53 53 GLY C C 13 172.719 0 . 1 . . . . 98 GLY C . 7190 1 617 . 1 1 53 53 GLY CA C 13 45.386 0.043 . 1 . . . . 98 GLY CA . 7190 1 618 . 1 1 53 53 GLY N N 15 112.54 0.033 . 1 . . . . 98 GLY N . 7190 1 619 . 1 1 54 54 TYR H H 1 7.493 0.011 . 1 . . . . 99 TYR H . 7190 1 620 . 1 1 54 54 TYR HA H 1 5.211 0.014 . 1 . . . . 99 TYR HA . 7190 1 621 . 1 1 54 54 TYR HB2 H 1 2.907 0.012 . 2 . . . . 99 TYR HB* . 7190 1 622 . 1 1 54 54 TYR HB3 H 1 2.586 0.008 . 1 . . . . 99 TYR HB* . 7190 1 623 . 1 1 54 54 TYR HD1 H 1 6.849 0.006 . 1 . . . . 99 TYR HD* . 7190 1 624 . 1 1 54 54 TYR HD2 H 1 6.849 0.006 . 1 . . . . 99 TYR HD* . 7190 1 625 . 1 1 54 54 TYR HE1 H 1 6.849 0.005 . 1 . . . . 99 TYR HE* . 7190 1 626 . 1 1 54 54 TYR HE2 H 1 6.849 0.005 . 1 . . . . 99 TYR HE* . 7190 1 627 . 1 1 54 54 TYR CA C 13 55.989 0.021 . 1 . . . . 99 TYR CA . 7190 1 628 . 1 1 54 54 TYR CB C 13 41.747 0.049 . 1 . . . . 99 TYR CB . 7190 1 629 . 1 1 54 54 TYR CD1 C 13 117.849 0.015 . 1 . . . . 99 TYR CD* . 7190 1 630 . 1 1 54 54 TYR CD2 C 13 117.849 0.015 . 1 . . . . 99 TYR CD* . 7190 1 631 . 1 1 54 54 TYR CE1 C 13 134.009 0.035 . 1 . . . . 99 TYR CE* . 7190 1 632 . 1 1 54 54 TYR CE2 C 13 134.009 0.035 . 1 . . . . 99 TYR CE* . 7190 1 633 . 1 1 54 54 TYR N N 15 115.245 0.028 . 1 . . . . 99 TYR N . 7190 1 634 . 1 1 55 55 ILE H H 1 10.142 0.022 . 1 . . . . 100 ILE H . 7190 1 635 . 1 1 55 55 ILE HA H 1 4.903 0.012 . 1 . . . . 100 ILE HA . 7190 1 636 . 1 1 55 55 ILE HB H 1 1.893 0.008 . 1 . . . . 100 ILE HB . 7190 1 637 . 1 1 55 55 ILE HG12 H 1 0.404 0.008 . 2 . . . . 100 ILE HG* . 7190 1 638 . 1 1 55 55 ILE HG13 H 1 1.061 0.159 . 2 . . . . 100 ILE HG* . 7190 1 639 . 1 1 55 55 ILE HG21 H 1 0.884 0.008 . 1 . . . . 100 ILE HG2 . 7190 1 640 . 1 1 55 55 ILE HG22 H 1 0.884 0.008 . 1 . . . . 100 ILE HG2 . 7190 1 641 . 1 1 55 55 ILE HG23 H 1 0.884 0.008 . 1 . . . . 100 ILE HG2 . 7190 1 642 . 1 1 55 55 ILE HD11 H 1 0.235 0.008 . 1 . . . . 100 ILE HD1 . 7190 1 643 . 1 1 55 55 ILE HD12 H 1 0.235 0.008 . 1 . . . . 100 ILE HD1 . 7190 1 644 . 1 1 55 55 ILE HD13 H 1 0.235 0.008 . 1 . . . . 100 ILE HD1 . 7190 1 645 . 1 1 55 55 ILE C C 13 175.8 0 . 1 . . . . 100 ILE C . 7190 1 646 . 1 1 55 55 ILE CA C 13 59.874 0.055 . 1 . . . . 100 ILE CA . 7190 1 647 . 1 1 55 55 ILE CB C 13 38.646 0.043 . 1 . . . . 100 ILE CB . 7190 1 648 . 1 1 55 55 ILE CG1 C 13 27.28 0.075 . 1 . . . . 100 ILE CG1 . 7190 1 649 . 1 1 55 55 ILE CG2 C 13 17.958 0.072 . 1 . . . . 100 ILE CG2 . 7190 1 650 . 1 1 55 55 ILE CD1 C 13 14.446 0.064 . 1 . . . . 100 ILE CD1 . 7190 1 651 . 1 1 55 55 ILE N N 15 127.159 0.136 . 1 . . . . 100 ILE N . 7190 1 652 . 1 1 56 56 SER H H 1 9.267 0.01 . 1 . . . . 101 SER H . 7190 1 653 . 1 1 56 56 SER HA H 1 4.798 0.05 . 1 . . . . 101 SER HA . 7190 1 654 . 1 1 56 56 SER HB2 H 1 4.469 0.013 . 2 . . . . 101 SER HB* . 7190 1 655 . 1 1 56 56 SER HB3 H 1 3.988 0.006 . 1 . . . . 101 SER HB* . 7190 1 656 . 1 1 56 56 SER C C 13 174.951 0 . 1 . . . . 101 SER C . 7190 1 657 . 1 1 56 56 SER CA C 13 56.034 0.154 . 1 . . . . 101 SER CA . 7190 1 658 . 1 1 56 56 SER CB C 13 66.204 0.098 . 1 . . . . 101 SER CB . 7190 1 659 . 1 1 56 56 SER N N 15 124.322 0.054 . 1 . . . . 101 SER N . 7190 1 660 . 1 1 57 57 ALA H H 1 9.189 0.02 . 1 . . . . 102 ALA H . 7190 1 661 . 1 1 57 57 ALA HA H 1 3.99 0.024 . 1 . . . . 102 ALA HA . 7190 1 662 . 1 1 57 57 ALA HB1 H 1 1.463 0.011 . 1 . . . . 102 ALA HB . 7190 1 663 . 1 1 57 57 ALA HB2 H 1 1.463 0.011 . 1 . . . . 102 ALA HB . 7190 1 664 . 1 1 57 57 ALA HB3 H 1 1.463 0.011 . 1 . . . . 102 ALA HB . 7190 1 665 . 1 1 57 57 ALA C C 13 179.664 0 . 1 . . . . 102 ALA C . 7190 1 666 . 1 1 57 57 ALA CA C 13 56.067 0.042 . 1 . . . . 102 ALA CA . 7190 1 667 . 1 1 57 57 ALA CB C 13 17.893 0.07 . 1 . . . . 102 ALA CB . 7190 1 668 . 1 1 57 57 ALA N N 15 123.385 0.066 . 1 . . . . 102 ALA N . 7190 1 669 . 1 1 58 58 ALA H H 1 8.305 0.019 . 1 . . . . 103 ALA H . 7190 1 670 . 1 1 58 58 ALA HA H 1 4.075 0.015 . 1 . . . . 103 ALA HA . 7190 1 671 . 1 1 58 58 ALA HB1 H 1 1.447 0.016 . 1 . . . . 103 ALA HB . 7190 1 672 . 1 1 58 58 ALA HB2 H 1 1.447 0.016 . 1 . . . . 103 ALA HB . 7190 1 673 . 1 1 58 58 ALA HB3 H 1 1.447 0.016 . 1 . . . . 103 ALA HB . 7190 1 674 . 1 1 58 58 ALA C C 13 181.002 0 . 1 . . . . 103 ALA C . 7190 1 675 . 1 1 58 58 ALA CA C 13 55.095 0.095 . 1 . . . . 103 ALA CA . 7190 1 676 . 1 1 58 58 ALA CB C 13 18.467 0.112 . 1 . . . . 103 ALA CB . 7190 1 677 . 1 1 58 58 ALA N N 15 118.635 0.045 . 1 . . . . 103 ALA N . 7190 1 678 . 1 1 59 59 GLU H H 1 7.762 0.009 . 1 . . . . 104 GLU H . 7190 1 679 . 1 1 59 59 GLU HA H 1 4.163 0.013 . 1 . . . . 104 GLU HA . 7190 1 680 . 1 1 59 59 GLU HB2 H 1 2.413 0.046 . 1 . . . . 104 GLU HB* . 7190 1 681 . 1 1 59 59 GLU HB3 H 1 2.413 0.046 . 1 . . . . 104 GLU HB* . 7190 1 682 . 1 1 59 59 GLU HG2 H 1 2.533 0.033 . 1 . . . . 104 GLU HG* . 7190 1 683 . 1 1 59 59 GLU HG3 H 1 2.533 0.033 . 1 . . . . 104 GLU HG* . 7190 1 684 . 1 1 59 59 GLU C C 13 179.584 0 . 1 . . . . 104 GLU C . 7190 1 685 . 1 1 59 59 GLU CA C 13 58.89 0.123 . 1 . . . . 104 GLU CA . 7190 1 686 . 1 1 59 59 GLU CB C 13 29.739 0.06 . 1 . . . . 104 GLU CB . 7190 1 687 . 1 1 59 59 GLU CG C 13 37.679 0.074 . 1 . . . . 104 GLU CG . 7190 1 688 . 1 1 59 59 GLU N N 15 118.963 0.025 . 1 . . . . 104 GLU N . 7190 1 689 . 1 1 60 60 LEU H H 1 8.441 0.013 . 1 . . . . 105 LEU H . 7190 1 690 . 1 1 60 60 LEU HA H 1 4.041 0.013 . 1 . . . . 105 LEU HA . 7190 1 691 . 1 1 60 60 LEU HB2 H 1 1.82 0.007 . 2 . . . . 105 LEU HB* . 7190 1 692 . 1 1 60 60 LEU HB3 H 1 1.638 0.014 . 1 . . . . 105 LEU HB* . 7190 1 693 . 1 1 60 60 LEU HD11 H 1 0.783 0.018 . 2 . . . . 105 LEU HD* . 7190 1 694 . 1 1 60 60 LEU HD12 H 1 0.783 0.018 . 2 . . . . 105 LEU HD* . 7190 1 695 . 1 1 60 60 LEU HD13 H 1 0.783 0.018 . 2 . . . . 105 LEU HD* . 7190 1 696 . 1 1 60 60 LEU HD21 H 1 0.832 0.015 . 2 . . . . 105 LEU HD* . 7190 1 697 . 1 1 60 60 LEU HD22 H 1 0.832 0.015 . 2 . . . . 105 LEU HD* . 7190 1 698 . 1 1 60 60 LEU HD23 H 1 0.832 0.015 . 2 . . . . 105 LEU HD* . 7190 1 699 . 1 1 60 60 LEU C C 13 178.183 0 . 1 . . . . 105 LEU C . 7190 1 700 . 1 1 60 60 LEU CA C 13 57.255 0.039 . 1 . . . . 105 LEU CA . 7190 1 701 . 1 1 60 60 LEU CB C 13 42.117 0.072 . 1 . . . . 105 LEU CB . 7190 1 702 . 1 1 60 60 LEU CD1 C 13 24.237 0.08 . 2 . . . . 105 LEU CD* . 7190 1 703 . 1 1 60 60 LEU CD2 C 13 25.204 0.134 . 1 . . . . 105 LEU CD* . 7190 1 704 . 1 1 60 60 LEU N N 15 120.802 0.057 . 1 . . . . 105 LEU N . 7190 1 705 . 1 1 61 61 ARG H H 1 7.927 0.012 . 1 . . . . 106 ARG H . 7190 1 706 . 1 1 61 61 ARG HA H 1 3.919 0.013 . 1 . . . . 106 ARG HA . 7190 1 707 . 1 1 61 61 ARG HB2 H 1 1.845 0.012 . 1 . . . . 106 ARG HB* . 7190 1 708 . 1 1 61 61 ARG HB3 H 1 1.845 0.012 . 1 . . . . 106 ARG HB* . 7190 1 709 . 1 1 61 61 ARG HG2 H 1 1.661 0.009 . 2 . . . . 106 ARG HG* . 7190 1 710 . 1 1 61 61 ARG HG3 H 1 1.578 0.028 . 1 . . . . 106 ARG HG* . 7190 1 711 . 1 1 61 61 ARG HD2 H 1 3.184 0.01 . 1 . . . . 106 ARG HD* . 7190 1 712 . 1 1 61 61 ARG HD3 H 1 3.184 0.01 . 1 . . . . 106 ARG HD* . 7190 1 713 . 1 1 61 61 ARG C C 13 177.998 0 . 1 . . . . 106 ARG C . 7190 1 714 . 1 1 61 61 ARG CA C 13 59.235 0.129 . 1 . . . . 106 ARG CA . 7190 1 715 . 1 1 61 61 ARG CB C 13 30.122 0.037 . 1 . . . . 106 ARG CB . 7190 1 716 . 1 1 61 61 ARG CG C 13 27.589 0.045 . 1 . . . . 106 ARG CG . 7190 1 717 . 1 1 61 61 ARG CD C 13 43.309 0.195 . 1 . . . . 106 ARG CD . 7190 1 718 . 1 1 61 61 ARG N N 15 117.908 0.035 . 1 . . . . 106 ARG N . 7190 1 719 . 1 1 62 62 HIS H H 1 7.651 0.014 . 1 . . . . 107 HIS H . 7190 1 720 . 1 1 62 62 HIS HA H 1 4.391 0.013 . 1 . . . . 107 HIS HA . 7190 1 721 . 1 1 62 62 HIS HB2 H 1 3.306 0.024 . 2 . . . . 107 HIS HB* . 7190 1 722 . 1 1 62 62 HIS HB3 H 1 3.196 0.011 . 1 . . . . 107 HIS HB* . 7190 1 723 . 1 1 62 62 HIS HD2 H 1 7.038 0.002 . 1 . . . . 107 HIS HD2 . 7190 1 724 . 1 1 62 62 HIS HE1 H 1 7.759 0.009 . 1 . . . . 107 HIS HE1 . 7190 1 725 . 1 1 62 62 HIS C C 13 177.014 0 . 1 . . . . 107 HIS C . 7190 1 726 . 1 1 62 62 HIS CA C 13 58.753 0.083 . 1 . . . . 107 HIS CA . 7190 1 727 . 1 1 62 62 HIS CB C 13 30.859 0.085 . 1 . . . . 107 HIS CB . 7190 1 728 . 1 1 62 62 HIS CD2 C 13 159.946 0 . 1 . . . . 107 HIS CD2 . 7190 1 729 . 1 1 62 62 HIS CE1 C 13 138.969 0.039 . 1 . . . . 107 HIS CE1 . 7190 1 730 . 1 1 62 62 HIS N N 15 117.267 0.057 . 1 . . . . 107 HIS N . 7190 1 731 . 1 1 63 63 VAL H H 1 7.464 0.02 . 1 . . . . 108 VAL H . 7190 1 732 . 1 1 63 63 VAL HA H 1 3.586 0.057 . 1 . . . . 108 VAL HA . 7190 1 733 . 1 1 63 63 VAL HB H 1 2.052 0.014 . 1 . . . . 108 VAL HB . 7190 1 734 . 1 1 63 63 VAL HG11 H 1 0.658 0.01 . 2 . . . . 108 VAL HG* . 7190 1 735 . 1 1 63 63 VAL HG12 H 1 0.658 0.01 . 2 . . . . 108 VAL HG* . 7190 1 736 . 1 1 63 63 VAL HG13 H 1 0.658 0.01 . 2 . . . . 108 VAL HG* . 7190 1 737 . 1 1 63 63 VAL HG21 H 1 0.65 0.009 . 2 . . . . 108 VAL HG* . 7190 1 738 . 1 1 63 63 VAL HG22 H 1 0.65 0.009 . 2 . . . . 108 VAL HG* . 7190 1 739 . 1 1 63 63 VAL HG23 H 1 0.65 0.009 . 2 . . . . 108 VAL HG* . 7190 1 740 . 1 1 63 63 VAL C C 13 177.42 0 . 1 . . . . 108 VAL C . 7190 1 741 . 1 1 63 63 VAL CA C 13 64.379 0.064 . 1 . . . . 108 VAL CA . 7190 1 742 . 1 1 63 63 VAL CB C 13 32.167 0.057 . 1 . . . . 108 VAL CB . 7190 1 743 . 1 1 63 63 VAL CG1 C 13 21.514 0.152 . 2 . . . . 108 VAL CG* . 7190 1 744 . 1 1 63 63 VAL CG2 C 13 21.159 0.054 . 2 . . . . 108 VAL CG* . 7190 1 745 . 1 1 63 63 VAL N N 15 117.487 0.027 . 1 . . . . 108 VAL N . 7190 1 746 . 1 1 64 64 MET H H 1 8.042 0.01 . 1 . . . . 109 MET H . 7190 1 747 . 1 1 64 64 MET HA H 1 4.341 0.012 . 1 . . . . 109 MET HA . 7190 1 748 . 1 1 64 64 MET HB2 H 1 2.143 0.021 . 2 . . . . 109 MET HB* . 7190 1 749 . 1 1 64 64 MET HB3 H 1 2.07 0.024 . 1 . . . . 109 MET HB* . 7190 1 750 . 1 1 64 64 MET HG2 H 1 2.667 0.007 . 2 . . . . 109 MET HG* . 7190 1 751 . 1 1 64 64 MET HG3 H 1 2.597 0.02 . 1 . . . . 109 MET HG* . 7190 1 752 . 1 1 64 64 MET C C 13 177.546 0 . 1 . . . . 109 MET C . 7190 1 753 . 1 1 64 64 MET CA C 13 56.708 0.046 . 1 . . . . 109 MET CA . 7190 1 754 . 1 1 64 64 MET CB C 13 32.242 0.105 . 1 . . . . 109 MET CB . 7190 1 755 . 1 1 64 64 MET CG C 13 32.436 0.13 . 1 . . . . 109 MET CG . 7190 1 756 . 1 1 64 64 MET N N 15 117.738 0.036 . 1 . . . . 109 MET N . 7190 1 757 . 1 1 65 65 THR H H 1 7.871 0.008 . 1 . . . . 110 THR H . 7190 1 758 . 1 1 65 65 THR HA H 1 4.257 0.033 . 1 . . . . 110 THR HA . 7190 1 759 . 1 1 65 65 THR HB H 1 4.27 0.019 . 1 . . . . 110 THR HB . 7190 1 760 . 1 1 65 65 THR HG21 H 1 1.237 0.008 . 2 . . . . 110 THR HG* . 7190 1 761 . 1 1 65 65 THR HG22 H 1 1.237 0.008 . 2 . . . . 110 THR HG* . 7190 1 762 . 1 1 65 65 THR HG23 H 1 1.237 0.008 . 2 . . . . 110 THR HG* . 7190 1 763 . 1 1 65 65 THR C C 13 174.749 0 . 1 . . . . 110 THR C . 7190 1 764 . 1 1 65 65 THR CA C 13 63.415 0.057 . 1 . . . . 110 THR CA . 7190 1 765 . 1 1 65 65 THR CB C 13 69.613 0.109 . 1 . . . . 110 THR CB . 7190 1 766 . 1 1 65 65 THR CG2 C 13 21.597 0.231 . 1 . . . . 110 THR CG2 . 7190 1 767 . 1 1 65 65 THR N N 15 112.397 0.03 . 1 . . . . 110 THR N . 7190 1 768 . 1 1 66 66 ASN H H 1 8.048 0.006 . 1 . . . . 111 ASN H . 7190 1 769 . 1 1 66 66 ASN HA H 1 4.734 0.006 . 1 . . . . 111 ASN HA . 7190 1 770 . 1 1 66 66 ASN HB2 H 1 2.864 0.011 . 2 . . . . 111 ASN HB* . 7190 1 771 . 1 1 66 66 ASN HB3 H 1 2.729 0.013 . 1 . . . . 111 ASN HB* . 7190 1 772 . 1 1 66 66 ASN HD21 H 1 7.558 0.013 . 2 . . . . 111 ASN HD* . 7190 1 773 . 1 1 66 66 ASN HD22 H 1 6.879 0.027 . 2 . . . . 111 ASN HD* . 7190 1 774 . 1 1 66 66 ASN C C 13 175.074 0 . 1 . . . . 111 ASN C . 7190 1 775 . 1 1 66 66 ASN CA C 13 54.039 0.058 . 1 . . . . 111 ASN CA . 7190 1 776 . 1 1 66 66 ASN CB C 13 39.155 0.057 . 1 . . . . 111 ASN CB . 7190 1 777 . 1 1 66 66 ASN CG C 13 177.304 0.01 . 1 . . . . 111 ASN CG . 7190 1 778 . 1 1 66 66 ASN N N 15 119.604 0.045 . 1 . . . . 111 ASN N . 7190 1 779 . 1 1 66 66 ASN ND2 N 15 112.919 0.24 . 1 . . . . 111 ASN ND2 . 7190 1 780 . 1 1 67 67 LEU H H 1 7.981 0.011 . 1 . . . . 112 LEU H . 7190 1 781 . 1 1 67 67 LEU HA H 1 4.367 0.013 . 1 . . . . 112 LEU HA . 7190 1 782 . 1 1 67 67 LEU HB2 H 1 1.688 0.01 . 2 . . . . 112 LEU HB* . 7190 1 783 . 1 1 67 67 LEU HB3 H 1 1.612 0.024 . 1 . . . . 112 LEU HB* . 7190 1 784 . 1 1 67 67 LEU HG H 1 1.683 0.022 . 1 . . . . 112 LEU HG . 7190 1 785 . 1 1 67 67 LEU HD11 H 1 0.887 0.017 . 2 . . . . 112 LEU HD* . 7190 1 786 . 1 1 67 67 LEU HD12 H 1 0.887 0.017 . 2 . . . . 112 LEU HD* . 7190 1 787 . 1 1 67 67 LEU HD13 H 1 0.887 0.017 . 2 . . . . 112 LEU HD* . 7190 1 788 . 1 1 67 67 LEU HD21 H 1 0.846 0.016 . 2 . . . . 112 LEU HD* . 7190 1 789 . 1 1 67 67 LEU HD22 H 1 0.846 0.016 . 2 . . . . 112 LEU HD* . 7190 1 790 . 1 1 67 67 LEU HD23 H 1 0.846 0.016 . 2 . . . . 112 LEU HD* . 7190 1 791 . 1 1 67 67 LEU C C 13 176.791 0 . 1 . . . . 112 LEU C . 7190 1 792 . 1 1 67 67 LEU CA C 13 55.376 0.056 . 1 . . . . 112 LEU CA . 7190 1 793 . 1 1 67 67 LEU CB C 13 42.539 0.065 . 1 . . . . 112 LEU CB . 7190 1 794 . 1 1 67 67 LEU CG C 13 26.869 0.094 . 1 . . . . 112 LEU CG . 7190 1 795 . 1 1 67 67 LEU CD1 C 13 23.346 0.073 . 2 . . . . 112 LEU CD* . 7190 1 796 . 1 1 67 67 LEU CD2 C 13 25.575 0.089 . 1 . . . . 112 LEU CD* . 7190 1 797 . 1 1 67 67 LEU N N 15 121.327 0.032 . 1 . . . . 112 LEU N . 7190 1 798 . 1 1 68 68 GLY H H 1 7.876 0.008 . 1 . . . . 113 GLY H . 7190 1 799 . 1 1 68 68 GLY HA2 H 1 3.743 0.002 . 1 . . . . 113 GLY HA* . 7190 1 800 . 1 1 68 68 GLY HA3 H 1 3.743 0.002 . 1 . . . . 113 GLY HA* . 7190 1 801 . 1 1 68 68 GLY CA C 13 46.287 0.025 . 1 . . . . 113 GLY CA . 7190 1 802 . 1 1 68 68 GLY N N 15 114.754 0.027 . 1 . . . . 113 GLY N . 7190 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOE_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOE_list_1 _Heteronucl_NOE_list.Entry_ID 7190 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'H N' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID . . 2 $sample_2 isotropic 7190 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 LEU N N 15 . 1 1 3 3 LEU H H 1 0.786 . . . . . . . . . . . 7190 1 2 . 1 1 4 4 GLN N N 15 . 1 1 4 4 GLN H H 1 0.56 . . . . . . . . . . . 7190 1 3 . 1 1 5 5 ASP N N 15 . 1 1 5 5 ASP H H 1 0.577 . . . . . . . . . . . 7190 1 4 . 1 1 6 6 MET N N 15 . 1 1 6 6 MET H H 1 0.567 . . . . . . . . . . . 7190 1 5 . 1 1 7 7 ILE N N 15 . 1 1 7 7 ILE H H 1 0.603 . . . . . . . . . . . 7190 1 6 . 1 1 8 8 ASN N N 15 . 1 1 8 8 ASN H H 1 0.562 . . . . . . . . . . . 7190 1 7 . 1 1 9 9 GLU N N 15 . 1 1 9 9 GLU H H 1 0.675 . . . . . . . . . . . 7190 1 8 . 1 1 10 10 VAL N N 15 . 1 1 10 10 VAL H H 1 0.554 . . . . . . . . . . . 7190 1 9 . 1 1 11 11 ASP N N 15 . 1 1 11 11 ASP H H 1 0.783 . . . . . . . . . . . 7190 1 10 . 1 1 12 12 ALA N N 15 . 1 1 12 12 ALA H H 1 0.582 . . . . . . . . . . . 7190 1 11 . 1 1 13 13 ASP N N 15 . 1 1 13 13 ASP H H 1 0.778 . . . . . . . . . . . 7190 1 12 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.681 . . . . . . . . . . . 7190 1 13 . 1 1 15 15 ASN N N 15 . 1 1 15 15 ASN H H 1 0.638 . . . . . . . . . . . 7190 1 14 . 1 1 16 16 GLY N N 15 . 1 1 16 16 GLY H H 1 0.864 . . . . . . . . . . . 7190 1 15 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.752 . . . . . . . . . . . 7190 1 16 . 1 1 18 18 ILE N N 15 . 1 1 18 18 ILE H H 1 0.82 . . . . . . . . . . . 7190 1 17 . 1 1 19 19 ASP N N 15 . 1 1 19 19 ASP H H 1 0.604 . . . . . . . . . . . 7190 1 18 . 1 1 20 20 PHE N N 15 . 1 1 20 20 PHE H H 1 0.734 . . . . . . . . . . . 7190 1 19 . 1 1 22 22 GLU N N 15 . 1 1 22 22 GLU H H 1 0.668 . . . . . . . . . . . 7190 1 20 . 1 1 23 23 PHE N N 15 . 1 1 23 23 PHE H H 1 0.659 . . . . . . . . . . . 7190 1 21 . 1 1 24 24 LEU N N 15 . 1 1 24 24 LEU H H 1 0.766 . . . . . . . . . . . 7190 1 22 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.755 . . . . . . . . . . . 7190 1 23 . 1 1 26 26 MET N N 15 . 1 1 26 26 MET H H 1 0.746 . . . . . . . . . . . 7190 1 24 . 1 1 27 27 MET N N 15 . 1 1 27 27 MET H H 1 0.65 . . . . . . . . . . . 7190 1 25 . 1 1 28 28 ALA N N 15 . 1 1 28 28 ALA H H 1 0.607 . . . . . . . . . . . 7190 1 26 . 1 1 29 29 ARG N N 15 . 1 1 29 29 ARG H H 1 0.557 . . . . . . . . . . . 7190 1 27 . 1 1 30 30 LYS N N 15 . 1 1 30 30 LYS H H 1 0.562 . . . . . . . . . . . 7190 1 28 . 1 1 31 31 MET N N 15 . 1 1 31 31 MET H H 1 0.497 . . . . . . . . . . . 7190 1 29 . 1 1 32 32 LYS N N 15 . 1 1 32 32 LYS H H 1 0.541 . . . . . . . . . . . 7190 1 30 . 1 1 33 33 ASP N N 15 . 1 1 33 33 ASP H H 1 0.448 . . . . . . . . . . . 7190 1 31 . 1 1 34 34 THR N N 15 . 1 1 34 34 THR H H 1 0.377 . . . . . . . . . . . 7190 1 32 . 1 1 35 35 ASP N N 15 . 1 1 35 35 ASP H H 1 0.729 . . . . . . . . . . . 7190 1 33 . 1 1 36 36 SER N N 15 . 1 1 36 36 SER H H 1 0.434 . . . . . . . . . . . 7190 1 34 . 1 1 37 37 GLU N N 15 . 1 1 37 37 GLU H H 1 0.65 . . . . . . . . . . . 7190 1 35 . 1 1 38 38 GLU N N 15 . 1 1 38 38 GLU H H 1 0.56 . . . . . . . . . . . 7190 1 36 . 1 1 39 39 GLU N N 15 . 1 1 39 39 GLU H H 1 0.654 . . . . . . . . . . . 7190 1 37 . 1 1 40 40 ILE N N 15 . 1 1 40 40 ILE H H 1 0.716 . . . . . . . . . . . 7190 1 38 . 1 1 41 41 ARG N N 15 . 1 1 41 41 ARG H H 1 0.667 . . . . . . . . . . . 7190 1 39 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.692 . . . . . . . . . . . 7190 1 40 . 1 1 43 43 ALA N N 15 . 1 1 43 43 ALA H H 1 0.69 . . . . . . . . . . . 7190 1 41 . 1 1 44 44 PHE N N 15 . 1 1 44 44 PHE H H 1 0.792 . . . . . . . . . . . 7190 1 42 . 1 1 45 45 ARG N N 15 . 1 1 45 45 ARG H H 1 0.631 . . . . . . . . . . . 7190 1 43 . 1 1 46 46 VAL N N 15 . 1 1 46 46 VAL H H 1 0.638 . . . . . . . . . . . 7190 1 44 . 1 1 47 47 PHE N N 15 . 1 1 47 47 PHE H H 1 0.587 . . . . . . . . . . . 7190 1 45 . 1 1 48 48 ASP N N 15 . 1 1 48 48 ASP H H 1 0.677 . . . . . . . . . . . 7190 1 46 . 1 1 49 49 LYS N N 15 . 1 1 49 49 LYS H H 1 0.734 . . . . . . . . . . . 7190 1 47 . 1 1 50 50 ASP N N 15 . 1 1 50 50 ASP H H 1 0.696 . . . . . . . . . . . 7190 1 48 . 1 1 51 51 GLY N N 15 . 1 1 51 51 GLY H H 1 0.755 . . . . . . . . . . . 7190 1 49 . 1 1 52 52 ASN N N 15 . 1 1 52 52 ASN H H 1 0.788 . . . . . . . . . . . 7190 1 50 . 1 1 53 53 GLY N N 15 . 1 1 53 53 GLY H H 1 0.621 . . . . . . . . . . . 7190 1 51 . 1 1 54 54 TYR N N 15 . 1 1 54 54 TYR H H 1 0.674 . . . . . . . . . . . 7190 1 52 . 1 1 55 55 ILE N N 15 . 1 1 55 55 ILE H H 1 0.7 . . . . . . . . . . . 7190 1 53 . 1 1 56 56 SER N N 15 . 1 1 56 56 SER H H 1 0.789 . . . . . . . . . . . 7190 1 54 . 1 1 57 57 ALA N N 15 . 1 1 57 57 ALA H H 1 0.791 . . . . . . . . . . . 7190 1 55 . 1 1 59 59 GLU N N 15 . 1 1 59 59 GLU H H 1 0.676 . . . . . . . . . . . 7190 1 56 . 1 1 60 60 LEU N N 15 . 1 1 60 60 LEU H H 1 0.693 . . . . . . . . . . . 7190 1 57 . 1 1 61 61 ARG N N 15 . 1 1 61 61 ARG H H 1 0.621 . . . . . . . . . . . 7190 1 58 . 1 1 62 62 HIS N N 15 . 1 1 62 62 HIS H H 1 0.688 . . . . . . . . . . . 7190 1 59 . 1 1 63 63 VAL N N 15 . 1 1 63 63 VAL H H 1 0.552 . . . . . . . . . . . 7190 1 60 . 1 1 64 64 MET N N 15 . 1 1 64 64 MET H H 1 0.586 . . . . . . . . . . . 7190 1 61 . 1 1 65 65 THR N N 15 . 1 1 65 65 THR H H 1 0.447 . . . . . . . . . . . 7190 1 62 . 1 1 66 66 ASN N N 15 . 1 1 66 66 ASN H H 1 0.529 . . . . . . . . . . . 7190 1 63 . 1 1 67 67 LEU N N 15 . 1 1 67 67 LEU H H 1 -0.079 . . . . . . . . . . . 7190 1 64 . 1 1 68 68 GLY N N 15 . 1 1 68 68 GLY H H 1 -0.752 . . . . . . . . . . . 7190 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_list_1 _Heteronucl_T1_list.Entry_ID 7190 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 500 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID . . 2 $sample_2 isotropic 7190 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 LEU N . . 0.4645 0.134 . . . . . 7190 1 2 . 1 1 4 4 GLN N . . 0.3893 0.0175 . . . . . 7190 1 3 . 1 1 5 5 ASP N . . 0.435 0.0314 . . . . . 7190 1 4 . 1 1 6 6 MET N . . 0.4054 0.0087 . . . . . 7190 1 5 . 1 1 7 7 ILE N . . 0.4005 0.0036 . . . . . 7190 1 6 . 1 1 8 8 ASN N . . 0.4008 0.0114 . . . . . 7190 1 7 . 1 1 9 9 GLU N . . 0.3917 0.0195 . . . . . 7190 1 8 . 1 1 10 10 VAL N . . 0.3984 0.0031 . . . . . 7190 1 9 . 1 1 11 11 ASP N . . 0.3941 0.0122 . . . . . 7190 1 10 . 1 1 12 12 ALA N . . 0.4772 0.0093 . . . . . 7190 1 11 . 1 1 13 13 ASP N . . 0.394 0.0089 . . . . . 7190 1 12 . 1 1 14 14 GLY N . . 0.389 0.0067 . . . . . 7190 1 13 . 1 1 15 15 ASN N . . 0.3741 0.0227 . . . . . 7190 1 14 . 1 1 16 16 GLY N . . 0.3735 0.0182 . . . . . 7190 1 15 . 1 1 17 17 THR N . . 0.3797 0.0119 . . . . . 7190 1 16 . 1 1 18 18 ILE N . . 0.3874 0.0061 . . . . . 7190 1 17 . 1 1 19 19 ASP N . . 0.3388 0.019 . . . . . 7190 1 18 . 1 1 20 20 PHE N . . 0.3752 0.0054 . . . . . 7190 1 19 . 1 1 22 22 GLU N . . 0.3633 0.0173 . . . . . 7190 1 20 . 1 1 23 23 PHE N . . 0.3672 0.003 . . . . . 7190 1 21 . 1 1 24 24 LEU N . . 0.3904 0.0031 . . . . . 7190 1 22 . 1 1 25 25 THR N . . 0.3921 0.0103 . . . . . 7190 1 23 . 1 1 26 26 MET N . . 0.3972 0.0071 . . . . . 7190 1 24 . 1 1 27 27 MET N . . 0.4059 0.012 . . . . . 7190 1 25 . 1 1 28 28 ALA N . . 0.3896 0.0122 . . . . . 7190 1 26 . 1 1 29 29 ARG N . . 0.4088 0.0072 . . . . . 7190 1 27 . 1 1 30 30 LYS N . . 0.4167 0.0119 . . . . . 7190 1 28 . 1 1 31 31 MET N . . 0.4367 0.0113 . . . . . 7190 1 29 . 1 1 32 32 LYS N . . 0.4637 0.018 . . . . . 7190 1 30 . 1 1 33 33 ASP N . . 0.5139 0.0933 . . . . . 7190 1 31 . 1 1 34 34 THR N . . 0.4493 0.0201 . . . . . 7190 1 32 . 1 1 35 35 ASP N . . 0.2814 0.0695 . . . . . 7190 1 33 . 1 1 36 36 SER N . . 0.4479 0.018 . . . . . 7190 1 34 . 1 1 37 37 GLU N . . 0.3981 0.0166 . . . . . 7190 1 35 . 1 1 38 38 GLU N . . 0.3873 0.0057 . . . . . 7190 1 36 . 1 1 39 39 GLU N . . 0.3836 0.0092 . . . . . 7190 1 37 . 1 1 40 40 ILE N . . 0.3999 0.0055 . . . . . 7190 1 38 . 1 1 41 41 ARG N . . 0.3905 0.0029 . . . . . 7190 1 39 . 1 1 42 42 GLU N . . 0.4245 0.0111 . . . . . 7190 1 40 . 1 1 43 43 ALA N . . 0.392 0.0029 . . . . . 7190 1 41 . 1 1 44 44 PHE N . . 0.376 0.0193 . . . . . 7190 1 42 . 1 1 45 45 ARG N . . 0.3779 0.0052 . . . . . 7190 1 43 . 1 1 46 46 VAL N . . 0.3894 0.0089 . . . . . 7190 1 44 . 1 1 47 47 PHE N . . 0.3827 0.0185 . . . . . 7190 1 45 . 1 1 48 48 ASP N . . 0.3975 0.0069 . . . . . 7190 1 46 . 1 1 49 49 LYS N . . 0.4032 0.0034 . . . . . 7190 1 47 . 1 1 50 50 ASP N . . 0.4038 0.0154 . . . . . 7190 1 48 . 1 1 51 51 GLY N . . 0.3752 0.0198 . . . . . 7190 1 49 . 1 1 52 52 ASN N . . 0.376 0.0044 . . . . . 7190 1 50 . 1 1 53 53 GLY N . . 0.384 0.0057 . . . . . 7190 1 51 . 1 1 54 54 TYR N . . 0.3798 0.0101 . . . . . 7190 1 52 . 1 1 55 55 ILE N . . 0.3695 0.0162 . . . . . 7190 1 53 . 1 1 56 56 SER N . . 0.3762 0.0119 . . . . . 7190 1 54 . 1 1 57 57 ALA N . . 0.3694 0.0185 . . . . . 7190 1 55 . 1 1 59 59 GLU N . . 0.4156 0.0105 . . . . . 7190 1 56 . 1 1 60 60 LEU N . . 0.3809 0.007 . . . . . 7190 1 57 . 1 1 61 61 ARG N . . 0.3883 0.0181 . . . . . 7190 1 58 . 1 1 62 62 HIS N . . 0.3807 0.0285 . . . . . 7190 1 59 . 1 1 63 63 VAL N . . 0.3862 0.0057 . . . . . 7190 1 60 . 1 1 64 64 MET N . . 0.4112 0.0157 . . . . . 7190 1 61 . 1 1 65 65 THR N . . 0.4382 0.0338 . . . . . 7190 1 62 . 1 1 66 66 ASN N . . 0.4028 0.022 . . . . . 7190 1 63 . 1 1 67 67 LEU N . . 0.5646 0.0513 . . . . . 7190 1 64 . 1 1 68 68 GLY N . . 0.802 0.005 . . . . . 7190 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode T2_list_1 _Heteronucl_T2_list.Entry_ID 7190 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $conditions_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 500 _Heteronucl_T2_list.T2_coherence_type Ny _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units s-1 _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID . . 2 $sample_2 isotropic 7190 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 LEU N . . 0.1225 0.012 8.163265306 2.399000416 . . . . . 7190 1 2 . 1 1 4 4 GLN N . . 0.1126 0.0007 8.880994671 0.162082096 . . . . . 7190 1 3 . 1 1 5 5 ASP N . . 0.1226 0.0042 8.156606852 0.846264593 . . . . . 7190 1 4 . 1 1 6 6 MET N . . 0.1296 0.0031 7.716049383 0.553697988 . . . . . 7190 1 5 . 1 1 7 7 ILE N . . 0.1296 0.0056 7.716049383 1.003800869 . . . . . 7190 1 6 . 1 1 8 8 ASN N . . 0.116 0.0023 8.620689655 0.521700357 . . . . . 7190 1 7 . 1 1 9 9 GLU N . . 0.1158 0.0009 8.635578584 0.210520193 . . . . . 7190 1 8 . 1 1 10 10 VAL N . . 0.0687 0.0012 14.55392228 0.781603452 . . . . . 7190 1 9 . 1 1 11 11 ASP N . . 0.12 0.0033 8.333333333 0.691666667 . . . . . 7190 1 10 . 1 1 12 12 ALA N . . 0.0984 0.0026 10.16776817 0.815695891 . . . . . 7190 1 11 . 1 1 13 13 ASP N . . 0.1145 0.0015 8.733624454 0.35010774 . . . . . 7190 1 12 . 1 1 14 14 GLY N . . 0.1463 0.003 6.835269993 0.423291498 . . . . . 7190 1 13 . 1 1 15 15 ASN N . . 0.1327 0.0023 7.535795026 0.395245918 . . . . . 7190 1 14 . 1 1 16 16 GLY N . . 0.1112 0.0023 8.992805755 0.545876249 . . . . . 7190 1 15 . 1 1 17 17 THR N . . 0.1246 0.0017 8.025682183 0.334296072 . . . . . 7190 1 16 . 1 1 18 18 ILE N . . 0.0996 0.0026 10.04419446 0.771776693 . . . . . 7190 1 17 . 1 1 19 19 ASP N . . 0.124 0.0046 8.064516129 0.897502601 . . . . . 7190 1 18 . 1 1 20 20 PHE N . . 0.1324 0.0006 7.552870091 0.100628873 . . . . . 7190 1 19 . 1 1 22 22 GLU N . . 0.1396 0.0038 7.163323782 0.580352378 . . . . . 7190 1 20 . 1 1 23 23 PHE N . . 0.1402 0.003 7.132667618 0.46397952 . . . . . 7190 1 21 . 1 1 24 24 LEU N . . 0.1401 0.0008 7.137758744 0.125178253 . . . . . 7190 1 22 . 1 1 25 25 THR N . . 0.1565 0.006 6.389776358 0.730026845 . . . . . 7190 1 23 . 1 1 26 26 MET N . . 0.1251 0.0026 7.993605116 0.500319169 . . . . . 7190 1 24 . 1 1 27 27 MET N . . 0.1378 0.0054 7.256894049 0.856292433 . . . . . 7190 1 25 . 1 1 28 28 ALA N . . 0.1389 0.0015 7.199424046 0.239462484 . . . . . 7190 1 26 . 1 1 29 29 ARG N . . 0.1227 0.0033 8.14995925 0.653590864 . . . . . 7190 1 27 . 1 1 30 30 LYS N . . 0.1265 0.0047 7.90513834 0.877376619 . . . . . 7190 1 28 . 1 1 31 31 MET N . . 0.1271 0.0052 7.867820614 0.956395189 . . . . . 7190 1 29 . 1 1 32 32 LYS N . . 0.1173 0.0031 8.52514919 0.665005244 . . . . . 7190 1 30 . 1 1 33 33 ASP N . . 0.1196 0.0101 8.361204013 2.118264896 . . . . . 7190 1 31 . 1 1 34 34 THR N . . 0.1116 0.0074 8.960573477 1.780070914 . . . . . 7190 1 32 . 1 1 35 35 ASP N . . 0.1204 0.0051 8.305647841 1.05752144 . . . . . 7190 1 33 . 1 1 36 36 SER N . . 0.1484 0.0048 6.738544474 0.656599414 . . . . . 7190 1 34 . 1 1 37 37 GLU N . . 0.1152 0.0027 8.680555556 0.60583044 . . . . . 7190 1 35 . 1 1 38 38 GLU N . . 0.1199 0.0033 8.34028357 0.686560457 . . . . . 7190 1 36 . 1 1 39 39 GLU N . . 0.1276 0.002 7.836990596 0.374038188 . . . . . 7190 1 37 . 1 1 40 40 ILE N . . 0.141 0.0028 7.092198582 0.428549872 . . . . . 7190 1 38 . 1 1 41 41 ARG N . . 0.1445 0.0035 6.920415225 0.5086146 . . . . . 7190 1 39 . 1 1 42 42 GLU N . . 0.1378 0.0017 7.256894049 0.262259306 . . . . . 7190 1 40 . 1 1 43 43 ALA N . . 0.1498 0.0039 6.675567423 0.525400133 . . . . . 7190 1 41 . 1 1 44 44 PHE N . . 0.1284 0.0033 7.788161994 0.60230879 . . . . . 7190 1 42 . 1 1 45 45 ARG N . . 0.1349 0.0035 7.412898443 0.580283229 . . . . . 7190 1 43 . 1 1 46 46 VAL N . . 0.1383 0.0028 7.23065799 0.440740758 . . . . . 7190 1 44 . 1 1 47 47 PHE N . . 0.1269 0.0021 7.880220646 0.385627819 . . . . . 7190 1 45 . 1 1 48 48 ASP N . . 0.1209 0.0028 8.271298594 0.58083809 . . . . . 7190 1 46 . 1 1 49 49 LYS N . . 0.1417 0.0024 7.05716302 0.35410324 . . . . . 7190 1 47 . 1 1 50 50 ASP N . . 0.128 0.0018 7.8125 0.335083008 . . . . . 7190 1 48 . 1 1 51 51 GLY N . . 0.1397 0.0102 7.158196135 1.56793702 . . . . . 7190 1 49 . 1 1 52 52 ASN N . . 0.1171 0.0037 8.53970965 0.816049112 . . . . . 7190 1 50 . 1 1 53 53 GLY N . . 0.1388 0.0059 7.204610951 0.918743616 . . . . . 7190 1 51 . 1 1 54 54 TYR N . . 0.1305 0.0021 7.662835249 0.37345312 . . . . . 7190 1 52 . 1 1 55 55 ILE N . . 0.0716 0.0014 13.96258028 0.795410885 . . . . . 7190 1 53 . 1 1 56 56 SER N . . 0.1135 0.003 8.810572687 0.691649362 . . . . . 7190 1 54 . 1 1 57 57 ALA N . . 0.1025 0.0027 9.756097561 0.770969661 . . . . . 7190 1 55 . 1 1 59 59 GLU N . . 0.1275 0.0022 7.843137255 0.413379469 . . . . . 7190 1 56 . 1 1 60 60 LEU N . . 0.1264 0.0036 7.911392405 0.666584882 . . . . . 7190 1 57 . 1 1 61 61 ARG N . . 0.1236 0.0039 8.090614887 0.771750401 . . . . . 7190 1 58 . 1 1 62 62 HIS N . . 0.0907 0.0016 11.03022281 0.57304599 . . . . . 7190 1 59 . 1 1 63 63 VAL N . . 0.1238 0.0013 8.077544426 0.258377027 . . . . . 7190 1 60 . 1 1 64 64 MET N . . 0.1102 0.0024 9.074410163 0.592883423 . . . . . 7190 1 61 . 1 1 65 65 THR N . . 0.1104 0.0091 9.057971014 2.232494486 . . . . . 7190 1 62 . 1 1 66 66 ASN N . . 0.142 0.0022 7.042253521 0.319877009 . . . . . 7190 1 63 . 1 1 67 67 LEU N . . 0.1473 0.0087 6.788866259 1.202915203 . . . . . 7190 1 64 . 1 1 68 68 GLY N . . 0.3205 0.0206 3.120124805 0.60163405 . . . . . 7190 1 stop_ save_