data_25344 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25344 _Entry.Title ; Calcium bound calmodulin C-terminal domain, E140Q mutant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-11-14 _Entry.Accession_date 2014-11-14 _Entry.Last_release_date 2015-08-19 _Entry.Original_release_date 2015-08-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Patrik Lundstrom . . . 25344 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25344 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 305 25344 '15N chemical shifts' 71 25344 '1H chemical shifts' 473 25344 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2015-08-19 2014-11-14 update BMRB 'update entry citation' 25344 1 . . 2014-12-16 2014-11-14 original author 'original release' 25344 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25345 'PfCDPK3 CLD(B)' 25344 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25344 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25569628 _Citation.Full_citation . _Citation.Title ; Fast and accurate resonance assignment of small-to-large proteins by combining automated and manual approaches ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLOS Comput. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 1 _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 e1004022 _Citation.Page_last e1004022 _Citation.Year 2015 _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 Markus Niklasson . . . 25344 1 2 Alexandra Ahlner . . . 25344 1 3 Cecilia Andresen . . . 25344 1 4 Joseph Marsh . A. . 25344 1 5 Patrik Lundstrom . . . 25344 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25344 _Assembly.ID 1 _Assembly.Name 'CaM Tr2C, monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'subunit 1' 1 $CaM_E140Q_Tr2C A . yes native no no . . . 25344 1 2 'calcium ion' 2 $entity_CA B . no native no no . . . 25344 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CaM_E140Q_Tr2C _Entity.Sf_category entity _Entity.Sf_framecode CaM_E140Q_Tr2C _Entity.Entry_ID 25344 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CaM_E140Q_Tr2C _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKDTDSEEEIREAFRVFDKD GNGYISAAELRHVMTNLGEK LTDEEVDEMIREADIDGDGQ VNYEQFVQMMTAK ; _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 73 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment Tr2C _Entity.Mutation E140Q _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 11440 . entity . . . . . 97.26 72 97.18 98.59 1.54e-40 . . . . 25344 1 2 no BMRB 16994 . cCaMF92E . . . . . 100.00 94 97.26 98.63 9.84e-42 . . . . 25344 1 3 no BMRB 17881 . isolcated_c_domain_of_calmodulin . . . . . 97.26 71 98.59 100.00 1.74e-41 . . . . 25344 1 4 no BMRB 17981 . isolcated_c_domain_of_calmodulin . . . . . 97.26 71 98.59 100.00 1.74e-41 . . . . 25344 1 5 no BMRB 17982 . isolcated_c_domain_of_calmodulin . . . . . 97.26 71 98.59 100.00 1.74e-41 . . . . 25344 1 6 no BMRB 17983 . isolcated_c_domain_of_calmodulin . . . . . 97.26 71 98.59 100.00 1.74e-41 . . . . 25344 1 7 no BMRB 18084 . "Calmodulin C-Lobe" . . . . . 91.78 67 98.51 100.00 1.56e-38 . . . . 25344 1 8 no BMRB 18323 . entity . . . . . 97.26 71 98.59 100.00 1.74e-41 . . . . 25344 1 9 no BMRB 19376 . "Calmodulin, C-terminal domain" . . . . . 100.00 75 97.26 98.63 3.40e-42 . . . . 25344 1 10 no PDB 1CMF . "Nmr Solution Structure Of Apo Calmodulin Carboxy-Terminal Domain" . . . . . 100.00 73 98.63 100.00 5.24e-43 . . . . 25344 1 11 no PDB 1CMG . "Nmr Solution Structure Of Calcium-Loaded Calmodulin Carboxy- Terminal Domain" . . . . . 100.00 73 98.63 100.00 5.24e-43 . . . . 25344 1 12 no PDB 1F71 . "Refined Solution Structure Of Calmodulin C-Terminal Domain" . . . . . 91.78 67 98.51 100.00 1.56e-38 . . . . 25344 1 13 no PDB 1FW4 . "Crystal Structure Of E. Coli Fragment Tr2c From Calmodulin To 1.7 A Resolution" . . . . . 97.26 71 98.59 100.00 1.74e-41 . . . . 25344 1 14 no PDB 1J7P . "Solution Structure Of Calcium Calmodulin C-Terminal Domain" . . . . . 91.78 67 98.51 100.00 1.56e-38 . . . . 25344 1 15 no PDB 1YRT . "Crystal Structure Analysis Of The Adenylyl Cyclaes Catalytic Domain Of Adenylyl Cyclase Toxin Of Bordetella Pertussis In Presen" . . . . . 100.00 74 98.63 100.00 4.10e-43 . . . . 25344 1 16 no PDB 1YRU . "Crystal Structure Analysis Of The Adenylyl Cyclaes Catalytic Domain Of Adenylyl Cyclase Toxin Of Bordetella Pertussis In Presen" . . . . . 100.00 74 98.63 100.00 4.10e-43 . . . . 25344 1 17 no PDB 1ZOT . "Crystal Structure Analysis Of The CyaaC-Cam With Pmeapp" . . . . . 94.52 69 98.55 100.00 4.27e-40 . . . . 25344 1 18 no PDB 2COL . "Crystal Structure Analysis Of CyaaC-Cam With Pyrophosphate" . . . . . 91.78 67 98.51 100.00 1.55e-38 . . . . 25344 1 19 no PDB 2HF5 . "The Structure And Function Of A Novel Two-Site Calcium- Binding Fragment Of Calmodulin" . . . . . 52.05 68 100.00 100.00 2.01e-17 . . . . 25344 1 20 no PDB 2K3S . "Haddock-Derived Structure Of The Ch-Domain Of The Smoothelin-Like 1 Complexed With The C-Domain Of Apocalmodulin" . . . . . 91.78 67 98.51 100.00 1.56e-38 . . . . 25344 1 21 no PDB 2KUH . "Halothane Binds To Druggable Sites In Calcium-calmodulin: Solution Structure Of Halothane-cam C-terminal Domain" . . . . . 91.78 67 98.51 100.00 1.56e-38 . . . . 25344 1 22 no PDB 2KZ2 . "Calmodulin, C-terminal Domain, F92e Mutant" . . . . . 100.00 94 97.26 98.63 9.84e-42 . . . . 25344 1 23 no PDB 2LLQ . "Solution Nmr-derived Structure Of Calmodulin C-lobe Bound With Er Alpha Peptide" . . . . . 91.78 67 98.51 100.00 1.56e-38 . . . . 25344 1 24 no PDB 2LQP . "Nmr Solution Structure Of The Ca2+-Calmodulin C-Terminal Domain In A Complex With A Peptide (Nscate) From The L-Type Voltage-Ga" . . . . . 97.26 71 98.59 100.00 1.74e-41 . . . . 25344 1 25 no PDB 2RRT . "Solution Structure Of Magnesium-Bound Form Of Calmodulin C-Domain E104dE140D MUTANT" . . . . . 97.26 72 97.18 98.59 1.54e-40 . . . . 25344 1 26 no PDB 4BYA . "Calmodulin, C-terminal Domain, M144h Mutant" . . . . . 100.00 75 97.26 98.63 3.40e-42 . . . . 25344 1 27 no PDB 4RJD . "Tfp Bound In Alternate Orientations To Calcium-saturated Calmodulin C- Domains" . . . . . 90.41 66 98.48 100.00 9.26e-38 . . . . 25344 1 28 no DBJ BAC39089 . "unnamed protein product [Mus musculus]" . . . . . 100.00 80 97.26 98.63 5.90e-42 . . . . 25344 1 29 no DBJ BAF45809 . "calmodulin, partial [Thunnus thynnus]" . . . . . 80.82 66 100.00 100.00 2.11e-32 . . . . 25344 1 30 no DBJ BAI66109 . "calmodulin [Oryzias latipes]" . . . . . 56.16 56 97.56 97.56 1.33e-18 . . . . 25344 1 31 no DBJ BAI66110 . "calmodulin [Oryzias latipes]" . . . . . 56.16 56 97.56 97.56 1.33e-18 . . . . 25344 1 32 no DBJ BAI66111 . "calmodulin [Oryzias latipes]" . . . . . 56.16 56 100.00 100.00 1.32e-19 . . . . 25344 1 33 no EMBL CAB51566 . "calmodulin [Drosophila melanogaster]" . . . . . 87.67 80 98.44 100.00 8.67e-36 . . . . 25344 1 34 no GB AAH10730 . "Calm2 protein, partial [Mus musculus]" . . . . . 100.00 97 98.63 100.00 9.60e-43 . . . . 25344 1 35 no GB AAO17827 . "calmodulin, partial [Paralichthys olivaceus]" . . . . . 89.04 65 98.46 100.00 2.30e-37 . . . . 25344 1 36 no GB AAQ14324 . "calmodulin 1, partial [Sus scrofa]" . . . . . 100.00 77 98.63 100.00 4.03e-43 . . . . 25344 1 37 no GB AAX61134 . "calmodulin [Oreochromis mossambicus]" . . . . . 58.90 43 97.67 100.00 2.30e-20 . . . . 25344 1 38 no GB AAY87961 . "calmodulin [Prochilodus rubrotaeniatus]" . . . . . 52.05 41 100.00 100.00 1.02e-17 . . . . 25344 1 39 no REF XP_001687795 . "Anopheles gambiae str. PEST AGAP012844-PA [Anopheles gambiae str. PEST]" . . . . . 87.67 98 98.44 100.00 6.16e-36 . . . . 25344 1 40 no REF XP_001869425 . "calmodulin [Culex quinquefasciatus]" . . . . . 87.67 66 98.44 100.00 6.07e-36 . . . . 25344 1 41 no REF XP_007442524 . "PREDICTED: calmodulin-like [Python bivittatus]" . . . . . 100.00 136 98.63 100.00 3.10e-42 . . . . 25344 1 42 no REF XP_010190430 . "PREDICTED: calmodulin-like, partial [Mesitornis unicolor]" . . . . . 100.00 89 98.63 100.00 6.63e-43 . . . . 25344 1 43 no REF XP_011906627 . "PREDICTED: calmodulin-like [Cercocebus atys]" . . . . . 87.67 90 100.00 100.00 1.20e-36 . . . . 25344 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 76 MET . 25344 1 2 77 LYS . 25344 1 3 78 ASP . 25344 1 4 79 THR . 25344 1 5 80 ASP . 25344 1 6 81 SER . 25344 1 7 82 GLU . 25344 1 8 83 GLU . 25344 1 9 84 GLU . 25344 1 10 85 ILE . 25344 1 11 86 ARG . 25344 1 12 87 GLU . 25344 1 13 88 ALA . 25344 1 14 89 PHE . 25344 1 15 90 ARG . 25344 1 16 91 VAL . 25344 1 17 92 PHE . 25344 1 18 93 ASP . 25344 1 19 94 LYS . 25344 1 20 95 ASP . 25344 1 21 96 GLY . 25344 1 22 97 ASN . 25344 1 23 98 GLY . 25344 1 24 99 TYR . 25344 1 25 100 ILE . 25344 1 26 101 SER . 25344 1 27 102 ALA . 25344 1 28 103 ALA . 25344 1 29 104 GLU . 25344 1 30 105 LEU . 25344 1 31 106 ARG . 25344 1 32 107 HIS . 25344 1 33 108 VAL . 25344 1 34 109 MET . 25344 1 35 110 THR . 25344 1 36 111 ASN . 25344 1 37 112 LEU . 25344 1 38 113 GLY . 25344 1 39 114 GLU . 25344 1 40 115 LYS . 25344 1 41 116 LEU . 25344 1 42 117 THR . 25344 1 43 118 ASP . 25344 1 44 119 GLU . 25344 1 45 120 GLU . 25344 1 46 121 VAL . 25344 1 47 122 ASP . 25344 1 48 123 GLU . 25344 1 49 124 MET . 25344 1 50 125 ILE . 25344 1 51 126 ARG . 25344 1 52 127 GLU . 25344 1 53 128 ALA . 25344 1 54 129 ASP . 25344 1 55 130 ILE . 25344 1 56 131 ASP . 25344 1 57 132 GLY . 25344 1 58 133 ASP . 25344 1 59 134 GLY . 25344 1 60 135 GLN . 25344 1 61 136 VAL . 25344 1 62 137 ASN . 25344 1 63 138 TYR . 25344 1 64 139 GLU . 25344 1 65 140 GLN . 25344 1 66 141 PHE . 25344 1 67 142 VAL . 25344 1 68 143 GLN . 25344 1 69 144 MET . 25344 1 70 145 MET . 25344 1 71 146 THR . 25344 1 72 147 ALA . 25344 1 73 148 LYS . 25344 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 . MET 1 1 25344 1 . LYS 2 2 25344 1 . ASP 3 3 25344 1 . THR 4 4 25344 1 . ASP 5 5 25344 1 . SER 6 6 25344 1 . GLU 7 7 25344 1 . GLU 8 8 25344 1 . GLU 9 9 25344 1 . ILE 10 10 25344 1 . ARG 11 11 25344 1 . GLU 12 12 25344 1 . ALA 13 13 25344 1 . PHE 14 14 25344 1 . ARG 15 15 25344 1 . VAL 16 16 25344 1 . PHE 17 17 25344 1 . ASP 18 18 25344 1 . LYS 19 19 25344 1 . ASP 20 20 25344 1 . GLY 21 21 25344 1 . ASN 22 22 25344 1 . GLY 23 23 25344 1 . TYR 24 24 25344 1 . ILE 25 25 25344 1 . SER 26 26 25344 1 . ALA 27 27 25344 1 . ALA 28 28 25344 1 . GLU 29 29 25344 1 . LEU 30 30 25344 1 . ARG 31 31 25344 1 . HIS 32 32 25344 1 . VAL 33 33 25344 1 . MET 34 34 25344 1 . THR 35 35 25344 1 . ASN 36 36 25344 1 . LEU 37 37 25344 1 . GLY 38 38 25344 1 . GLU 39 39 25344 1 . LYS 40 40 25344 1 . LEU 41 41 25344 1 . THR 42 42 25344 1 . ASP 43 43 25344 1 . GLU 44 44 25344 1 . GLU 45 45 25344 1 . VAL 46 46 25344 1 . ASP 47 47 25344 1 . GLU 48 48 25344 1 . MET 49 49 25344 1 . ILE 50 50 25344 1 . ARG 51 51 25344 1 . GLU 52 52 25344 1 . ALA 53 53 25344 1 . ASP 54 54 25344 1 . ILE 55 55 25344 1 . ASP 56 56 25344 1 . GLY 57 57 25344 1 . ASP 58 58 25344 1 . GLY 59 59 25344 1 . GLN 60 60 25344 1 . VAL 61 61 25344 1 . ASN 62 62 25344 1 . TYR 63 63 25344 1 . GLU 64 64 25344 1 . GLN 65 65 25344 1 . PHE 66 66 25344 1 . VAL 67 67 25344 1 . GLN 68 68 25344 1 . MET 69 69 25344 1 . MET 70 70 25344 1 . THR 71 71 25344 1 . ALA 72 72 25344 1 . LYS 73 73 25344 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 25344 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name 'CALCIUM ION' _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 25344 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 25344 2 CA 'Three letter code' 25344 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CA $chem_comp_CA 25344 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 25344 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $CaM_E140Q_Tr2C . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25344 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 25344 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $CaM_E140Q_Tr2C . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . 25344 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 25344 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _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 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _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 . _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 25344 CA InChI=1S/Ca/q+2 InChI InChI 1.03 25344 CA [Ca++] SMILES CACTVS 3.341 25344 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 25344 CA [Ca+2] SMILES ACDLabs 10.04 25344 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 25344 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25344 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 25344 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25344 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 CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 25344 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25344 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CaM E140Q_Tr2C' '[U-99% 13C; U-99% 15N]' . . 1 $CaM_E140Q_Tr2C . . 0.7 . . mM . . . . 25344 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25344 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25344 1 4 CaCl2 'natural abundance' . . . . . . 20 . . mM . . . . 25344 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25344 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 25344 1 pH 6.0 0.05 pH 25344 1 pressure 1 . atm 25344 1 temperature 308 0.1 K 25344 1 stop_ save_ ############################ # Computer software used # ############################ save_COMPASS _Software.Sf_category software _Software.Sf_framecode COMPASS _Software.Entry_ID 25344 _Software.ID 1 _Software.Name COMPASS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Niklasson, Ahlner, Andresen, Marsh, Lundstrom' . http://www.liu.se/forskning/foass/tidigare-foass/patrik-lundstrom/software?l=en 25344 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25344 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25344 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Goddard, T.D. and Kneller G.D.' . https://www.cgl.ucsf.edu/home/sparky/ 25344 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 25344 2 visulaization 25344 2 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 25344 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25344 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 25344 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25344 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25344 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25344 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25344 1 4 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25344 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25344 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25344 1 7 '3D (H)C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25344 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25344 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25344 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25344 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25344 _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 0.00 na indirect 0.251449530 . . . . . . . . . 25344 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25344 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25344 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25344 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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 4 '3D HN(CA)CO' . . . 25344 1 5 '3D HNCACB' . . . 25344 1 6 '3D H(CCO)NH' . . . 25344 1 7 '3D (H)C(CO)NH' . . . 25344 1 10 '3D 1H-13C NOESY aromatic' . . . 25344 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $COMPASS . . 25344 1 2 $SPARKY . . 25344 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 MET HE1 H 1 2.115 0.000 . 1 . . . . 76 MET HE . 25344 1 2 . 1 1 1 1 MET HE2 H 1 2.115 0.000 . 1 . . . . 76 MET HE . 25344 1 3 . 1 1 1 1 MET HE3 H 1 2.115 0.000 . 1 . . . . 76 MET HE . 25344 1 4 . 1 1 1 1 MET CE C 13 17.031 0.000 . 1 . . . . 76 MET CE . 25344 1 5 . 1 1 2 2 LYS HA H 1 4.396 0.000 . 1 . . . . 77 LYS HA . 25344 1 6 . 1 1 2 2 LYS HB2 H 1 1.863 0.000 . 2 . . . . 77 LYS HB2 . 25344 1 7 . 1 1 2 2 LYS HB3 H 1 1.809 0.000 . 2 . . . . 77 LYS HB3 . 25344 1 8 . 1 1 2 2 LYS HG2 H 1 1.457 0.000 . 1 . . . . 77 LYS HG . 25344 1 9 . 1 1 2 2 LYS HG3 H 1 1.457 0.000 . 1 . . . . 77 LYS HG . 25344 1 10 . 1 1 2 2 LYS HD2 H 1 1.703 0.000 . 1 . . . . 77 LYS HD . 25344 1 11 . 1 1 2 2 LYS HD3 H 1 1.703 0.000 . 1 . . . . 77 LYS HD . 25344 1 12 . 1 1 2 2 LYS C C 13 175.917 0.000 . 1 . . . . 77 LYS CO . 25344 1 13 . 1 1 2 2 LYS CA C 13 56.734 0.035 . 1 . . . . 77 LYS CA . 25344 1 14 . 1 1 2 2 LYS CB C 13 33.346 0.048 . 1 . . . . 77 LYS CB . 25344 1 15 . 1 1 2 2 LYS CG C 13 24.499 0.000 . 1 . . . . 77 LYS CG . 25344 1 16 . 1 1 2 2 LYS CD C 13 29.227 0.000 . 1 . . . . 77 LYS CD . 25344 1 17 . 1 1 3 3 ASP H H 1 8.540 0.001 . 1 . . . . 78 ASP HN . 25344 1 18 . 1 1 3 3 ASP HA H 1 4.643 0.000 . 1 . . . . 78 ASP HA . 25344 1 19 . 1 1 3 3 ASP HB2 H 1 2.771 0.000 . 2 . . . . 78 ASP HB2 . 25344 1 20 . 1 1 3 3 ASP HB3 H 1 2.700 0.000 . 2 . . . . 78 ASP HB3 . 25344 1 21 . 1 1 3 3 ASP C C 13 176.371 0.001 . 1 . . . . 78 ASP CO . 25344 1 22 . 1 1 3 3 ASP CA C 13 54.689 0.019 . 1 . . . . 78 ASP CA . 25344 1 23 . 1 1 3 3 ASP CB C 13 41.071 0.079 . 1 . . . . 78 ASP CB . 25344 1 24 . 1 1 3 3 ASP N N 15 121.856 0.003 . 1 . . . . 78 ASP N . 25344 1 25 . 1 1 4 4 THR H H 1 8.019 0.001 . 1 . . . . 79 THR HN . 25344 1 26 . 1 1 4 4 THR HA H 1 4.325 0.000 . 1 . . . . 79 THR HA . 25344 1 27 . 1 1 4 4 THR HB H 1 4.297 0.000 . 1 . . . . 79 THR HB . 25344 1 28 . 1 1 4 4 THR HG21 H 1 1.204 0.000 . 1 . . . . 79 THR HG2 . 25344 1 29 . 1 1 4 4 THR HG22 H 1 1.204 0.000 . 1 . . . . 79 THR HG2 . 25344 1 30 . 1 1 4 4 THR HG23 H 1 1.204 0.000 . 1 . . . . 79 THR HG2 . 25344 1 31 . 1 1 4 4 THR C C 13 174.559 0.001 . 1 . . . . 79 THR CO . 25344 1 32 . 1 1 4 4 THR CA C 13 61.949 0.023 . 1 . . . . 79 THR CA . 25344 1 33 . 1 1 4 4 THR CB C 13 69.600 0.008 . 1 . . . . 79 THR CB . 25344 1 34 . 1 1 4 4 THR CG2 C 13 21.810 0.023 . 1 . . . . 79 THR CG2 . 25344 1 35 . 1 1 4 4 THR N N 15 113.289 0.011 . 1 . . . . 79 THR N . 25344 1 36 . 1 1 5 5 ASP H H 1 8.335 0.001 . 1 . . . . 80 ASP HN . 25344 1 37 . 1 1 5 5 ASP HA H 1 4.726 0.000 . 1 . . . . 80 ASP HA . 25344 1 38 . 1 1 5 5 ASP HB2 H 1 2.733 0.000 . 1 . . . . 80 ASP HB . 25344 1 39 . 1 1 5 5 ASP HB3 H 1 2.733 0.000 . 1 . . . . 80 ASP HB . 25344 1 40 . 1 1 5 5 ASP C C 13 176.452 0.000 . 1 . . . . 80 ASP CO . 25344 1 41 . 1 1 5 5 ASP CA C 13 54.735 0.020 . 1 . . . . 80 ASP CA . 25344 1 42 . 1 1 5 5 ASP CB C 13 41.310 0.085 . 1 . . . . 80 ASP CB . 25344 1 43 . 1 1 5 5 ASP N N 15 122.781 0.008 . 1 . . . . 80 ASP N . 25344 1 44 . 1 1 6 6 SER H H 1 8.295 0.001 . 1 . . . . 81 SER HN . 25344 1 45 . 1 1 6 6 SER HA H 1 4.520 0.000 . 1 . . . . 81 SER HA . 25344 1 46 . 1 1 6 6 SER HB2 H 1 4.082 0.000 . 2 . . . . 81 SER HB2 . 25344 1 47 . 1 1 6 6 SER HB3 H 1 3.975 0.000 . 2 . . . . 81 SER HB3 . 25344 1 48 . 1 1 6 6 SER C C 13 175.295 0.000 . 1 . . . . 81 SER CO . 25344 1 49 . 1 1 6 6 SER CA C 13 58.804 0.066 . 1 . . . . 81 SER CA . 25344 1 50 . 1 1 6 6 SER CB C 13 64.119 0.072 . 1 . . . . 81 SER CB . 25344 1 51 . 1 1 6 6 SER N N 15 116.327 0.006 . 1 . . . . 81 SER N . 25344 1 52 . 1 1 7 7 GLU H H 1 8.619 0.002 . 1 . . . . 82 GLU HN . 25344 1 53 . 1 1 7 7 GLU HA H 1 4.028 0.000 . 1 . . . . 82 GLU HA . 25344 1 54 . 1 1 7 7 GLU HB2 H 1 2.105 0.000 . 1 . . . . 82 GLU HB . 25344 1 55 . 1 1 7 7 GLU HB3 H 1 2.105 0.000 . 1 . . . . 82 GLU HB . 25344 1 56 . 1 1 7 7 GLU HG2 H 1 2.338 0.000 . 2 . . . . 82 GLU HG2 . 25344 1 57 . 1 1 7 7 GLU HG3 H 1 2.289 0.000 . 2 . . . . 82 GLU HG3 . 25344 1 58 . 1 1 7 7 GLU C C 13 177.879 0.003 . 1 . . . . 82 GLU CO . 25344 1 59 . 1 1 7 7 GLU CA C 13 59.461 0.039 . 1 . . . . 82 GLU CA . 25344 1 60 . 1 1 7 7 GLU CB C 13 29.578 0.069 . 1 . . . . 82 GLU CB . 25344 1 61 . 1 1 7 7 GLU CG C 13 36.414 0.000 . 1 . . . . 82 GLU CG . 25344 1 62 . 1 1 7 7 GLU N N 15 122.995 0.006 . 1 . . . . 82 GLU N . 25344 1 63 . 1 1 8 8 GLU H H 1 8.368 0.001 . 1 . . . . 83 GLU HN . 25344 1 64 . 1 1 8 8 GLU HA H 1 4.072 0.000 . 1 . . . . 83 GLU HA . 25344 1 65 . 1 1 8 8 GLU HB2 H 1 2.087 0.000 . 2 . . . . 83 GLU HB2 . 25344 1 66 . 1 1 8 8 GLU HB3 H 1 2.055 0.000 . 2 . . . . 83 GLU HB3 . 25344 1 67 . 1 1 8 8 GLU HG2 H 1 2.365 0.000 . 1 . . . . 83 GLU HG . 25344 1 68 . 1 1 8 8 GLU HG3 H 1 2.365 0.000 . 1 . . . . 83 GLU HG . 25344 1 69 . 1 1 8 8 GLU C C 13 178.714 0.010 . 1 . . . . 83 GLU CO . 25344 1 70 . 1 1 8 8 GLU CA C 13 59.556 0.020 . 1 . . . . 83 GLU CA . 25344 1 71 . 1 1 8 8 GLU CB C 13 29.335 0.054 . 1 . . . . 83 GLU CB . 25344 1 72 . 1 1 8 8 GLU CG C 13 36.143 0.000 . 1 . . . . 83 GLU CG . 25344 1 73 . 1 1 8 8 GLU N N 15 118.674 0.006 . 1 . . . . 83 GLU N . 25344 1 74 . 1 1 9 9 GLU H H 1 7.981 0.001 . 1 . . . . 84 GLU HN . 25344 1 75 . 1 1 9 9 GLU HA H 1 4.114 0.000 . 1 . . . . 84 GLU HA . 25344 1 76 . 1 1 9 9 GLU HB2 H 1 2.194 0.000 . 2 . . . . 84 GLU HB2 . 25344 1 77 . 1 1 9 9 GLU HB3 H 1 2.101 0.000 . 2 . . . . 84 GLU HB3 . 25344 1 78 . 1 1 9 9 GLU HG2 H 1 2.371 0.000 . 2 . . . . 84 GLU HG2 . 25344 1 79 . 1 1 9 9 GLU HG3 H 1 2.338 0.000 . 2 . . . . 84 GLU HG3 . 25344 1 80 . 1 1 9 9 GLU C C 13 179.608 0.005 . 1 . . . . 84 GLU CO . 25344 1 81 . 1 1 9 9 GLU CA C 13 59.354 0.034 . 1 . . . . 84 GLU CA . 25344 1 82 . 1 1 9 9 GLU CB C 13 29.680 0.032 . 1 . . . . 84 GLU CB . 25344 1 83 . 1 1 9 9 GLU N N 15 119.072 0.008 . 1 . . . . 84 GLU N . 25344 1 84 . 1 1 10 10 ILE H H 1 8.001 0.001 . 1 . . . . 85 ILE HN . 25344 1 85 . 1 1 10 10 ILE HA H 1 3.831 0.000 . 1 . . . . 85 ILE HA . 25344 1 86 . 1 1 10 10 ILE HB H 1 2.033 0.000 . 1 . . . . 85 ILE HB . 25344 1 87 . 1 1 10 10 ILE HG12 H 1 1.731 0.000 . 2 . . . . 85 ILE HG12 . 25344 1 88 . 1 1 10 10 ILE HG13 H 1 1.054 0.000 . 2 . . . . 85 ILE HG13 . 25344 1 89 . 1 1 10 10 ILE HG21 H 1 1.008 0.001 . 1 . . . . 85 ILE HG2 . 25344 1 90 . 1 1 10 10 ILE HG22 H 1 1.008 0.001 . 1 . . . . 85 ILE HG2 . 25344 1 91 . 1 1 10 10 ILE HG23 H 1 1.008 0.001 . 1 . . . . 85 ILE HG2 . 25344 1 92 . 1 1 10 10 ILE HD11 H 1 0.776 0.000 . 1 . . . . 85 ILE HD1 . 25344 1 93 . 1 1 10 10 ILE HD12 H 1 0.776 0.000 . 1 . . . . 85 ILE HD1 . 25344 1 94 . 1 1 10 10 ILE HD13 H 1 0.776 0.000 . 1 . . . . 85 ILE HD1 . 25344 1 95 . 1 1 10 10 ILE C C 13 177.359 0.003 . 1 . . . . 85 ILE CO . 25344 1 96 . 1 1 10 10 ILE CA C 13 64.841 0.016 . 1 . . . . 85 ILE CA . 25344 1 97 . 1 1 10 10 ILE CB C 13 37.731 0.041 . 1 . . . . 85 ILE CB . 25344 1 98 . 1 1 10 10 ILE CG1 C 13 29.242 0.000 . 1 . . . . 85 ILE CG1 . 25344 1 99 . 1 1 10 10 ILE CG2 C 13 19.151 0.017 . 1 . . . . 85 ILE CG2 . 25344 1 100 . 1 1 10 10 ILE CD1 C 13 13.433 0.040 . 1 . . . . 85 ILE CD1 . 25344 1 101 . 1 1 10 10 ILE N N 15 121.284 0.020 . 1 . . . . 85 ILE N . 25344 1 102 . 1 1 11 11 ARG H H 1 8.388 0.001 . 1 . . . . 86 ARG HN . 25344 1 103 . 1 1 11 11 ARG HA H 1 4.082 0.000 . 1 . . . . 86 ARG HA . 25344 1 104 . 1 1 11 11 ARG HB2 H 1 2.064 0.000 . 2 . . . . 86 ARG HB2 . 25344 1 105 . 1 1 11 11 ARG HB3 H 1 1.951 0.000 . 2 . . . . 86 ARG HB3 . 25344 1 106 . 1 1 11 11 ARG HG2 H 1 1.724 0.000 . 2 . . . . 86 ARG HG2 . 25344 1 107 . 1 1 11 11 ARG HG3 H 1 1.609 0.000 . 2 . . . . 86 ARG HG3 . 25344 1 108 . 1 1 11 11 ARG HD2 H 1 3.159 0.000 . 1 . . . . 86 ARG HD . 25344 1 109 . 1 1 11 11 ARG HD3 H 1 3.159 0.000 . 1 . . . . 86 ARG HD . 25344 1 110 . 1 1 11 11 ARG C C 13 179.139 0.003 . 1 . . . . 86 ARG CO . 25344 1 111 . 1 1 11 11 ARG CA C 13 60.530 0.023 . 1 . . . . 86 ARG CA . 25344 1 112 . 1 1 11 11 ARG CB C 13 30.218 0.035 . 1 . . . . 86 ARG CB . 25344 1 113 . 1 1 11 11 ARG CG C 13 28.310 0.000 . 1 . . . . 86 ARG CG . 25344 1 114 . 1 1 11 11 ARG CD C 13 43.380 0.000 . 1 . . . . 86 ARG CD . 25344 1 115 . 1 1 11 11 ARG N N 15 120.688 0.006 . 1 . . . . 86 ARG N . 25344 1 116 . 1 1 12 12 GLU H H 1 8.073 0.002 . 1 . . . . 87 GLU HN . 25344 1 117 . 1 1 12 12 GLU HA H 1 4.147 0.000 . 1 . . . . 87 GLU HA . 25344 1 118 . 1 1 12 12 GLU HB2 H 1 2.127 0.000 . 2 . . . . 87 GLU HB2 . 25344 1 119 . 1 1 12 12 GLU HB3 H 1 2.076 0.000 . 2 . . . . 87 GLU HB3 . 25344 1 120 . 1 1 12 12 GLU HG2 H 1 2.372 0.000 . 1 . . . . 87 GLU HG . 25344 1 121 . 1 1 12 12 GLU HG3 H 1 2.372 0.000 . 1 . . . . 87 GLU HG . 25344 1 122 . 1 1 12 12 GLU C C 13 178.088 0.005 . 1 . . . . 87 GLU CO . 25344 1 123 . 1 1 12 12 GLU CA C 13 58.874 0.019 . 1 . . . . 87 GLU CA . 25344 1 124 . 1 1 12 12 GLU CB C 13 29.340 0.009 . 1 . . . . 87 GLU CB . 25344 1 125 . 1 1 12 12 GLU CG C 13 35.747 0.000 . 1 . . . . 87 GLU CG . 25344 1 126 . 1 1 12 12 GLU N N 15 118.040 0.011 . 1 . . . . 87 GLU N . 25344 1 127 . 1 1 13 13 ALA H H 1 7.803 0.002 . 1 . . . . 88 ALA HN . 25344 1 128 . 1 1 13 13 ALA HB1 H 1 1.616 0.000 . 1 . . . . 88 ALA HB . 25344 1 129 . 1 1 13 13 ALA HB2 H 1 1.616 0.000 . 1 . . . . 88 ALA HB . 25344 1 130 . 1 1 13 13 ALA HB3 H 1 1.616 0.000 . 1 . . . . 88 ALA HB . 25344 1 131 . 1 1 13 13 ALA C C 13 179.212 0.000 . 1 . . . . 88 ALA CO . 25344 1 132 . 1 1 13 13 ALA CA C 13 55.002 0.026 . 1 . . . . 88 ALA CA . 25344 1 133 . 1 1 13 13 ALA CB C 13 18.075 0.075 . 1 . . . . 88 ALA CB . 25344 1 134 . 1 1 13 13 ALA N N 15 121.508 0.017 . 1 . . . . 88 ALA N . 25344 1 135 . 1 1 14 14 PHE H H 1 8.028 0.001 . 1 . . . . 89 PHE HN . 25344 1 136 . 1 1 14 14 PHE HA H 1 3.735 0.000 . 1 . . . . 89 PHE HA . 25344 1 137 . 1 1 14 14 PHE HB2 H 1 2.902 0.000 . 2 . . . . 89 PHE HB2 . 25344 1 138 . 1 1 14 14 PHE HB3 H 1 2.838 0.000 . 2 . . . . 89 PHE HB3 . 25344 1 139 . 1 1 14 14 PHE HD1 H 1 6.770 0.004 . 1 . . . . 89 PHE HD . 25344 1 140 . 1 1 14 14 PHE HD2 H 1 6.770 0.004 . 1 . . . . 89 PHE HD . 25344 1 141 . 1 1 14 14 PHE HE1 H 1 7.031 0.008 . 1 . . . . 89 PHE HE . 25344 1 142 . 1 1 14 14 PHE HE2 H 1 7.031 0.008 . 1 . . . . 89 PHE HE . 25344 1 143 . 1 1 14 14 PHE HZ H 1 7.101 0.000 . 1 . . . . 89 PHE HZ . 25344 1 144 . 1 1 14 14 PHE C C 13 176.500 0.002 . 1 . . . . 89 PHE CO . 25344 1 145 . 1 1 14 14 PHE CA C 13 61.075 0.012 . 1 . . . . 89 PHE CA . 25344 1 146 . 1 1 14 14 PHE CB C 13 39.462 0.024 . 1 . . . . 89 PHE CB . 25344 1 147 . 1 1 14 14 PHE CD1 C 13 131.802 0.022 . 1 . . . . 89 PHE CD . 25344 1 148 . 1 1 14 14 PHE CD2 C 13 131.802 0.022 . 1 . . . . 89 PHE CD . 25344 1 149 . 1 1 14 14 PHE CE1 C 13 130.966 0.000 . 1 . . . . 89 PHE CE . 25344 1 150 . 1 1 14 14 PHE CE2 C 13 130.966 0.000 . 1 . . . . 89 PHE CE . 25344 1 151 . 1 1 14 14 PHE CZ C 13 129.339 0.000 . 1 . . . . 89 PHE CZ . 25344 1 152 . 1 1 14 14 PHE N N 15 116.334 0.014 . 1 . . . . 89 PHE N . 25344 1 153 . 1 1 15 15 ARG H H 1 7.827 0.003 . 1 . . . . 90 ARG HN . 25344 1 154 . 1 1 15 15 ARG HA H 1 3.881 0.000 . 1 . . . . 90 ARG HA . 25344 1 155 . 1 1 15 15 ARG HB2 H 1 1.958 0.000 . 1 . . . . 90 ARG HB . 25344 1 156 . 1 1 15 15 ARG HB3 H 1 1.958 0.000 . 1 . . . . 90 ARG HB . 25344 1 157 . 1 1 15 15 ARG HG2 H 1 1.853 0.000 . 2 . . . . 90 ARG HG2 . 25344 1 158 . 1 1 15 15 ARG HG3 H 1 1.692 0.000 . 2 . . . . 90 ARG HG3 . 25344 1 159 . 1 1 15 15 ARG HD2 H 1 3.258 0.000 . 2 . . . . 90 ARG HD2 . 25344 1 160 . 1 1 15 15 ARG HD3 H 1 3.212 0.000 . 2 . . . . 90 ARG HD3 . 25344 1 161 . 1 1 15 15 ARG C C 13 179.083 0.003 . 1 . . . . 90 ARG CO . 25344 1 162 . 1 1 15 15 ARG CA C 13 59.242 0.021 . 1 . . . . 90 ARG CA . 25344 1 163 . 1 1 15 15 ARG CB C 13 30.459 0.083 . 1 . . . . 90 ARG CB . 25344 1 164 . 1 1 15 15 ARG CG C 13 27.640 0.000 . 1 . . . . 90 ARG CG . 25344 1 165 . 1 1 15 15 ARG N N 15 115.931 0.012 . 1 . . . . 90 ARG N . 25344 1 166 . 1 1 16 16 VAL H H 1 7.747 0.004 . 1 . . . . 91 VAL HN . 25344 1 167 . 1 1 16 16 VAL HA H 1 3.533 0.000 . 1 . . . . 91 VAL HA . 25344 1 168 . 1 1 16 16 VAL HB H 1 1.850 0.000 . 1 . . . . 91 VAL HB . 25344 1 169 . 1 1 16 16 VAL HG11 H 1 0.425 0.001 . 1 . . . . 91 VAL HG1 . 25344 1 170 . 1 1 16 16 VAL HG12 H 1 0.425 0.001 . 1 . . . . 91 VAL HG1 . 25344 1 171 . 1 1 16 16 VAL HG13 H 1 0.425 0.001 . 1 . . . . 91 VAL HG1 . 25344 1 172 . 1 1 16 16 VAL HG21 H 1 0.890 0.001 . 1 . . . . 91 VAL HG2 . 25344 1 173 . 1 1 16 16 VAL HG22 H 1 0.890 0.001 . 1 . . . . 91 VAL HG2 . 25344 1 174 . 1 1 16 16 VAL HG23 H 1 0.890 0.001 . 1 . . . . 91 VAL HG2 . 25344 1 175 . 1 1 16 16 VAL C C 13 177.603 0.002 . 1 . . . . 91 VAL CO . 25344 1 176 . 1 1 16 16 VAL CA C 13 65.465 0.007 . 1 . . . . 91 VAL CA . 25344 1 177 . 1 1 16 16 VAL CB C 13 31.947 0.050 . 1 . . . . 91 VAL CB . 25344 1 178 . 1 1 16 16 VAL CG1 C 13 20.697 0.004 . 1 . . . . 91 VAL CG1 . 25344 1 179 . 1 1 16 16 VAL CG2 C 13 22.303 0.021 . 1 . . . . 91 VAL CG2 . 25344 1 180 . 1 1 16 16 VAL N N 15 117.649 0.180 . 1 . . . . 91 VAL N . 25344 1 181 . 1 1 17 17 PHE H H 1 7.648 0.001 . 1 . . . . 92 PHE HN . 25344 1 182 . 1 1 17 17 PHE HA H 1 4.405 0.000 . 1 . . . . 92 PHE HA . 25344 1 183 . 1 1 17 17 PHE HB2 H 1 3.191 0.000 . 2 . . . . 92 PHE HB2 . 25344 1 184 . 1 1 17 17 PHE HB3 H 1 2.714 0.000 . 2 . . . . 92 PHE HB3 . 25344 1 185 . 1 1 17 17 PHE HD1 H 1 7.394 0.003 . 1 . . . . 92 PHE HD . 25344 1 186 . 1 1 17 17 PHE HD2 H 1 7.394 0.003 . 1 . . . . 92 PHE HD . 25344 1 187 . 1 1 17 17 PHE HE1 H 1 7.311 0.000 . 1 . . . . 92 PHE HE . 25344 1 188 . 1 1 17 17 PHE HE2 H 1 7.311 0.000 . 1 . . . . 92 PHE HE . 25344 1 189 . 1 1 17 17 PHE HZ H 1 7.158 0.005 . 1 . . . . 92 PHE HZ . 25344 1 190 . 1 1 17 17 PHE C C 13 176.128 0.002 . 1 . . . . 92 PHE CO . 25344 1 191 . 1 1 17 17 PHE CA C 13 59.584 0.020 . 1 . . . . 92 PHE CA . 25344 1 192 . 1 1 17 17 PHE CB C 13 39.075 0.034 . 1 . . . . 92 PHE CB . 25344 1 193 . 1 1 17 17 PHE CD1 C 13 131.757 0.045 . 1 . . . . 92 PHE CD . 25344 1 194 . 1 1 17 17 PHE CD2 C 13 131.757 0.045 . 1 . . . . 92 PHE CD . 25344 1 195 . 1 1 17 17 PHE CE1 C 13 131.202 0.000 . 1 . . . . 92 PHE CE . 25344 1 196 . 1 1 17 17 PHE CE2 C 13 131.202 0.000 . 1 . . . . 92 PHE CE . 25344 1 197 . 1 1 17 17 PHE CZ C 13 129.594 0.009 . 1 . . . . 92 PHE CZ . 25344 1 198 . 1 1 17 17 PHE N N 15 115.457 0.009 . 1 . . . . 92 PHE N . 25344 1 199 . 1 1 18 18 ASP H H 1 7.573 0.002 . 1 . . . . 93 ASP HN . 25344 1 200 . 1 1 18 18 ASP HA H 1 4.936 0.000 . 1 . . . . 93 ASP HA . 25344 1 201 . 1 1 18 18 ASP HB2 H 1 2.796 0.000 . 2 . . . . 93 ASP HB2 . 25344 1 202 . 1 1 18 18 ASP HB3 H 1 2.029 0.000 . 2 . . . . 93 ASP HB3 . 25344 1 203 . 1 1 18 18 ASP C C 13 177.665 0.016 . 1 . . . . 93 ASP CO . 25344 1 204 . 1 1 18 18 ASP CA C 13 52.529 0.056 . 1 . . . . 93 ASP CA . 25344 1 205 . 1 1 18 18 ASP CB C 13 38.973 0.040 . 1 . . . . 93 ASP CB . 25344 1 206 . 1 1 18 18 ASP N N 15 120.317 0.007 . 1 . . . . 93 ASP N . 25344 1 207 . 1 1 19 19 LYS H H 1 7.940 0.001 . 1 . . . . 94 LYS HN . 25344 1 208 . 1 1 19 19 LYS HA H 1 3.992 0.000 . 1 . . . . 94 LYS HA . 25344 1 209 . 1 1 19 19 LYS HB2 H 1 1.923 0.000 . 1 . . . . 94 LYS HB . 25344 1 210 . 1 1 19 19 LYS HB3 H 1 1.923 0.000 . 1 . . . . 94 LYS HB . 25344 1 211 . 1 1 19 19 LYS HG2 H 1 1.590 0.000 . 2 . . . . 94 LYS HG2 . 25344 1 212 . 1 1 19 19 LYS HG3 H 1 1.506 0.000 . 2 . . . . 94 LYS HG3 . 25344 1 213 . 1 1 19 19 LYS HD2 H 1 1.725 0.000 . 1 . . . . 94 LYS HD . 25344 1 214 . 1 1 19 19 LYS HD3 H 1 1.725 0.000 . 1 . . . . 94 LYS HD . 25344 1 215 . 1 1 19 19 LYS HE2 H 1 3.000 0.000 . 1 . . . . 94 LYS HE . 25344 1 216 . 1 1 19 19 LYS HE3 H 1 3.000 0.000 . 1 . . . . 94 LYS HE . 25344 1 217 . 1 1 19 19 LYS C C 13 177.882 0.000 . 1 . . . . 94 LYS CO . 25344 1 218 . 1 1 19 19 LYS CA C 13 59.083 0.019 . 1 . . . . 94 LYS CA . 25344 1 219 . 1 1 19 19 LYS CB C 13 32.590 0.050 . 1 . . . . 94 LYS CB . 25344 1 220 . 1 1 19 19 LYS CG C 13 24.824 0.000 . 1 . . . . 94 LYS CG . 25344 1 221 . 1 1 19 19 LYS CD C 13 28.584 0.000 . 1 . . . . 94 LYS CD . 25344 1 222 . 1 1 19 19 LYS CE C 13 42.139 0.000 . 1 . . . . 94 LYS CE . 25344 1 223 . 1 1 19 19 LYS N N 15 125.122 0.016 . 1 . . . . 94 LYS N . 25344 1 224 . 1 1 20 20 ASP H H 1 8.323 0.002 . 1 . . . . 95 ASP HN . 25344 1 225 . 1 1 20 20 ASP HA H 1 4.582 0.000 . 1 . . . . 95 ASP HA . 25344 1 226 . 1 1 20 20 ASP HB2 H 1 2.990 0.000 . 2 . . . . 95 ASP HB2 . 25344 1 227 . 1 1 20 20 ASP HB3 H 1 2.672 0.000 . 2 . . . . 95 ASP HB3 . 25344 1 228 . 1 1 20 20 ASP C C 13 177.443 0.005 . 1 . . . . 95 ASP CO . 25344 1 229 . 1 1 20 20 ASP CA C 13 53.114 0.035 . 1 . . . . 95 ASP CA . 25344 1 230 . 1 1 20 20 ASP CB C 13 39.528 0.059 . 1 . . . . 95 ASP CB . 25344 1 231 . 1 1 20 20 ASP N N 15 113.660 0.006 . 1 . . . . 95 ASP N . 25344 1 232 . 1 1 21 21 GLY H H 1 7.653 0.002 . 1 . . . . 96 GLY HN . 25344 1 233 . 1 1 21 21 GLY HA2 H 1 3.901 0.000 . 2 . . . . 96 GLY HA2 . 25344 1 234 . 1 1 21 21 GLY HA3 H 1 3.817 0.000 . 2 . . . . 96 GLY HA3 . 25344 1 235 . 1 1 21 21 GLY C C 13 174.962 0.001 . 1 . . . . 96 GLY CO . 25344 1 236 . 1 1 21 21 GLY CA C 13 47.207 0.023 . 1 . . . . 96 GLY CA . 25344 1 237 . 1 1 21 21 GLY N N 15 108.701 0.019 . 1 . . . . 96 GLY N . 25344 1 238 . 1 1 22 22 ASN H H 1 8.189 0.001 . 1 . . . . 97 ASN HN . 25344 1 239 . 1 1 22 22 ASN HA H 1 4.756 0.000 . 1 . . . . 97 ASN HA . 25344 1 240 . 1 1 22 22 ASN HB2 H 1 3.446 0.009 . 2 . . . . 97 ASN HB2 . 25344 1 241 . 1 1 22 22 ASN HB3 H 1 2.755 0.013 . 2 . . . . 97 ASN HB3 . 25344 1 242 . 1 1 22 22 ASN C C 13 176.271 0.006 . 1 . . . . 97 ASN CO . 25344 1 243 . 1 1 22 22 ASN CA C 13 52.606 0.026 . 1 . . . . 97 ASN CA . 25344 1 244 . 1 1 22 22 ASN CB C 13 38.483 0.095 . 1 . . . . 97 ASN CB . 25344 1 245 . 1 1 22 22 ASN N N 15 118.325 0.006 . 1 . . . . 97 ASN N . 25344 1 246 . 1 1 23 23 GLY H H 1 10.504 0.002 . 1 . . . . 98 GLY HN . 25344 1 247 . 1 1 23 23 GLY HA2 H 1 4.047 0.010 . 2 . . . . 98 GLY HA2 . 25344 1 248 . 1 1 23 23 GLY HA3 H 1 3.383 0.009 . 2 . . . . 98 GLY HA3 . 25344 1 249 . 1 1 23 23 GLY C C 13 172.605 0.005 . 1 . . . . 98 GLY CO . 25344 1 250 . 1 1 23 23 GLY CA C 13 45.571 0.022 . 1 . . . . 98 GLY CA . 25344 1 251 . 1 1 23 23 GLY N N 15 112.977 0.007 . 1 . . . . 98 GLY N . 25344 1 252 . 1 1 24 24 TYR H H 1 7.710 0.001 . 1 . . . . 99 TYR HN . 25344 1 253 . 1 1 24 24 TYR HA H 1 5.284 0.000 . 1 . . . . 99 TYR HA . 25344 1 254 . 1 1 24 24 TYR HB2 H 1 2.723 0.000 . 2 . . . . 99 TYR HB2 . 25344 1 255 . 1 1 24 24 TYR HB3 H 1 2.671 0.000 . 2 . . . . 99 TYR HB3 . 25344 1 256 . 1 1 24 24 TYR HD1 H 1 6.795 0.004 . 1 . . . . 99 TYR HD . 25344 1 257 . 1 1 24 24 TYR HD2 H 1 6.795 0.004 . 1 . . . . 99 TYR HD . 25344 1 258 . 1 1 24 24 TYR HE1 H 1 6.883 0.004 . 1 . . . . 99 TYR HE . 25344 1 259 . 1 1 24 24 TYR HE2 H 1 6.883 0.004 . 1 . . . . 99 TYR HE . 25344 1 260 . 1 1 24 24 TYR C C 13 175.522 0.010 . 1 . . . . 99 TYR CO . 25344 1 261 . 1 1 24 24 TYR CA C 13 56.261 0.078 . 1 . . . . 99 TYR CA . 25344 1 262 . 1 1 24 24 TYR CB C 13 42.671 0.060 . 1 . . . . 99 TYR CB . 25344 1 263 . 1 1 24 24 TYR CD1 C 13 133.439 0.021 . 1 . . . . 99 TYR CD . 25344 1 264 . 1 1 24 24 TYR CD2 C 13 133.439 0.021 . 1 . . . . 99 TYR CD . 25344 1 265 . 1 1 24 24 TYR CE1 C 13 118.228 0.028 . 1 . . . . 99 TYR CE . 25344 1 266 . 1 1 24 24 TYR CE2 C 13 118.228 0.028 . 1 . . . . 99 TYR CE . 25344 1 267 . 1 1 24 24 TYR N N 15 116.504 0.006 . 1 . . . . 99 TYR N . 25344 1 268 . 1 1 25 25 ILE H H 1 9.263 0.002 . 1 . . . . 100 ILE HN . 25344 1 269 . 1 1 25 25 ILE HA H 1 5.193 0.000 . 1 . . . . 100 ILE HA . 25344 1 270 . 1 1 25 25 ILE HB H 1 2.120 0.000 . 1 . . . . 100 ILE HB . 25344 1 271 . 1 1 25 25 ILE HG12 H 1 0.969 0.000 . 2 . . . . 100 ILE HG12 . 25344 1 272 . 1 1 25 25 ILE HG13 H 1 0.864 0.000 . 2 . . . . 100 ILE HG13 . 25344 1 273 . 1 1 25 25 ILE HG21 H 1 0.900 0.000 . 1 . . . . 100 ILE HG2 . 25344 1 274 . 1 1 25 25 ILE HG22 H 1 0.900 0.000 . 1 . . . . 100 ILE HG2 . 25344 1 275 . 1 1 25 25 ILE HG23 H 1 0.900 0.000 . 1 . . . . 100 ILE HG2 . 25344 1 276 . 1 1 25 25 ILE HD11 H 1 0.338 0.001 . 1 . . . . 100 ILE HD1 . 25344 1 277 . 1 1 25 25 ILE HD12 H 1 0.338 0.001 . 1 . . . . 100 ILE HD1 . 25344 1 278 . 1 1 25 25 ILE HD13 H 1 0.338 0.001 . 1 . . . . 100 ILE HD1 . 25344 1 279 . 1 1 25 25 ILE C C 13 174.889 0.007 . 1 . . . . 100 ILE CO . 25344 1 280 . 1 1 25 25 ILE CA C 13 58.626 0.008 . 1 . . . . 100 ILE CA . 25344 1 281 . 1 1 25 25 ILE CB C 13 39.425 0.084 . 1 . . . . 100 ILE CB . 25344 1 282 . 1 1 25 25 ILE CG1 C 13 25.934 0.000 . 1 . . . . 100 ILE CG1 . 25344 1 283 . 1 1 25 25 ILE CG2 C 13 17.834 0.003 . 1 . . . . 100 ILE CG2 . 25344 1 284 . 1 1 25 25 ILE CD1 C 13 11.627 0.004 . 1 . . . . 100 ILE CD1 . 25344 1 285 . 1 1 25 25 ILE N N 15 122.205 0.031 . 1 . . . . 100 ILE N . 25344 1 286 . 1 1 26 26 SER H H 1 8.863 0.002 . 1 . . . . 101 SER HN . 25344 1 287 . 1 1 26 26 SER HA H 1 5.087 0.000 . 1 . . . . 101 SER HA . 25344 1 288 . 1 1 26 26 SER HB2 H 1 4.394 0.000 . 2 . . . . 101 SER HB2 . 25344 1 289 . 1 1 26 26 SER HB3 H 1 3.999 0.000 . 2 . . . . 101 SER HB3 . 25344 1 290 . 1 1 26 26 SER C C 13 175.435 0.000 . 1 . . . . 101 SER CO . 25344 1 291 . 1 1 26 26 SER CA C 13 56.668 0.045 . 1 . . . . 101 SER CA . 25344 1 292 . 1 1 26 26 SER CB C 13 65.854 0.046 . 1 . . . . 101 SER CB . 25344 1 293 . 1 1 26 26 SER N N 15 120.766 0.019 . 1 . . . . 101 SER N . 25344 1 294 . 1 1 27 27 ALA H H 1 8.723 0.001 . 1 . . . . 102 ALA HN . 25344 1 295 . 1 1 27 27 ALA HA H 1 3.877 0.000 . 1 . . . . 102 ALA HA . 25344 1 296 . 1 1 27 27 ALA HB1 H 1 1.453 0.000 . 1 . . . . 102 ALA HB . 25344 1 297 . 1 1 27 27 ALA HB2 H 1 1.453 0.000 . 1 . . . . 102 ALA HB . 25344 1 298 . 1 1 27 27 ALA HB3 H 1 1.453 0.000 . 1 . . . . 102 ALA HB . 25344 1 299 . 1 1 27 27 ALA C C 13 179.013 0.002 . 1 . . . . 102 ALA CO . 25344 1 300 . 1 1 27 27 ALA CA C 13 55.952 0.025 . 1 . . . . 102 ALA CA . 25344 1 301 . 1 1 27 27 ALA CB C 13 18.219 0.077 . 1 . . . . 102 ALA CB . 25344 1 302 . 1 1 27 27 ALA N N 15 123.241 0.013 . 1 . . . . 102 ALA N . 25344 1 303 . 1 1 28 28 ALA H H 1 8.248 0.001 . 1 . . . . 103 ALA HN . 25344 1 304 . 1 1 28 28 ALA HA H 1 4.002 0.000 . 1 . . . . 103 ALA HA . 25344 1 305 . 1 1 28 28 ALA HB1 H 1 1.411 0.000 . 1 . . . . 103 ALA HB . 25344 1 306 . 1 1 28 28 ALA HB2 H 1 1.411 0.000 . 1 . . . . 103 ALA HB . 25344 1 307 . 1 1 28 28 ALA HB3 H 1 1.411 0.000 . 1 . . . . 103 ALA HB . 25344 1 308 . 1 1 28 28 ALA CA C 13 55.141 0.004 . 1 . . . . 103 ALA CA . 25344 1 309 . 1 1 28 28 ALA CB C 13 18.482 0.060 . 1 . . . . 103 ALA CB . 25344 1 310 . 1 1 28 28 ALA N N 15 118.512 0.007 . 1 . . . . 103 ALA N . 25344 1 311 . 1 1 29 29 GLU H H 1 7.603 0.004 . 1 . . . . 104 GLU HN . 25344 1 312 . 1 1 29 29 GLU HA H 1 3.956 0.000 . 1 . . . . 104 GLU HA . 25344 1 313 . 1 1 29 29 GLU HB2 H 1 2.237 0.000 . 1 . . . . 104 GLU HB . 25344 1 314 . 1 1 29 29 GLU HB3 H 1 2.237 0.000 . 1 . . . . 104 GLU HB . 25344 1 315 . 1 1 29 29 GLU HG2 H 1 2.372 0.000 . 1 . . . . 104 GLU HG . 25344 1 316 . 1 1 29 29 GLU HG3 H 1 2.372 0.000 . 1 . . . . 104 GLU HG . 25344 1 317 . 1 1 29 29 GLU C C 13 178.750 0.015 . 1 . . . . 104 GLU CO . 25344 1 318 . 1 1 29 29 GLU CA C 13 58.749 0.082 . 1 . . . . 104 GLU CA . 25344 1 319 . 1 1 29 29 GLU CB C 13 29.265 0.140 . 1 . . . . 104 GLU CB . 25344 1 320 . 1 1 29 29 GLU CG C 13 37.420 0.000 . 1 . . . . 104 GLU CG . 25344 1 321 . 1 1 29 29 GLU N N 15 118.892 0.021 . 1 . . . . 104 GLU N . 25344 1 322 . 1 1 30 30 LEU H H 1 8.561 0.002 . 1 . . . . 105 LEU HN . 25344 1 323 . 1 1 30 30 LEU HA H 1 3.901 0.000 . 1 . . . . 105 LEU HA . 25344 1 324 . 1 1 30 30 LEU HB2 H 1 1.844 0.000 . 2 . . . . 105 LEU HB2 . 25344 1 325 . 1 1 30 30 LEU HB3 H 1 1.422 0.000 . 2 . . . . 105 LEU HB3 . 25344 1 326 . 1 1 30 30 LEU HG H 1 1.488 0.000 . 1 . . . . 105 LEU HG . 25344 1 327 . 1 1 30 30 LEU HD11 H 1 0.676 0.000 . 1 . . . . 105 LEU HD . 25344 1 328 . 1 1 30 30 LEU HD12 H 1 0.676 0.000 . 1 . . . . 105 LEU HD . 25344 1 329 . 1 1 30 30 LEU HD13 H 1 0.676 0.000 . 1 . . . . 105 LEU HD . 25344 1 330 . 1 1 30 30 LEU HD21 H 1 0.676 0.000 . 1 . . . . 105 LEU HD . 25344 1 331 . 1 1 30 30 LEU HD22 H 1 0.676 0.000 . 1 . . . . 105 LEU HD . 25344 1 332 . 1 1 30 30 LEU HD23 H 1 0.676 0.000 . 1 . . . . 105 LEU HD . 25344 1 333 . 1 1 30 30 LEU C C 13 178.584 0.000 . 1 . . . . 105 LEU CO . 25344 1 334 . 1 1 30 30 LEU CA C 13 57.837 0.022 . 1 . . . . 105 LEU CA . 25344 1 335 . 1 1 30 30 LEU CB C 13 41.828 0.054 . 1 . . . . 105 LEU CB . 25344 1 336 . 1 1 30 30 LEU CG C 13 27.019 0.000 . 1 . . . . 105 LEU CG . 25344 1 337 . 1 1 30 30 LEU CD1 C 13 24.498 0.022 . 1 . . . . 105 LEU CD1 . 25344 1 338 . 1 1 30 30 LEU CD2 C 13 26.047 0.012 . 1 . . . . 105 LEU CD2 . 25344 1 339 . 1 1 30 30 LEU N N 15 121.080 0.018 . 1 . . . . 105 LEU N . 25344 1 340 . 1 1 31 31 ARG H H 1 8.207 0.003 . 1 . . . . 106 ARG HN . 25344 1 341 . 1 1 31 31 ARG HA H 1 3.768 0.000 . 1 . . . . 106 ARG HA . 25344 1 342 . 1 1 31 31 ARG HB2 H 1 1.825 0.000 . 1 . . . . 106 ARG HB . 25344 1 343 . 1 1 31 31 ARG HB3 H 1 1.825 0.000 . 1 . . . . 106 ARG HB . 25344 1 344 . 1 1 31 31 ARG HG2 H 1 1.700 0.000 . 2 . . . . 106 ARG HG2 . 25344 1 345 . 1 1 31 31 ARG HG3 H 1 1.550 0.000 . 2 . . . . 106 ARG HG3 . 25344 1 346 . 1 1 31 31 ARG HD2 H 1 3.223 0.000 . 2 . . . . 106 ARG HD2 . 25344 1 347 . 1 1 31 31 ARG HD3 H 1 3.088 0.000 . 2 . . . . 106 ARG HD3 . 25344 1 348 . 1 1 31 31 ARG C C 13 178.619 0.009 . 1 . . . . 106 ARG CO . 25344 1 349 . 1 1 31 31 ARG CA C 13 60.041 0.045 . 1 . . . . 106 ARG CA . 25344 1 350 . 1 1 31 31 ARG CB C 13 30.090 0.218 . 1 . . . . 106 ARG CB . 25344 1 351 . 1 1 31 31 ARG CD C 13 43.548 0.000 . 1 . . . . 106 ARG CD . 25344 1 352 . 1 1 31 31 ARG N N 15 118.037 0.132 . 1 . . . . 106 ARG N . 25344 1 353 . 1 1 32 32 HIS H H 1 7.494 0.001 . 1 . . . . 107 HIS HN . 25344 1 354 . 1 1 32 32 HIS HA H 1 4.361 0.000 . 1 . . . . 107 HIS HA . 25344 1 355 . 1 1 32 32 HIS HB2 H 1 3.269 0.000 . 1 . . . . 107 HIS HB . 25344 1 356 . 1 1 32 32 HIS HB3 H 1 3.269 0.000 . 1 . . . . 107 HIS HB . 25344 1 357 . 1 1 32 32 HIS HD2 H 1 7.164 0.003 . 1 . . . . 107 HIS HD2 . 25344 1 358 . 1 1 32 32 HIS HE1 H 1 8.137 0.000 . 1 . . . . 107 HIS HE1 . 25344 1 359 . 1 1 32 32 HIS C C 13 177.376 0.001 . 1 . . . . 107 HIS CO . 25344 1 360 . 1 1 32 32 HIS CA C 13 58.836 0.022 . 1 . . . . 107 HIS CA . 25344 1 361 . 1 1 32 32 HIS CB C 13 29.714 0.059 . 1 . . . . 107 HIS CB . 25344 1 362 . 1 1 32 32 HIS CD2 C 13 120.167 0.029 . 1 . . . . 107 HIS CD2 . 25344 1 363 . 1 1 32 32 HIS CE1 C 13 138.190 0.000 . 1 . . . . 107 HIS CE1 . 25344 1 364 . 1 1 32 32 HIS N N 15 117.686 0.006 . 1 . . . . 107 HIS N . 25344 1 365 . 1 1 33 33 VAL H H 1 7.802 0.001 . 1 . . . . 108 VAL HN . 25344 1 366 . 1 1 33 33 VAL HA H 1 3.205 0.000 . 1 . . . . 108 VAL HA . 25344 1 367 . 1 1 33 33 VAL HB H 1 2.150 0.000 . 1 . . . . 108 VAL HB . 25344 1 368 . 1 1 33 33 VAL HG11 H 1 0.575 0.000 . 1 . . . . 108 VAL HG1 . 25344 1 369 . 1 1 33 33 VAL HG12 H 1 0.575 0.000 . 1 . . . . 108 VAL HG1 . 25344 1 370 . 1 1 33 33 VAL HG13 H 1 0.575 0.000 . 1 . . . . 108 VAL HG1 . 25344 1 371 . 1 1 33 33 VAL HG21 H 1 0.873 0.000 . 1 . . . . 108 VAL HG2 . 25344 1 372 . 1 1 33 33 VAL HG22 H 1 0.873 0.000 . 1 . . . . 108 VAL HG2 . 25344 1 373 . 1 1 33 33 VAL HG23 H 1 0.873 0.000 . 1 . . . . 108 VAL HG2 . 25344 1 374 . 1 1 33 33 VAL C C 13 178.010 0.009 . 1 . . . . 108 VAL CO . 25344 1 375 . 1 1 33 33 VAL CA C 13 66.000 0.036 . 1 . . . . 108 VAL CA . 25344 1 376 . 1 1 33 33 VAL CB C 13 31.809 0.100 . 1 . . . . 108 VAL CB . 25344 1 377 . 1 1 33 33 VAL CG1 C 13 21.287 0.007 . 1 . . . . 108 VAL CG1 . 25344 1 378 . 1 1 33 33 VAL CG2 C 13 22.764 0.000 . 1 . . . . 108 VAL CG2 . 25344 1 379 . 1 1 33 33 VAL N N 15 120.037 0.007 . 1 . . . . 108 VAL N . 25344 1 380 . 1 1 34 34 MET H H 1 8.141 0.001 . 1 . . . . 109 MET HN . 25344 1 381 . 1 1 34 34 MET HA H 1 4.264 0.000 . 1 . . . . 109 MET HA . 25344 1 382 . 1 1 34 34 MET HB2 H 1 2.167 0.000 . 2 . . . . 109 MET HB2 . 25344 1 383 . 1 1 34 34 MET HB3 H 1 2.038 0.000 . 2 . . . . 109 MET HB3 . 25344 1 384 . 1 1 34 34 MET HG2 H 1 2.691 0.009 . 2 . . . . 109 MET HG2 . 25344 1 385 . 1 1 34 34 MET HG3 H 1 2.603 0.000 . 2 . . . . 109 MET HG3 . 25344 1 386 . 1 1 34 34 MET HE1 H 1 2.029 0.000 . 1 . . . . 109 MET HE . 25344 1 387 . 1 1 34 34 MET HE2 H 1 2.029 0.000 . 1 . . . . 109 MET HE . 25344 1 388 . 1 1 34 34 MET HE3 H 1 2.029 0.000 . 1 . . . . 109 MET HE . 25344 1 389 . 1 1 34 34 MET C C 13 178.778 0.004 . 1 . . . . 109 MET CO . 25344 1 390 . 1 1 34 34 MET CA C 13 57.521 0.009 . 1 . . . . 109 MET CA . 25344 1 391 . 1 1 34 34 MET CB C 13 31.403 0.076 . 1 . . . . 109 MET CB . 25344 1 392 . 1 1 34 34 MET CG C 13 32.690 0.000 . 1 . . . . 109 MET CG . 25344 1 393 . 1 1 34 34 MET CE C 13 17.554 0.000 . 1 . . . . 109 MET CE . 25344 1 394 . 1 1 34 34 MET N N 15 115.831 0.006 . 1 . . . . 109 MET N . 25344 1 395 . 1 1 35 35 THR H H 1 8.013 0.001 . 1 . . . . 110 THR HN . 25344 1 396 . 1 1 35 35 THR HA H 1 4.187 0.000 . 1 . . . . 110 THR HA . 25344 1 397 . 1 1 35 35 THR HB H 1 4.299 0.000 . 1 . . . . 110 THR HB . 25344 1 398 . 1 1 35 35 THR HG21 H 1 1.290 0.001 . 1 . . . . 110 THR HG2 . 25344 1 399 . 1 1 35 35 THR HG22 H 1 1.290 0.001 . 1 . . . . 110 THR HG2 . 25344 1 400 . 1 1 35 35 THR HG23 H 1 1.290 0.001 . 1 . . . . 110 THR HG2 . 25344 1 401 . 1 1 35 35 THR C C 13 176.967 0.010 . 1 . . . . 110 THR CO . 25344 1 402 . 1 1 35 35 THR CA C 13 65.411 0.018 . 1 . . . . 110 THR CA . 25344 1 403 . 1 1 35 35 THR CB C 13 69.011 0.001 . 1 . . . . 110 THR CB . 25344 1 404 . 1 1 35 35 THR CG2 C 13 21.803 0.016 . 1 . . . . 110 THR CG2 . 25344 1 405 . 1 1 35 35 THR N N 15 113.637 0.090 . 1 . . . . 110 THR N . 25344 1 406 . 1 1 36 36 ASN H H 1 7.862 0.010 . 1 . . . . 111 ASN HN . 25344 1 407 . 1 1 36 36 ASN HA H 1 4.610 0.000 . 1 . . . . 111 ASN HA . 25344 1 408 . 1 1 36 36 ASN HB2 H 1 2.838 0.000 . 1 . . . . 111 ASN HB . 25344 1 409 . 1 1 36 36 ASN HB3 H 1 2.838 0.000 . 1 . . . . 111 ASN HB . 25344 1 410 . 1 1 36 36 ASN C C 13 176.226 0.000 . 1 . . . . 111 ASN CO . 25344 1 411 . 1 1 36 36 ASN CA C 13 55.859 0.045 . 1 . . . . 111 ASN CA . 25344 1 412 . 1 1 36 36 ASN CB C 13 39.489 0.003 . 1 . . . . 111 ASN CB . 25344 1 413 . 1 1 36 36 ASN N N 15 121.306 0.010 . 1 . . . . 111 ASN N . 25344 1 414 . 1 1 37 37 LEU H H 1 7.826 0.002 . 1 . . . . 112 LEU HN . 25344 1 415 . 1 1 37 37 LEU HA H 1 4.376 0.000 . 1 . . . . 112 LEU HA . 25344 1 416 . 1 1 37 37 LEU HB2 H 1 1.805 0.000 . 2 . . . . 112 LEU HB2 . 25344 1 417 . 1 1 37 37 LEU HB3 H 1 1.715 0.000 . 2 . . . . 112 LEU HB3 . 25344 1 418 . 1 1 37 37 LEU HG H 1 1.805 0.000 . 1 . . . . 112 LEU HG . 25344 1 419 . 1 1 37 37 LEU HD11 H 1 0.861 0.007 . 1 . . . . 112 LEU HD . 25344 1 420 . 1 1 37 37 LEU HD12 H 1 0.861 0.007 . 1 . . . . 112 LEU HD . 25344 1 421 . 1 1 37 37 LEU HD13 H 1 0.861 0.007 . 1 . . . . 112 LEU HD . 25344 1 422 . 1 1 37 37 LEU HD21 H 1 0.861 0.007 . 1 . . . . 112 LEU HD . 25344 1 423 . 1 1 37 37 LEU HD22 H 1 0.861 0.007 . 1 . . . . 112 LEU HD . 25344 1 424 . 1 1 37 37 LEU HD23 H 1 0.861 0.007 . 1 . . . . 112 LEU HD . 25344 1 425 . 1 1 37 37 LEU C C 13 177.516 0.001 . 1 . . . . 112 LEU CO . 25344 1 426 . 1 1 37 37 LEU CA C 13 55.470 0.032 . 1 . . . . 112 LEU CA . 25344 1 427 . 1 1 37 37 LEU CB C 13 42.650 0.060 . 1 . . . . 112 LEU CB . 25344 1 428 . 1 1 37 37 LEU CG C 13 26.631 0.000 . 1 . . . . 112 LEU CG . 25344 1 429 . 1 1 37 37 LEU CD1 C 13 26.004 0.006 . 1 . . . . 112 LEU CD1 . 25344 1 430 . 1 1 37 37 LEU CD2 C 13 22.881 0.057 . 1 . . . . 112 LEU CD2 . 25344 1 431 . 1 1 37 37 LEU N N 15 118.775 0.011 . 1 . . . . 112 LEU N . 25344 1 432 . 1 1 38 38 GLY H H 1 7.971 0.001 . 1 . . . . 113 GLY HN . 25344 1 433 . 1 1 38 38 GLY HA2 H 1 4.088 0.010 . 2 . . . . 113 GLY HA2 . 25344 1 434 . 1 1 38 38 GLY HA3 H 1 3.865 0.011 . 2 . . . . 113 GLY HA3 . 25344 1 435 . 1 1 38 38 GLY C C 13 174.634 0.003 . 1 . . . . 113 GLY CO . 25344 1 436 . 1 1 38 38 GLY CA C 13 45.946 0.027 . 1 . . . . 113 GLY CA . 25344 1 437 . 1 1 38 38 GLY N N 15 107.521 0.006 . 1 . . . . 113 GLY N . 25344 1 438 . 1 1 39 39 GLU H H 1 7.915 0.001 . 1 . . . . 114 GLU HN . 25344 1 439 . 1 1 39 39 GLU HA H 1 4.368 0.000 . 1 . . . . 114 GLU HA . 25344 1 440 . 1 1 39 39 GLU HB2 H 1 2.027 0.000 . 2 . . . . 114 GLU HB2 . 25344 1 441 . 1 1 39 39 GLU HB3 H 1 1.812 0.000 . 2 . . . . 114 GLU HB3 . 25344 1 442 . 1 1 39 39 GLU HG2 H 1 2.263 0.000 . 2 . . . . 114 GLU HG2 . 25344 1 443 . 1 1 39 39 GLU HG3 H 1 2.174 0.000 . 2 . . . . 114 GLU HG3 . 25344 1 444 . 1 1 39 39 GLU C C 13 176.045 0.003 . 1 . . . . 114 GLU CO . 25344 1 445 . 1 1 39 39 GLU CA C 13 55.843 0.026 . 1 . . . . 114 GLU CA . 25344 1 446 . 1 1 39 39 GLU CB C 13 30.427 0.037 . 1 . . . . 114 GLU CB . 25344 1 447 . 1 1 39 39 GLU CG C 13 35.533 0.000 . 1 . . . . 114 GLU CG . 25344 1 448 . 1 1 39 39 GLU N N 15 119.980 0.013 . 1 . . . . 114 GLU N . 25344 1 449 . 1 1 40 40 LYS H H 1 8.528 0.001 . 1 . . . . 115 LYS HN . 25344 1 450 . 1 1 40 40 LYS HA H 1 4.339 0.000 . 1 . . . . 115 LYS HA . 25344 1 451 . 1 1 40 40 LYS HB2 H 1 1.836 0.000 . 2 . . . . 115 LYS HB2 . 25344 1 452 . 1 1 40 40 LYS HB3 H 1 1.736 0.000 . 2 . . . . 115 LYS HB3 . 25344 1 453 . 1 1 40 40 LYS HG2 H 1 1.421 0.000 . 2 . . . . 115 LYS HG2 . 25344 1 454 . 1 1 40 40 LYS HG3 H 1 1.355 0.000 . 2 . . . . 115 LYS HG3 . 25344 1 455 . 1 1 40 40 LYS HD2 H 1 1.679 0.000 . 1 . . . . 115 LYS HD . 25344 1 456 . 1 1 40 40 LYS HD3 H 1 1.679 0.000 . 1 . . . . 115 LYS HD . 25344 1 457 . 1 1 40 40 LYS HE2 H 1 2.999 0.000 . 1 . . . . 115 LYS HE . 25344 1 458 . 1 1 40 40 LYS HE3 H 1 2.999 0.000 . 1 . . . . 115 LYS HE . 25344 1 459 . 1 1 40 40 LYS C C 13 175.726 0.003 . 1 . . . . 115 LYS CO . 25344 1 460 . 1 1 40 40 LYS CA C 13 56.118 0.070 . 1 . . . . 115 LYS CA . 25344 1 461 . 1 1 40 40 LYS CB C 13 32.127 0.023 . 1 . . . . 115 LYS CB . 25344 1 462 . 1 1 40 40 LYS CG C 13 24.625 0.000 . 1 . . . . 115 LYS CG . 25344 1 463 . 1 1 40 40 LYS CD C 13 29.210 0.000 . 1 . . . . 115 LYS CD . 25344 1 464 . 1 1 40 40 LYS CE C 13 42.257 0.000 . 1 . . . . 115 LYS CE . 25344 1 465 . 1 1 40 40 LYS N N 15 122.935 0.013 . 1 . . . . 115 LYS N . 25344 1 466 . 1 1 41 41 LEU H H 1 7.923 0.002 . 1 . . . . 116 LEU HN . 25344 1 467 . 1 1 41 41 LEU HA H 1 4.717 0.000 . 1 . . . . 116 LEU HA . 25344 1 468 . 1 1 41 41 LEU HB2 H 1 1.563 0.000 . 2 . . . . 116 LEU HB2 . 25344 1 469 . 1 1 41 41 LEU HB3 H 1 1.498 0.000 . 2 . . . . 116 LEU HB3 . 25344 1 470 . 1 1 41 41 LEU HG H 1 1.585 0.000 . 1 . . . . 116 LEU HG . 25344 1 471 . 1 1 41 41 LEU HD11 H 1 0.840 0.000 . 1 . . . . 116 LEU HD1 . 25344 1 472 . 1 1 41 41 LEU HD12 H 1 0.840 0.000 . 1 . . . . 116 LEU HD1 . 25344 1 473 . 1 1 41 41 LEU HD13 H 1 0.840 0.000 . 1 . . . . 116 LEU HD1 . 25344 1 474 . 1 1 41 41 LEU HD21 H 1 0.842 0.001 . 1 . . . . 116 LEU HD2 . 25344 1 475 . 1 1 41 41 LEU HD22 H 1 0.842 0.001 . 1 . . . . 116 LEU HD2 . 25344 1 476 . 1 1 41 41 LEU HD23 H 1 0.842 0.001 . 1 . . . . 116 LEU HD2 . 25344 1 477 . 1 1 41 41 LEU C C 13 177.838 0.000 . 1 . . . . 116 LEU CO . 25344 1 478 . 1 1 41 41 LEU CA C 13 54.184 0.013 . 1 . . . . 116 LEU CA . 25344 1 479 . 1 1 41 41 LEU CB C 13 44.763 0.031 . 1 . . . . 116 LEU CB . 25344 1 480 . 1 1 41 41 LEU CG C 13 27.501 0.000 . 1 . . . . 116 LEU CG . 25344 1 481 . 1 1 41 41 LEU CD1 C 13 26.593 0.012 . 1 . . . . 116 LEU CD1 . 25344 1 482 . 1 1 41 41 LEU CD2 C 13 23.905 0.016 . 1 . . . . 116 LEU CD2 . 25344 1 483 . 1 1 41 41 LEU N N 15 123.734 0.013 . 1 . . . . 116 LEU N . 25344 1 484 . 1 1 42 42 THR H H 1 9.031 0.001 . 1 . . . . 117 THR HN . 25344 1 485 . 1 1 42 42 THR HA H 1 4.455 0.000 . 1 . . . . 117 THR HA . 25344 1 486 . 1 1 42 42 THR HB H 1 4.728 0.000 . 1 . . . . 117 THR HB . 25344 1 487 . 1 1 42 42 THR HG21 H 1 1.353 0.001 . 1 . . . . 117 THR HG2 . 25344 1 488 . 1 1 42 42 THR HG22 H 1 1.353 0.001 . 1 . . . . 117 THR HG2 . 25344 1 489 . 1 1 42 42 THR HG23 H 1 1.353 0.001 . 1 . . . . 117 THR HG2 . 25344 1 490 . 1 1 42 42 THR C C 13 175.438 0.001 . 1 . . . . 117 THR CO . 25344 1 491 . 1 1 42 42 THR CA C 13 60.959 0.008 . 1 . . . . 117 THR CA . 25344 1 492 . 1 1 42 42 THR CB C 13 71.134 0.011 . 1 . . . . 117 THR CB . 25344 1 493 . 1 1 42 42 THR CG2 C 13 21.939 0.000 . 1 . . . . 117 THR CG2 . 25344 1 494 . 1 1 42 42 THR N N 15 114.170 0.004 . 1 . . . . 117 THR N . 25344 1 495 . 1 1 43 43 ASP H H 1 8.807 0.002 . 1 . . . . 118 ASP HN . 25344 1 496 . 1 1 43 43 ASP HA H 1 4.197 0.000 . 1 . . . . 118 ASP HA . 25344 1 497 . 1 1 43 43 ASP HB2 H 1 2.698 0.000 . 2 . . . . 118 ASP HB2 . 25344 1 498 . 1 1 43 43 ASP HB3 H 1 2.607 0.000 . 2 . . . . 118 ASP HB3 . 25344 1 499 . 1 1 43 43 ASP C C 13 178.378 0.005 . 1 . . . . 118 ASP CO . 25344 1 500 . 1 1 43 43 ASP CA C 13 57.962 0.057 . 1 . . . . 118 ASP CA . 25344 1 501 . 1 1 43 43 ASP CB C 13 39.884 0.053 . 1 . . . . 118 ASP CB . 25344 1 502 . 1 1 43 43 ASP N N 15 121.236 0.010 . 1 . . . . 118 ASP N . 25344 1 503 . 1 1 44 44 GLU H H 1 8.610 0.001 . 1 . . . . 119 GLU HN . 25344 1 504 . 1 1 44 44 GLU HA H 1 4.109 0.000 . 1 . . . . 119 GLU HA . 25344 1 505 . 1 1 44 44 GLU HB2 H 1 2.064 0.000 . 2 . . . . 119 GLU HB2 . 25344 1 506 . 1 1 44 44 GLU HB3 H 1 1.969 0.000 . 2 . . . . 119 GLU HB3 . 25344 1 507 . 1 1 44 44 GLU HG2 H 1 2.398 0.000 . 2 . . . . 119 GLU HG2 . 25344 1 508 . 1 1 44 44 GLU HG3 H 1 2.344 0.000 . 2 . . . . 119 GLU HG3 . 25344 1 509 . 1 1 44 44 GLU C C 13 179.221 0.003 . 1 . . . . 119 GLU CO . 25344 1 510 . 1 1 44 44 GLU CA C 13 59.901 0.029 . 1 . . . . 119 GLU CA . 25344 1 511 . 1 1 44 44 GLU CB C 13 29.212 0.052 . 1 . . . . 119 GLU CB . 25344 1 512 . 1 1 44 44 GLU CG C 13 36.649 0.000 . 1 . . . . 119 GLU CG . 25344 1 513 . 1 1 44 44 GLU N N 15 118.538 0.005 . 1 . . . . 119 GLU N . 25344 1 514 . 1 1 45 45 GLU H H 1 7.738 0.001 . 1 . . . . 120 GLU HN . 25344 1 515 . 1 1 45 45 GLU HA H 1 4.035 0.000 . 1 . . . . 120 GLU HA . 25344 1 516 . 1 1 45 45 GLU HB2 H 1 2.365 0.000 . 1 . . . . 120 GLU HB . 25344 1 517 . 1 1 45 45 GLU HB3 H 1 2.365 0.000 . 1 . . . . 120 GLU HB . 25344 1 518 . 1 1 45 45 GLU HG2 H 1 2.295 0.000 . 2 . . . . 120 GLU HG2 . 25344 1 519 . 1 1 45 45 GLU HG3 H 1 1.964 0.000 . 2 . . . . 120 GLU HG3 . 25344 1 520 . 1 1 45 45 GLU C C 13 179.734 0.004 . 1 . . . . 120 GLU CO . 25344 1 521 . 1 1 45 45 GLU CA C 13 59.270 0.032 . 1 . . . . 120 GLU CA . 25344 1 522 . 1 1 45 45 GLU CB C 13 30.408 0.060 . 1 . . . . 120 GLU CB . 25344 1 523 . 1 1 45 45 GLU CG C 13 37.685 0.000 . 1 . . . . 120 GLU CG . 25344 1 524 . 1 1 45 45 GLU N N 15 120.593 0.013 . 1 . . . . 120 GLU N . 25344 1 525 . 1 1 46 46 VAL H H 1 8.106 0.004 . 1 . . . . 121 VAL HN . 25344 1 526 . 1 1 46 46 VAL HA H 1 3.628 0.000 . 1 . . . . 121 VAL HA . 25344 1 527 . 1 1 46 46 VAL HB H 1 2.186 0.012 . 1 . . . . 121 VAL HB . 25344 1 528 . 1 1 46 46 VAL HG11 H 1 0.961 0.000 . 1 . . . . 121 VAL HG1 . 25344 1 529 . 1 1 46 46 VAL HG12 H 1 0.961 0.000 . 1 . . . . 121 VAL HG1 . 25344 1 530 . 1 1 46 46 VAL HG13 H 1 0.961 0.000 . 1 . . . . 121 VAL HG1 . 25344 1 531 . 1 1 46 46 VAL HG21 H 1 0.994 0.001 . 1 . . . . 121 VAL HG2 . 25344 1 532 . 1 1 46 46 VAL HG22 H 1 0.994 0.001 . 1 . . . . 121 VAL HG2 . 25344 1 533 . 1 1 46 46 VAL HG23 H 1 0.994 0.001 . 1 . . . . 121 VAL HG2 . 25344 1 534 . 1 1 46 46 VAL C C 13 177.445 0.007 . 1 . . . . 121 VAL CO . 25344 1 535 . 1 1 46 46 VAL CA C 13 67.110 0.023 . 1 . . . . 121 VAL CA . 25344 1 536 . 1 1 46 46 VAL CB C 13 31.570 0.049 . 1 . . . . 121 VAL CB . 25344 1 537 . 1 1 46 46 VAL CG1 C 13 22.273 0.000 . 1 . . . . 121 VAL CG1 . 25344 1 538 . 1 1 46 46 VAL CG2 C 13 24.118 0.007 . 1 . . . . 121 VAL CG2 . 25344 1 539 . 1 1 46 46 VAL N N 15 120.969 0.142 . 1 . . . . 121 VAL N . 25344 1 540 . 1 1 47 47 ASP H H 1 8.177 0.004 . 1 . . . . 122 ASP HN . 25344 1 541 . 1 1 47 47 ASP HA H 1 4.327 0.000 . 1 . . . . 122 ASP HA . 25344 1 542 . 1 1 47 47 ASP HB2 H 1 2.789 0.000 . 2 . . . . 122 ASP HB2 . 25344 1 543 . 1 1 47 47 ASP HB3 H 1 2.619 0.000 . 2 . . . . 122 ASP HB3 . 25344 1 544 . 1 1 47 47 ASP C C 13 179.226 0.005 . 1 . . . . 122 ASP CO . 25344 1 545 . 1 1 47 47 ASP CA C 13 57.852 0.022 . 1 . . . . 122 ASP CA . 25344 1 546 . 1 1 47 47 ASP CB C 13 40.507 0.032 . 1 . . . . 122 ASP CB . 25344 1 547 . 1 1 47 47 ASP N N 15 119.530 0.035 . 1 . . . . 122 ASP N . 25344 1 548 . 1 1 48 48 GLU H H 1 7.914 0.002 . 1 . . . . 123 GLU HN . 25344 1 549 . 1 1 48 48 GLU HA H 1 4.025 0.000 . 1 . . . . 123 GLU HA . 25344 1 550 . 1 1 48 48 GLU HB2 H 1 2.133 0.000 . 2 . . . . 123 GLU HB2 . 25344 1 551 . 1 1 48 48 GLU HB3 H 1 2.082 0.000 . 2 . . . . 123 GLU HB3 . 25344 1 552 . 1 1 48 48 GLU HG2 H 1 2.368 0.000 . 2 . . . . 123 GLU HG2 . 25344 1 553 . 1 1 48 48 GLU HG3 H 1 2.333 0.000 . 2 . . . . 123 GLU HG3 . 25344 1 554 . 1 1 48 48 GLU C C 13 178.205 0.003 . 1 . . . . 123 GLU CO . 25344 1 555 . 1 1 48 48 GLU CA C 13 59.234 0.021 . 1 . . . . 123 GLU CA . 25344 1 556 . 1 1 48 48 GLU CB C 13 29.336 0.028 . 1 . . . . 123 GLU CB . 25344 1 557 . 1 1 48 48 GLU CG C 13 35.593 0.000 . 1 . . . . 123 GLU CG . 25344 1 558 . 1 1 48 48 GLU N N 15 119.482 0.005 . 1 . . . . 123 GLU N . 25344 1 559 . 1 1 49 49 MET H H 1 7.882 0.002 . 1 . . . . 124 MET HN . 25344 1 560 . 1 1 49 49 MET HA H 1 4.059 0.000 . 1 . . . . 124 MET HA . 25344 1 561 . 1 1 49 49 MET HB2 H 1 2.315 0.000 . 2 . . . . 124 MET HB2 . 25344 1 562 . 1 1 49 49 MET HB3 H 1 2.149 0.000 . 2 . . . . 124 MET HB3 . 25344 1 563 . 1 1 49 49 MET HG2 H 1 2.792 0.000 . 2 . . . . 124 MET HG2 . 25344 1 564 . 1 1 49 49 MET HG3 H 1 2.564 0.000 . 2 . . . . 124 MET HG3 . 25344 1 565 . 1 1 49 49 MET HE1 H 1 1.998 0.000 . 1 . . . . 124 MET HE . 25344 1 566 . 1 1 49 49 MET HE2 H 1 1.998 0.000 . 1 . . . . 124 MET HE . 25344 1 567 . 1 1 49 49 MET HE3 H 1 1.998 0.000 . 1 . . . . 124 MET HE . 25344 1 568 . 1 1 49 49 MET C C 13 179.177 0.002 . 1 . . . . 124 MET CO . 25344 1 569 . 1 1 49 49 MET CA C 13 59.515 0.039 . 1 . . . . 124 MET CA . 25344 1 570 . 1 1 49 49 MET CB C 13 33.782 0.065 . 1 . . . . 124 MET CB . 25344 1 571 . 1 1 49 49 MET CG C 13 32.314 0.000 . 1 . . . . 124 MET CG . 25344 1 572 . 1 1 49 49 MET CE C 13 17.063 0.000 . 1 . . . . 124 MET CE . 25344 1 573 . 1 1 49 49 MET N N 15 119.172 0.006 . 1 . . . . 124 MET N . 25344 1 574 . 1 1 50 50 ILE H H 1 8.047 0.003 . 1 . . . . 125 ILE HN . 25344 1 575 . 1 1 50 50 ILE HA H 1 3.660 0.000 . 1 . . . . 125 ILE HA . 25344 1 576 . 1 1 50 50 ILE HB H 1 2.072 0.000 . 1 . . . . 125 ILE HB . 25344 1 577 . 1 1 50 50 ILE HG12 H 1 1.656 0.000 . 2 . . . . 125 ILE HG12 . 25344 1 578 . 1 1 50 50 ILE HG13 H 1 1.169 0.000 . 2 . . . . 125 ILE HG13 . 25344 1 579 . 1 1 50 50 ILE HG21 H 1 0.853 0.001 . 1 . . . . 125 ILE HG2 . 25344 1 580 . 1 1 50 50 ILE HG22 H 1 0.853 0.001 . 1 . . . . 125 ILE HG2 . 25344 1 581 . 1 1 50 50 ILE HG23 H 1 0.853 0.001 . 1 . . . . 125 ILE HG2 . 25344 1 582 . 1 1 50 50 ILE HD11 H 1 0.764 0.002 . 1 . . . . 125 ILE HD1 . 25344 1 583 . 1 1 50 50 ILE HD12 H 1 0.764 0.002 . 1 . . . . 125 ILE HD1 . 25344 1 584 . 1 1 50 50 ILE HD13 H 1 0.764 0.002 . 1 . . . . 125 ILE HD1 . 25344 1 585 . 1 1 50 50 ILE C C 13 177.182 0.003 . 1 . . . . 125 ILE CO . 25344 1 586 . 1 1 50 50 ILE CA C 13 64.559 0.022 . 1 . . . . 125 ILE CA . 25344 1 587 . 1 1 50 50 ILE CB C 13 37.150 0.052 . 1 . . . . 125 ILE CB . 25344 1 588 . 1 1 50 50 ILE CG1 C 13 29.022 0.000 . 1 . . . . 125 ILE CG1 . 25344 1 589 . 1 1 50 50 ILE CG2 C 13 16.919 0.025 . 1 . . . . 125 ILE CG2 . 25344 1 590 . 1 1 50 50 ILE CD1 C 13 12.545 0.042 . 1 . . . . 125 ILE CD1 . 25344 1 591 . 1 1 50 50 ILE N N 15 118.625 0.017 . 1 . . . . 125 ILE N . 25344 1 592 . 1 1 51 51 ARG H H 1 8.078 0.002 . 1 . . . . 126 ARG HN . 25344 1 593 . 1 1 51 51 ARG HA H 1 4.024 0.000 . 1 . . . . 126 ARG HA . 25344 1 594 . 1 1 51 51 ARG HB2 H 1 1.947 0.000 . 2 . . . . 126 ARG HB2 . 25344 1 595 . 1 1 51 51 ARG HB3 H 1 1.885 0.000 . 2 . . . . 126 ARG HB3 . 25344 1 596 . 1 1 51 51 ARG HG2 H 1 1.774 0.000 . 2 . . . . 126 ARG HG2 . 25344 1 597 . 1 1 51 51 ARG HG3 H 1 1.630 0.000 . 2 . . . . 126 ARG HG3 . 25344 1 598 . 1 1 51 51 ARG HD2 H 1 3.226 0.000 . 1 . . . . 126 ARG HD . 25344 1 599 . 1 1 51 51 ARG HD3 H 1 3.226 0.000 . 1 . . . . 126 ARG HD . 25344 1 600 . 1 1 51 51 ARG C C 13 179.161 0.000 . 1 . . . . 126 ARG CO . 25344 1 601 . 1 1 51 51 ARG CA C 13 59.624 0.016 . 1 . . . . 126 ARG CA . 25344 1 602 . 1 1 51 51 ARG CB C 13 30.056 0.263 . 1 . . . . 126 ARG CB . 25344 1 603 . 1 1 51 51 ARG CG C 13 27.788 0.000 . 1 . . . . 126 ARG CG . 25344 1 604 . 1 1 51 51 ARG CD C 13 43.412 0.000 . 1 . . . . 126 ARG CD . 25344 1 605 . 1 1 51 51 ARG N N 15 119.088 0.029 . 1 . . . . 126 ARG N . 25344 1 606 . 1 1 52 52 GLU H H 1 7.781 0.001 . 1 . . . . 127 GLU HN . 25344 1 607 . 1 1 52 52 GLU HA H 1 4.022 0.000 . 1 . . . . 127 GLU HA . 25344 1 608 . 1 1 52 52 GLU HB2 H 1 2.068 0.000 . 1 . . . . 127 GLU HB . 25344 1 609 . 1 1 52 52 GLU HB3 H 1 2.068 0.000 . 1 . . . . 127 GLU HB . 25344 1 610 . 1 1 52 52 GLU HG2 H 1 2.475 0.000 . 2 . . . . 127 GLU HG2 . 25344 1 611 . 1 1 52 52 GLU HG3 H 1 2.298 0.000 . 2 . . . . 127 GLU HG3 . 25344 1 612 . 1 1 52 52 GLU C C 13 177.438 0.005 . 1 . . . . 127 GLU CO . 25344 1 613 . 1 1 52 52 GLU CA C 13 58.366 0.012 . 1 . . . . 127 GLU CA . 25344 1 614 . 1 1 52 52 GLU CB C 13 29.588 0.079 . 1 . . . . 127 GLU CB . 25344 1 615 . 1 1 52 52 GLU CG C 13 35.979 0.000 . 1 . . . . 127 GLU CG . 25344 1 616 . 1 1 52 52 GLU N N 15 115.805 0.007 . 1 . . . . 127 GLU N . 25344 1 617 . 1 1 53 53 ALA H H 1 7.504 0.002 . 1 . . . . 128 ALA HN . 25344 1 618 . 1 1 53 53 ALA HA H 1 4.445 0.000 . 1 . . . . 128 ALA HA . 25344 1 619 . 1 1 53 53 ALA HB1 H 1 1.506 0.000 . 1 . . . . 128 ALA HB . 25344 1 620 . 1 1 53 53 ALA HB2 H 1 1.506 0.000 . 1 . . . . 128 ALA HB . 25344 1 621 . 1 1 53 53 ALA HB3 H 1 1.506 0.000 . 1 . . . . 128 ALA HB . 25344 1 622 . 1 1 53 53 ALA C C 13 178.059 0.000 . 1 . . . . 128 ALA CO . 25344 1 623 . 1 1 53 53 ALA CA C 13 52.845 0.002 . 1 . . . . 128 ALA CA . 25344 1 624 . 1 1 53 53 ALA CB C 13 20.722 0.072 . 1 . . . . 128 ALA CB . 25344 1 625 . 1 1 53 53 ALA N N 15 119.505 0.107 . 1 . . . . 128 ALA N . 25344 1 626 . 1 1 54 54 ASP H H 1 8.156 0.001 . 1 . . . . 129 ASP HN . 25344 1 627 . 1 1 54 54 ASP HA H 1 4.945 0.000 . 1 . . . . 129 ASP HA . 25344 1 628 . 1 1 54 54 ASP HB2 H 1 2.840 0.000 . 2 . . . . 129 ASP HB2 . 25344 1 629 . 1 1 54 54 ASP HB3 H 1 2.274 0.000 . 2 . . . . 129 ASP HB3 . 25344 1 630 . 1 1 54 54 ASP C C 13 177.461 0.000 . 1 . . . . 129 ASP CO . 25344 1 631 . 1 1 54 54 ASP CA C 13 53.137 0.027 . 1 . . . . 129 ASP CA . 25344 1 632 . 1 1 54 54 ASP CB C 13 40.484 0.042 . 1 . . . . 129 ASP CB . 25344 1 633 . 1 1 54 54 ASP N N 15 118.588 0.018 . 1 . . . . 129 ASP N . 25344 1 634 . 1 1 55 55 ILE H H 1 7.770 0.001 . 1 . . . . 130 ILE HN . 25344 1 635 . 1 1 55 55 ILE HA H 1 3.982 0.000 . 1 . . . . 130 ILE HA . 25344 1 636 . 1 1 55 55 ILE HB H 1 2.022 0.000 . 1 . . . . 130 ILE HB . 25344 1 637 . 1 1 55 55 ILE HG12 H 1 1.549 0.000 . 2 . . . . 130 ILE HG12 . 25344 1 638 . 1 1 55 55 ILE HG13 H 1 1.341 0.000 . 2 . . . . 130 ILE HG13 . 25344 1 639 . 1 1 55 55 ILE HG21 H 1 1.009 0.000 . 1 . . . . 130 ILE HG2 . 25344 1 640 . 1 1 55 55 ILE HG22 H 1 1.009 0.000 . 1 . . . . 130 ILE HG2 . 25344 1 641 . 1 1 55 55 ILE HG23 H 1 1.009 0.000 . 1 . . . . 130 ILE HG2 . 25344 1 642 . 1 1 55 55 ILE HD11 H 1 0.940 0.001 . 1 . . . . 130 ILE HD1 . 25344 1 643 . 1 1 55 55 ILE HD12 H 1 0.940 0.001 . 1 . . . . 130 ILE HD1 . 25344 1 644 . 1 1 55 55 ILE HD13 H 1 0.940 0.001 . 1 . . . . 130 ILE HD1 . 25344 1 645 . 1 1 55 55 ILE C C 13 176.809 0.001 . 1 . . . . 130 ILE CO . 25344 1 646 . 1 1 55 55 ILE CA C 13 63.567 0.033 . 1 . . . . 130 ILE CA . 25344 1 647 . 1 1 55 55 ILE CB C 13 38.083 0.058 . 1 . . . . 130 ILE CB . 25344 1 648 . 1 1 55 55 ILE CG1 C 13 27.865 0.000 . 1 . . . . 130 ILE CG1 . 25344 1 649 . 1 1 55 55 ILE CG2 C 13 17.797 0.006 . 1 . . . . 130 ILE CG2 . 25344 1 650 . 1 1 55 55 ILE CD1 C 13 12.965 0.040 . 1 . . . . 130 ILE CD1 . 25344 1 651 . 1 1 55 55 ILE N N 15 122.090 0.016 . 1 . . . . 130 ILE N . 25344 1 652 . 1 1 56 56 ASP H H 1 8.224 0.002 . 1 . . . . 131 ASP HN . 25344 1 653 . 1 1 56 56 ASP HA H 1 4.569 0.000 . 1 . . . . 131 ASP HA . 25344 1 654 . 1 1 56 56 ASP HB2 H 1 2.877 0.007 . 2 . . . . 131 ASP HB2 . 25344 1 655 . 1 1 56 56 ASP HB3 H 1 2.606 0.000 . 2 . . . . 131 ASP HB3 . 25344 1 656 . 1 1 56 56 ASP C C 13 177.502 0.000 . 1 . . . . 131 ASP CO . 25344 1 657 . 1 1 56 56 ASP CA C 13 53.736 0.005 . 1 . . . . 131 ASP CA . 25344 1 658 . 1 1 56 56 ASP CB C 13 40.501 0.040 . 1 . . . . 131 ASP CB . 25344 1 659 . 1 1 56 56 ASP N N 15 115.657 0.008 . 1 . . . . 131 ASP N . 25344 1 660 . 1 1 57 57 GLY H H 1 7.469 0.002 . 1 . . . . 132 GLY HN . 25344 1 661 . 1 1 57 57 GLY HA2 H 1 3.986 0.000 . 2 . . . . 132 GLY HA2 . 25344 1 662 . 1 1 57 57 GLY HA3 H 1 3.854 0.000 . 2 . . . . 132 GLY HA3 . 25344 1 663 . 1 1 57 57 GLY C C 13 174.879 0.003 . 1 . . . . 132 GLY CO . 25344 1 664 . 1 1 57 57 GLY CA C 13 47.278 0.015 . 1 . . . . 132 GLY CA . 25344 1 665 . 1 1 57 57 GLY N N 15 107.797 0.007 . 1 . . . . 132 GLY N . 25344 1 666 . 1 1 58 58 ASP H H 1 8.163 0.001 . 1 . . . . 133 ASP HN . 25344 1 667 . 1 1 58 58 ASP HA H 1 4.572 0.000 . 1 . . . . 133 ASP HA . 25344 1 668 . 1 1 58 58 ASP HB2 H 1 3.000 0.000 . 2 . . . . 133 ASP HB2 . 25344 1 669 . 1 1 58 58 ASP HB3 H 1 2.619 0.012 . 2 . . . . 133 ASP HB3 . 25344 1 670 . 1 1 58 58 ASP C C 13 177.487 0.000 . 1 . . . . 133 ASP CO . 25344 1 671 . 1 1 58 58 ASP CA C 13 53.790 0.038 . 1 . . . . 133 ASP CA . 25344 1 672 . 1 1 58 58 ASP CB C 13 40.419 0.051 . 1 . . . . 133 ASP CB . 25344 1 673 . 1 1 58 58 ASP N N 15 119.920 0.015 . 1 . . . . 133 ASP N . 25344 1 674 . 1 1 59 59 GLY H H 1 10.137 0.002 . 1 . . . . 134 GLY HN . 25344 1 675 . 1 1 59 59 GLY HA2 H 1 4.154 0.011 . 2 . . . . 134 GLY HA2 . 25344 1 676 . 1 1 59 59 GLY HA3 H 1 3.509 0.010 . 2 . . . . 134 GLY HA3 . 25344 1 677 . 1 1 59 59 GLY C C 13 173.635 0.006 . 1 . . . . 134 GLY CO . 25344 1 678 . 1 1 59 59 GLY CA C 13 45.846 0.022 . 1 . . . . 134 GLY CA . 25344 1 679 . 1 1 59 59 GLY N N 15 112.767 0.011 . 1 . . . . 134 GLY N . 25344 1 680 . 1 1 60 60 GLN H H 1 8.032 0.002 . 1 . . . . 135 GLN HN . 25344 1 681 . 1 1 60 60 GLN HA H 1 5.103 0.000 . 1 . . . . 135 GLN HA . 25344 1 682 . 1 1 60 60 GLN HB2 H 1 1.907 0.000 . 1 . . . . 135 GLN HB . 25344 1 683 . 1 1 60 60 GLN HB3 H 1 1.907 0.000 . 1 . . . . 135 GLN HB . 25344 1 684 . 1 1 60 60 GLN HG2 H 1 2.055 0.000 . 1 . . . . 135 GLN HG . 25344 1 685 . 1 1 60 60 GLN HG3 H 1 2.055 0.000 . 1 . . . . 135 GLN HG . 25344 1 686 . 1 1 60 60 GLN C C 13 175.928 0.006 . 1 . . . . 135 GLN CO . 25344 1 687 . 1 1 60 60 GLN CA C 13 53.759 0.016 . 1 . . . . 135 GLN CA . 25344 1 688 . 1 1 60 60 GLN CB C 13 31.175 0.042 . 1 . . . . 135 GLN CB . 25344 1 689 . 1 1 60 60 GLN CG C 13 33.058 0.000 . 1 . . . . 135 GLN CG . 25344 1 690 . 1 1 60 60 GLN N N 15 116.818 0.011 . 1 . . . . 135 GLN N . 25344 1 691 . 1 1 61 61 VAL H H 1 9.470 0.001 . 1 . . . . 136 VAL HN . 25344 1 692 . 1 1 61 61 VAL HA H 1 4.897 0.000 . 1 . . . . 136 VAL HA . 25344 1 693 . 1 1 61 61 VAL HB H 1 2.308 0.000 . 1 . . . . 136 VAL HB . 25344 1 694 . 1 1 61 61 VAL HG11 H 1 0.948 0.006 . 1 . . . . 136 VAL HG1 . 25344 1 695 . 1 1 61 61 VAL HG12 H 1 0.948 0.006 . 1 . . . . 136 VAL HG1 . 25344 1 696 . 1 1 61 61 VAL HG13 H 1 0.948 0.006 . 1 . . . . 136 VAL HG1 . 25344 1 697 . 1 1 61 61 VAL HG21 H 1 0.986 0.001 . 1 . . . . 136 VAL HG2 . 25344 1 698 . 1 1 61 61 VAL HG22 H 1 0.986 0.001 . 1 . . . . 136 VAL HG2 . 25344 1 699 . 1 1 61 61 VAL HG23 H 1 0.986 0.001 . 1 . . . . 136 VAL HG2 . 25344 1 700 . 1 1 61 61 VAL C C 13 174.594 0.002 . 1 . . . . 136 VAL CO . 25344 1 701 . 1 1 61 61 VAL CA C 13 60.239 0.048 . 1 . . . . 136 VAL CA . 25344 1 702 . 1 1 61 61 VAL CB C 13 34.769 0.070 . 1 . . . . 136 VAL CB . 25344 1 703 . 1 1 61 61 VAL CG1 C 13 22.288 0.031 . 1 . . . . 136 VAL CG1 . 25344 1 704 . 1 1 61 61 VAL CG2 C 13 19.632 0.006 . 1 . . . . 136 VAL CG2 . 25344 1 705 . 1 1 61 61 VAL N N 15 120.170 0.008 . 1 . . . . 136 VAL N . 25344 1 706 . 1 1 62 62 ASN H H 1 8.378 0.002 . 1 . . . . 137 ASN HN . 25344 1 707 . 1 1 62 62 ASN HA H 1 4.771 0.000 . 1 . . . . 137 ASN HA . 25344 1 708 . 1 1 62 62 ASN HB2 H 1 2.906 0.000 . 2 . . . . 137 ASN HB2 . 25344 1 709 . 1 1 62 62 ASN HB3 H 1 2.784 0.000 . 2 . . . . 137 ASN HB3 . 25344 1 710 . 1 1 62 62 ASN C C 13 175.094 0.000 . 1 . . . . 137 ASN CO . 25344 1 711 . 1 1 62 62 ASN CA C 13 51.683 0.027 . 1 . . . . 137 ASN CA . 25344 1 712 . 1 1 62 62 ASN CB C 13 38.773 0.021 . 1 . . . . 137 ASN CB . 25344 1 713 . 1 1 62 62 ASN N N 15 123.340 0.103 . 1 . . . . 137 ASN N . 25344 1 714 . 1 1 63 63 TYR H H 1 8.108 0.003 . 1 . . . . 138 TYR HN . 25344 1 715 . 1 1 63 63 TYR HA H 1 3.712 0.000 . 1 . . . . 138 TYR HA . 25344 1 716 . 1 1 63 63 TYR HB2 H 1 2.331 0.000 . 1 . . . . 138 TYR HB . 25344 1 717 . 1 1 63 63 TYR HB3 H 1 2.331 0.000 . 1 . . . . 138 TYR HB . 25344 1 718 . 1 1 63 63 TYR HD1 H 1 6.411 0.003 . 1 . . . . 138 TYR HD . 25344 1 719 . 1 1 63 63 TYR HD2 H 1 6.411 0.003 . 1 . . . . 138 TYR HD . 25344 1 720 . 1 1 63 63 TYR HE1 H 1 6.623 0.003 . 1 . . . . 138 TYR HE . 25344 1 721 . 1 1 63 63 TYR HE2 H 1 6.623 0.003 . 1 . . . . 138 TYR HE . 25344 1 722 . 1 1 63 63 TYR C C 13 176.200 0.002 . 1 . . . . 138 TYR CO . 25344 1 723 . 1 1 63 63 TYR CA C 13 61.438 0.011 . 1 . . . . 138 TYR CA . 25344 1 724 . 1 1 63 63 TYR CB C 13 37.676 0.037 . 1 . . . . 138 TYR CB . 25344 1 725 . 1 1 63 63 TYR CD1 C 13 132.931 0.024 . 1 . . . . 138 TYR CD . 25344 1 726 . 1 1 63 63 TYR CD2 C 13 132.931 0.024 . 1 . . . . 138 TYR CD . 25344 1 727 . 1 1 63 63 TYR CE1 C 13 117.878 0.046 . 1 . . . . 138 TYR CE . 25344 1 728 . 1 1 63 63 TYR CE2 C 13 117.878 0.046 . 1 . . . . 138 TYR CE . 25344 1 729 . 1 1 63 63 TYR N N 15 120.638 0.010 . 1 . . . . 138 TYR N . 25344 1 730 . 1 1 64 64 GLU H H 1 8.217 0.001 . 1 . . . . 139 GLU HN . 25344 1 731 . 1 1 64 64 GLU HA H 1 3.785 0.000 . 1 . . . . 139 GLU HA . 25344 1 732 . 1 1 64 64 GLU HB2 H 1 2.010 0.000 . 2 . . . . 139 GLU HB2 . 25344 1 733 . 1 1 64 64 GLU HB3 H 1 1.919 0.000 . 2 . . . . 139 GLU HB3 . 25344 1 734 . 1 1 64 64 GLU HG2 H 1 2.287 0.000 . 2 . . . . 139 GLU HG2 . 25344 1 735 . 1 1 64 64 GLU HG3 H 1 2.253 0.000 . 2 . . . . 139 GLU HG3 . 25344 1 736 . 1 1 64 64 GLU C C 13 179.713 0.001 . 1 . . . . 139 GLU CO . 25344 1 737 . 1 1 64 64 GLU CA C 13 60.091 0.021 . 1 . . . . 139 GLU CA . 25344 1 738 . 1 1 64 64 GLU CB C 13 28.721 0.061 . 1 . . . . 139 GLU CB . 25344 1 739 . 1 1 64 64 GLU CG C 13 36.367 0.000 . 1 . . . . 139 GLU CG . 25344 1 740 . 1 1 64 64 GLU N N 15 121.199 0.021 . 1 . . . . 139 GLU N . 25344 1 741 . 1 1 65 65 GLN H H 1 8.142 0.002 . 1 . . . . 140 GLN HN . 25344 1 742 . 1 1 65 65 GLN HA H 1 4.052 0.000 . 1 . . . . 140 GLN HA . 25344 1 743 . 1 1 65 65 GLN HB2 H 1 2.275 0.000 . 2 . . . . 140 GLN HB2 . 25344 1 744 . 1 1 65 65 GLN HB3 H 1 1.915 0.000 . 2 . . . . 140 GLN HB3 . 25344 1 745 . 1 1 65 65 GLN HG2 H 1 2.554 0.000 . 1 . . . . 140 GLN HG . 25344 1 746 . 1 1 65 65 GLN HG3 H 1 2.554 0.000 . 1 . . . . 140 GLN HG . 25344 1 747 . 1 1 65 65 GLN C C 13 178.358 0.011 . 1 . . . . 140 GLN CO . 25344 1 748 . 1 1 65 65 GLN CA C 13 58.383 0.028 . 1 . . . . 140 GLN CA . 25344 1 749 . 1 1 65 65 GLN CB C 13 28.333 0.055 . 1 . . . . 140 GLN CB . 25344 1 750 . 1 1 65 65 GLN CG C 13 34.128 0.000 . 1 . . . . 140 GLN CG . 25344 1 751 . 1 1 65 65 GLN N N 15 118.320 0.007 . 1 . . . . 140 GLN N . 25344 1 752 . 1 1 66 66 PHE H H 1 8.367 0.004 . 1 . . . . 141 PHE HN . 25344 1 753 . 1 1 66 66 PHE HA H 1 4.205 0.000 . 1 . . . . 141 PHE HA . 25344 1 754 . 1 1 66 66 PHE HB2 H 1 3.347 0.000 . 2 . . . . 141 PHE HB2 . 25344 1 755 . 1 1 66 66 PHE HB3 H 1 3.045 0.000 . 2 . . . . 141 PHE HB3 . 25344 1 756 . 1 1 66 66 PHE HD1 H 1 7.037 0.003 . 1 . . . . 141 PHE HD . 25344 1 757 . 1 1 66 66 PHE HD2 H 1 7.037 0.003 . 1 . . . . 141 PHE HD . 25344 1 758 . 1 1 66 66 PHE HE1 H 1 7.344 0.004 . 1 . . . . 141 PHE HE . 25344 1 759 . 1 1 66 66 PHE HE2 H 1 7.344 0.004 . 1 . . . . 141 PHE HE . 25344 1 760 . 1 1 66 66 PHE HZ H 1 7.104 0.000 . 1 . . . . 141 PHE HZ . 25344 1 761 . 1 1 66 66 PHE C C 13 176.824 0.002 . 1 . . . . 141 PHE CO . 25344 1 762 . 1 1 66 66 PHE CA C 13 61.537 0.035 . 1 . . . . 141 PHE CA . 25344 1 763 . 1 1 66 66 PHE CB C 13 39.697 0.060 . 1 . . . . 141 PHE CB . 25344 1 764 . 1 1 66 66 PHE CD1 C 13 131.889 0.056 . 1 . . . . 141 PHE CD . 25344 1 765 . 1 1 66 66 PHE CD2 C 13 131.889 0.056 . 1 . . . . 141 PHE CD . 25344 1 766 . 1 1 66 66 PHE CE1 C 13 131.639 0.089 . 1 . . . . 141 PHE CE . 25344 1 767 . 1 1 66 66 PHE CE2 C 13 131.639 0.089 . 1 . . . . 141 PHE CE . 25344 1 768 . 1 1 66 66 PHE CZ C 13 129.338 0.000 . 1 . . . . 141 PHE CZ . 25344 1 769 . 1 1 66 66 PHE N N 15 121.559 0.028 . 1 . . . . 141 PHE N . 25344 1 770 . 1 1 67 67 VAL H H 1 8.436 0.002 . 1 . . . . 142 VAL HN . 25344 1 771 . 1 1 67 67 VAL HA H 1 3.270 0.000 . 1 . . . . 142 VAL HA . 25344 1 772 . 1 1 67 67 VAL HB H 1 2.035 0.006 . 1 . . . . 142 VAL HB . 25344 1 773 . 1 1 67 67 VAL HG11 H 1 0.833 0.000 . 1 . . . . 142 VAL HG1 . 25344 1 774 . 1 1 67 67 VAL HG12 H 1 0.833 0.000 . 1 . . . . 142 VAL HG1 . 25344 1 775 . 1 1 67 67 VAL HG13 H 1 0.833 0.000 . 1 . . . . 142 VAL HG1 . 25344 1 776 . 1 1 67 67 VAL HG21 H 1 0.775 0.000 . 1 . . . . 142 VAL HG2 . 25344 1 777 . 1 1 67 67 VAL HG22 H 1 0.775 0.000 . 1 . . . . 142 VAL HG2 . 25344 1 778 . 1 1 67 67 VAL HG23 H 1 0.775 0.000 . 1 . . . . 142 VAL HG2 . 25344 1 779 . 1 1 67 67 VAL C C 13 179.124 0.012 . 1 . . . . 142 VAL CO . 25344 1 780 . 1 1 67 67 VAL CA C 13 67.132 0.012 . 1 . . . . 142 VAL CA . 25344 1 781 . 1 1 67 67 VAL CB C 13 31.542 0.059 . 1 . . . . 142 VAL CB . 25344 1 782 . 1 1 67 67 VAL CG1 C 13 21.472 0.030 . 1 . . . . 142 VAL CG1 . 25344 1 783 . 1 1 67 67 VAL CG2 C 13 23.213 0.006 . 1 . . . . 142 VAL CG2 . 25344 1 784 . 1 1 67 67 VAL N N 15 119.543 0.107 . 1 . . . . 142 VAL N . 25344 1 785 . 1 1 68 68 GLN H H 1 7.619 0.003 . 1 . . . . 143 GLN HN . 25344 1 786 . 1 1 68 68 GLN HA H 1 3.903 0.000 . 1 . . . . 143 GLN HA . 25344 1 787 . 1 1 68 68 GLN HB2 H 1 2.156 0.000 . 1 . . . . 143 GLN HB . 25344 1 788 . 1 1 68 68 GLN HB3 H 1 2.156 0.000 . 1 . . . . 143 GLN HB . 25344 1 789 . 1 1 68 68 GLN HG2 H 1 2.472 0.000 . 2 . . . . 143 GLN HG2 . 25344 1 790 . 1 1 68 68 GLN HG3 H 1 2.411 0.000 . 2 . . . . 143 GLN HG3 . 25344 1 791 . 1 1 68 68 GLN C C 13 178.305 0.011 . 1 . . . . 143 GLN CO . 25344 1 792 . 1 1 68 68 GLN CA C 13 58.876 0.011 . 1 . . . . 143 GLN CA . 25344 1 793 . 1 1 68 68 GLN CB C 13 28.120 0.021 . 1 . . . . 143 GLN CB . 25344 1 794 . 1 1 68 68 GLN CG C 13 33.755 0.000 . 1 . . . . 143 GLN CG . 25344 1 795 . 1 1 68 68 GLN N N 15 118.804 0.032 . 1 . . . . 143 GLN N . 25344 1 796 . 1 1 69 69 MET H H 1 7.911 0.001 . 1 . . . . 144 MET HN . 25344 1 797 . 1 1 69 69 MET HA H 1 4.070 0.000 . 1 . . . . 144 MET HA . 25344 1 798 . 1 1 69 69 MET HB2 H 1 2.094 0.000 . 1 . . . . 144 MET HB . 25344 1 799 . 1 1 69 69 MET HB3 H 1 2.094 0.000 . 1 . . . . 144 MET HB . 25344 1 800 . 1 1 69 69 MET HG2 H 1 2.606 0.000 . 2 . . . . 144 MET HG2 . 25344 1 801 . 1 1 69 69 MET HG3 H 1 2.442 0.000 . 2 . . . . 144 MET HG3 . 25344 1 802 . 1 1 69 69 MET HE1 H 1 1.970 0.000 . 1 . . . . 144 MET HE . 25344 1 803 . 1 1 69 69 MET HE2 H 1 1.970 0.000 . 1 . . . . 144 MET HE . 25344 1 804 . 1 1 69 69 MET HE3 H 1 1.970 0.000 . 1 . . . . 144 MET HE . 25344 1 805 . 1 1 69 69 MET C C 13 178.071 0.004 . 1 . . . . 144 MET CO . 25344 1 806 . 1 1 69 69 MET CA C 13 58.573 0.050 . 1 . . . . 144 MET CA . 25344 1 807 . 1 1 69 69 MET CB C 13 33.550 0.076 . 1 . . . . 144 MET CB . 25344 1 808 . 1 1 69 69 MET CG C 13 31.256 0.000 . 1 . . . . 144 MET CG . 25344 1 809 . 1 1 69 69 MET CE C 13 17.382 0.000 . 1 . . . . 144 MET CE . 25344 1 810 . 1 1 69 69 MET N N 15 118.580 0.015 . 1 . . . . 144 MET N . 25344 1 811 . 1 1 70 70 MET H H 1 7.829 0.002 . 1 . . . . 145 MET HN . 25344 1 812 . 1 1 70 70 MET HA H 1 4.293 0.000 . 1 . . . . 145 MET HA . 25344 1 813 . 1 1 70 70 MET HB2 H 1 1.935 0.000 . 2 . . . . 145 MET HB2 . 25344 1 814 . 1 1 70 70 MET HB3 H 1 1.827 0.000 . 2 . . . . 145 MET HB3 . 25344 1 815 . 1 1 70 70 MET HG2 H 1 1.992 0.000 . 1 . . . . 145 MET HG . 25344 1 816 . 1 1 70 70 MET HG3 H 1 1.992 0.000 . 1 . . . . 145 MET HG . 25344 1 817 . 1 1 70 70 MET HE1 H 1 1.890 0.000 . 1 . . . . 145 MET HE . 25344 1 818 . 1 1 70 70 MET HE2 H 1 1.890 0.000 . 1 . . . . 145 MET HE . 25344 1 819 . 1 1 70 70 MET HE3 H 1 1.890 0.000 . 1 . . . . 145 MET HE . 25344 1 820 . 1 1 70 70 MET C C 13 177.630 0.001 . 1 . . . . 145 MET CO . 25344 1 821 . 1 1 70 70 MET CA C 13 55.981 0.018 . 1 . . . . 145 MET CA . 25344 1 822 . 1 1 70 70 MET CB C 13 32.748 0.056 . 1 . . . . 145 MET CB . 25344 1 823 . 1 1 70 70 MET CG C 13 32.373 0.000 . 1 . . . . 145 MET CG . 25344 1 824 . 1 1 70 70 MET CE C 13 17.314 0.000 . 1 . . . . 145 MET CE . 25344 1 825 . 1 1 70 70 MET N N 15 115.265 0.012 . 1 . . . . 145 MET N . 25344 1 826 . 1 1 71 71 THR H H 1 7.649 0.002 . 1 . . . . 146 THR HN . 25344 1 827 . 1 1 71 71 THR HA H 1 4.303 0.000 . 1 . . . . 146 THR HA . 25344 1 828 . 1 1 71 71 THR HB H 1 4.303 0.000 . 1 . . . . 146 THR HB . 25344 1 829 . 1 1 71 71 THR HG21 H 1 1.203 0.000 . 1 . . . . 146 THR HG2 . 25344 1 830 . 1 1 71 71 THR HG22 H 1 1.203 0.000 . 1 . . . . 146 THR HG2 . 25344 1 831 . 1 1 71 71 THR HG23 H 1 1.203 0.000 . 1 . . . . 146 THR HG2 . 25344 1 832 . 1 1 71 71 THR C C 13 174.452 0.009 . 1 . . . . 146 THR CO . 25344 1 833 . 1 1 71 71 THR CA C 13 62.623 0.034 . 1 . . . . 146 THR CA . 25344 1 834 . 1 1 71 71 THR CB C 13 70.025 0.012 . 1 . . . . 146 THR CB . 25344 1 835 . 1 1 71 71 THR CG2 C 13 21.529 0.022 . 1 . . . . 146 THR CG2 . 25344 1 836 . 1 1 71 71 THR N N 15 110.778 0.010 . 1 . . . . 146 THR N . 25344 1 837 . 1 1 72 72 ALA H H 1 7.608 0.001 . 1 . . . . 147 ALA HN . 25344 1 838 . 1 1 72 72 ALA HA H 1 4.333 0.000 . 1 . . . . 147 ALA HA . 25344 1 839 . 1 1 72 72 ALA HB1 H 1 1.431 0.000 . 1 . . . . 147 ALA HB . 25344 1 840 . 1 1 72 72 ALA HB2 H 1 1.431 0.000 . 1 . . . . 147 ALA HB . 25344 1 841 . 1 1 72 72 ALA HB3 H 1 1.431 0.000 . 1 . . . . 147 ALA HB . 25344 1 842 . 1 1 72 72 ALA C C 13 176.767 0.006 . 1 . . . . 147 ALA CO . 25344 1 843 . 1 1 72 72 ALA CA C 13 52.975 0.059 . 1 . . . . 147 ALA CA . 25344 1 844 . 1 1 72 72 ALA CB C 13 19.196 0.055 . 1 . . . . 147 ALA CB . 25344 1 845 . 1 1 72 72 ALA N N 15 126.022 0.006 . 1 . . . . 147 ALA N . 25344 1 846 . 1 1 73 73 LYS H H 1 7.650 0.001 . 1 . . . . 148 LYS HN . 25344 1 847 . 1 1 73 73 LYS CA C 13 57.542 0.000 . 1 . . . . 148 LYS CA . 25344 1 848 . 1 1 73 73 LYS CB C 13 33.722 0.000 . 1 . . . . 148 LYS CB . 25344 1 849 . 1 1 73 73 LYS N N 15 125.249 0.004 . 1 . . . . 148 LYS N . 25344 1 stop_ save_