data_17283 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17283 _Entry.Title ; Sequence-specific 1H, 13C and 15N assignments of the phosphoesterase (PE) domain of Pseudomonas aeruginosa DNA ligase D (LigD) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-11-03 _Entry.Accession_date 2010-11-03 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kaushik Dutta . . . 17283 2 Aswin Natarajan . . . 17283 3 Ranajeet Ghose . . . 17283 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'New York Structural Biology Center' . 17283 2 . 'City College of New York' . 17283 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17283 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 580 17283 '15N chemical shifts' 150 17283 '1H chemical shifts' 840 17283 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-03-13 2010-11-03 update BMRB 'update entry citation' 17283 1 . . 2011-01-18 2010-11-03 original author 'original release' 17283 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LJ6 'BMRB Entry Tracking System' 17283 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17283 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21213076 _Citation.Full_citation . _Citation.Title 'Sequence-specific 1H, 13C and 15N assignments of the phosphoesterase (PE) domain of Pseudomonas aeruginosa DNA ligase D (LigD).' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 5 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 151 _Citation.Page_last 155 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Kaushik Dutta . . . 17283 1 2 Aswin Natarajan . . . 17283 1 3 Pravin Nair . A. . 17283 1 4 Stewart Shuman . . . 17283 1 5 Ranajeet Ghose . . . 17283 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DNA ligase' 17283 1 'DNA repair' 17283 1 NMR 17283 1 'non-homologous end-joining' 17283 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17283 _Assembly.ID 1 _Assembly.Name Pae177 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _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 Pae177 1 $Pae177 A . yes native no no . . . 17283 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 3N9B . . X-ray . . . 17283 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Pae177 _Entity.Sf_category entity _Entity.Sf_framecode Pae177 _Entity.Entry_ID 17283 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Pae177 _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 ; MPSSKPLAEYARKRDFRQTP EPSGRKPRKDSTGLLRYCVQ KHDASRLHYDFRLELDGTLK SWAVPKGPCLDPAVKRLAVQ VEDHPLDYADFEGSIPQGHY GAGDVIVWDRGAWTPLDDPR EGLEKGHLSFALDGEKLSGR WHLIRTNLRGKQSQWFLVKA KDGEARSLDRFDVLKER ; _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 177 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 PDB 2LJ6 . "Solution Structure And Dna-Binding Properties Of The Phosphoesterase Domain Of Dna Ligase D" . . . . . 100.00 177 100.00 100.00 2.72e-124 . . . . 17283 1 2 no PDB 3N9B . "Crystal Structure Of The P. Aeruginosa Ligd Phosphoesterase Domain" . . . . . 90.96 171 100.00 100.00 3.94e-112 . . . . 17283 1 3 no PDB 3N9D . "Monoclinic Structure Of P. Aeruginosa Ligd Phosphoesterase Domain" . . . . . 90.96 171 100.00 100.00 3.94e-112 . . . . 17283 1 4 no DBJ BAK89966 . "ATP-dependent DNA ligase [Pseudomonas aeruginosa NCGM2.S1]" . . . . . 99.44 840 98.30 98.30 6.69e-115 . . . . 17283 1 5 no DBJ BAP23425 . "ATP-dependent DNA ligase [Pseudomonas aeruginosa]" . . . . . 99.44 840 98.30 98.30 6.69e-115 . . . . 17283 1 6 no DBJ BAP51031 . "ATP-dependent DNA ligase [Pseudomonas aeruginosa]" . . . . . 99.44 840 98.30 98.30 6.69e-115 . . . . 17283 1 7 no DBJ BAQ40184 . "ATP-dependent DNA ligase [Pseudomonas aeruginosa]" . . . . . 100.00 840 99.44 99.44 4.96e-117 . . . . 17283 1 8 no DBJ BAR68071 . "multifunctional non-homologous end joining protein LigD [Pseudomonas aeruginosa]" . . . . . 100.00 840 99.44 99.44 5.29e-117 . . . . 17283 1 9 no EMBL CAW27916 . "probable ATP-dependent DNA ligase [Pseudomonas aeruginosa LESB58]" . . . . . 100.00 840 98.87 99.44 3.79e-116 . . . . 17283 1 10 no EMBL CDH77490 . "ATP-dependent DNA ligase [Pseudomonas aeruginosa MH27]" . . . . . 99.44 840 98.30 98.30 7.85e-115 . . . . 17283 1 11 no EMBL CDM46092 . "ATP-dependent DNA ligase [Pseudomonas aeruginosa WS136]" . . . . . 100.00 243 99.44 99.44 1.01e-122 . . . . 17283 1 12 no EMBL CDO81319 . "ATP-dependent DNA ligase [Pseudomonas aeruginosa]" . . . . . 100.00 554 99.44 99.44 2.02e-119 . . . . 17283 1 13 no EMBL CEI20600 . "ATP-dependent DNA ligase [Pseudomonas aeruginosa]" . . . . . 100.00 840 98.87 99.44 1.39e-116 . . . . 17283 1 14 no GB AAG05526 . "probable ATP-dependent DNA ligase [Pseudomonas aeruginosa PAO1]" . . . . . 100.00 840 100.00 100.00 8.38e-118 . . . . 17283 1 15 no GB ABJ11315 . "putative ATP-dependent DNA ligase [Pseudomonas aeruginosa UCBPP-PA14]" . . . . . 100.00 840 98.87 98.87 9.06e-116 . . . . 17283 1 16 no GB AEO75385 . "ATP-dependent DNA ligase [Pseudomonas aeruginosa M18]" . . . . . 100.00 840 99.44 99.44 5.40e-117 . . . . 17283 1 17 no GB AFM65275 . "ATP-dependent DNA ligase [Pseudomonas aeruginosa DK2]" . . . . . 100.00 840 99.44 99.44 4.60e-117 . . . . 17283 1 18 no GB AGI81805 . "ATP-dependent DNA ligase [Pseudomonas aeruginosa B136-33]" . . . . . 100.00 840 99.44 99.44 5.29e-117 . . . . 17283 1 19 no REF NP_250828 . "multifunctional non-homologous end joining protein LigD [Pseudomonas aeruginosa PAO1]" . . . . . 100.00 840 100.00 100.00 8.38e-118 . . . . 17283 1 20 no REF WP_003109866 . "ATP-dependent DNA ligase [Pseudomonas aeruginosa]" . . . . . 100.00 827 98.87 98.87 8.50e-116 . . . . 17283 1 21 no REF WP_003113639 . "multifunctional non-homologous end joining protein LigD [Pseudomonas aeruginosa]" . . . . . 100.00 840 100.00 100.00 8.38e-118 . . . . 17283 1 22 no REF WP_003124692 . "ATP-dependent DNA ligase [Pseudomonas aeruginosa]" . . . . . 100.00 840 99.44 99.44 5.01e-117 . . . . 17283 1 23 no REF WP_003158695 . "MULTISPECIES: ATP-dependent DNA ligase [Pseudomonas]" . . . . . 100.00 840 99.44 99.44 6.20e-117 . . . . 17283 1 24 no SP Q9I1X7 . "RecName: Full=Multifunctional non-homologous end joining protein LigD; AltName: Full=NHEJ DNA polymerase; Includes: RecName: Fu" . . . . . 100.00 840 100.00 100.00 8.38e-118 . . . . 17283 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Ribonuclease and Phosphatase' 17283 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 . MET . 17283 1 2 . PRO . 17283 1 3 . SER . 17283 1 4 . SER . 17283 1 5 . LYS . 17283 1 6 . PRO . 17283 1 7 . LEU . 17283 1 8 . ALA . 17283 1 9 . GLU . 17283 1 10 . TYR . 17283 1 11 . ALA . 17283 1 12 . ARG . 17283 1 13 . LYS . 17283 1 14 . ARG . 17283 1 15 . ASP . 17283 1 16 . PHE . 17283 1 17 . ARG . 17283 1 18 . GLN . 17283 1 19 . THR . 17283 1 20 . PRO . 17283 1 21 . GLU . 17283 1 22 . PRO . 17283 1 23 . SER . 17283 1 24 . GLY . 17283 1 25 . ARG . 17283 1 26 . LYS . 17283 1 27 . PRO . 17283 1 28 . ARG . 17283 1 29 . LYS . 17283 1 30 . ASP . 17283 1 31 . SER . 17283 1 32 . THR . 17283 1 33 . GLY . 17283 1 34 . LEU . 17283 1 35 . LEU . 17283 1 36 . ARG . 17283 1 37 . TYR . 17283 1 38 . CYS . 17283 1 39 . VAL . 17283 1 40 . GLN . 17283 1 41 . LYS . 17283 1 42 . HIS . 17283 1 43 . ASP . 17283 1 44 . ALA . 17283 1 45 . SER . 17283 1 46 . ARG . 17283 1 47 . LEU . 17283 1 48 . HIS . 17283 1 49 . TYR . 17283 1 50 . ASP . 17283 1 51 . PHE . 17283 1 52 . ARG . 17283 1 53 . LEU . 17283 1 54 . GLU . 17283 1 55 . LEU . 17283 1 56 . ASP . 17283 1 57 . GLY . 17283 1 58 . THR . 17283 1 59 . LEU . 17283 1 60 . LYS . 17283 1 61 . SER . 17283 1 62 . TRP . 17283 1 63 . ALA . 17283 1 64 . VAL . 17283 1 65 . PRO . 17283 1 66 . LYS . 17283 1 67 . GLY . 17283 1 68 . PRO . 17283 1 69 . CYS . 17283 1 70 . LEU . 17283 1 71 . ASP . 17283 1 72 . PRO . 17283 1 73 . ALA . 17283 1 74 . VAL . 17283 1 75 . LYS . 17283 1 76 . ARG . 17283 1 77 . LEU . 17283 1 78 . ALA . 17283 1 79 . VAL . 17283 1 80 . GLN . 17283 1 81 . VAL . 17283 1 82 . GLU . 17283 1 83 . ASP . 17283 1 84 . HIS . 17283 1 85 . PRO . 17283 1 86 . LEU . 17283 1 87 . ASP . 17283 1 88 . TYR . 17283 1 89 . ALA . 17283 1 90 . ASP . 17283 1 91 . PHE . 17283 1 92 . GLU . 17283 1 93 . GLY . 17283 1 94 . SER . 17283 1 95 . ILE . 17283 1 96 . PRO . 17283 1 97 . GLN . 17283 1 98 . GLY . 17283 1 99 . HIS . 17283 1 100 . TYR . 17283 1 101 . GLY . 17283 1 102 . ALA . 17283 1 103 . GLY . 17283 1 104 . ASP . 17283 1 105 . VAL . 17283 1 106 . ILE . 17283 1 107 . VAL . 17283 1 108 . TRP . 17283 1 109 . ASP . 17283 1 110 . ARG . 17283 1 111 . GLY . 17283 1 112 . ALA . 17283 1 113 . TRP . 17283 1 114 . THR . 17283 1 115 . PRO . 17283 1 116 . LEU . 17283 1 117 . ASP . 17283 1 118 . ASP . 17283 1 119 . PRO . 17283 1 120 . ARG . 17283 1 121 . GLU . 17283 1 122 . GLY . 17283 1 123 . LEU . 17283 1 124 . GLU . 17283 1 125 . LYS . 17283 1 126 . GLY . 17283 1 127 . HIS . 17283 1 128 . LEU . 17283 1 129 . SER . 17283 1 130 . PHE . 17283 1 131 . ALA . 17283 1 132 . LEU . 17283 1 133 . ASP . 17283 1 134 . GLY . 17283 1 135 . GLU . 17283 1 136 . LYS . 17283 1 137 . LEU . 17283 1 138 . SER . 17283 1 139 . GLY . 17283 1 140 . ARG . 17283 1 141 . TRP . 17283 1 142 . HIS . 17283 1 143 . LEU . 17283 1 144 . ILE . 17283 1 145 . ARG . 17283 1 146 . THR . 17283 1 147 . ASN . 17283 1 148 . LEU . 17283 1 149 . ARG . 17283 1 150 . GLY . 17283 1 151 . LYS . 17283 1 152 . GLN . 17283 1 153 . SER . 17283 1 154 . GLN . 17283 1 155 . TRP . 17283 1 156 . PHE . 17283 1 157 . LEU . 17283 1 158 . VAL . 17283 1 159 . LYS . 17283 1 160 . ALA . 17283 1 161 . LYS . 17283 1 162 . ASP . 17283 1 163 . GLY . 17283 1 164 . GLU . 17283 1 165 . ALA . 17283 1 166 . ARG . 17283 1 167 . SER . 17283 1 168 . LEU . 17283 1 169 . ASP . 17283 1 170 . ARG . 17283 1 171 . PHE . 17283 1 172 . ASP . 17283 1 173 . VAL . 17283 1 174 . LEU . 17283 1 175 . LYS . 17283 1 176 . GLU . 17283 1 177 . ARG . 17283 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 17283 1 . PRO 2 2 17283 1 . SER 3 3 17283 1 . SER 4 4 17283 1 . LYS 5 5 17283 1 . PRO 6 6 17283 1 . LEU 7 7 17283 1 . ALA 8 8 17283 1 . GLU 9 9 17283 1 . TYR 10 10 17283 1 . ALA 11 11 17283 1 . ARG 12 12 17283 1 . LYS 13 13 17283 1 . ARG 14 14 17283 1 . ASP 15 15 17283 1 . PHE 16 16 17283 1 . ARG 17 17 17283 1 . GLN 18 18 17283 1 . THR 19 19 17283 1 . PRO 20 20 17283 1 . GLU 21 21 17283 1 . PRO 22 22 17283 1 . SER 23 23 17283 1 . GLY 24 24 17283 1 . ARG 25 25 17283 1 . LYS 26 26 17283 1 . PRO 27 27 17283 1 . ARG 28 28 17283 1 . LYS 29 29 17283 1 . ASP 30 30 17283 1 . SER 31 31 17283 1 . THR 32 32 17283 1 . GLY 33 33 17283 1 . LEU 34 34 17283 1 . LEU 35 35 17283 1 . ARG 36 36 17283 1 . TYR 37 37 17283 1 . CYS 38 38 17283 1 . VAL 39 39 17283 1 . GLN 40 40 17283 1 . LYS 41 41 17283 1 . HIS 42 42 17283 1 . ASP 43 43 17283 1 . ALA 44 44 17283 1 . SER 45 45 17283 1 . ARG 46 46 17283 1 . LEU 47 47 17283 1 . HIS 48 48 17283 1 . TYR 49 49 17283 1 . ASP 50 50 17283 1 . PHE 51 51 17283 1 . ARG 52 52 17283 1 . LEU 53 53 17283 1 . GLU 54 54 17283 1 . LEU 55 55 17283 1 . ASP 56 56 17283 1 . GLY 57 57 17283 1 . THR 58 58 17283 1 . LEU 59 59 17283 1 . LYS 60 60 17283 1 . SER 61 61 17283 1 . TRP 62 62 17283 1 . ALA 63 63 17283 1 . VAL 64 64 17283 1 . PRO 65 65 17283 1 . LYS 66 66 17283 1 . GLY 67 67 17283 1 . PRO 68 68 17283 1 . CYS 69 69 17283 1 . LEU 70 70 17283 1 . ASP 71 71 17283 1 . PRO 72 72 17283 1 . ALA 73 73 17283 1 . VAL 74 74 17283 1 . LYS 75 75 17283 1 . ARG 76 76 17283 1 . LEU 77 77 17283 1 . ALA 78 78 17283 1 . VAL 79 79 17283 1 . GLN 80 80 17283 1 . VAL 81 81 17283 1 . GLU 82 82 17283 1 . ASP 83 83 17283 1 . HIS 84 84 17283 1 . PRO 85 85 17283 1 . LEU 86 86 17283 1 . ASP 87 87 17283 1 . TYR 88 88 17283 1 . ALA 89 89 17283 1 . ASP 90 90 17283 1 . PHE 91 91 17283 1 . GLU 92 92 17283 1 . GLY 93 93 17283 1 . SER 94 94 17283 1 . ILE 95 95 17283 1 . PRO 96 96 17283 1 . GLN 97 97 17283 1 . GLY 98 98 17283 1 . HIS 99 99 17283 1 . TYR 100 100 17283 1 . GLY 101 101 17283 1 . ALA 102 102 17283 1 . GLY 103 103 17283 1 . ASP 104 104 17283 1 . VAL 105 105 17283 1 . ILE 106 106 17283 1 . VAL 107 107 17283 1 . TRP 108 108 17283 1 . ASP 109 109 17283 1 . ARG 110 110 17283 1 . GLY 111 111 17283 1 . ALA 112 112 17283 1 . TRP 113 113 17283 1 . THR 114 114 17283 1 . PRO 115 115 17283 1 . LEU 116 116 17283 1 . ASP 117 117 17283 1 . ASP 118 118 17283 1 . PRO 119 119 17283 1 . ARG 120 120 17283 1 . GLU 121 121 17283 1 . GLY 122 122 17283 1 . LEU 123 123 17283 1 . GLU 124 124 17283 1 . LYS 125 125 17283 1 . GLY 126 126 17283 1 . HIS 127 127 17283 1 . LEU 128 128 17283 1 . SER 129 129 17283 1 . PHE 130 130 17283 1 . ALA 131 131 17283 1 . LEU 132 132 17283 1 . ASP 133 133 17283 1 . GLY 134 134 17283 1 . GLU 135 135 17283 1 . LYS 136 136 17283 1 . LEU 137 137 17283 1 . SER 138 138 17283 1 . GLY 139 139 17283 1 . ARG 140 140 17283 1 . TRP 141 141 17283 1 . HIS 142 142 17283 1 . LEU 143 143 17283 1 . ILE 144 144 17283 1 . ARG 145 145 17283 1 . THR 146 146 17283 1 . ASN 147 147 17283 1 . LEU 148 148 17283 1 . ARG 149 149 17283 1 . GLY 150 150 17283 1 . LYS 151 151 17283 1 . GLN 152 152 17283 1 . SER 153 153 17283 1 . GLN 154 154 17283 1 . TRP 155 155 17283 1 . PHE 156 156 17283 1 . LEU 157 157 17283 1 . VAL 158 158 17283 1 . LYS 159 159 17283 1 . ALA 160 160 17283 1 . LYS 161 161 17283 1 . ASP 162 162 17283 1 . GLY 163 163 17283 1 . GLU 164 164 17283 1 . ALA 165 165 17283 1 . ARG 166 166 17283 1 . SER 167 167 17283 1 . LEU 168 168 17283 1 . ASP 169 169 17283 1 . ARG 170 170 17283 1 . PHE 171 171 17283 1 . ASP 172 172 17283 1 . VAL 173 173 17283 1 . LEU 174 174 17283 1 . LYS 175 175 17283 1 . GLU 176 176 17283 1 . ARG 177 177 17283 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17283 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Pae177 . 287 organism . 'Pseudomonas aeruginosa' 'Pseudomonas aeruginosa' . . Bacteria . Pseudomonas aeruginosa . . . . . . . . . . . . . . . . . . . . . 17283 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 17283 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Pae177 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28b+ . . . . . . 17283 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NMR_Sample_1 _Sample.Sf_category sample _Sample.Sf_framecode NMR_Sample_1 _Sample.Entry_ID 17283 _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 Pae177 '[U-100% 15N]' . . 1 $Pae177 . . 300 . . uM . . . . 17283 1 2 D20 'natural abundance' . . . . . . 10 . . % . . . . 17283 1 3 H20 'natural abundance' . . . . . . 90 . . % . . . . 17283 1 4 Bis-Tris 'natural abundance' . . . . . . 50 . . mM . . . . 17283 1 5 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 17283 1 6 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17283 1 stop_ save_ save_NMR_Sample_2 _Sample.Sf_category sample _Sample.Sf_framecode NMR_Sample_2 _Sample.Entry_ID 17283 _Sample.ID 2 _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 Pae177 '[U-100% 13C; U-100% 15N]' . . 1 $Pae177 . . 300 . . uM . . . . 17283 2 2 D20 'natural abundance' . . . . . . 10 . . % . . . . 17283 2 3 H20 'natural abundance' . . . . . . 90 . . % . . . . 17283 2 4 Bis-Tris 'natural abundance' . . . . . . 50 . . mM . . . . 17283 2 5 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 17283 2 6 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17283 2 stop_ save_ save_NMR_Sample_3 _Sample.Sf_category sample _Sample.Sf_framecode NMR_Sample_3 _Sample.Entry_ID 17283 _Sample.ID 3 _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 Pae177 '[U-13C; U-15N; U-2H]' . . 1 $Pae177 . . 300 . . uM . . . . 17283 3 2 D20 'natural abundance' . . . . . . 10 . . % . . . . 17283 3 3 H20 'natural abundance' . . . . . . 90 . . % . . . . 17283 3 4 Bis-Tris 'natural abundance' . . . . . . 50 . . mM . . . . 17283 3 5 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 17283 3 6 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17283 3 stop_ save_ ####################### # Sample conditions # ####################### save_NMR _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode NMR _Sample_condition_list.Entry_ID 17283 _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' 200 . mM 17283 1 pH 6.5 . pH 17283 1 pressure 1 . atm 17283 1 temperature 298 . K 17283 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17283 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17283 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17283 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17283 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Equipped with CryoProbe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17283 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Equipped with CryoProbe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17283 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'Equipped with CryoProbe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 17283 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details 'Equipped with CryoProbe' _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 17283 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 'Equipped with CryoProbe' . . 17283 1 2 spectrometer_2 Bruker Avance . 800 'Equipped with CryoProbe' . . 17283 1 3 spectrometer_3 Bruker Avance . 700 'Equipped with CryoProbe' . . 17283 1 4 spectrometer_4 Varian INOVA . 600 'Equipped with CryoProbe' . . 17283 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 17283 _Experiment_list.ID 1 _Experiment_list.Details 'All Backbone experiments were TROSY based' 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 $NMR_Sample_1 isotropic . . 1 $NMR . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17283 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $NMR_Sample_2 isotropic . . 1 $NMR . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17283 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $NMR_Sample_3 isotropic . . 1 $NMR . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17283 1 4 '3D HN(COCA)CB' no . . . . . . . . . . 1 $NMR_Sample_1 isotropic . . 1 $NMR . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17283 1 5 '3D HNCACB' no . . . . . . . . . . 3 $NMR_Sample_3 isotropic . . 1 $NMR . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17283 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $NMR_Sample_1 isotropic . . 1 $NMR . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17283 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $NMR_Sample_1 isotropic . . 1 $NMR . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17283 1 8 '3D HNCO' no . . . . . . . . . . 3 $NMR_Sample_3 isotropic . . 1 $NMR . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17283 1 9 '3D HNCA' no . . . . . . . . . . 3 $NMR_Sample_3 isotropic . . 1 $NMR . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17283 1 10 '3D TROSY' no . . . . . . . . . . 3 $NMR_Sample_3 isotropic . . 1 $NMR . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17283 1 11 '3D HNCOCACB' no . . . . . . . . . . 3 $NMR_Sample_3 isotropic . . 1 $NMR . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17283 1 12 '3D HNCOCA' no . . . . . . . . . . 3 $NMR_Sample_3 isotropic . . 1 $NMR . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17283 1 13 '3D HNCACO' no . . . . . . . . . . 3 $NMR_Sample_3 isotropic . . 1 $NMR . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17283 1 14 '3D CC(CO)NH' no . . . . . . . . . . 2 $NMR_Sample_2 isotropic . . 1 $NMR . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17283 1 15 '3D HC(CO)NH' no . . . . . . . . . . 2 $NMR_Sample_2 isotropic . . 1 $NMR . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17283 1 16 '3D HBHACONH' no . . . . . . . . . . 2 $NMR_Sample_2 isotropic . . 1 $NMR . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17283 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 17283 _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 water protons . . . . ppm 4.75 na indirect 0.25144954 . . . . . . . . . 17283 1 H 1 water protons . . . . ppm 4.75 na direct 1 . . . . . . . . . 17283 1 N 15 water protons . . . . ppm 4.75 na indirect 0.10132900 . . . . . . . . . 17283 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 17283 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $NMR _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 1 '2D 1H-15N HSQC' . . . 17283 1 2 '3D HN(COCA)CB' . . . 17283 1 3 '3D HNCACB' . . . 17283 1 4 '3D C(CO)NH' . . . 17283 1 5 '3D H(CCO)NH' . . . 17283 1 6 '3D HNCO' . . . 17283 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO HA H 1 4.433 0.05 . 1 . . . . 2 P HA . 17283 1 2 . 1 1 2 2 PRO HB2 H 1 2.297 0.05 . 2 . . . . 2 P HB1 . 17283 1 3 . 1 1 2 2 PRO HB3 H 1 1.920 0.05 . 2 . . . . 2 P HB2 . 17283 1 4 . 1 1 2 2 PRO HG2 H 1 1.925 0.05 . 2 . . . . 2 P HG1 . 17283 1 5 . 1 1 2 2 PRO C C 13 176.930 0.11 . 1 . . . . 2 P C . 17283 1 6 . 1 1 2 2 PRO CA C 13 62.812 0.25 . 1 . . . . 2 P CA . 17283 1 7 . 1 1 2 2 PRO CB C 13 32.495 0.25 . 1 . . . . 2 P CB . 17283 1 8 . 1 1 2 2 PRO CD C 13 51.394 0.30 . 1 . . . . 2 P CD . 17283 1 9 . 1 1 2 2 PRO CG C 13 27.649 0.30 . 1 . . . . 2 P CG . 17283 1 10 . 1 1 3 3 SER H H 1 8.409 0.01 . 1 . . . . 3 S HN . 17283 1 11 . 1 1 3 3 SER HA H 1 4.434 0.05 . 1 . . . . 3 S HA . 17283 1 12 . 1 1 3 3 SER HB2 H 1 3.868 0.05 . 2 . . . . 3 S HB1 . 17283 1 13 . 1 1 3 3 SER C C 13 174.651 0.11 . 1 . . . . 3 S C . 17283 1 14 . 1 1 3 3 SER CA C 13 58.599 0.25 . 1 . . . . 3 S CA . 17283 1 15 . 1 1 3 3 SER CB C 13 63.340 0.25 . 1 . . . . 3 S CB . 17283 1 16 . 1 1 3 3 SER N N 15 115.966 0.14 . 1 . . . . 3 S N . 17283 1 17 . 1 1 4 4 SER H H 1 8.291 0.01 . 1 . . . . 4 S HN . 17283 1 18 . 1 1 4 4 SER HA H 1 4.458 0.05 . 1 . . . . 4 S HA . 17283 1 19 . 1 1 4 4 SER HB2 H 1 3.844 0.05 . 2 . . . . 4 S HB1 . 17283 1 20 . 1 1 4 4 SER C C 13 174.039 0.11 . 1 . . . . 4 S C . 17283 1 21 . 1 1 4 4 SER CA C 13 58.522 0.25 . 1 . . . . 4 S CA . 17283 1 22 . 1 1 4 4 SER CB C 13 63.434 0.25 . 1 . . . . 4 S CB . 17283 1 23 . 1 1 4 4 SER N N 15 117.933 0.14 . 1 . . . . 4 S N . 17283 1 24 . 1 1 5 5 LYS H H 1 8.225 0.01 . 1 . . . . 5 K HN . 17283 1 25 . 1 1 5 5 LYS HB2 H 1 1.779 0.05 . 2 . . . . 5 K HB1 . 17283 1 26 . 1 1 5 5 LYS HD2 H 1 1.678 0.05 . 2 . . . . 5 K HD1 . 17283 1 27 . 1 1 5 5 LYS HG2 H 1 1.410 0.05 . 2 . . . . 5 K HG1 . 17283 1 28 . 1 1 5 5 LYS C C 13 174.433 0.11 . 1 . . . . 5 K C . 17283 1 29 . 1 1 5 5 LYS CA C 13 54.183 0.25 . 1 . . . . 5 K CA . 17283 1 30 . 1 1 5 5 LYS CB C 13 31.489 0.25 . 1 . . . . 5 K CB . 17283 1 31 . 1 1 5 5 LYS N N 15 124.188 0.14 . 1 . . . . 5 K N . 17283 1 32 . 1 1 6 6 PRO HA H 1 4.392 0.05 . 1 . . . . 6 P HA . 17283 1 33 . 1 1 6 6 PRO HB2 H 1 2.266 0.05 . 2 . . . . 6 P HB1 . 17283 1 34 . 1 1 6 6 PRO HB3 H 1 1.855 0.05 . 2 . . . . 6 P HB2 . 17283 1 35 . 1 1 6 6 PRO HG2 H 1 2.271 0.05 . 2 . . . . 6 P HG1 . 17283 1 36 . 1 1 6 6 PRO HG3 H 1 2.003 0.05 . 2 . . . . 6 P HG2 . 17283 1 37 . 1 1 6 6 PRO C C 13 177.060 0.11 . 1 . . . . 6 P C . 17283 1 38 . 1 1 6 6 PRO CA C 13 63.627 0.25 . 1 . . . . 6 P CA . 17283 1 39 . 1 1 6 6 PRO CB C 13 32.595 0.25 . 1 . . . . 6 P CB . 17283 1 40 . 1 1 6 6 PRO CD C 13 51.261 0.30 . 1 . . . . 6 P CD . 17283 1 41 . 1 1 6 6 PRO CG C 13 27.575 0.30 . 1 . . . . 6 P CG . 17283 1 42 . 1 1 7 7 LEU H H 1 8.271 0.01 . 1 . . . . 7 L HN . 17283 1 43 . 1 1 7 7 LEU HA H 1 4.232 0.05 . 1 . . . . 7 L HA . 17283 1 44 . 1 1 7 7 LEU HB2 H 1 1.571 0.05 . 2 . . . . 7 L HB1 . 17283 1 45 . 1 1 7 7 LEU HD11 H 1 0.887 0.05 . 2 . . . . 7 L HD11 . 17283 1 46 . 1 1 7 7 LEU HD12 H 1 0.887 0.05 . 2 . . . . 7 L HD12 . 17283 1 47 . 1 1 7 7 LEU HD13 H 1 0.887 0.05 . 2 . . . . 7 L HD13 . 17283 1 48 . 1 1 7 7 LEU HD21 H 1 0.887 0.05 . 2 . . . . 7 L HD21 . 17283 1 49 . 1 1 7 7 LEU HD22 H 1 0.887 0.05 . 2 . . . . 7 L HD22 . 17283 1 50 . 1 1 7 7 LEU HD23 H 1 0.887 0.05 . 2 . . . . 7 L HD23 . 17283 1 51 . 1 1 7 7 LEU HG H 1 1.599 0.05 . 1 . . . . 7 L HG . 17283 1 52 . 1 1 7 7 LEU C C 13 177.601 0.11 . 1 . . . . 7 L C . 17283 1 53 . 1 1 7 7 LEU CA C 13 55.738 0.25 . 1 . . . . 7 L CA . 17283 1 54 . 1 1 7 7 LEU CB C 13 42.501 0.25 . 1 . . . . 7 L CB . 17283 1 55 . 1 1 7 7 LEU CD1 C 13 24.943 0.30 . 2 . . . . 7 L CD1 . 17283 1 56 . 1 1 7 7 LEU CD2 C 13 23.853 0.30 . 2 . . . . 7 L CD2 . 17283 1 57 . 1 1 7 7 LEU CG C 13 27.211 0.30 . 1 . . . . 7 L CG . 17283 1 58 . 1 1 7 7 LEU N N 15 122.437 0.14 . 1 . . . . 7 L N . 17283 1 59 . 1 1 8 8 ALA H H 1 8.227 0.01 . 1 . . . . 8 A HN . 17283 1 60 . 1 1 8 8 ALA HA H 1 4.201 0.05 . 1 . . . . 8 A HA . 17283 1 61 . 1 1 8 8 ALA HB1 H 1 1.305 0.05 . 1 . . . . 8 A HB1 . 17283 1 62 . 1 1 8 8 ALA HB2 H 1 1.305 0.05 . 1 . . . . 8 A HB2 . 17283 1 63 . 1 1 8 8 ALA HB3 H 1 1.305 0.05 . 1 . . . . 8 A HB3 . 17283 1 64 . 1 1 8 8 ALA C C 13 178.010 0.11 . 1 . . . . 8 A C . 17283 1 65 . 1 1 8 8 ALA CA C 13 53.651 0.25 . 1 . . . . 8 A CA . 17283 1 66 . 1 1 8 8 ALA CB C 13 19.307 0.25 . 1 . . . . 8 A CB . 17283 1 67 . 1 1 8 8 ALA N N 15 124.192 0.14 . 1 . . . . 8 A N . 17283 1 68 . 1 1 9 9 GLU H H 1 8.278 0.01 . 1 . . . . 9 E HN . 17283 1 69 . 1 1 9 9 GLU HA H 1 4.118 0.05 . 1 . . . . 9 E HA . 17283 1 70 . 1 1 9 9 GLU HB2 H 1 1.883 0.05 . 2 . . . . 9 E HB1 . 17283 1 71 . 1 1 9 9 GLU HG2 H 1 2.141 0.05 . 2 . . . . 9 E HG1 . 17283 1 72 . 1 1 9 9 GLU C C 13 176.658 0.11 . 1 . . . . 9 E C . 17283 1 73 . 1 1 9 9 GLU CA C 13 57.410 0.25 . 1 . . . . 9 E CA . 17283 1 74 . 1 1 9 9 GLU CB C 13 30.256 0.25 . 1 . . . . 9 E CB . 17283 1 75 . 1 1 9 9 GLU CG C 13 36.379 0.30 . 1 . . . . 9 E CG . 17283 1 76 . 1 1 9 9 GLU N N 15 119.338 0.14 . 1 . . . . 9 E N . 17283 1 77 . 1 1 10 10 TYR H H 1 7.938 0.01 . 1 . . . . 10 Y HN . 17283 1 78 . 1 1 10 10 TYR HA H 1 4.478 0.05 . 1 . . . . 10 Y HA . 17283 1 79 . 1 1 10 10 TYR HB2 H 1 3.051 0.05 . 2 . . . . 10 Y HB1 . 17283 1 80 . 1 1 10 10 TYR HB3 H 1 2.943 0.05 . 2 . . . . 10 Y HB2 . 17283 1 81 . 1 1 10 10 TYR HD1 H 1 7.085 0.05 . 3 . . . . 10 Y HD1 . 17283 1 82 . 1 1 10 10 TYR C C 13 175.765 0.11 . 1 . . . . 10 Y C . 17283 1 83 . 1 1 10 10 TYR CA C 13 58.384 0.25 . 1 . . . . 10 Y CA . 17283 1 84 . 1 1 10 10 TYR CB C 13 38.542 0.25 . 1 . . . . 10 Y CB . 17283 1 85 . 1 1 10 10 TYR N N 15 119.799 0.14 . 1 . . . . 10 Y N . 17283 1 86 . 1 1 11 11 ALA H H 1 7.942 0.01 . 1 . . . . 11 A HN . 17283 1 87 . 1 1 11 11 ALA HA H 1 4.228 0.05 . 1 . . . . 11 A HA . 17283 1 88 . 1 1 11 11 ALA HB1 H 1 1.333 0.05 . 1 . . . . 11 A HB1 . 17283 1 89 . 1 1 11 11 ALA HB2 H 1 1.333 0.05 . 1 . . . . 11 A HB2 . 17283 1 90 . 1 1 11 11 ALA HB3 H 1 1.333 0.05 . 1 . . . . 11 A HB3 . 17283 1 91 . 1 1 11 11 ALA C C 13 177.480 0.11 . 1 . . . . 11 A C . 17283 1 92 . 1 1 11 11 ALA CA C 13 53.407 0.25 . 1 . . . . 11 A CA . 17283 1 93 . 1 1 11 11 ALA CB C 13 19.326 0.25 . 1 . . . . 11 A CB . 17283 1 94 . 1 1 11 11 ALA N N 15 124.512 0.14 . 1 . . . . 11 A N . 17283 1 95 . 1 1 12 12 ARG H H 1 7.998 0.01 . 1 . . . . 12 R HN . 17283 1 96 . 1 1 12 12 ARG HA H 1 4.234 0.05 . 1 . . . . 12 R HA . 17283 1 97 . 1 1 12 12 ARG HB2 H 1 1.831 0.05 . 2 . . . . 12 R HB1 . 17283 1 98 . 1 1 12 12 ARG HB3 H 1 1.754 0.05 . 2 . . . . 12 R HB2 . 17283 1 99 . 1 1 12 12 ARG HD2 H 1 3.062 0.05 . 2 . . . . 12 R HD1 . 17283 1 100 . 1 1 12 12 ARG HG2 H 1 1.606 0.05 . 2 . . . . 12 R HG1 . 17283 1 101 . 1 1 12 12 ARG C C 13 176.639 0.11 . 1 . . . . 12 R C . 17283 1 102 . 1 1 12 12 ARG CA C 13 56.541 0.25 . 1 . . . . 12 R CA . 17283 1 103 . 1 1 12 12 ARG CB C 13 30.869 0.25 . 1 . . . . 12 R CB . 17283 1 104 . 1 1 12 12 ARG CD C 13 43.544 0.30 . 1 . . . . 12 R CD . 17283 1 105 . 1 1 12 12 ARG CG C 13 27.300 0.30 . 1 . . . . 12 R CG . 17283 1 106 . 1 1 12 12 ARG N N 15 119.719 0.14 . 1 . . . . 12 R N . 17283 1 107 . 1 1 13 13 LYS H H 1 8.205 0.01 . 1 . . . . 13 K HN . 17283 1 108 . 1 1 13 13 LYS HA H 1 4.233 0.05 . 1 . . . . 13 K HA . 17283 1 109 . 1 1 13 13 LYS HB2 H 1 1.771 0.05 . 2 . . . . 13 K HB1 . 17283 1 110 . 1 1 13 13 LYS HD2 H 1 1.814 0.05 . 2 . . . . 13 K HD1 . 17283 1 111 . 1 1 13 13 LYS HG2 H 1 1.414 0.05 . 2 . . . . 13 K HG1 . 17283 1 112 . 1 1 13 13 LYS C C 13 176.657 0.11 . 1 . . . . 13 K C . 17283 1 113 . 1 1 13 13 LYS CA C 13 56.868 0.25 . 1 . . . . 13 K CA . 17283 1 114 . 1 1 13 13 LYS CB C 13 32.595 0.25 . 1 . . . . 13 K CB . 17283 1 115 . 1 1 13 13 LYS CD C 13 27.575 0.30 . 1 . . . . 13 K CD . 17283 1 116 . 1 1 13 13 LYS CE C 13 42.356 0.30 . 1 . . . . 13 K CE . 17283 1 117 . 1 1 13 13 LYS CG C 13 24.905 0.30 . 1 . . . . 13 K CG . 17283 1 118 . 1 1 13 13 LYS N N 15 122.321 0.14 . 1 . . . . 13 K N . 17283 1 119 . 1 1 14 14 ARG H H 1 8.259 0.01 . 1 . . . . 14 R HN . 17283 1 120 . 1 1 14 14 ARG HA H 1 4.218 0.05 . 1 . . . . 14 R HA . 17283 1 121 . 1 1 14 14 ARG HB2 H 1 1.691 0.05 . 2 . . . . 14 R HB1 . 17283 1 122 . 1 1 14 14 ARG HD2 H 1 2.912 0.05 . 2 . . . . 14 R HD1 . 17283 1 123 . 1 1 14 14 ARG HG2 H 1 1.701 0.05 . 2 . . . . 14 R HG1 . 17283 1 124 . 1 1 14 14 ARG HG3 H 1 1.523 0.05 . 2 . . . . 14 R HG2 . 17283 1 125 . 1 1 14 14 ARG C C 13 175.709 0.11 . 1 . . . . 14 R C . 17283 1 126 . 1 1 14 14 ARG CA C 13 56.475 0.25 . 1 . . . . 14 R CA . 17283 1 127 . 1 1 14 14 ARG CB C 13 30.892 0.25 . 1 . . . . 14 R CB . 17283 1 128 . 1 1 14 14 ARG CD C 13 43.511 0.30 . 1 . . . . 14 R CD . 17283 1 129 . 1 1 14 14 ARG CG C 13 27.062 0.30 . 1 . . . . 14 R CG . 17283 1 130 . 1 1 14 14 ARG N N 15 122.044 0.14 . 1 . . . . 14 R N . 17283 1 131 . 1 1 15 15 ASP H H 1 8.216 0.01 . 1 . . . . 15 D HN . 17283 1 132 . 1 1 15 15 ASP HA H 1 4.551 0.05 . 1 . . . . 15 D HA . 17283 1 133 . 1 1 15 15 ASP HB2 H 1 2.637 0.05 . 2 . . . . 15 D HB1 . 17283 1 134 . 1 1 15 15 ASP HB3 H 1 2.536 0.05 . 2 . . . . 15 D HB2 . 17283 1 135 . 1 1 15 15 ASP C C 13 175.967 0.11 . 1 . . . . 15 D C . 17283 1 136 . 1 1 15 15 ASP CA C 13 54.209 0.25 . 1 . . . . 15 D CA . 17283 1 137 . 1 1 15 15 ASP CB C 13 41.436 0.25 . 1 . . . . 15 D CB . 17283 1 138 . 1 1 15 15 ASP N N 15 121.138 0.14 . 1 . . . . 15 D N . 17283 1 139 . 1 1 16 16 PHE H H 1 8.120 0.01 . 1 . . . . 16 F HN . 17283 1 140 . 1 1 16 16 PHE HA H 1 4.547 0.05 . 1 . . . . 16 F HA . 17283 1 141 . 1 1 16 16 PHE HB2 H 1 3.131 0.05 . 2 . . . . 16 F HB1 . 17283 1 142 . 1 1 16 16 PHE HB3 H 1 3.029 0.05 . 2 . . . . 16 F HB2 . 17283 1 143 . 1 1 16 16 PHE HD1 H 1 7.221 0.05 . 3 . . . . 16 F HD1 . 17283 1 144 . 1 1 16 16 PHE C C 13 175.629 0.11 . 1 . . . . 16 F C . 17283 1 145 . 1 1 16 16 PHE CA C 13 58.239 0.25 . 1 . . . . 16 F CA . 17283 1 146 . 1 1 16 16 PHE CB C 13 39.432 0.25 . 1 . . . . 16 F CB . 17283 1 147 . 1 1 16 16 PHE N N 15 121.184 0.14 . 1 . . . . 16 F N . 17283 1 148 . 1 1 17 17 ARG H H 1 8.126 0.01 . 1 . . . . 17 R HN . 17283 1 149 . 1 1 17 17 ARG HA H 1 4.213 0.05 . 1 . . . . 17 R HA . 17283 1 150 . 1 1 17 17 ARG HB2 H 1 1.721 0.05 . 2 . . . . 17 R HB1 . 17283 1 151 . 1 1 17 17 ARG HD2 H 1 3.002 0.05 . 2 . . . . 17 R HD1 . 17283 1 152 . 1 1 17 17 ARG HG2 H 1 1.506 0.05 . 2 . . . . 17 R HG1 . 17283 1 153 . 1 1 17 17 ARG C C 13 175.971 0.11 . 1 . . . . 17 R C . 17283 1 154 . 1 1 17 17 ARG CA C 13 56.384 0.25 . 1 . . . . 17 R CA . 17283 1 155 . 1 1 17 17 ARG CB C 13 30.660 0.25 . 1 . . . . 17 R CB . 17283 1 156 . 1 1 17 17 ARG CD C 13 43.475 0.30 . 1 . . . . 17 R CD . 17283 1 157 . 1 1 17 17 ARG CG C 13 27.155 0.30 . 1 . . . . 17 R CG . 17283 1 158 . 1 1 17 17 ARG N N 15 122.397 0.14 . 1 . . . . 17 R N . 17283 1 159 . 1 1 18 18 GLN H H 1 8.269 0.01 . 1 . . . . 18 Q HN . 17283 1 160 . 1 1 18 18 GLN HA H 1 4.311 0.05 . 1 . . . . 18 Q HA . 17283 1 161 . 1 1 18 18 GLN HB2 H 1 2.081 0.05 . 2 . . . . 18 Q HB1 . 17283 1 162 . 1 1 18 18 GLN HB3 H 1 1.956 0.05 . 2 . . . . 18 Q HB2 . 17283 1 163 . 1 1 18 18 GLN HG2 H 1 2.329 0.05 . 2 . . . . 18 Q HG1 . 17283 1 164 . 1 1 18 18 GLN C C 13 175.817 0.11 . 1 . . . . 18 Q C . 17283 1 165 . 1 1 18 18 GLN CA C 13 56.054 0.25 . 1 . . . . 18 Q CA . 17283 1 166 . 1 1 18 18 GLN CB C 13 29.655 0.25 . 1 . . . . 18 Q CB . 17283 1 167 . 1 1 18 18 GLN CG C 13 34.010 0.30 . 1 . . . . 18 Q CG . 17283 1 168 . 1 1 18 18 GLN N N 15 121.240 0.14 . 1 . . . . 18 Q N . 17283 1 169 . 1 1 19 19 THR H H 1 8.183 0.01 . 1 . . . . 19 T HN . 17283 1 170 . 1 1 19 19 THR HA H 1 4.131 0.05 . 1 . . . . 19 T HA . 17283 1 171 . 1 1 19 19 THR HG21 H 1 1.212 0.05 . 1 . . . . 19 T HG21 . 17283 1 172 . 1 1 19 19 THR HG22 H 1 1.212 0.05 . 1 . . . . 19 T HG22 . 17283 1 173 . 1 1 19 19 THR HG23 H 1 1.212 0.05 . 1 . . . . 19 T HG23 . 17283 1 174 . 1 1 19 19 THR C C 13 172.658 0.11 . 1 . . . . 19 T C . 17283 1 175 . 1 1 19 19 THR CA C 13 59.480 0.25 . 1 . . . . 19 T CA . 17283 1 176 . 1 1 19 19 THR CB C 13 69.156 0.25 . 1 . . . . 19 T CB . 17283 1 177 . 1 1 19 19 THR N N 15 118.156 0.14 . 1 . . . . 19 T N . 17283 1 178 . 1 1 20 20 PRO HA H 1 4.410 0.05 . 1 . . . . 20 P HA . 17283 1 179 . 1 1 20 20 PRO HB2 H 1 2.248 0.05 . 2 . . . . 20 P HB1 . 17283 1 180 . 1 1 20 20 PRO HB3 H 1 1.852 0.05 . 2 . . . . 20 P HB2 . 17283 1 181 . 1 1 20 20 PRO HD2 H 1 3.797 0.05 . 2 . . . . 20 P HD1 . 17283 1 182 . 1 1 20 20 PRO HD3 H 1 3.673 0.05 . 2 . . . . 20 P HD2 . 17283 1 183 . 1 1 20 20 PRO HG2 H 1 2.255 0.05 . 2 . . . . 20 P HG1 . 17283 1 184 . 1 1 20 20 PRO HG3 H 1 1.997 0.05 . 2 . . . . 20 P HG2 . 17283 1 185 . 1 1 20 20 PRO C C 13 176.706 0.11 . 1 . . . . 20 P C . 17283 1 186 . 1 1 20 20 PRO CA C 13 63.471 0.25 . 1 . . . . 20 P CA . 17283 1 187 . 1 1 20 20 PRO CB C 13 32.299 0.25 . 1 . . . . 20 P CB . 17283 1 188 . 1 1 20 20 PRO CD C 13 51.679 0.30 . 1 . . . . 20 P CD . 17283 1 189 . 1 1 20 20 PRO CG C 13 27.369 0.30 . 1 . . . . 20 P CG . 17283 1 190 . 1 1 21 21 GLU H H 1 8.452 0.01 . 1 . . . . 21 E HN . 17283 1 191 . 1 1 21 21 GLU HA H 1 4.512 0.05 . 1 . . . . 21 E HA . 17283 1 192 . 1 1 21 21 GLU HB2 H 1 1.860 0.05 . 2 . . . . 21 E HB1 . 17283 1 193 . 1 1 21 21 GLU HG2 H 1 2.267 0.05 . 2 . . . . 21 E HG1 . 17283 1 194 . 1 1 21 21 GLU HG3 H 1 1.991 0.05 . 2 . . . . 21 E HG2 . 17283 1 195 . 1 1 21 21 GLU CA C 13 54.020 0.25 . 1 . . . . 21 E CA . 17283 1 196 . 1 1 21 21 GLU CB C 13 28.810 0.25 . 1 . . . . 21 E CB . 17283 1 197 . 1 1 21 21 GLU N N 15 122.764 0.14 . 1 . . . . 21 E N . 17283 1 198 . 1 1 22 22 PRO HA H 1 4.441 0.05 . 1 . . . . 22 P HA . 17283 1 199 . 1 1 22 22 PRO HB2 H 1 2.297 0.05 . 2 . . . . 22 P HB1 . 17283 1 200 . 1 1 22 22 PRO HB3 H 1 1.920 0.05 . 2 . . . . 22 P HB2 . 17283 1 201 . 1 1 22 22 PRO HG2 H 1 2.303 0.05 . 2 . . . . 22 P HG1 . 17283 1 202 . 1 1 22 22 PRO HG3 H 1 2.050 0.05 . 2 . . . . 22 P HG2 . 17283 1 203 . 1 1 22 22 PRO C C 13 177.232 0.11 . 1 . . . . 22 P C . 17283 1 204 . 1 1 22 22 PRO CA C 13 63.967 0.25 . 1 . . . . 22 P CA . 17283 1 205 . 1 1 22 22 PRO CB C 13 32.495 0.25 . 1 . . . . 22 P CB . 17283 1 206 . 1 1 22 22 PRO CD C 13 51.394 0.30 . 1 . . . . 22 P CD . 17283 1 207 . 1 1 22 22 PRO CG C 13 27.649 0.30 . 1 . . . . 22 P CG . 17283 1 208 . 1 1 23 23 SER H H 1 8.412 0.01 . 1 . . . . 23 S HN . 17283 1 209 . 1 1 23 23 SER HA H 1 4.394 0.05 . 1 . . . . 23 S HA . 17283 1 210 . 1 1 23 23 SER HB2 H 1 3.889 0.05 . 2 . . . . 23 S HB1 . 17283 1 211 . 1 1 23 23 SER C C 13 175.299 0.11 . 1 . . . . 23 S C . 17283 1 212 . 1 1 23 23 SER CA C 13 59.052 0.25 . 1 . . . . 23 S CA . 17283 1 213 . 1 1 23 23 SER CB C 13 63.212 0.25 . 1 . . . . 23 S CB . 17283 1 214 . 1 1 23 23 SER N N 15 115.967 0.14 . 1 . . . . 23 S N . 17283 1 215 . 1 1 24 24 GLY H H 1 8.365 0.01 . 1 . . . . 24 G HN . 17283 1 216 . 1 1 24 24 GLY HA2 H 1 3.959 0.05 . 2 . . . . 24 G HA1 . 17283 1 217 . 1 1 24 24 GLY C C 13 173.979 0.11 . 1 . . . . 24 G C . 17283 1 218 . 1 1 24 24 GLY CA C 13 45.506 0.25 . 1 . . . . 24 G CA . 17283 1 219 . 1 1 24 24 GLY N N 15 110.630 0.14 . 1 . . . . 24 G N . 17283 1 220 . 1 1 25 25 ARG H H 1 8.073 0.01 . 1 . . . . 25 R HN . 17283 1 221 . 1 1 25 25 ARG HA H 1 4.315 0.05 . 1 . . . . 25 R HA . 17283 1 222 . 1 1 25 25 ARG HB2 H 1 1.798 0.05 . 2 . . . . 25 R HB1 . 17283 1 223 . 1 1 25 25 ARG HB3 H 1 1.699 0.05 . 2 . . . . 25 R HB2 . 17283 1 224 . 1 1 25 25 ARG HD2 H 1 3.164 0.05 . 2 . . . . 25 R HD1 . 17283 1 225 . 1 1 25 25 ARG HG2 H 1 1.585 0.05 . 2 . . . . 25 R HG1 . 17283 1 226 . 1 1 25 25 ARG C C 13 176.184 0.11 . 1 . . . . 25 R C . 17283 1 227 . 1 1 25 25 ARG CA C 13 56.240 0.25 . 1 . . . . 25 R CA . 17283 1 228 . 1 1 25 25 ARG CB C 13 30.997 0.25 . 1 . . . . 25 R CB . 17283 1 229 . 1 1 25 25 ARG CD C 13 43.544 0.30 . 1 . . . . 25 R CD . 17283 1 230 . 1 1 25 25 ARG CG C 13 27.243 0.30 . 1 . . . . 25 R CG . 17283 1 231 . 1 1 25 25 ARG N N 15 120.435 0.14 . 1 . . . . 25 R N . 17283 1 232 . 1 1 26 26 LYS H H 1 8.355 0.01 . 1 . . . . 26 K HN . 17283 1 233 . 1 1 26 26 LYS HA H 1 4.556 0.05 . 1 . . . . 26 K HA . 17283 1 234 . 1 1 26 26 LYS HB2 H 1 1.696 0.05 . 2 . . . . 26 K HB1 . 17283 1 235 . 1 1 26 26 LYS HD2 H 1 1.793 0.05 . 2 . . . . 26 K HD1 . 17283 1 236 . 1 1 26 26 LYS HG2 H 1 1.458 0.05 . 2 . . . . 26 K HG1 . 17283 1 237 . 1 1 26 26 LYS C C 13 174.518 0.11 . 1 . . . . 26 K C . 17283 1 238 . 1 1 26 26 LYS CA C 13 53.839 0.25 . 1 . . . . 26 K CA . 17283 1 239 . 1 1 26 26 LYS CB C 13 31.381 0.25 . 1 . . . . 26 K CB . 17283 1 240 . 1 1 26 26 LYS N N 15 124.221 0.14 . 1 . . . . 26 K N . 17283 1 241 . 1 1 27 27 PRO HA H 1 4.393 0.05 . 1 . . . . 27 P HA . 17283 1 242 . 1 1 27 27 PRO HB2 H 1 2.261 0.05 . 2 . . . . 27 P HB1 . 17283 1 243 . 1 1 27 27 PRO HB3 H 1 1.843 0.05 . 2 . . . . 27 P HB2 . 17283 1 244 . 1 1 27 27 PRO HD2 H 1 3.795 0.05 . 2 . . . . 27 P HD1 . 17283 1 245 . 1 1 27 27 PRO HD3 H 1 3.610 0.05 . 2 . . . . 27 P HD2 . 17283 1 246 . 1 1 27 27 PRO HG2 H 1 2.271 0.05 . 2 . . . . 27 P HG1 . 17283 1 247 . 1 1 27 27 PRO HG3 H 1 1.990 0.05 . 2 . . . . 27 P HG2 . 17283 1 248 . 1 1 27 27 PRO C C 13 176.716 0.11 . 1 . . . . 27 P C . 17283 1 249 . 1 1 27 27 PRO CA C 13 63.449 0.25 . 1 . . . . 27 P CA . 17283 1 250 . 1 1 27 27 PRO CB C 13 32.360 0.25 . 1 . . . . 27 P CB . 17283 1 251 . 1 1 27 27 PRO CD C 13 51.299 0.30 . 1 . . . . 27 P CD . 17283 1 252 . 1 1 27 27 PRO CG C 13 27.490 0.30 . 1 . . . . 27 P CG . 17283 1 253 . 1 1 28 28 ARG H H 1 8.414 0.01 . 1 . . . . 28 R HN . 17283 1 254 . 1 1 28 28 ARG HA H 1 4.290 0.05 . 1 . . . . 28 R HA . 17283 1 255 . 1 1 28 28 ARG HB2 H 1 1.821 0.05 . 2 . . . . 28 R HB1 . 17283 1 256 . 1 1 28 28 ARG HB3 H 1 1.755 0.05 . 2 . . . . 28 R HB2 . 17283 1 257 . 1 1 28 28 ARG HD2 H 1 3.186 0.05 . 2 . . . . 28 R HD1 . 17283 1 258 . 1 1 28 28 ARG HG2 H 1 1.632 0.05 . 2 . . . . 28 R HG1 . 17283 1 259 . 1 1 28 28 ARG C C 13 176.645 0.11 . 1 . . . . 28 R C . 17283 1 260 . 1 1 28 28 ARG CA C 13 56.347 0.25 . 1 . . . . 28 R CA . 17283 1 261 . 1 1 28 28 ARG CB C 13 31.392 0.25 . 1 . . . . 28 R CB . 17283 1 262 . 1 1 28 28 ARG CD C 13 43.528 0.30 . 1 . . . . 28 R CD . 17283 1 263 . 1 1 28 28 ARG CG C 13 27.369 0.30 . 1 . . . . 28 R CG . 17283 1 264 . 1 1 28 28 ARG N N 15 121.860 0.14 . 1 . . . . 28 R N . 17283 1 265 . 1 1 29 29 LYS H H 1 8.443 0.01 . 1 . . . . 29 K HN . 17283 1 266 . 1 1 29 29 LYS HA H 1 4.278 0.05 . 1 . . . . 29 K HA . 17283 1 267 . 1 1 29 29 LYS HB2 H 1 1.756 0.05 . 2 . . . . 29 K HB1 . 17283 1 268 . 1 1 29 29 LYS HD2 H 1 1.767 0.05 . 2 . . . . 29 K HD1 . 17283 1 269 . 1 1 29 29 LYS HG2 H 1 1.394 0.05 . 2 . . . . 29 K HG1 . 17283 1 270 . 1 1 29 29 LYS C C 13 176.192 0.11 . 1 . . . . 29 K C . 17283 1 271 . 1 1 29 29 LYS CA C 13 56.750 0.25 . 1 . . . . 29 K CA . 17283 1 272 . 1 1 29 29 LYS CB C 13 33.179 0.25 . 1 . . . . 29 K CB . 17283 1 273 . 1 1 29 29 LYS CD C 13 29.139 0.30 . 1 . . . . 29 K CD . 17283 1 274 . 1 1 29 29 LYS CE C 13 42.265 0.30 . 1 . . . . 29 K CE . 17283 1 275 . 1 1 29 29 LYS CG C 13 24.696 0.30 . 1 . . . . 29 K CG . 17283 1 276 . 1 1 29 29 LYS N N 15 123.155 0.14 . 1 . . . . 29 K N . 17283 1 277 . 1 1 30 30 ASP H H 1 8.356 0.01 . 1 . . . . 30 D HN . 17283 1 278 . 1 1 30 30 ASP HA H 1 4.608 0.05 . 1 . . . . 30 D HA . 17283 1 279 . 1 1 30 30 ASP HB2 H 1 2.671 0.05 . 2 . . . . 30 D HB1 . 17283 1 280 . 1 1 30 30 ASP C C 13 176.315 0.11 . 1 . . . . 30 D C . 17283 1 281 . 1 1 30 30 ASP CA C 13 54.517 0.25 . 1 . . . . 30 D CA . 17283 1 282 . 1 1 30 30 ASP CB C 13 41.489 0.25 . 1 . . . . 30 D CB . 17283 1 283 . 1 1 30 30 ASP N N 15 121.395 0.14 . 1 . . . . 30 D N . 17283 1 284 . 1 1 31 31 SER H H 1 8.285 0.01 . 1 . . . . 31 S HN . 17283 1 285 . 1 1 31 31 SER HA H 1 3.876 0.05 . 1 . . . . 31 S HA . 17283 1 286 . 1 1 31 31 SER HB2 H 1 4.492 0.05 . 2 . . . . 31 S HB1 . 17283 1 287 . 1 1 31 31 SER C C 13 174.869 0.11 . 1 . . . . 31 S C . 17283 1 288 . 1 1 31 31 SER CA C 13 58.645 0.25 . 1 . . . . 31 S CA . 17283 1 289 . 1 1 31 31 SER CB C 13 63.085 0.25 . 1 . . . . 31 S CB . 17283 1 290 . 1 1 31 31 SER N N 15 116.349 0.14 . 1 . . . . 31 S N . 17283 1 291 . 1 1 32 32 THR H H 1 8.231 0.01 . 1 . . . . 32 T HN . 17283 1 292 . 1 1 32 32 THR HA H 1 4.218 0.05 . 1 . . . . 32 T HA . 17283 1 293 . 1 1 32 32 THR HB H 1 3.892 0.05 . 1 . . . . 32 T HB . 17283 1 294 . 1 1 32 32 THR HG21 H 1 1.198 0.05 . 1 . . . . 32 T HG21 . 17283 1 295 . 1 1 32 32 THR HG22 H 1 1.198 0.05 . 1 . . . . 32 T HG22 . 17283 1 296 . 1 1 32 32 THR HG23 H 1 1.198 0.05 . 1 . . . . 32 T HG23 . 17283 1 297 . 1 1 32 32 THR C C 13 175.264 0.11 . 1 . . . . 32 T C . 17283 1 298 . 1 1 32 32 THR CA C 13 63.065 0.25 . 1 . . . . 32 T CA . 17283 1 299 . 1 1 32 32 THR CB C 13 70.553 0.25 . 1 . . . . 32 T CB . 17283 1 300 . 1 1 32 32 THR CG2 C 13 21.644 0.30 . 1 . . . . 32 T CG2 . 17283 1 301 . 1 1 32 32 THR N N 15 115.872 0.14 . 1 . . . . 32 T N . 17283 1 302 . 1 1 33 33 GLY H H 1 8.417 0.01 . 1 . . . . 33 G HN . 17283 1 303 . 1 1 33 33 GLY HA2 H 1 3.895 0.05 . 2 . . . . 33 G HA1 . 17283 1 304 . 1 1 33 33 GLY C C 13 173.362 0.11 . 1 . . . . 33 G C . 17283 1 305 . 1 1 33 33 GLY CA C 13 45.459 0.25 . 1 . . . . 33 G CA . 17283 1 306 . 1 1 33 33 GLY N N 15 111.490 0.14 . 1 . . . . 33 G N . 17283 1 307 . 1 1 34 34 LEU H H 1 7.826 0.01 . 1 . . . . 34 L HN . 17283 1 308 . 1 1 34 34 LEU HA H 1 4.336 0.05 . 1 . . . . 34 L HA . 17283 1 309 . 1 1 34 34 LEU HB2 H 1 1.535 0.05 . 2 . . . . 34 L HB1 . 17283 1 310 . 1 1 34 34 LEU HD11 H 1 0.815 0.05 . 2 . . . . 34 L HD11 . 17283 1 311 . 1 1 34 34 LEU HD12 H 1 0.815 0.05 . 2 . . . . 34 L HD12 . 17283 1 312 . 1 1 34 34 LEU HD13 H 1 0.815 0.05 . 2 . . . . 34 L HD13 . 17283 1 313 . 1 1 34 34 LEU HD21 H 1 0.815 0.05 . 2 . . . . 34 L HD21 . 17283 1 314 . 1 1 34 34 LEU HD22 H 1 0.815 0.05 . 2 . . . . 34 L HD22 . 17283 1 315 . 1 1 34 34 LEU HD23 H 1 0.815 0.05 . 2 . . . . 34 L HD23 . 17283 1 316 . 1 1 34 34 LEU HG H 1 1.528 0.05 . 1 . . . . 34 L HG . 17283 1 317 . 1 1 34 34 LEU C C 13 176.627 0.11 . 1 . . . . 34 L C . 17283 1 318 . 1 1 34 34 LEU CA C 13 55.234 0.25 . 1 . . . . 34 L CA . 17283 1 319 . 1 1 34 34 LEU CB C 13 43.162 0.25 . 1 . . . . 34 L CB . 17283 1 320 . 1 1 34 34 LEU CD1 C 13 25.143 0.30 . 2 . . . . 34 L CD1 . 17283 1 321 . 1 1 34 34 LEU CD2 C 13 23.945 0.30 . 2 . . . . 34 L CD2 . 17283 1 322 . 1 1 34 34 LEU CG C 13 27.144 0.30 . 1 . . . . 34 L CG . 17283 1 323 . 1 1 34 34 LEU N N 15 121.452 0.14 . 1 . . . . 34 L N . 17283 1 324 . 1 1 35 35 LEU H H 1 8.492 0.01 . 1 . . . . 35 L HN . 17283 1 325 . 1 1 35 35 LEU HA H 1 4.462 0.05 . 1 . . . . 35 L HA . 17283 1 326 . 1 1 35 35 LEU HB2 H 1 1.451 0.05 . 2 . . . . 35 L HB1 . 17283 1 327 . 1 1 35 35 LEU HD11 H 1 0.513 0.05 . 2 . . . . 35 L HD11 . 17283 1 328 . 1 1 35 35 LEU HD12 H 1 0.513 0.05 . 2 . . . . 35 L HD12 . 17283 1 329 . 1 1 35 35 LEU HD13 H 1 0.513 0.05 . 2 . . . . 35 L HD13 . 17283 1 330 . 1 1 35 35 LEU HD21 H 1 0.814 0.05 . 2 . . . . 35 L HD21 . 17283 1 331 . 1 1 35 35 LEU HD22 H 1 0.814 0.05 . 2 . . . . 35 L HD22 . 17283 1 332 . 1 1 35 35 LEU HD23 H 1 0.814 0.05 . 2 . . . . 35 L HD23 . 17283 1 333 . 1 1 35 35 LEU C C 13 176.687 0.11 . 1 . . . . 35 L C . 17283 1 334 . 1 1 35 35 LEU CA C 13 54.182 0.25 . 1 . . . . 35 L CA . 17283 1 335 . 1 1 35 35 LEU CB C 13 43.249 0.25 . 1 . . . . 35 L CB . 17283 1 336 . 1 1 35 35 LEU CD1 C 13 24.662 0.30 . 2 . . . . 35 L CD1 . 17283 1 337 . 1 1 35 35 LEU N N 15 124.925 0.14 . 1 . . . . 35 L N . 17283 1 338 . 1 1 36 36 ARG H H 1 9.166 0.01 . 1 . . . . 36 R HN . 17283 1 339 . 1 1 36 36 ARG HA H 1 4.991 0.05 . 1 . . . . 36 R HA . 17283 1 340 . 1 1 36 36 ARG HB2 H 1 1.520 0.05 . 2 . . . . 36 R HB1 . 17283 1 341 . 1 1 36 36 ARG HB3 H 1 1.650 0.05 . 2 . . . . 36 R HB2 . 17283 1 342 . 1 1 36 36 ARG HG2 H 1 1.520 0.05 . 2 . . . . 36 R HG1 . 17283 1 343 . 1 1 36 36 ARG C C 13 175.424 0.11 . 1 . . . . 36 R C . 17283 1 344 . 1 1 36 36 ARG CA C 13 55.916 0.25 . 1 . . . . 36 R CA . 17283 1 345 . 1 1 36 36 ARG CB C 13 31.047 0.25 . 1 . . . . 36 R CB . 17283 1 346 . 1 1 36 36 ARG CD C 13 42.975 0.30 . 1 . . . . 36 R CD . 17283 1 347 . 1 1 36 36 ARG N N 15 122.925 0.14 . 1 . . . . 36 R N . 17283 1 348 . 1 1 37 37 TYR H H 1 8.399 0.01 . 1 . . . . 37 Y HN . 17283 1 349 . 1 1 37 37 TYR HA H 1 5.430 0.05 . 1 . . . . 37 Y HA . 17283 1 350 . 1 1 37 37 TYR HB2 H 1 3.057 0.05 . 2 . . . . 37 Y HB1 . 17283 1 351 . 1 1 37 37 TYR HB3 H 1 2.227 0.05 . 2 . . . . 37 Y HB2 . 17283 1 352 . 1 1 37 37 TYR HD1 H 1 6.300 0.05 . 3 . . . . 37 Y HD1 . 17283 1 353 . 1 1 37 37 TYR C C 13 174.159 0.11 . 1 . . . . 37 Y C . 17283 1 354 . 1 1 37 37 TYR CA C 13 55.822 0.25 . 1 . . . . 37 Y CA . 17283 1 355 . 1 1 37 37 TYR CB C 13 44.069 0.25 . 1 . . . . 37 Y CB . 17283 1 356 . 1 1 37 37 TYR N N 15 118.827 0.14 . 1 . . . . 37 Y N . 17283 1 357 . 1 1 38 38 CYS H H 1 8.763 0.01 . 1 . . . . 38 C HN . 17283 1 358 . 1 1 38 38 CYS HA H 1 4.603 0.05 . 1 . . . . 38 C HA . 17283 1 359 . 1 1 38 38 CYS HB2 H 1 2.826 0.05 . 2 . . . . 38 C HB1 . 17283 1 360 . 1 1 38 38 CYS HB3 H 1 2.940 0.05 . 2 . . . . 38 C HB2 . 17283 1 361 . 1 1 38 38 CYS C C 13 171.457 0.11 . 1 . . . . 38 C C . 17283 1 362 . 1 1 38 38 CYS CA C 13 56.450 0.25 . 1 . . . . 38 C CA . 17283 1 363 . 1 1 38 38 CYS CB C 13 31.219 0.25 . 1 . . . . 38 C CB . 17283 1 364 . 1 1 38 38 CYS N N 15 116.493 0.14 . 1 . . . . 38 C N . 17283 1 365 . 1 1 39 39 VAL H H 1 8.809 0.01 . 1 . . . . 39 V HN . 17283 1 366 . 1 1 39 39 VAL HA H 1 5.534 0.05 . 1 . . . . 39 V HA . 17283 1 367 . 1 1 39 39 VAL HB H 1 2.168 0.05 . 1 . . . . 39 V HB . 17283 1 368 . 1 1 39 39 VAL HG11 H 1 1.196 0.05 . 2 . . . . 39 V HG11 . 17283 1 369 . 1 1 39 39 VAL HG12 H 1 1.196 0.05 . 2 . . . . 39 V HG12 . 17283 1 370 . 1 1 39 39 VAL HG13 H 1 1.196 0.05 . 2 . . . . 39 V HG13 . 17283 1 371 . 1 1 39 39 VAL C C 13 176.518 0.11 . 1 . . . . 39 V C . 17283 1 372 . 1 1 39 39 VAL CA C 13 60.631 0.25 . 1 . . . . 39 V CA . 17283 1 373 . 1 1 39 39 VAL CB C 13 35.049 0.25 . 1 . . . . 39 V CB . 17283 1 374 . 1 1 39 39 VAL CG1 C 13 22.639 0.30 . 2 . . . . 39 V CG1 . 17283 1 375 . 1 1 39 39 VAL N N 15 120.907 0.14 . 1 . . . . 39 V N . 17283 1 376 . 1 1 40 40 GLN H H 1 9.395 0.01 . 1 . . . . 40 Q HN . 17283 1 377 . 1 1 40 40 GLN HA H 1 5.376 0.05 . 1 . . . . 40 Q HA . 17283 1 378 . 1 1 40 40 GLN HB2 H 1 2.198 0.05 . 2 . . . . 40 Q HB1 . 17283 1 379 . 1 1 40 40 GLN HG2 H 1 2.198 0.05 . 2 . . . . 40 Q HG1 . 17283 1 380 . 1 1 40 40 GLN C C 13 174.426 0.11 . 1 . . . . 40 Q C . 17283 1 381 . 1 1 40 40 GLN CA C 13 54.427 0.25 . 1 . . . . 40 Q CA . 17283 1 382 . 1 1 40 40 GLN CB C 13 31.064 0.25 . 1 . . . . 40 Q CB . 17283 1 383 . 1 1 40 40 GLN CG C 13 35.063 0.30 . 1 . . . . 40 Q CG . 17283 1 384 . 1 1 40 40 GLN N N 15 126.143 0.14 . 1 . . . . 40 Q N . 17283 1 385 . 1 1 41 41 LYS H H 1 9.131 0.01 . 1 . . . . 41 K HN . 17283 1 386 . 1 1 41 41 LYS HA H 1 5.520 0.05 . 1 . . . . 41 K HA . 17283 1 387 . 1 1 41 41 LYS HB2 H 1 1.750 0.05 . 2 . . . . 41 K HB1 . 17283 1 388 . 1 1 41 41 LYS C C 13 174.326 0.11 . 1 . . . . 41 K C . 17283 1 389 . 1 1 41 41 LYS CA C 13 54.503 0.25 . 1 . . . . 41 K CA . 17283 1 390 . 1 1 41 41 LYS CB C 13 35.121 0.25 . 1 . . . . 41 K CB . 17283 1 391 . 1 1 41 41 LYS N N 15 123.012 0.14 . 1 . . . . 41 K N . 17283 1 392 . 1 1 42 42 HIS C C 13 174.086 0.11 . 1 . . . . 42 H C . 17283 1 393 . 1 1 42 42 HIS CA C 13 54.770 0.25 . 1 . . . . 42 H CA . 17283 1 394 . 1 1 42 42 HIS CB C 13 29.550 0.25 . 1 . . . . 42 H CB . 17283 1 395 . 1 1 43 43 ASP H H 1 8.493 0.01 . 1 . . . . 43 D HN . 17283 1 396 . 1 1 43 43 ASP HB2 H 1 2.640 0.05 . 2 . . . . 43 D HB1 . 17283 1 397 . 1 1 43 43 ASP CA C 13 54.390 0.25 . 1 . . . . 43 D CA . 17283 1 398 . 1 1 43 43 ASP CB C 13 41.190 0.25 . 1 . . . . 43 D CB . 17283 1 399 . 1 1 43 43 ASP N N 15 122.522 0.14 . 1 . . . . 43 D N . 17283 1 400 . 1 1 44 44 ALA HA H 1 4.860 0.05 . 1 . . . . 44 A HA . 17283 1 401 . 1 1 44 44 ALA HB1 H 1 1.530 0.05 . 1 . . . . 44 A HB1 . 17283 1 402 . 1 1 44 44 ALA HB2 H 1 1.530 0.05 . 1 . . . . 44 A HB2 . 17283 1 403 . 1 1 44 44 ALA HB3 H 1 1.530 0.05 . 1 . . . . 44 A HB3 . 17283 1 404 . 1 1 44 44 ALA CA C 13 53.430 0.25 . 1 . . . . 44 A CA . 17283 1 405 . 1 1 45 45 SER HA H 1 4.413 0.05 . 1 . . . . 45 S HA . 17283 1 406 . 1 1 45 45 SER HB2 H 1 3.808 0.05 . 2 . . . . 45 S HB1 . 17283 1 407 . 1 1 45 45 SER C C 13 173.085 0.11 . 1 . . . . 45 S C . 17283 1 408 . 1 1 45 45 SER CA C 13 58.640 0.25 . 1 . . . . 45 S CA . 17283 1 409 . 1 1 45 45 SER CB C 13 63.790 0.25 . 1 . . . . 45 S CB . 17283 1 410 . 1 1 46 46 ARG H H 1 8.053 0.01 . 1 . . . . 46 R HN . 17283 1 411 . 1 1 46 46 ARG HG2 H 1 1.547 0.05 . 2 . . . . 46 R HG1 . 17283 1 412 . 1 1 46 46 ARG CA C 13 53.630 0.25 . 1 . . . . 46 R CA . 17283 1 413 . 1 1 46 46 ARG CB C 13 32.550 0.25 . 1 . . . . 46 R CB . 17283 1 414 . 1 1 46 46 ARG N N 15 121.645 0.14 . 1 . . . . 46 R N . 17283 1 415 . 1 1 47 47 LEU HA H 1 4.260 0.05 . 1 . . . . 47 L HA . 17283 1 416 . 1 1 47 47 LEU HD11 H 1 0.864 0.05 . 2 . . . . 47 L HD11 . 17283 1 417 . 1 1 47 47 LEU HD12 H 1 0.864 0.05 . 2 . . . . 47 L HD12 . 17283 1 418 . 1 1 47 47 LEU HD13 H 1 0.864 0.05 . 2 . . . . 47 L HD13 . 17283 1 419 . 1 1 49 49 TYR HA H 1 5.324 0.05 . 1 . . . . 49 Y HA . 17283 1 420 . 1 1 49 49 TYR HB2 H 1 2.449 0.05 . 2 . . . . 49 Y HB1 . 17283 1 421 . 1 1 49 49 TYR HD1 H 1 6.620 0.05 . 3 . . . . 49 Y HD1 . 17283 1 422 . 1 1 49 49 TYR C C 13 174.910 0.11 . 1 . . . . 49 Y C . 17283 1 423 . 1 1 49 49 TYR CA C 13 56.997 0.25 . 1 . . . . 49 Y CA . 17283 1 424 . 1 1 49 49 TYR CB C 13 40.242 0.25 . 1 . . . . 49 Y CB . 17283 1 425 . 1 1 50 50 ASP H H 1 9.372 0.01 . 1 . . . . 50 D HN . 17283 1 426 . 1 1 50 50 ASP HA H 1 5.522 0.05 . 1 . . . . 50 D HA . 17283 1 427 . 1 1 50 50 ASP HB2 H 1 2.564 0.05 . 2 . . . . 50 D HB1 . 17283 1 428 . 1 1 50 50 ASP HB3 H 1 2.432 0.05 . 2 . . . . 50 D HB2 . 17283 1 429 . 1 1 50 50 ASP C C 13 173.681 0.11 . 1 . . . . 50 D C . 17283 1 430 . 1 1 50 50 ASP CA C 13 54.004 0.25 . 1 . . . . 50 D CA . 17283 1 431 . 1 1 50 50 ASP CB C 13 42.720 0.25 . 1 . . . . 50 D CB . 17283 1 432 . 1 1 50 50 ASP N N 15 122.563 0.14 . 1 . . . . 50 D N . 17283 1 433 . 1 1 51 51 PHE H H 1 9.734 0.01 . 1 . . . . 51 F HN . 17283 1 434 . 1 1 51 51 PHE HA H 1 4.904 0.05 . 1 . . . . 51 F HA . 17283 1 435 . 1 1 51 51 PHE HB2 H 1 3.252 0.05 . 2 . . . . 51 F HB1 . 17283 1 436 . 1 1 51 51 PHE HB3 H 1 2.490 0.05 . 2 . . . . 51 F HB2 . 17283 1 437 . 1 1 51 51 PHE C C 13 173.552 0.11 . 1 . . . . 51 F C . 17283 1 438 . 1 1 51 51 PHE CA C 13 57.427 0.25 . 1 . . . . 51 F CA . 17283 1 439 . 1 1 51 51 PHE CB C 13 43.604 0.25 . 1 . . . . 51 F CB . 17283 1 440 . 1 1 51 51 PHE N N 15 127.678 0.14 . 1 . . . . 51 F N . 17283 1 441 . 1 1 52 52 ARG H H 1 8.458 0.01 . 1 . . . . 52 R HN . 17283 1 442 . 1 1 52 52 ARG HA H 1 5.551 0.05 . 1 . . . . 52 R HA . 17283 1 443 . 1 1 52 52 ARG HD2 H 1 3.891 0.05 . 2 . . . . 52 R HD1 . 17283 1 444 . 1 1 52 52 ARG HD3 H 1 3.474 0.05 . 2 . . . . 52 R HD2 . 17283 1 445 . 1 1 52 52 ARG C C 13 173.835 0.11 . 1 . . . . 52 R C . 17283 1 446 . 1 1 52 52 ARG CA C 13 54.009 0.25 . 1 . . . . 52 R CA . 17283 1 447 . 1 1 52 52 ARG CB C 13 32.471 0.25 . 1 . . . . 52 R CB . 17283 1 448 . 1 1 52 52 ARG N N 15 125.473 0.14 . 1 . . . . 52 R N . 17283 1 449 . 1 1 53 53 LEU H H 1 9.027 0.01 . 1 . . . . 53 L HN . 17283 1 450 . 1 1 53 53 LEU HA H 1 4.214 0.05 . 1 . . . . 53 L HA . 17283 1 451 . 1 1 53 53 LEU HB2 H 1 1.710 0.05 . 2 . . . . 53 L HB1 . 17283 1 452 . 1 1 53 53 LEU HD11 H 1 -0.850 0.05 . 2 . . . . 53 L HD11 . 17283 1 453 . 1 1 53 53 LEU HD12 H 1 -0.850 0.05 . 2 . . . . 53 L HD12 . 17283 1 454 . 1 1 53 53 LEU HD13 H 1 -0.850 0.05 . 2 . . . . 53 L HD13 . 17283 1 455 . 1 1 53 53 LEU HD21 H 1 0.574 0.05 . 2 . . . . 53 L HD21 . 17283 1 456 . 1 1 53 53 LEU HD22 H 1 0.574 0.05 . 2 . . . . 53 L HD22 . 17283 1 457 . 1 1 53 53 LEU HD23 H 1 0.574 0.05 . 2 . . . . 53 L HD23 . 17283 1 458 . 1 1 53 53 LEU C C 13 175.955 0.11 . 1 . . . . 53 L C . 17283 1 459 . 1 1 53 53 LEU CA C 13 53.362 0.25 . 1 . . . . 53 L CA . 17283 1 460 . 1 1 53 53 LEU CB C 13 43.053 0.25 . 1 . . . . 53 L CB . 17283 1 461 . 1 1 53 53 LEU CD1 C 13 23.296 0.30 . 2 . . . . 53 L CD1 . 17283 1 462 . 1 1 53 53 LEU N N 15 120.906 0.14 . 1 . . . . 53 L N . 17283 1 463 . 1 1 54 54 GLU H H 1 9.003 0.01 . 1 . . . . 54 E HN . 17283 1 464 . 1 1 54 54 GLU HA H 1 4.682 0.05 . 1 . . . . 54 E HA . 17283 1 465 . 1 1 54 54 GLU HB2 H 1 1.600 0.05 . 2 . . . . 54 E HB1 . 17283 1 466 . 1 1 54 54 GLU HG2 H 1 2.110 0.05 . 2 . . . . 54 E HG1 . 17283 1 467 . 1 1 54 54 GLU HG3 H 1 2.550 0.05 . 2 . . . . 54 E HG2 . 17283 1 468 . 1 1 54 54 GLU C C 13 175.956 0.11 . 1 . . . . 54 E C . 17283 1 469 . 1 1 54 54 GLU CA C 13 56.915 0.25 . 1 . . . . 54 E CA . 17283 1 470 . 1 1 54 54 GLU CB C 13 31.141 0.25 . 1 . . . . 54 E CB . 17283 1 471 . 1 1 54 54 GLU CG C 13 35.787 0.30 . 1 . . . . 54 E CG . 17283 1 472 . 1 1 54 54 GLU N N 15 124.566 0.14 . 1 . . . . 54 E N . 17283 1 473 . 1 1 55 55 LEU H H 1 8.995 0.01 . 1 . . . . 55 L HN . 17283 1 474 . 1 1 55 55 LEU HA H 1 4.567 0.05 . 1 . . . . 55 L HA . 17283 1 475 . 1 1 55 55 LEU HB2 H 1 1.743 0.05 . 2 . . . . 55 L HB1 . 17283 1 476 . 1 1 55 55 LEU HD11 H 1 1.070 0.05 . 2 . . . . 55 L HD11 . 17283 1 477 . 1 1 55 55 LEU HD12 H 1 1.070 0.05 . 2 . . . . 55 L HD12 . 17283 1 478 . 1 1 55 55 LEU HD13 H 1 1.070 0.05 . 2 . . . . 55 L HD13 . 17283 1 479 . 1 1 55 55 LEU HG H 1 1.570 0.05 . 1 . . . . 55 L HG . 17283 1 480 . 1 1 55 55 LEU C C 13 175.320 0.11 . 1 . . . . 55 L C . 17283 1 481 . 1 1 55 55 LEU CA C 13 56.368 0.25 . 1 . . . . 55 L CA . 17283 1 482 . 1 1 55 55 LEU CB C 13 44.096 0.25 . 1 . . . . 55 L CB . 17283 1 483 . 1 1 55 55 LEU CD1 C 13 23.296 0.30 . 2 . . . . 55 L CD1 . 17283 1 484 . 1 1 55 55 LEU CG C 13 27.122 0.30 . 1 . . . . 55 L CG . 17283 1 485 . 1 1 55 55 LEU N N 15 124.036 0.14 . 1 . . . . 55 L N . 17283 1 486 . 1 1 56 56 ASP H H 1 9.092 0.01 . 1 . . . . 56 D HN . 17283 1 487 . 1 1 56 56 ASP HA H 1 4.322 0.05 . 1 . . . . 56 D HA . 17283 1 488 . 1 1 56 56 ASP HB2 H 1 2.953 0.05 . 2 . . . . 56 D HB1 . 17283 1 489 . 1 1 56 56 ASP HB3 H 1 2.652 0.05 . 2 . . . . 56 D HB2 . 17283 1 490 . 1 1 56 56 ASP C C 13 176.761 0.11 . 1 . . . . 56 D C . 17283 1 491 . 1 1 56 56 ASP CA C 13 55.928 0.25 . 1 . . . . 56 D CA . 17283 1 492 . 1 1 56 56 ASP CB C 13 39.695 0.25 . 1 . . . . 56 D CB . 17283 1 493 . 1 1 56 56 ASP N N 15 125.247 0.14 . 1 . . . . 56 D N . 17283 1 494 . 1 1 57 57 GLY H H 1 8.969 0.01 . 1 . . . . 57 G HN . 17283 1 495 . 1 1 57 57 GLY HA2 H 1 4.138 0.05 . 2 . . . . 57 G HA1 . 17283 1 496 . 1 1 57 57 GLY HA3 H 1 3.731 0.05 . 2 . . . . 57 G HA2 . 17283 1 497 . 1 1 57 57 GLY C C 13 173.345 0.11 . 1 . . . . 57 G C . 17283 1 498 . 1 1 57 57 GLY CA C 13 46.446 0.25 . 1 . . . . 57 G CA . 17283 1 499 . 1 1 57 57 GLY N N 15 103.514 0.14 . 1 . . . . 57 G N . 17283 1 500 . 1 1 58 58 THR H H 1 7.810 0.01 . 1 . . . . 58 T HN . 17283 1 501 . 1 1 58 58 THR HA H 1 4.515 0.05 . 1 . . . . 58 T HA . 17283 1 502 . 1 1 58 58 THR HB H 1 3.931 0.05 . 1 . . . . 58 T HB . 17283 1 503 . 1 1 58 58 THR HG21 H 1 1.067 0.05 . 1 . . . . 58 T HG21 . 17283 1 504 . 1 1 58 58 THR HG22 H 1 1.067 0.05 . 1 . . . . 58 T HG22 . 17283 1 505 . 1 1 58 58 THR HG23 H 1 1.067 0.05 . 1 . . . . 58 T HG23 . 17283 1 506 . 1 1 58 58 THR C C 13 170.918 0.11 . 1 . . . . 58 T C . 17283 1 507 . 1 1 58 58 THR CA C 13 60.500 0.25 . 1 . . . . 58 T CA . 17283 1 508 . 1 1 58 58 THR CB C 13 71.046 0.25 . 1 . . . . 58 T CB . 17283 1 509 . 1 1 58 58 THR CG2 C 13 20.679 0.30 . 1 . . . . 58 T CG2 . 17283 1 510 . 1 1 58 58 THR N N 15 114.584 0.14 . 1 . . . . 58 T N . 17283 1 511 . 1 1 59 59 LEU H H 1 8.787 0.01 . 1 . . . . 59 L HN . 17283 1 512 . 1 1 59 59 LEU HA H 1 4.760 0.05 . 1 . . . . 59 L HA . 17283 1 513 . 1 1 59 59 LEU HB2 H 1 1.890 0.05 . 2 . . . . 59 L HB1 . 17283 1 514 . 1 1 59 59 LEU HB3 H 1 1.390 0.05 . 2 . . . . 59 L HB2 . 17283 1 515 . 1 1 59 59 LEU HD11 H 1 0.762 0.05 . 2 . . . . 59 L HD11 . 17283 1 516 . 1 1 59 59 LEU HD12 H 1 0.762 0.05 . 2 . . . . 59 L HD12 . 17283 1 517 . 1 1 59 59 LEU HD13 H 1 0.762 0.05 . 2 . . . . 59 L HD13 . 17283 1 518 . 1 1 59 59 LEU HD21 H 1 0.574 0.05 . 2 . . . . 59 L HD21 . 17283 1 519 . 1 1 59 59 LEU HD22 H 1 0.574 0.05 . 2 . . . . 59 L HD22 . 17283 1 520 . 1 1 59 59 LEU HD23 H 1 0.574 0.05 . 2 . . . . 59 L HD23 . 17283 1 521 . 1 1 59 59 LEU HG H 1 1.390 0.05 . 1 . . . . 59 L HG . 17283 1 522 . 1 1 59 59 LEU C C 13 177.701 0.11 . 1 . . . . 59 L C . 17283 1 523 . 1 1 59 59 LEU CA C 13 52.825 0.25 . 1 . . . . 59 L CA . 17283 1 524 . 1 1 59 59 LEU CB C 13 40.699 0.25 . 1 . . . . 59 L CB . 17283 1 525 . 1 1 59 59 LEU N N 15 119.805 0.14 . 1 . . . . 59 L N . 17283 1 526 . 1 1 60 60 LYS H H 1 9.173 0.01 . 1 . . . . 60 K HN . 17283 1 527 . 1 1 60 60 LYS HA H 1 4.072 0.05 . 1 . . . . 60 K HA . 17283 1 528 . 1 1 60 60 LYS HB2 H 1 1.910 0.05 . 2 . . . . 60 K HB1 . 17283 1 529 . 1 1 60 60 LYS HD2 H 1 1.400 0.05 . 2 . . . . 60 K HD1 . 17283 1 530 . 1 1 60 60 LYS HG2 H 1 1.283 0.05 . 2 . . . . 60 K HG1 . 17283 1 531 . 1 1 60 60 LYS C C 13 175.810 0.11 . 1 . . . . 60 K C . 17283 1 532 . 1 1 60 60 LYS CA C 13 54.425 0.25 . 1 . . . . 60 K CA . 17283 1 533 . 1 1 60 60 LYS CB C 13 28.806 0.25 . 1 . . . . 60 K CB . 17283 1 534 . 1 1 60 60 LYS CE C 13 41.609 0.30 . 1 . . . . 60 K CE . 17283 1 535 . 1 1 60 60 LYS N N 15 130.224 0.14 . 1 . . . . 60 K N . 17283 1 536 . 1 1 61 61 SER H H 1 9.051 0.01 . 1 . . . . 61 S HN . 17283 1 537 . 1 1 61 61 SER HA H 1 5.444 0.05 . 1 . . . . 61 S HA . 17283 1 538 . 1 1 61 61 SER HB2 H 1 3.440 0.05 . 2 . . . . 61 S HB1 . 17283 1 539 . 1 1 61 61 SER C C 13 171.617 0.11 . 1 . . . . 61 S C . 17283 1 540 . 1 1 61 61 SER CA C 13 59.102 0.25 . 1 . . . . 61 S CA . 17283 1 541 . 1 1 61 61 SER CB C 13 67.301 0.25 . 1 . . . . 61 S CB . 17283 1 542 . 1 1 61 61 SER N N 15 119.802 0.14 . 1 . . . . 61 S N . 17283 1 543 . 1 1 62 62 TRP H H 1 9.270 0.01 . 1 . . . . 62 W HN . 17283 1 544 . 1 1 62 62 TRP HA H 1 5.248 0.05 . 1 . . . . 62 W HA . 17283 1 545 . 1 1 62 62 TRP HB2 H 1 2.930 0.05 . 2 . . . . 62 W HB1 . 17283 1 546 . 1 1 62 62 TRP HB3 H 1 2.534 0.05 . 2 . . . . 62 W HB2 . 17283 1 547 . 1 1 62 62 TRP HD1 H 1 7.610 0.05 . 1 . . . . 62 W HD1 . 17283 1 548 . 1 1 62 62 TRP HE1 H 1 10.525 0.05 . 1 . . . . 62 W HE1 . 17283 1 549 . 1 1 62 62 TRP HZ2 H 1 7.890 0.05 . 1 . . . . 62 W HZ2 . 17283 1 550 . 1 1 62 62 TRP C C 13 175.014 0.11 . 1 . . . . 62 W C . 17283 1 551 . 1 1 62 62 TRP CA C 13 57.269 0.25 . 1 . . . . 62 W CA . 17283 1 552 . 1 1 62 62 TRP CB C 13 34.584 0.25 . 1 . . . . 62 W CB . 17283 1 553 . 1 1 62 62 TRP N N 15 122.660 0.14 . 1 . . . . 62 W N . 17283 1 554 . 1 1 62 62 TRP NE1 N 15 132.910 0.14 . 1 . . . . 62 W NE1 . 17283 1 555 . 1 1 63 63 ALA H H 1 9.798 0.01 . 1 . . . . 63 A HN . 17283 1 556 . 1 1 63 63 ALA HA H 1 5.150 0.05 . 1 . . . . 63 A HA . 17283 1 557 . 1 1 63 63 ALA HB1 H 1 1.377 0.05 . 1 . . . . 63 A HB1 . 17283 1 558 . 1 1 63 63 ALA HB2 H 1 1.377 0.05 . 1 . . . . 63 A HB2 . 17283 1 559 . 1 1 63 63 ALA HB3 H 1 1.377 0.05 . 1 . . . . 63 A HB3 . 17283 1 560 . 1 1 63 63 ALA C C 13 177.279 0.11 . 1 . . . . 63 A C . 17283 1 561 . 1 1 63 63 ALA CA C 13 50.962 0.25 . 1 . . . . 63 A CA . 17283 1 562 . 1 1 63 63 ALA CB C 13 20.438 0.25 . 1 . . . . 63 A CB . 17283 1 563 . 1 1 63 63 ALA N N 15 127.580 0.14 . 1 . . . . 63 A N . 17283 1 564 . 1 1 64 64 VAL H H 1 9.230 0.01 . 1 . . . . 64 V HN . 17283 1 565 . 1 1 64 64 VAL HA H 1 4.370 0.05 . 1 . . . . 64 V HA . 17283 1 566 . 1 1 64 64 VAL HG11 H 1 0.723 0.05 . 2 . . . . 64 V HG11 . 17283 1 567 . 1 1 64 64 VAL HG12 H 1 0.723 0.05 . 2 . . . . 64 V HG12 . 17283 1 568 . 1 1 64 64 VAL HG13 H 1 0.723 0.05 . 2 . . . . 64 V HG13 . 17283 1 569 . 1 1 64 64 VAL HG21 H 1 0.610 0.05 . 2 . . . . 64 V HG21 . 17283 1 570 . 1 1 64 64 VAL HG22 H 1 0.610 0.05 . 2 . . . . 64 V HG22 . 17283 1 571 . 1 1 64 64 VAL HG23 H 1 0.610 0.05 . 2 . . . . 64 V HG23 . 17283 1 572 . 1 1 64 64 VAL C C 13 175.424 0.11 . 1 . . . . 64 V C . 17283 1 573 . 1 1 64 64 VAL CA C 13 58.116 0.25 . 1 . . . . 64 V CA . 17283 1 574 . 1 1 64 64 VAL CB C 13 31.487 0.25 . 1 . . . . 64 V CB . 17283 1 575 . 1 1 64 64 VAL N N 15 124.472 0.14 . 1 . . . . 64 V N . 17283 1 576 . 1 1 65 65 PRO HA H 1 4.614 0.05 . 1 . . . . 65 P HA . 17283 1 577 . 1 1 65 65 PRO HB2 H 1 2.342 0.05 . 2 . . . . 65 P HB1 . 17283 1 578 . 1 1 65 65 PRO HB3 H 1 2.070 0.05 . 2 . . . . 65 P HB2 . 17283 1 579 . 1 1 65 65 PRO HD2 H 1 3.490 0.05 . 2 . . . . 65 P HD1 . 17283 1 580 . 1 1 65 65 PRO HD3 H 1 3.570 0.05 . 2 . . . . 65 P HD2 . 17283 1 581 . 1 1 65 65 PRO HG2 H 1 2.092 0.05 . 2 . . . . 65 P HG1 . 17283 1 582 . 1 1 65 65 PRO C C 13 176.064 0.11 . 1 . . . . 65 P C . 17283 1 583 . 1 1 65 65 PRO CA C 13 62.655 0.25 . 1 . . . . 65 P CA . 17283 1 584 . 1 1 65 65 PRO CB C 13 34.502 0.25 . 1 . . . . 65 P CB . 17283 1 585 . 1 1 65 65 PRO CD C 13 50.198 0.30 . 1 . . . . 65 P CD . 17283 1 586 . 1 1 65 65 PRO CG C 13 24.963 0.30 . 1 . . . . 65 P CG . 17283 1 587 . 1 1 66 66 LYS H H 1 8.658 0.01 . 1 . . . . 66 K HN . 17283 1 588 . 1 1 66 66 LYS HA H 1 4.289 0.05 . 1 . . . . 66 K HA . 17283 1 589 . 1 1 66 66 LYS HB2 H 1 2.045 0.05 . 2 . . . . 66 K HB1 . 17283 1 590 . 1 1 66 66 LYS HB3 H 1 1.884 0.05 . 2 . . . . 66 K HB2 . 17283 1 591 . 1 1 66 66 LYS C C 13 176.654 0.11 . 1 . . . . 66 K C . 17283 1 592 . 1 1 66 66 LYS CA C 13 56.158 0.25 . 1 . . . . 66 K CA . 17283 1 593 . 1 1 66 66 LYS CB C 13 29.674 0.25 . 1 . . . . 66 K CB . 17283 1 594 . 1 1 66 66 LYS N N 15 121.838 0.14 . 1 . . . . 66 K N . 17283 1 595 . 1 1 67 67 GLY H H 1 8.085 0.01 . 1 . . . . 67 G HN . 17283 1 596 . 1 1 67 67 GLY C C 13 174.018 0.11 . 1 . . . . 67 G C . 17283 1 597 . 1 1 67 67 GLY CA C 13 44.750 0.25 . 1 . . . . 67 G CA . 17283 1 598 . 1 1 67 67 GLY N N 15 108.494 0.14 . 1 . . . . 67 G N . 17283 1 599 . 1 1 69 69 CYS HA H 1 4.730 0.05 . 1 . . . . 69 C HA . 17283 1 600 . 1 1 69 69 CYS HB2 H 1 3.160 0.05 . 2 . . . . 69 C HB1 . 17283 1 601 . 1 1 69 69 CYS C C 13 172.925 0.11 . 1 . . . . 69 C C . 17283 1 602 . 1 1 69 69 CYS CA C 13 57.438 0.25 . 1 . . . . 69 C CA . 17283 1 603 . 1 1 69 69 CYS CB C 13 29.017 0.25 . 1 . . . . 69 C CB . 17283 1 604 . 1 1 70 70 LEU H H 1 8.681 0.01 . 1 . . . . 70 L HN . 17283 1 605 . 1 1 70 70 LEU HA H 1 4.334 0.05 . 1 . . . . 70 L HA . 17283 1 606 . 1 1 70 70 LEU HB2 H 1 1.319 0.05 . 2 . . . . 70 L HB1 . 17283 1 607 . 1 1 70 70 LEU HB3 H 1 1.860 0.05 . 2 . . . . 70 L HB2 . 17283 1 608 . 1 1 70 70 LEU HD11 H 1 0.852 0.05 . 2 . . . . 70 L HD11 . 17283 1 609 . 1 1 70 70 LEU HD12 H 1 0.852 0.05 . 2 . . . . 70 L HD12 . 17283 1 610 . 1 1 70 70 LEU HD13 H 1 0.852 0.05 . 2 . . . . 70 L HD13 . 17283 1 611 . 1 1 70 70 LEU HG H 1 1.200 0.05 . 1 . . . . 70 L HG . 17283 1 612 . 1 1 70 70 LEU C C 13 174.767 0.11 . 1 . . . . 70 L C . 17283 1 613 . 1 1 70 70 LEU CA C 13 55.330 0.25 . 1 . . . . 70 L CA . 17283 1 614 . 1 1 70 70 LEU CB C 13 41.197 0.25 . 1 . . . . 70 L CB . 17283 1 615 . 1 1 70 70 LEU N N 15 125.138 0.14 . 1 . . . . 70 L N . 17283 1 616 . 1 1 71 71 ASP H H 1 7.965 0.01 . 1 . . . . 71 D HN . 17283 1 617 . 1 1 71 71 ASP HA H 1 4.910 0.05 . 1 . . . . 71 D HA . 17283 1 618 . 1 1 71 71 ASP HB2 H 1 2.650 0.05 . 2 . . . . 71 D HB2 . 17283 1 619 . 1 1 71 71 ASP C C 13 175.774 0.11 . 1 . . . . 71 D C . 17283 1 620 . 1 1 71 71 ASP CA C 13 51.228 0.25 . 1 . . . . 71 D CA . 17283 1 621 . 1 1 71 71 ASP CB C 13 42.260 0.25 . 1 . . . . 71 D CB . 17283 1 622 . 1 1 71 71 ASP N N 15 122.849 0.14 . 1 . . . . 71 D N . 17283 1 623 . 1 1 72 72 PRO HA H 1 4.822 0.05 . 1 . . . . 72 P HA . 17283 1 624 . 1 1 72 72 PRO HB2 H 1 2.373 0.05 . 2 . . . . 72 P HB1 . 17283 1 625 . 1 1 72 72 PRO HB3 H 1 2.153 0.05 . 2 . . . . 72 P HB2 . 17283 1 626 . 1 1 72 72 PRO HD2 H 1 4.150 0.05 . 2 . . . . 72 P HD1 . 17283 1 627 . 1 1 72 72 PRO HG2 H 1 1.905 0.05 . 2 . . . . 72 P HG1 . 17283 1 628 . 1 1 72 72 PRO C C 13 176.299 0.11 . 1 . . . . 72 P C . 17283 1 629 . 1 1 72 72 PRO CA C 13 62.701 0.25 . 1 . . . . 72 P CA . 17283 1 630 . 1 1 72 72 PRO CB C 13 34.399 0.25 . 1 . . . . 72 P CB . 17283 1 631 . 1 1 72 72 PRO CG C 13 24.876 0.30 . 1 . . . . 72 P CG . 17283 1 632 . 1 1 73 73 ALA H H 1 8.561 0.01 . 1 . . . . 73 A HN . 17283 1 633 . 1 1 73 73 ALA HA H 1 4.157 0.05 . 1 . . . . 73 A HA . 17283 1 634 . 1 1 73 73 ALA HB1 H 1 1.342 0.05 . 1 . . . . 73 A HB1 . 17283 1 635 . 1 1 73 73 ALA HB2 H 1 1.342 0.05 . 1 . . . . 73 A HB2 . 17283 1 636 . 1 1 73 73 ALA HB3 H 1 1.342 0.05 . 1 . . . . 73 A HB3 . 17283 1 637 . 1 1 73 73 ALA C C 13 177.463 0.11 . 1 . . . . 73 A C . 17283 1 638 . 1 1 73 73 ALA CA C 13 51.856 0.25 . 1 . . . . 73 A CA . 17283 1 639 . 1 1 73 73 ALA CB C 13 19.130 0.25 . 1 . . . . 73 A CB . 17283 1 640 . 1 1 73 73 ALA N N 15 118.001 0.14 . 1 . . . . 73 A N . 17283 1 641 . 1 1 74 74 VAL H H 1 7.829 0.01 . 1 . . . . 74 V HN . 17283 1 642 . 1 1 74 74 VAL HA H 1 4.249 0.05 . 1 . . . . 74 V HA . 17283 1 643 . 1 1 74 74 VAL HB H 1 1.587 0.05 . 1 . . . . 74 V HB . 17283 1 644 . 1 1 74 74 VAL HG11 H 1 0.899 0.05 . 2 . . . . 74 V HG11 . 17283 1 645 . 1 1 74 74 VAL HG12 H 1 0.899 0.05 . 2 . . . . 74 V HG12 . 17283 1 646 . 1 1 74 74 VAL HG13 H 1 0.899 0.05 . 2 . . . . 74 V HG13 . 17283 1 647 . 1 1 74 74 VAL C C 13 173.981 0.11 . 1 . . . . 74 V C . 17283 1 648 . 1 1 74 74 VAL CA C 13 62.036 0.25 . 1 . . . . 74 V CA . 17283 1 649 . 1 1 74 74 VAL CB C 13 33.077 0.25 . 1 . . . . 74 V CB . 17283 1 650 . 1 1 74 74 VAL CG1 C 13 21.435 0.30 . 2 . . . . 74 V CG1 . 17283 1 651 . 1 1 74 74 VAL N N 15 121.739 0.14 . 1 . . . . 74 V N . 17283 1 652 . 1 1 75 75 LYS H H 1 8.339 0.01 . 1 . . . . 75 K HN . 17283 1 653 . 1 1 75 75 LYS HA H 1 4.408 0.05 . 1 . . . . 75 K HA . 17283 1 654 . 1 1 75 75 LYS HB2 H 1 1.170 0.05 . 2 . . . . 75 K HB1 . 17283 1 655 . 1 1 75 75 LYS HD2 H 1 1.265 0.05 . 2 . . . . 75 K HD1 . 17283 1 656 . 1 1 75 75 LYS HG2 H 1 0.877 0.05 . 2 . . . . 75 K HG1 . 17283 1 657 . 1 1 75 75 LYS C C 13 176.410 0.11 . 1 . . . . 75 K C . 17283 1 658 . 1 1 75 75 LYS CA C 13 54.723 0.25 . 1 . . . . 75 K CA . 17283 1 659 . 1 1 75 75 LYS CB C 13 31.643 0.25 . 1 . . . . 75 K CB . 17283 1 660 . 1 1 75 75 LYS CG C 13 24.197 0.30 . 1 . . . . 75 K CG . 17283 1 661 . 1 1 75 75 LYS N N 15 125.264 0.14 . 1 . . . . 75 K N . 17283 1 662 . 1 1 76 76 ARG H H 1 7.915 0.01 . 1 . . . . 76 R HN . 17283 1 663 . 1 1 76 76 ARG HB2 H 1 1.176 0.05 . 2 . . . . 76 R HB1 . 17283 1 664 . 1 1 76 76 ARG C C 13 175.095 0.11 . 1 . . . . 76 R C . 17283 1 665 . 1 1 76 76 ARG CA C 13 53.088 0.25 . 1 . . . . 76 R CA . 17283 1 666 . 1 1 76 76 ARG CB C 13 29.978 0.25 . 1 . . . . 76 R CB . 17283 1 667 . 1 1 76 76 ARG N N 15 123.748 0.14 . 1 . . . . 76 R N . 17283 1 668 . 1 1 77 77 LEU H H 1 8.646 0.01 . 1 . . . . 77 L HN . 17283 1 669 . 1 1 77 77 LEU HA H 1 4.321 0.05 . 1 . . . . 77 L HA . 17283 1 670 . 1 1 77 77 LEU HB2 H 1 1.787 0.05 . 2 . . . . 77 L HB1 . 17283 1 671 . 1 1 77 77 LEU HD11 H 1 0.918 0.05 . 2 . . . . 77 L HD11 . 17283 1 672 . 1 1 77 77 LEU HD12 H 1 0.918 0.05 . 2 . . . . 77 L HD12 . 17283 1 673 . 1 1 77 77 LEU HD13 H 1 0.918 0.05 . 2 . . . . 77 L HD13 . 17283 1 674 . 1 1 77 77 LEU HG H 1 1.626 0.05 . 1 . . . . 77 L HG . 17283 1 675 . 1 1 77 77 LEU C C 13 174.413 0.11 . 1 . . . . 77 L C . 17283 1 676 . 1 1 77 77 LEU CA C 13 56.450 0.25 . 1 . . . . 77 L CA . 17283 1 677 . 1 1 77 77 LEU CB C 13 42.510 0.25 . 1 . . . . 77 L CB . 17283 1 678 . 1 1 77 77 LEU CD1 C 13 23.459 0.30 . 2 . . . . 77 L CD1 . 17283 1 679 . 1 1 77 77 LEU CG C 13 25.756 0.30 . 1 . . . . 77 L CG . 17283 1 680 . 1 1 77 77 LEU N N 15 127.863 0.14 . 1 . . . . 77 L N . 17283 1 681 . 1 1 78 78 ALA H H 1 8.961 0.01 . 1 . . . . 78 A HN . 17283 1 682 . 1 1 78 78 ALA HA H 1 5.341 0.05 . 1 . . . . 78 A HA . 17283 1 683 . 1 1 78 78 ALA HB1 H 1 0.898 0.05 . 1 . . . . 78 A HB1 . 17283 1 684 . 1 1 78 78 ALA HB2 H 1 0.898 0.05 . 1 . . . . 78 A HB2 . 17283 1 685 . 1 1 78 78 ALA HB3 H 1 0.898 0.05 . 1 . . . . 78 A HB3 . 17283 1 686 . 1 1 78 78 ALA C C 13 175.322 0.11 . 1 . . . . 78 A C . 17283 1 687 . 1 1 78 78 ALA CA C 13 50.082 0.25 . 1 . . . . 78 A CA . 17283 1 688 . 1 1 78 78 ALA CB C 13 21.769 0.25 . 1 . . . . 78 A CB . 17283 1 689 . 1 1 78 78 ALA N N 15 128.374 0.14 . 1 . . . . 78 A N . 17283 1 690 . 1 1 79 79 VAL H H 1 9.649 0.01 . 1 . . . . 79 V HN . 17283 1 691 . 1 1 79 79 VAL HA H 1 4.753 0.05 . 1 . . . . 79 V HA . 17283 1 692 . 1 1 79 79 VAL HB H 1 2.095 0.05 . 1 . . . . 79 V HB . 17283 1 693 . 1 1 79 79 VAL HG11 H 1 0.997 0.05 . 2 . . . . 79 V HG11 . 17283 1 694 . 1 1 79 79 VAL HG12 H 1 0.997 0.05 . 2 . . . . 79 V HG12 . 17283 1 695 . 1 1 79 79 VAL HG13 H 1 0.997 0.05 . 2 . . . . 79 V HG13 . 17283 1 696 . 1 1 79 79 VAL HG21 H 1 0.750 0.05 . 2 . . . . 79 V HG21 . 17283 1 697 . 1 1 79 79 VAL HG22 H 1 0.750 0.05 . 2 . . . . 79 V HG22 . 17283 1 698 . 1 1 79 79 VAL HG23 H 1 0.750 0.05 . 2 . . . . 79 V HG23 . 17283 1 699 . 1 1 79 79 VAL C C 13 176.118 0.11 . 1 . . . . 79 V C . 17283 1 700 . 1 1 79 79 VAL CA C 13 62.108 0.25 . 1 . . . . 79 V CA . 17283 1 701 . 1 1 79 79 VAL CB C 13 33.076 0.25 . 1 . . . . 79 V CB . 17283 1 702 . 1 1 79 79 VAL CG1 C 13 21.656 0.30 . 2 . . . . 79 V CG1 . 17283 1 703 . 1 1 79 79 VAL N N 15 125.403 0.14 . 1 . . . . 79 V N . 17283 1 704 . 1 1 80 80 GLN H H 1 9.103 0.01 . 1 . . . . 80 Q HN . 17283 1 705 . 1 1 80 80 GLN HA H 1 3.674 0.05 . 1 . . . . 80 Q HA . 17283 1 706 . 1 1 80 80 GLN HB2 H 1 2.167 0.05 . 2 . . . . 80 Q HB1 . 17283 1 707 . 1 1 80 80 GLN C C 13 175.533 0.11 . 1 . . . . 80 Q C . 17283 1 708 . 1 1 80 80 GLN CA C 13 58.119 0.25 . 1 . . . . 80 Q CA . 17283 1 709 . 1 1 80 80 GLN CB C 13 28.255 0.25 . 1 . . . . 80 Q CB . 17283 1 710 . 1 1 80 80 GLN CG C 13 33.198 0.30 . 1 . . . . 80 Q CG . 17283 1 711 . 1 1 80 80 GLN N N 15 130.049 0.14 . 1 . . . . 80 Q N . 17283 1 712 . 1 1 81 81 VAL H H 1 7.853 0.01 . 1 . . . . 81 V HN . 17283 1 713 . 1 1 81 81 VAL HA H 1 4.682 0.05 . 1 . . . . 81 V HA . 17283 1 714 . 1 1 81 81 VAL HB H 1 2.295 0.05 . 1 . . . . 81 V HB . 17283 1 715 . 1 1 81 81 VAL HG11 H 1 0.898 0.05 . 2 . . . . 81 V HG11 . 17283 1 716 . 1 1 81 81 VAL HG12 H 1 0.898 0.05 . 2 . . . . 81 V HG12 . 17283 1 717 . 1 1 81 81 VAL HG13 H 1 0.898 0.05 . 2 . . . . 81 V HG13 . 17283 1 718 . 1 1 81 81 VAL HG21 H 1 0.639 0.05 . 2 . . . . 81 V HG21 . 17283 1 719 . 1 1 81 81 VAL HG22 H 1 0.639 0.05 . 2 . . . . 81 V HG22 . 17283 1 720 . 1 1 81 81 VAL HG23 H 1 0.639 0.05 . 2 . . . . 81 V HG23 . 17283 1 721 . 1 1 81 81 VAL C C 13 175.481 0.11 . 1 . . . . 81 V C . 17283 1 722 . 1 1 81 81 VAL CA C 13 59.719 0.25 . 1 . . . . 81 V CA . 17283 1 723 . 1 1 81 81 VAL CB C 13 33.136 0.25 . 1 . . . . 81 V CB . 17283 1 724 . 1 1 81 81 VAL CG1 C 13 21.383 0.30 . 2 . . . . 81 V CG1 . 17283 1 725 . 1 1 81 81 VAL CG2 C 13 18.923 0.30 . 2 . . . . 81 V CG2 . 17283 1 726 . 1 1 81 81 VAL N N 15 122.049 0.14 . 1 . . . . 81 V N . 17283 1 727 . 1 1 82 82 GLU H H 1 8.531 0.01 . 1 . . . . 82 E HN . 17283 1 728 . 1 1 82 82 GLU HA H 1 4.025 0.05 . 1 . . . . 82 E HA . 17283 1 729 . 1 1 82 82 GLU HB2 H 1 1.970 0.05 . 2 . . . . 82 E HB1 . 17283 1 730 . 1 1 82 82 GLU HB3 H 1 1.870 0.05 . 2 . . . . 82 E HB2 . 17283 1 731 . 1 1 82 82 GLU HG2 H 1 2.271 0.05 . 2 . . . . 82 E HG1 . 17283 1 732 . 1 1 82 82 GLU HG3 H 1 2.370 0.05 . 2 . . . . 82 E HG2 . 17283 1 733 . 1 1 82 82 GLU C C 13 175.779 0.11 . 1 . . . . 82 E C . 17283 1 734 . 1 1 82 82 GLU CA C 13 56.593 0.25 . 1 . . . . 82 E CA . 17283 1 735 . 1 1 82 82 GLU CB C 13 28.793 0.25 . 1 . . . . 82 E CB . 17283 1 736 . 1 1 82 82 GLU CG C 13 33.136 0.30 . 1 . . . . 82 E CG . 17283 1 737 . 1 1 82 82 GLU N N 15 121.273 0.14 . 1 . . . . 82 E N . 17283 1 738 . 1 1 83 83 ASP H H 1 8.364 0.01 . 1 . . . . 83 D HN . 17283 1 739 . 1 1 83 83 ASP HA H 1 4.523 0.05 . 1 . . . . 83 D HA . 17283 1 740 . 1 1 83 83 ASP HB2 H 1 2.777 0.05 . 2 . . . . 83 D HB1 . 17283 1 741 . 1 1 83 83 ASP HB3 H 1 2.681 0.05 . 2 . . . . 83 D HB2 . 17283 1 742 . 1 1 83 83 ASP C C 13 176.299 0.11 . 1 . . . . 83 D C . 17283 1 743 . 1 1 83 83 ASP CA C 13 55.002 0.25 . 1 . . . . 83 D CA . 17283 1 744 . 1 1 83 83 ASP CB C 13 40.050 0.25 . 1 . . . . 83 D CB . 17283 1 745 . 1 1 83 83 ASP N N 15 121.818 0.14 . 1 . . . . 83 D N . 17283 1 746 . 1 1 84 84 HIS H H 1 8.485 0.01 . 1 . . . . 84 H HN . 17283 1 747 . 1 1 84 84 HIS HA H 1 4.967 0.05 . 1 . . . . 84 H HA . 17283 1 748 . 1 1 84 84 HIS HB2 H 1 3.021 0.05 . 2 . . . . 84 H HB1 . 17283 1 749 . 1 1 84 84 HIS C C 13 171.279 0.11 . 1 . . . . 84 H C . 17283 1 750 . 1 1 84 84 HIS CA C 13 56.732 0.25 . 1 . . . . 84 H CA . 17283 1 751 . 1 1 84 84 HIS CB C 13 28.791 0.25 . 1 . . . . 84 H CB . 17283 1 752 . 1 1 84 84 HIS N N 15 121.317 0.14 . 1 . . . . 84 H N . 17283 1 753 . 1 1 85 85 PRO HA H 1 4.860 0.05 . 1 . . . . 85 P HA . 17283 1 754 . 1 1 85 85 PRO HD2 H 1 3.870 0.05 . 2 . . . . 85 P HD1 . 17283 1 755 . 1 1 85 85 PRO HD3 H 1 3.708 0.05 . 2 . . . . 85 P HD2 . 17283 1 756 . 1 1 85 85 PRO C C 13 175.877 0.11 . 1 . . . . 85 P C . 17283 1 757 . 1 1 85 85 PRO CA C 13 62.431 0.25 . 1 . . . . 85 P CA . 17283 1 758 . 1 1 85 85 PRO CB C 13 31.055 0.25 . 1 . . . . 85 P CB . 17283 1 759 . 1 1 85 85 PRO CD C 13 50.770 0.30 . 1 . . . . 85 P CD . 17283 1 760 . 1 1 86 86 LEU H H 1 8.499 0.01 . 1 . . . . 86 L HN . 17283 1 761 . 1 1 86 86 LEU HA H 1 4.040 0.05 . 1 . . . . 86 L HA . 17283 1 762 . 1 1 86 86 LEU HD11 H 1 0.670 0.05 . 2 . . . . 86 L HD11 . 17283 1 763 . 1 1 86 86 LEU HD12 H 1 0.670 0.05 . 2 . . . . 86 L HD12 . 17283 1 764 . 1 1 86 86 LEU HD13 H 1 0.670 0.05 . 2 . . . . 86 L HD13 . 17283 1 765 . 1 1 86 86 LEU HD21 H 1 0.590 0.05 . 2 . . . . 86 L HD21 . 17283 1 766 . 1 1 86 86 LEU HD22 H 1 0.590 0.05 . 2 . . . . 86 L HD22 . 17283 1 767 . 1 1 86 86 LEU HD23 H 1 0.590 0.05 . 2 . . . . 86 L HD23 . 17283 1 768 . 1 1 86 86 LEU C C 13 173.955 0.11 . 1 . . . . 86 L C . 17283 1 769 . 1 1 86 86 LEU CA C 13 54.388 0.25 . 1 . . . . 86 L CA . 17283 1 770 . 1 1 86 86 LEU CB C 13 42.541 0.25 . 1 . . . . 86 L CB . 17283 1 771 . 1 1 86 86 LEU N N 15 124.173 0.14 . 1 . . . . 86 L N . 17283 1 772 . 1 1 87 87 ASP H H 1 8.776 0.01 . 1 . . . . 87 D HN . 17283 1 773 . 1 1 87 87 ASP HA H 1 4.330 0.05 . 1 . . . . 87 D HA . 17283 1 774 . 1 1 87 87 ASP CA C 13 52.774 0.25 . 1 . . . . 87 D CA . 17283 1 775 . 1 1 87 87 ASP CB C 13 41.261 0.25 . 1 . . . . 87 D CB . 17283 1 776 . 1 1 87 87 ASP N N 15 127.120 0.14 . 1 . . . . 87 D N . 17283 1 777 . 1 1 88 88 TYR HA H 1 4.387 0.05 . 1 . . . . 88 Y HA . 17283 1 778 . 1 1 88 88 TYR HB2 H 1 3.062 0.05 . 2 . . . . 88 Y HB1 . 17283 1 779 . 1 1 88 88 TYR HB3 H 1 2.908 0.05 . 2 . . . . 88 Y HB2 . 17283 1 780 . 1 1 88 88 TYR HD1 H 1 7.010 0.05 . 3 . . . . 88 Y HD1 . 17283 1 781 . 1 1 88 88 TYR C C 13 175.642 0.11 . 1 . . . . 88 Y C . 17283 1 782 . 1 1 88 88 TYR CA C 13 59.468 0.25 . 1 . . . . 88 Y CA . 17283 1 783 . 1 1 88 88 TYR CB C 13 38.606 0.25 . 1 . . . . 88 Y CB . 17283 1 784 . 1 1 89 89 ALA H H 1 8.206 0.01 . 1 . . . . 89 A HN . 17283 1 785 . 1 1 89 89 ALA HA H 1 4.131 0.05 . 1 . . . . 89 A HA . 17283 1 786 . 1 1 89 89 ALA HB1 H 1 1.248 0.05 . 1 . . . . 89 A HB1 . 17283 1 787 . 1 1 89 89 ALA HB2 H 1 1.248 0.05 . 1 . . . . 89 A HB2 . 17283 1 788 . 1 1 89 89 ALA HB3 H 1 1.248 0.05 . 1 . . . . 89 A HB3 . 17283 1 789 . 1 1 89 89 ALA C C 13 178.188 0.11 . 1 . . . . 89 A C . 17283 1 790 . 1 1 89 89 ALA CA C 13 53.170 0.25 . 1 . . . . 89 A CA . 17283 1 791 . 1 1 89 89 ALA CB C 13 18.917 0.25 . 1 . . . . 89 A CB . 17283 1 792 . 1 1 89 89 ALA N N 15 122.315 0.14 . 1 . . . . 89 A N . 17283 1 793 . 1 1 90 90 ASP H H 1 7.730 0.01 . 1 . . . . 90 D HN . 17283 1 794 . 1 1 90 90 ASP HA H 1 4.589 0.05 . 1 . . . . 90 D HA . 17283 1 795 . 1 1 90 90 ASP HB2 H 1 2.648 0.05 . 2 . . . . 90 D HB1 . 17283 1 796 . 1 1 90 90 ASP HB3 H 1 2.450 0.05 . 2 . . . . 90 D HB2 . 17283 1 797 . 1 1 90 90 ASP C C 13 176.205 0.11 . 1 . . . . 90 D C . 17283 1 798 . 1 1 90 90 ASP CA C 13 55.002 0.25 . 1 . . . . 90 D CA . 17283 1 799 . 1 1 90 90 ASP CB C 13 41.335 0.25 . 1 . . . . 90 D CB . 17283 1 800 . 1 1 90 90 ASP N N 15 117.045 0.14 . 1 . . . . 90 D N . 17283 1 801 . 1 1 91 91 PHE H H 1 7.856 0.01 . 1 . . . . 91 F HN . 17283 1 802 . 1 1 91 91 PHE HA H 1 4.560 0.05 . 1 . . . . 91 F HA . 17283 1 803 . 1 1 91 91 PHE HB2 H 1 2.613 0.05 . 2 . . . . 91 F HB1 . 17283 1 804 . 1 1 91 91 PHE HD1 H 1 7.143 0.05 . 3 . . . . 91 F HD1 . 17283 1 805 . 1 1 91 91 PHE HE1 H 1 7.100 0.05 . 3 . . . . 91 F HE1 . 17283 1 806 . 1 1 91 91 PHE C C 13 175.487 0.11 . 1 . . . . 91 F C . 17283 1 807 . 1 1 91 91 PHE CA C 13 59.042 0.25 . 1 . . . . 91 F CA . 17283 1 808 . 1 1 91 91 PHE CB C 13 39.952 0.25 . 1 . . . . 91 F CB . 17283 1 809 . 1 1 91 91 PHE N N 15 118.933 0.14 . 1 . . . . 91 F N . 17283 1 810 . 1 1 92 92 GLU H H 1 7.890 0.01 . 1 . . . . 92 E HN . 17283 1 811 . 1 1 92 92 GLU HA H 1 4.214 0.05 . 1 . . . . 92 E HA . 17283 1 812 . 1 1 92 92 GLU HB2 H 1 2.044 0.05 . 2 . . . . 92 E HB1 . 17283 1 813 . 1 1 92 92 GLU HB3 H 1 1.908 0.05 . 2 . . . . 92 E HB2 . 17283 1 814 . 1 1 92 92 GLU HG2 H 1 2.259 0.05 . 2 . . . . 92 E HG1 . 17283 1 815 . 1 1 92 92 GLU C C 13 176.819 0.11 . 1 . . . . 92 E C . 17283 1 816 . 1 1 92 92 GLU CA C 13 56.876 0.25 . 1 . . . . 92 E CA . 17283 1 817 . 1 1 92 92 GLU CB C 13 30.864 0.25 . 1 . . . . 92 E CB . 17283 1 818 . 1 1 92 92 GLU CG C 13 36.467 0.30 . 1 . . . . 92 E CG . 17283 1 819 . 1 1 92 92 GLU N N 15 119.535 0.14 . 1 . . . . 92 E N . 17283 1 820 . 1 1 93 93 GLY H H 1 8.143 0.01 . 1 . . . . 93 G HN . 17283 1 821 . 1 1 93 93 GLY HA2 H 1 3.876 0.05 . 2 . . . . 93 G HA1 . 17283 1 822 . 1 1 93 93 GLY HA3 H 1 3.940 0.05 . 2 . . . . 93 G HA2 . 17283 1 823 . 1 1 93 93 GLY C C 13 174.106 0.11 . 1 . . . . 93 G C . 17283 1 824 . 1 1 93 93 GLY CA C 13 45.453 0.25 . 1 . . . . 93 G CA . 17283 1 825 . 1 1 93 93 GLY N N 15 108.715 0.14 . 1 . . . . 93 G N . 17283 1 826 . 1 1 94 94 SER H H 1 8.177 0.01 . 1 . . . . 94 S HN . 17283 1 827 . 1 1 94 94 SER HA H 1 4.464 0.05 . 1 . . . . 94 S HA . 17283 1 828 . 1 1 94 94 SER HB2 H 1 3.809 0.05 . 2 . . . . 94 S HB1 . 17283 1 829 . 1 1 94 94 SER C C 13 174.191 0.11 . 1 . . . . 94 S C . 17283 1 830 . 1 1 94 94 SER CA C 13 58.637 0.25 . 1 . . . . 94 S CA . 17283 1 831 . 1 1 94 94 SER CB C 13 63.804 0.25 . 1 . . . . 94 S CB . 17283 1 832 . 1 1 94 94 SER N N 15 115.749 0.14 . 1 . . . . 94 S N . 17283 1 833 . 1 1 95 95 ILE H H 1 8.162 0.01 . 1 . . . . 95 I HN . 17283 1 834 . 1 1 95 95 ILE HB H 1 1.760 0.05 . 1 . . . . 95 I HB . 17283 1 835 . 1 1 95 95 ILE HD11 H 1 0.713 0.05 . 1 . . . . 95 I HD11 . 17283 1 836 . 1 1 95 95 ILE HD12 H 1 0.713 0.05 . 1 . . . . 95 I HD12 . 17283 1 837 . 1 1 95 95 ILE HD13 H 1 0.713 0.05 . 1 . . . . 95 I HD13 . 17283 1 838 . 1 1 95 95 ILE HG12 H 1 1.354 0.05 . 2 . . . . 95 I HG11 . 17283 1 839 . 1 1 95 95 ILE HG13 H 1 1.420 0.05 . 2 . . . . 95 I HG12 . 17283 1 840 . 1 1 95 95 ILE HG21 H 1 0.980 0.05 . 1 . . . . 95 I HG21 . 17283 1 841 . 1 1 95 95 ILE HG22 H 1 0.980 0.05 . 1 . . . . 95 I HG22 . 17283 1 842 . 1 1 95 95 ILE HG23 H 1 0.980 0.05 . 1 . . . . 95 I HG23 . 17283 1 843 . 1 1 95 95 ILE C C 13 174.717 0.11 . 1 . . . . 95 I C . 17283 1 844 . 1 1 95 95 ILE CB C 13 37.432 0.25 . 1 . . . . 95 I CB . 17283 1 845 . 1 1 95 95 ILE N N 15 123.649 0.14 . 1 . . . . 95 I N . 17283 1 846 . 1 1 96 96 PRO HA H 1 4.321 0.05 . 1 . . . . 96 P HA . 17283 1 847 . 1 1 96 96 PRO HB2 H 1 2.167 0.05 . 2 . . . . 96 P HB1 . 17283 1 848 . 1 1 96 96 PRO HB3 H 1 1.781 0.05 . 2 . . . . 96 P HB2 . 17283 1 849 . 1 1 96 96 PRO HD2 H 1 3.470 0.05 . 2 . . . . 96 P HD1 . 17283 1 850 . 1 1 96 96 PRO HG2 H 1 1.763 0.05 . 2 . . . . 96 P HG1 . 17283 1 851 . 1 1 96 96 PRO C C 13 176.655 0.11 . 1 . . . . 96 P C . 17283 1 852 . 1 1 96 96 PRO CA C 13 63.969 0.25 . 1 . . . . 96 P CA . 17283 1 853 . 1 1 96 96 PRO CB C 13 32.464 0.25 . 1 . . . . 96 P CB . 17283 1 854 . 1 1 96 96 PRO CD C 13 51.812 0.30 . 1 . . . . 96 P CD . 17283 1 855 . 1 1 96 96 PRO CG C 13 27.781 0.30 . 1 . . . . 96 P CG . 17283 1 856 . 1 1 97 97 GLN H H 1 8.388 0.01 . 1 . . . . 97 Q HN . 17283 1 857 . 1 1 97 97 GLN HA H 1 4.241 0.05 . 1 . . . . 97 Q HA . 17283 1 858 . 1 1 97 97 GLN HB2 H 1 2.070 0.05 . 2 . . . . 97 Q HB1 . 17283 1 859 . 1 1 97 97 GLN HB3 H 1 1.934 0.05 . 2 . . . . 97 Q HB2 . 17283 1 860 . 1 1 97 97 GLN HG2 H 1 2.355 0.05 . 2 . . . . 97 Q HG1 . 17283 1 861 . 1 1 97 97 GLN C C 13 176.605 0.11 . 1 . . . . 97 Q C . 17283 1 862 . 1 1 97 97 GLN CA C 13 56.323 0.25 . 1 . . . . 97 Q CA . 17283 1 863 . 1 1 97 97 GLN CB C 13 29.548 0.25 . 1 . . . . 97 Q CB . 17283 1 864 . 1 1 97 97 GLN CG C 13 33.965 0.30 . 1 . . . . 97 Q CG . 17283 1 865 . 1 1 97 97 GLN N N 15 120.121 0.14 . 1 . . . . 97 Q N . 17283 1 866 . 1 1 98 98 GLY H H 1 8.348 0.01 . 1 . . . . 98 G HN . 17283 1 867 . 1 1 98 98 GLY HA2 H 1 3.896 0.05 . 2 . . . . 98 G HA1 . 17283 1 868 . 1 1 98 98 GLY HA3 H 1 3.845 0.05 . 2 . . . . 98 G HA2 . 17283 1 869 . 1 1 98 98 GLY C C 13 173.772 0.11 . 1 . . . . 98 G C . 17283 1 870 . 1 1 98 98 GLY CA C 13 45.432 0.25 . 1 . . . . 98 G CA . 17283 1 871 . 1 1 98 98 GLY N N 15 109.599 0.14 . 1 . . . . 98 G N . 17283 1 872 . 1 1 99 99 HIS H H 1 8.141 0.01 . 1 . . . . 99 H HN . 17283 1 873 . 1 1 99 99 HIS HA H 1 4.565 0.05 . 1 . . . . 99 H HA . 17283 1 874 . 1 1 99 99 HIS HB2 H 1 3.108 0.05 . 2 . . . . 99 H HB1 . 17283 1 875 . 1 1 99 99 HIS HB3 H 1 3.008 0.05 . 2 . . . . 99 H HB2 . 17283 1 876 . 1 1 99 99 HIS C C 13 174.378 0.11 . 1 . . . . 99 H C . 17283 1 877 . 1 1 99 99 HIS CA C 13 55.209 0.25 . 1 . . . . 99 H CA . 17283 1 878 . 1 1 99 99 HIS CB C 13 29.098 0.25 . 1 . . . . 99 H CB . 17283 1 879 . 1 1 99 99 HIS N N 15 118.817 0.14 . 1 . . . . 99 H N . 17283 1 880 . 1 1 100 100 TYR H H 1 8.291 0.01 . 1 . . . . 100 Y HN . 17283 1 881 . 1 1 100 100 TYR HA H 1 4.502 0.05 . 1 . . . . 100 Y HA . 17283 1 882 . 1 1 100 100 TYR HB2 H 1 3.004 0.05 . 2 . . . . 100 Y HB1 . 17283 1 883 . 1 1 100 100 TYR HB3 H 1 2.855 0.05 . 2 . . . . 100 Y HB2 . 17283 1 884 . 1 1 100 100 TYR HD1 H 1 7.030 0.05 . 3 . . . . 100 Y HD1 . 17283 1 885 . 1 1 100 100 TYR CA C 13 58.282 0.25 . 1 . . . . 100 Y CA . 17283 1 886 . 1 1 100 100 TYR CB C 13 38.835 0.25 . 1 . . . . 100 Y CB . 17283 1 887 . 1 1 100 100 TYR N N 15 121.686 0.14 . 1 . . . . 100 Y N . 17283 1 888 . 1 1 101 101 GLY H H 1 8.367 0.01 . 1 . . . . 101 G HN . 17283 1 889 . 1 1 101 101 GLY HA2 H 1 3.838 0.05 . 2 . . . . 101 G HA1 . 17283 1 890 . 1 1 101 101 GLY C C 13 173.794 0.11 . 1 . . . . 101 G C . 17283 1 891 . 1 1 101 101 GLY CA C 13 45.282 0.25 . 1 . . . . 101 G CA . 17283 1 892 . 1 1 101 101 GLY N N 15 111.203 0.14 . 1 . . . . 101 G N . 17283 1 893 . 1 1 102 102 ALA H H 1 8.116 0.01 . 1 . . . . 102 A HN . 17283 1 894 . 1 1 102 102 ALA HA H 1 4.289 0.05 . 1 . . . . 102 A HA . 17283 1 895 . 1 1 102 102 ALA HB1 H 1 1.357 0.05 . 1 . . . . 102 A HB1 . 17283 1 896 . 1 1 102 102 ALA HB2 H 1 1.357 0.05 . 1 . . . . 102 A HB2 . 17283 1 897 . 1 1 102 102 ALA HB3 H 1 1.357 0.05 . 1 . . . . 102 A HB3 . 17283 1 898 . 1 1 102 102 ALA C C 13 178.343 0.11 . 1 . . . . 102 A C . 17283 1 899 . 1 1 102 102 ALA CA C 13 53.395 0.25 . 1 . . . . 102 A CA . 17283 1 900 . 1 1 102 102 ALA CB C 13 19.413 0.25 . 1 . . . . 102 A CB . 17283 1 901 . 1 1 102 102 ALA N N 15 123.594 0.14 . 1 . . . . 102 A N . 17283 1 902 . 1 1 103 103 GLY H H 1 8.396 0.01 . 1 . . . . 103 G HN . 17283 1 903 . 1 1 103 103 GLY HA2 H 1 3.989 0.05 . 2 . . . . 103 G HA1 . 17283 1 904 . 1 1 103 103 GLY HA3 H 1 3.885 0.05 . 2 . . . . 103 G HA2 . 17283 1 905 . 1 1 103 103 GLY C C 13 173.819 0.11 . 1 . . . . 103 G C . 17283 1 906 . 1 1 103 103 GLY CA C 13 45.478 0.25 . 1 . . . . 103 G CA . 17283 1 907 . 1 1 103 103 GLY N N 15 108.333 0.14 . 1 . . . . 103 G N . 17283 1 908 . 1 1 104 104 ASP H H 1 8.209 0.01 . 1 . . . . 104 D HN . 17283 1 909 . 1 1 104 104 ASP HA H 1 4.619 0.05 . 1 . . . . 104 D HA . 17283 1 910 . 1 1 104 104 ASP HB2 H 1 2.636 0.05 . 2 . . . . 104 D HB1 . 17283 1 911 . 1 1 104 104 ASP C C 13 175.436 0.11 . 1 . . . . 104 D C . 17283 1 912 . 1 1 104 104 ASP CA C 13 54.639 0.25 . 1 . . . . 104 D CA . 17283 1 913 . 1 1 104 104 ASP CB C 13 41.554 0.25 . 1 . . . . 104 D CB . 17283 1 914 . 1 1 104 104 ASP N N 15 119.921 0.14 . 1 . . . . 104 D N . 17283 1 915 . 1 1 105 105 VAL H H 1 7.859 0.01 . 1 . . . . 105 V HN . 17283 1 916 . 1 1 105 105 VAL HA H 1 4.290 0.05 . 1 . . . . 105 V HA . 17283 1 917 . 1 1 105 105 VAL HB H 1 1.754 0.05 . 1 . . . . 105 V HB . 17283 1 918 . 1 1 105 105 VAL HG11 H 1 0.542 0.05 . 2 . . . . 105 V HG11 . 17283 1 919 . 1 1 105 105 VAL HG12 H 1 0.542 0.05 . 2 . . . . 105 V HG12 . 17283 1 920 . 1 1 105 105 VAL HG13 H 1 0.542 0.05 . 2 . . . . 105 V HG13 . 17283 1 921 . 1 1 105 105 VAL HG21 H 1 0.796 0.05 . 2 . . . . 105 V HG21 . 17283 1 922 . 1 1 105 105 VAL HG22 H 1 0.796 0.05 . 2 . . . . 105 V HG22 . 17283 1 923 . 1 1 105 105 VAL HG23 H 1 0.796 0.05 . 2 . . . . 105 V HG23 . 17283 1 924 . 1 1 105 105 VAL C C 13 175.051 0.11 . 1 . . . . 105 V C . 17283 1 925 . 1 1 105 105 VAL CA C 13 62.080 0.25 . 1 . . . . 105 V CA . 17283 1 926 . 1 1 105 105 VAL CB C 13 32.345 0.25 . 1 . . . . 105 V CB . 17283 1 927 . 1 1 105 105 VAL CG1 C 13 20.945 0.30 . 2 . . . . 105 V CG1 . 17283 1 928 . 1 1 105 105 VAL N N 15 119.304 0.14 . 1 . . . . 105 V N . 17283 1 929 . 1 1 106 106 ILE H H 1 8.348 0.01 . 1 . . . . 106 I HN . 17283 1 930 . 1 1 106 106 ILE HA H 1 4.472 0.05 . 1 . . . . 106 I HA . 17283 1 931 . 1 1 106 106 ILE HB H 1 1.773 0.05 . 1 . . . . 106 I HB . 17283 1 932 . 1 1 106 106 ILE HD11 H 1 0.820 0.05 . 1 . . . . 106 I HD11 . 17283 1 933 . 1 1 106 106 ILE HD12 H 1 0.820 0.05 . 1 . . . . 106 I HD12 . 17283 1 934 . 1 1 106 106 ILE HD13 H 1 0.820 0.05 . 1 . . . . 106 I HD13 . 17283 1 935 . 1 1 106 106 ILE HG12 H 1 1.362 0.05 . 2 . . . . 106 I HG11 . 17283 1 936 . 1 1 106 106 ILE HG21 H 1 1.050 0.05 . 1 . . . . 106 I HG21 . 17283 1 937 . 1 1 106 106 ILE HG22 H 1 1.050 0.05 . 1 . . . . 106 I HG22 . 17283 1 938 . 1 1 106 106 ILE HG23 H 1 1.050 0.05 . 1 . . . . 106 I HG23 . 17283 1 939 . 1 1 106 106 ILE CA C 13 59.648 0.25 . 1 . . . . 106 I CA . 17283 1 940 . 1 1 106 106 ILE CB C 13 40.374 0.25 . 1 . . . . 106 I CB . 17283 1 941 . 1 1 106 106 ILE CD1 C 13 13.456 0.30 . 1 . . . . 106 I CD1 . 17283 1 942 . 1 1 106 106 ILE CG1 C 13 26.849 0.30 . 1 . . . . 106 I CG1 . 17283 1 943 . 1 1 106 106 ILE CG2 C 13 17.829 0.30 . 1 . . . . 106 I CG2 . 17283 1 944 . 1 1 106 106 ILE N N 15 123.382 0.14 . 1 . . . . 106 I N . 17283 1 945 . 1 1 107 107 VAL H H 1 8.844 0.01 . 1 . . . . 107 V HN . 17283 1 946 . 1 1 107 107 VAL HA H 1 3.960 0.05 . 1 . . . . 107 V HA . 17283 1 947 . 1 1 107 107 VAL HB H 1 2.024 0.05 . 1 . . . . 107 V HB . 17283 1 948 . 1 1 107 107 VAL HG11 H 1 0.874 0.05 . 2 . . . . 107 V HG11 . 17283 1 949 . 1 1 107 107 VAL HG12 H 1 0.874 0.05 . 2 . . . . 107 V HG12 . 17283 1 950 . 1 1 107 107 VAL HG13 H 1 0.874 0.05 . 2 . . . . 107 V HG13 . 17283 1 951 . 1 1 107 107 VAL HG21 H 1 0.787 0.05 . 2 . . . . 107 V HG21 . 17283 1 952 . 1 1 107 107 VAL HG22 H 1 0.787 0.05 . 2 . . . . 107 V HG22 . 17283 1 953 . 1 1 107 107 VAL HG23 H 1 0.787 0.05 . 2 . . . . 107 V HG23 . 17283 1 954 . 1 1 107 107 VAL C C 13 174.115 0.11 . 1 . . . . 107 V C . 17283 1 955 . 1 1 107 107 VAL CA C 13 63.540 0.25 . 1 . . . . 107 V CA . 17283 1 956 . 1 1 107 107 VAL CB C 13 29.854 0.25 . 1 . . . . 107 V CB . 17283 1 957 . 1 1 107 107 VAL CG1 C 13 21.656 0.30 . 2 . . . . 107 V CG1 . 17283 1 958 . 1 1 107 107 VAL N N 15 125.829 0.14 . 1 . . . . 107 V N . 17283 1 959 . 1 1 108 108 TRP H H 1 9.152 0.01 . 1 . . . . 108 W HN . 17283 1 960 . 1 1 108 108 TRP HA H 1 4.394 0.05 . 1 . . . . 108 W HA . 17283 1 961 . 1 1 108 108 TRP HB2 H 1 3.068 0.05 . 2 . . . . 108 W HB1 . 17283 1 962 . 1 1 108 108 TRP HE3 H 1 7.330 0.05 . 1 . . . . 108 W HE3 . 17283 1 963 . 1 1 108 108 TRP HZ2 H 1 7.330 0.05 . 1 . . . . 108 W HZ2 . 17283 1 964 . 1 1 108 108 TRP C C 13 174.785 0.11 . 1 . . . . 108 W C . 17283 1 965 . 1 1 108 108 TRP CA C 13 61.288 0.25 . 1 . . . . 108 W CA . 17283 1 966 . 1 1 108 108 TRP CB C 13 31.222 0.25 . 1 . . . . 108 W CB . 17283 1 967 . 1 1 108 108 TRP N N 15 132.504 0.14 . 1 . . . . 108 W N . 17283 1 968 . 1 1 109 109 ASP H H 1 8.254 0.01 . 1 . . . . 109 D HN . 17283 1 969 . 1 1 109 109 ASP HA H 1 4.968 0.05 . 1 . . . . 109 D HA . 17283 1 970 . 1 1 109 109 ASP HB2 H 1 2.553 0.05 . 2 . . . . 109 D HB1 . 17283 1 971 . 1 1 109 109 ASP HB3 H 1 2.460 0.05 . 2 . . . . 109 D HB2 . 17283 1 972 . 1 1 109 109 ASP C C 13 174.015 0.11 . 1 . . . . 109 D C . 17283 1 973 . 1 1 109 109 ASP CA C 13 53.013 0.25 . 1 . . . . 109 D CA . 17283 1 974 . 1 1 109 109 ASP CB C 13 45.167 0.25 . 1 . . . . 109 D CB . 17283 1 975 . 1 1 109 109 ASP N N 15 111.513 0.14 . 1 . . . . 109 D N . 17283 1 976 . 1 1 110 110 ARG H H 1 8.122 0.01 . 1 . . . . 110 R HN . 17283 1 977 . 1 1 110 110 ARG HA H 1 4.294 0.05 . 1 . . . . 110 R HA . 17283 1 978 . 1 1 110 110 ARG HB2 H 1 1.791 0.05 . 2 . . . . 110 R HB1 . 17283 1 979 . 1 1 110 110 ARG HG2 H 1 1.484 0.05 . 2 . . . . 110 R HG1 . 17283 1 980 . 1 1 110 110 ARG C C 13 173.584 0.11 . 1 . . . . 110 R C . 17283 1 981 . 1 1 110 110 ARG CA C 13 54.393 0.25 . 1 . . . . 110 R CA . 17283 1 982 . 1 1 110 110 ARG CB C 13 31.785 0.25 . 1 . . . . 110 R CB . 17283 1 983 . 1 1 110 110 ARG CG C 13 25.482 0.30 . 1 . . . . 110 R CG . 17283 1 984 . 1 1 110 110 ARG N N 15 118.135 0.14 . 1 . . . . 110 R N . 17283 1 985 . 1 1 111 111 GLY H H 1 7.080 0.01 . 1 . . . . 111 G HN . 17283 1 986 . 1 1 111 111 GLY HA2 H 1 3.920 0.05 . 2 . . . . 111 G HA1 . 17283 1 987 . 1 1 111 111 GLY C C 13 171.699 0.11 . 1 . . . . 111 G C . 17283 1 988 . 1 1 111 111 GLY CA C 13 46.273 0.25 . 1 . . . . 111 G CA . 17283 1 989 . 1 1 111 111 GLY N N 15 106.527 0.14 . 1 . . . . 111 G N . 17283 1 990 . 1 1 112 112 ALA H H 1 8.649 0.01 . 1 . . . . 112 A HN . 17283 1 991 . 1 1 112 112 ALA HA H 1 5.888 0.05 . 1 . . . . 112 A HA . 17283 1 992 . 1 1 112 112 ALA HB1 H 1 1.522 0.05 . 1 . . . . 112 A HB1 . 17283 1 993 . 1 1 112 112 ALA HB2 H 1 1.522 0.05 . 1 . . . . 112 A HB2 . 17283 1 994 . 1 1 112 112 ALA HB3 H 1 1.522 0.05 . 1 . . . . 112 A HB3 . 17283 1 995 . 1 1 112 112 ALA C C 13 176.747 0.11 . 1 . . . . 112 A C . 17283 1 996 . 1 1 112 112 ALA CA C 13 50.437 0.25 . 1 . . . . 112 A CA . 17283 1 997 . 1 1 112 112 ALA CB C 13 23.134 0.25 . 1 . . . . 112 A CB . 17283 1 998 . 1 1 112 112 ALA N N 15 128.428 0.14 . 1 . . . . 112 A N . 17283 1 999 . 1 1 113 113 TRP H H 1 9.278 0.01 . 1 . . . . 113 W HN . 17283 1 1000 . 1 1 113 113 TRP HA H 1 5.856 0.05 . 1 . . . . 113 W HA . 17283 1 1001 . 1 1 113 113 TRP HB2 H 1 3.345 0.05 . 2 . . . . 113 W HB1 . 17283 1 1002 . 1 1 113 113 TRP HB3 H 1 2.580 0.05 . 2 . . . . 113 W HB2 . 17283 1 1003 . 1 1 113 113 TRP HD1 H 1 6.950 0.05 . 1 . . . . 113 W HD1 . 17283 1 1004 . 1 1 113 113 TRP HE1 H 1 10.653 0.05 . 1 . . . . 113 W HE1 . 17283 1 1005 . 1 1 113 113 TRP HE3 H 1 7.100 0.05 . 1 . . . . 113 W HE3 . 17283 1 1006 . 1 1 113 113 TRP HZ2 H 1 7.430 0.05 . 1 . . . . 113 W HZ2 . 17283 1 1007 . 1 1 113 113 TRP HZ3 H 1 6.800 0.05 . 1 . . . . 113 W HZ3 . 17283 1 1008 . 1 1 113 113 TRP C C 13 173.346 0.11 . 1 . . . . 113 W C . 17283 1 1009 . 1 1 113 113 TRP CA C 13 54.455 0.25 . 1 . . . . 113 W CA . 17283 1 1010 . 1 1 113 113 TRP CB C 13 33.119 0.25 . 1 . . . . 113 W CB . 17283 1 1011 . 1 1 113 113 TRP N N 15 122.160 0.14 . 1 . . . . 113 W N . 17283 1 1012 . 1 1 113 113 TRP NE1 N 15 131.730 0.14 . 1 . . . . 113 W NE1 . 17283 1 1013 . 1 1 114 114 THR H H 1 9.124 0.01 . 1 . . . . 114 T HN . 17283 1 1014 . 1 1 114 114 THR HB H 1 3.938 0.05 . 1 . . . . 114 T HB . 17283 1 1015 . 1 1 114 114 THR HG21 H 1 1.084 0.05 . 1 . . . . 114 T HG21 . 17283 1 1016 . 1 1 114 114 THR HG22 H 1 1.084 0.05 . 1 . . . . 114 T HG22 . 17283 1 1017 . 1 1 114 114 THR HG23 H 1 1.084 0.05 . 1 . . . . 114 T HG23 . 17283 1 1018 . 1 1 114 114 THR C C 13 172.408 0.11 . 1 . . . . 114 T C . 17283 1 1019 . 1 1 114 114 THR CA C 13 58.261 0.25 . 1 . . . . 114 T CA . 17283 1 1020 . 1 1 114 114 THR CB C 13 71.335 0.25 . 1 . . . . 114 T CB . 17283 1 1021 . 1 1 114 114 THR N N 15 115.735 0.14 . 1 . . . . 114 T N . 17283 1 1022 . 1 1 115 115 PRO HA H 1 4.760 0.05 . 1 . . . . 115 P HA . 17283 1 1023 . 1 1 115 115 PRO HB2 H 1 2.374 0.05 . 2 . . . . 115 P HB1 . 17283 1 1024 . 1 1 115 115 PRO HB3 H 1 2.310 0.05 . 2 . . . . 115 P HB2 . 17283 1 1025 . 1 1 115 115 PRO HD2 H 1 3.681 0.05 . 2 . . . . 115 P HD1 . 17283 1 1026 . 1 1 115 115 PRO C C 13 177.113 0.11 . 1 . . . . 115 P C . 17283 1 1027 . 1 1 115 115 PRO CA C 13 62.655 0.25 . 1 . . . . 115 P CA . 17283 1 1028 . 1 1 115 115 PRO CB C 13 32.042 0.25 . 1 . . . . 115 P CB . 17283 1 1029 . 1 1 115 115 PRO CG C 13 26.139 0.30 . 1 . . . . 115 P CG . 17283 1 1030 . 1 1 116 116 LEU H H 1 8.786 0.01 . 1 . . . . 116 L HN . 17283 1 1031 . 1 1 116 116 LEU HA H 1 4.433 0.05 . 1 . . . . 116 L HA . 17283 1 1032 . 1 1 116 116 LEU HB2 H 1 1.390 0.05 . 2 . . . . 116 L HB1 . 17283 1 1033 . 1 1 116 116 LEU HB3 H 1 1.491 0.05 . 2 . . . . 116 L HB2 . 17283 1 1034 . 1 1 116 116 LEU HD11 H 1 0.804 0.05 . 2 . . . . 116 L HD11 . 17283 1 1035 . 1 1 116 116 LEU HD12 H 1 0.804 0.05 . 2 . . . . 116 L HD12 . 17283 1 1036 . 1 1 116 116 LEU HD13 H 1 0.804 0.05 . 2 . . . . 116 L HD13 . 17283 1 1037 . 1 1 116 116 LEU HD21 H 1 0.804 0.05 . 2 . . . . 116 L HD21 . 17283 1 1038 . 1 1 116 116 LEU HD22 H 1 0.804 0.05 . 2 . . . . 116 L HD22 . 17283 1 1039 . 1 1 116 116 LEU HD23 H 1 0.804 0.05 . 2 . . . . 116 L HD23 . 17283 1 1040 . 1 1 116 116 LEU HG H 1 1.610 0.05 . 1 . . . . 116 L HG . 17283 1 1041 . 1 1 116 116 LEU C C 13 176.280 0.11 . 1 . . . . 116 L C . 17283 1 1042 . 1 1 116 116 LEU CA C 13 55.685 0.25 . 1 . . . . 116 L CA . 17283 1 1043 . 1 1 116 116 LEU CB C 13 41.310 0.25 . 1 . . . . 116 L CB . 17283 1 1044 . 1 1 116 116 LEU CD1 C 13 25.278 0.30 . 2 . . . . 116 L CD1 . 17283 1 1045 . 1 1 116 116 LEU CD2 C 13 22.698 0.30 . 2 . . . . 116 L CD2 . 17283 1 1046 . 1 1 116 116 LEU CG C 13 28.163 0.30 . 1 . . . . 116 L CG . 17283 1 1047 . 1 1 116 116 LEU N N 15 124.408 0.14 . 1 . . . . 116 L N . 17283 1 1048 . 1 1 117 117 ASP H H 1 7.892 0.01 . 1 . . . . 117 D HN . 17283 1 1049 . 1 1 117 117 ASP HA H 1 4.639 0.05 . 1 . . . . 117 D HA . 17283 1 1050 . 1 1 117 117 ASP HB2 H 1 2.859 0.05 . 2 . . . . 117 D HB1 . 17283 1 1051 . 1 1 117 117 ASP HB3 H 1 2.692 0.05 . 2 . . . . 117 D HB2 . 17283 1 1052 . 1 1 117 117 ASP C C 13 174.998 0.11 . 1 . . . . 117 D C . 17283 1 1053 . 1 1 117 117 ASP CA C 13 52.820 0.25 . 1 . . . . 117 D CA . 17283 1 1054 . 1 1 117 117 ASP CB C 13 43.199 0.25 . 1 . . . . 117 D CB . 17283 1 1055 . 1 1 117 117 ASP N N 15 118.070 0.14 . 1 . . . . 117 D N . 17283 1 1056 . 1 1 118 118 ASP H H 1 8.549 0.01 . 1 . . . . 118 D HN . 17283 1 1057 . 1 1 118 118 ASP HA H 1 4.538 0.05 . 1 . . . . 118 D HA . 17283 1 1058 . 1 1 118 118 ASP HB2 H 1 2.860 0.05 . 2 . . . . 118 D HB1 . 17283 1 1059 . 1 1 118 118 ASP HB3 H 1 2.750 0.05 . 2 . . . . 118 D HB2 . 17283 1 1060 . 1 1 118 118 ASP C C 13 177.024 0.11 . 1 . . . . 118 D C . 17283 1 1061 . 1 1 118 118 ASP CA C 13 52.363 0.25 . 1 . . . . 118 D CA . 17283 1 1062 . 1 1 118 118 ASP CB C 13 41.682 0.25 . 1 . . . . 118 D CB . 17283 1 1063 . 1 1 118 118 ASP N N 15 120.470 0.14 . 1 . . . . 118 D N . 17283 1 1064 . 1 1 119 119 PRO HA H 1 4.596 0.05 . 1 . . . . 119 P HA . 17283 1 1065 . 1 1 119 119 PRO HB2 H 1 2.210 0.05 . 2 . . . . 119 P HB1 . 17283 1 1066 . 1 1 119 119 PRO HD2 H 1 4.100 0.05 . 2 . . . . 119 P HD1 . 17283 1 1067 . 1 1 119 119 PRO HD3 H 1 3.930 0.05 . 2 . . . . 119 P HD2 . 17283 1 1068 . 1 1 119 119 PRO HG2 H 1 1.898 0.05 . 2 . . . . 119 P HG1 . 17283 1 1069 . 1 1 119 119 PRO C C 13 178.097 0.11 . 1 . . . . 119 P C . 17283 1 1070 . 1 1 119 119 PRO CA C 13 64.102 0.25 . 1 . . . . 119 P CA . 17283 1 1071 . 1 1 119 119 PRO CB C 13 31.554 0.25 . 1 . . . . 119 P CB . 17283 1 1072 . 1 1 120 120 ARG H H 1 7.936 0.01 . 1 . . . . 120 R HN . 17283 1 1073 . 1 1 120 120 ARG HA H 1 4.170 0.05 . 1 . . . . 120 R HA . 17283 1 1074 . 1 1 120 120 ARG HB2 H 1 1.725 0.05 . 2 . . . . 120 R HB1 . 17283 1 1075 . 1 1 120 120 ARG HB3 H 1 2.020 0.05 . 2 . . . . 120 R HB2 . 17283 1 1076 . 1 1 120 120 ARG HD2 H 1 3.314 0.05 . 2 . . . . 120 R HD1 . 17283 1 1077 . 1 1 120 120 ARG C C 13 179.928 0.11 . 1 . . . . 120 R C . 17283 1 1078 . 1 1 120 120 ARG CA C 13 59.409 0.25 . 1 . . . . 120 R CA . 17283 1 1079 . 1 1 120 120 ARG CB C 13 31.500 0.25 . 1 . . . . 120 R CB . 17283 1 1080 . 1 1 120 120 ARG CD C 13 43.023 0.30 . 1 . . . . 120 R CD . 17283 1 1081 . 1 1 120 120 ARG CG C 13 29.096 0.30 . 1 . . . . 120 R CG . 17283 1 1082 . 1 1 120 120 ARG N N 15 120.670 0.14 . 1 . . . . 120 R N . 17283 1 1083 . 1 1 121 121 GLU H H 1 8.022 0.01 . 1 . . . . 121 E HN . 17283 1 1084 . 1 1 121 121 GLU HA H 1 4.164 0.05 . 1 . . . . 121 E HA . 17283 1 1085 . 1 1 121 121 GLU HB2 H 1 2.036 0.05 . 2 . . . . 121 E HB1 . 17283 1 1086 . 1 1 121 121 GLU HG2 H 1 2.417 0.05 . 2 . . . . 121 E HG1 . 17283 1 1087 . 1 1 121 121 GLU HG3 H 1 2.256 0.05 . 2 . . . . 121 E HG2 . 17283 1 1088 . 1 1 121 121 GLU C C 13 179.195 0.11 . 1 . . . . 121 E C . 17283 1 1089 . 1 1 121 121 GLU CA C 13 59.149 0.25 . 1 . . . . 121 E CA . 17283 1 1090 . 1 1 121 121 GLU CB C 13 29.856 0.25 . 1 . . . . 121 E CB . 17283 1 1091 . 1 1 121 121 GLU CG C 13 36.494 0.30 . 1 . . . . 121 E CG . 17283 1 1092 . 1 1 121 121 GLU N N 15 121.269 0.14 . 1 . . . . 121 E N . 17283 1 1093 . 1 1 122 122 GLY H H 1 8.536 0.01 . 1 . . . . 122 G HN . 17283 1 1094 . 1 1 122 122 GLY HA2 H 1 3.963 0.05 . 2 . . . . 122 G HA1 . 17283 1 1095 . 1 1 122 122 GLY C C 13 176.579 0.11 . 1 . . . . 122 G C . 17283 1 1096 . 1 1 122 122 GLY CA C 13 47.798 0.25 . 1 . . . . 122 G CA . 17283 1 1097 . 1 1 122 122 GLY N N 15 107.584 0.14 . 1 . . . . 122 G N . 17283 1 1098 . 1 1 123 123 LEU H H 1 8.259 0.01 . 1 . . . . 123 L HN . 17283 1 1099 . 1 1 123 123 LEU HA H 1 4.429 0.05 . 1 . . . . 123 L HA . 17283 1 1100 . 1 1 123 123 LEU HB2 H 1 2.060 0.05 . 2 . . . . 123 L HB1 . 17283 1 1101 . 1 1 123 123 LEU HB3 H 1 1.803 0.05 . 2 . . . . 123 L HB2 . 17283 1 1102 . 1 1 123 123 LEU HD11 H 1 1.005 0.05 . 2 . . . . 123 L HD11 . 17283 1 1103 . 1 1 123 123 LEU HD12 H 1 1.005 0.05 . 2 . . . . 123 L HD12 . 17283 1 1104 . 1 1 123 123 LEU HD13 H 1 1.005 0.05 . 2 . . . . 123 L HD13 . 17283 1 1105 . 1 1 123 123 LEU HD21 H 1 1.005 0.05 . 2 . . . . 123 L HD21 . 17283 1 1106 . 1 1 123 123 LEU HD22 H 1 1.005 0.05 . 2 . . . . 123 L HD22 . 17283 1 1107 . 1 1 123 123 LEU HD23 H 1 1.005 0.05 . 2 . . . . 123 L HD23 . 17283 1 1108 . 1 1 123 123 LEU HG H 1 2.060 0.05 . 1 . . . . 123 L HG . 17283 1 1109 . 1 1 123 123 LEU C C 13 179.923 0.11 . 1 . . . . 123 L C . 17283 1 1110 . 1 1 123 123 LEU CA C 13 59.015 0.25 . 1 . . . . 123 L CA . 17283 1 1111 . 1 1 123 123 LEU CB C 13 42.155 0.25 . 1 . . . . 123 L CB . 17283 1 1112 . 1 1 123 123 LEU CD1 C 13 25.564 0.30 . 2 . . . . 123 L CD1 . 17283 1 1113 . 1 1 123 123 LEU CD2 C 13 24.361 0.30 . 2 . . . . 123 L CD2 . 17283 1 1114 . 1 1 123 123 LEU CG C 13 27.942 0.30 . 1 . . . . 123 L CG . 17283 1 1115 . 1 1 123 123 LEU N N 15 122.044 0.14 . 1 . . . . 123 L N . 17283 1 1116 . 1 1 124 124 GLU H H 1 7.658 0.01 . 1 . . . . 124 E HN . 17283 1 1117 . 1 1 124 124 GLU HA H 1 4.205 0.05 . 1 . . . . 124 E HA . 17283 1 1118 . 1 1 124 124 GLU HB2 H 1 2.237 0.05 . 2 . . . . 124 E HB1 . 17283 1 1119 . 1 1 124 124 GLU HG2 H 1 2.376 0.05 . 2 . . . . 124 E HG1 . 17283 1 1120 . 1 1 124 124 GLU C C 13 179.802 0.11 . 1 . . . . 124 E C . 17283 1 1121 . 1 1 124 124 GLU CA C 13 59.814 0.25 . 1 . . . . 124 E CA . 17283 1 1122 . 1 1 124 124 GLU CB C 13 29.814 0.25 . 1 . . . . 124 E CB . 17283 1 1123 . 1 1 124 124 GLU CG C 13 36.032 0.30 . 1 . . . . 124 E CG . 17283 1 1124 . 1 1 124 124 GLU N N 15 119.825 0.14 . 1 . . . . 124 E N . 17283 1 1125 . 1 1 125 125 LYS H H 1 8.765 0.01 . 1 . . . . 125 K HN . 17283 1 1126 . 1 1 125 125 LYS HA H 1 4.351 0.05 . 1 . . . . 125 K HA . 17283 1 1127 . 1 1 125 125 LYS HB2 H 1 1.990 0.05 . 2 . . . . 125 K HB1 . 17283 1 1128 . 1 1 125 125 LYS HB3 H 1 1.710 0.05 . 2 . . . . 125 K HB2 . 17283 1 1129 . 1 1 125 125 LYS HD2 H 1 1.982 0.05 . 2 . . . . 125 K HD1 . 17283 1 1130 . 1 1 125 125 LYS HG2 H 1 1.612 0.05 . 2 . . . . 125 K HG1 . 17283 1 1131 . 1 1 125 125 LYS C C 13 177.174 0.11 . 1 . . . . 125 K C . 17283 1 1132 . 1 1 125 125 LYS CA C 13 57.174 0.25 . 1 . . . . 125 K CA . 17283 1 1133 . 1 1 125 125 LYS CB C 13 32.589 0.25 . 1 . . . . 125 K CB . 17283 1 1134 . 1 1 125 125 LYS CD C 13 29.309 0.30 . 1 . . . . 125 K CD . 17283 1 1135 . 1 1 125 125 LYS CE C 13 42.702 0.30 . 1 . . . . 125 K CE . 17283 1 1136 . 1 1 125 125 LYS CG C 13 25.646 0.30 . 1 . . . . 125 K CG . 17283 1 1137 . 1 1 125 125 LYS N N 15 116.939 0.14 . 1 . . . . 125 K N . 17283 1 1138 . 1 1 126 126 GLY H H 1 7.959 0.01 . 1 . . . . 126 G HN . 17283 1 1139 . 1 1 126 126 GLY HA2 H 1 3.891 0.05 . 2 . . . . 126 G HA1 . 17283 1 1140 . 1 1 126 126 GLY HA3 H 1 3.460 0.05 . 2 . . . . 126 G HA2 . 17283 1 1141 . 1 1 126 126 GLY C C 13 174.136 0.11 . 1 . . . . 126 G C . 17283 1 1142 . 1 1 126 126 GLY CA C 13 46.727 0.25 . 1 . . . . 126 G CA . 17283 1 1143 . 1 1 126 126 GLY N N 15 108.119 0.14 . 1 . . . . 126 G N . 17283 1 1144 . 1 1 127 127 HIS H H 1 9.031 0.01 . 1 . . . . 127 H HN . 17283 1 1145 . 1 1 127 127 HIS HA H 1 5.537 0.05 . 1 . . . . 127 H HA . 17283 1 1146 . 1 1 127 127 HIS HB2 H 1 3.135 0.05 . 2 . . . . 127 H HB1 . 17283 1 1147 . 1 1 127 127 HIS HD2 H 1 6.970 0.05 . 1 . . . . 127 H HD2 . 17283 1 1148 . 1 1 127 127 HIS C C 13 172.325 0.11 . 1 . . . . 127 H C . 17283 1 1149 . 1 1 127 127 HIS CA C 13 55.548 0.25 . 1 . . . . 127 H CA . 17283 1 1150 . 1 1 127 127 HIS CB C 13 30.578 0.25 . 1 . . . . 127 H CB . 17283 1 1151 . 1 1 127 127 HIS N N 15 120.649 0.14 . 1 . . . . 127 H N . 17283 1 1152 . 1 1 128 128 LEU H H 1 9.599 0.01 . 1 . . . . 128 L HN . 17283 1 1153 . 1 1 128 128 LEU HA H 1 5.028 0.05 . 1 . . . . 128 L HA . 17283 1 1154 . 1 1 128 128 LEU HB2 H 1 1.828 0.05 . 2 . . . . 128 L HB1 . 17283 1 1155 . 1 1 128 128 LEU HB3 H 1 1.543 0.05 . 2 . . . . 128 L HB2 . 17283 1 1156 . 1 1 128 128 LEU HD11 H 1 1.040 0.05 . 2 . . . . 128 L HD11 . 17283 1 1157 . 1 1 128 128 LEU HD12 H 1 1.040 0.05 . 2 . . . . 128 L HD12 . 17283 1 1158 . 1 1 128 128 LEU HD13 H 1 1.040 0.05 . 2 . . . . 128 L HD13 . 17283 1 1159 . 1 1 128 128 LEU HD21 H 1 0.859 0.05 . 2 . . . . 128 L HD21 . 17283 1 1160 . 1 1 128 128 LEU HD22 H 1 0.859 0.05 . 2 . . . . 128 L HD22 . 17283 1 1161 . 1 1 128 128 LEU HD23 H 1 0.859 0.05 . 2 . . . . 128 L HD23 . 17283 1 1162 . 1 1 128 128 LEU HG H 1 1.670 0.05 . 1 . . . . 128 L HG . 17283 1 1163 . 1 1 128 128 LEU C C 13 174.827 0.11 . 1 . . . . 128 L C . 17283 1 1164 . 1 1 128 128 LEU CA C 13 54.208 0.25 . 1 . . . . 128 L CA . 17283 1 1165 . 1 1 128 128 LEU CB C 13 46.030 0.25 . 1 . . . . 128 L CB . 17283 1 1166 . 1 1 128 128 LEU CD1 C 13 25.348 0.30 . 2 . . . . 128 L CD1 . 17283 1 1167 . 1 1 128 128 LEU CD2 C 13 24.909 0.30 . 2 . . . . 128 L CD2 . 17283 1 1168 . 1 1 128 128 LEU CG C 13 27.942 0.30 . 1 . . . . 128 L CG . 17283 1 1169 . 1 1 128 128 LEU N N 15 129.433 0.14 . 1 . . . . 128 L N . 17283 1 1170 . 1 1 129 129 SER H H 1 9.015 0.01 . 1 . . . . 129 S HN . 17283 1 1171 . 1 1 129 129 SER HA H 1 5.280 0.05 . 1 . . . . 129 S HA . 17283 1 1172 . 1 1 129 129 SER HB2 H 1 3.681 0.05 . 2 . . . . 129 S HB1 . 17283 1 1173 . 1 1 129 129 SER HB3 H 1 3.833 0.05 . 2 . . . . 129 S HB2 . 17283 1 1174 . 1 1 129 129 SER C C 13 174.606 0.11 . 1 . . . . 129 S C . 17283 1 1175 . 1 1 129 129 SER CA C 13 56.291 0.25 . 1 . . . . 129 S CA . 17283 1 1176 . 1 1 129 129 SER CB C 13 63.733 0.25 . 1 . . . . 129 S CB . 17283 1 1177 . 1 1 129 129 SER N N 15 121.827 0.14 . 1 . . . . 129 S N . 17283 1 1178 . 1 1 130 130 PHE H H 1 8.362 0.01 . 1 . . . . 130 F HN . 17283 1 1179 . 1 1 130 130 PHE HA H 1 5.508 0.05 . 1 . . . . 130 F HA . 17283 1 1180 . 1 1 130 130 PHE HB2 H 1 3.545 0.05 . 2 . . . . 130 F HB1 . 17283 1 1181 . 1 1 130 130 PHE HB3 H 1 3.355 0.05 . 2 . . . . 130 F HB2 . 17283 1 1182 . 1 1 130 130 PHE HD1 H 1 6.680 0.05 . 3 . . . . 130 F HD1 . 17283 1 1183 . 1 1 130 130 PHE HE1 H 1 6.960 0.05 . 3 . . . . 130 F HE1 . 17283 1 1184 . 1 1 130 130 PHE HE2 H 1 6.860 0.05 . 3 . . . . 130 F HE2 . 17283 1 1185 . 1 1 130 130 PHE C C 13 171.457 0.11 . 1 . . . . 130 F C . 17283 1 1186 . 1 1 130 130 PHE CA C 13 56.338 0.25 . 1 . . . . 130 F CA . 17283 1 1187 . 1 1 130 130 PHE CB C 13 42.161 0.25 . 1 . . . . 130 F CB . 17283 1 1188 . 1 1 130 130 PHE N N 15 121.807 0.14 . 1 . . . . 130 F N . 17283 1 1189 . 1 1 131 131 ALA H H 1 8.967 0.01 . 1 . . . . 131 A HN . 17283 1 1190 . 1 1 131 131 ALA HA H 1 5.483 0.05 . 1 . . . . 131 A HA . 17283 1 1191 . 1 1 131 131 ALA HB1 H 1 1.400 0.05 . 1 . . . . 131 A HB1 . 17283 1 1192 . 1 1 131 131 ALA HB2 H 1 1.400 0.05 . 1 . . . . 131 A HB2 . 17283 1 1193 . 1 1 131 131 ALA HB3 H 1 1.400 0.05 . 1 . . . . 131 A HB3 . 17283 1 1194 . 1 1 131 131 ALA C C 13 177.033 0.11 . 1 . . . . 131 A C . 17283 1 1195 . 1 1 131 131 ALA CA C 13 49.465 0.25 . 1 . . . . 131 A CA . 17283 1 1196 . 1 1 131 131 ALA CB C 13 22.047 0.25 . 1 . . . . 131 A CB . 17283 1 1197 . 1 1 131 131 ALA N N 15 121.531 0.14 . 1 . . . . 131 A N . 17283 1 1198 . 1 1 132 132 LEU H H 1 8.798 0.01 . 1 . . . . 132 L HN . 17283 1 1199 . 1 1 132 132 LEU HA H 1 5.027 0.05 . 1 . . . . 132 L HA . 17283 1 1200 . 1 1 132 132 LEU HB2 H 1 1.321 0.05 . 2 . . . . 132 L HB1 . 17283 1 1201 . 1 1 132 132 LEU HD11 H 1 0.028 0.05 . 2 . . . . 132 L HD11 . 17283 1 1202 . 1 1 132 132 LEU HD12 H 1 0.028 0.05 . 2 . . . . 132 L HD12 . 17283 1 1203 . 1 1 132 132 LEU HD13 H 1 0.028 0.05 . 2 . . . . 132 L HD13 . 17283 1 1204 . 1 1 132 132 LEU HD21 H 1 -0.300 0.05 . 2 . . . . 132 L HD21 . 17283 1 1205 . 1 1 132 132 LEU HD22 H 1 -0.300 0.05 . 2 . . . . 132 L HD22 . 17283 1 1206 . 1 1 132 132 LEU HD23 H 1 -0.300 0.05 . 2 . . . . 132 L HD23 . 17283 1 1207 . 1 1 132 132 LEU C C 13 176.438 0.11 . 1 . . . . 132 L C . 17283 1 1208 . 1 1 132 132 LEU CA C 13 53.102 0.25 . 1 . . . . 132 L CA . 17283 1 1209 . 1 1 132 132 LEU CB C 13 42.568 0.25 . 1 . . . . 132 L CB . 17283 1 1210 . 1 1 132 132 LEU N N 15 119.350 0.14 . 1 . . . . 132 L N . 17283 1 1211 . 1 1 133 133 ASP H H 1 8.777 0.01 . 1 . . . . 133 D HN . 17283 1 1212 . 1 1 133 133 ASP HA H 1 5.152 0.05 . 1 . . . . 133 D HA . 17283 1 1213 . 1 1 133 133 ASP HB2 H 1 2.878 0.05 . 2 . . . . 133 D HB1 . 17283 1 1214 . 1 1 133 133 ASP HB3 H 1 2.606 0.05 . 2 . . . . 133 D HB2 . 17283 1 1215 . 1 1 133 133 ASP C C 13 175.639 0.11 . 1 . . . . 133 D C . 17283 1 1216 . 1 1 133 133 ASP CA C 13 53.619 0.25 . 1 . . . . 133 D CA . 17283 1 1217 . 1 1 133 133 ASP CB C 13 42.134 0.25 . 1 . . . . 133 D CB . 17283 1 1218 . 1 1 133 133 ASP N N 15 121.596 0.14 . 1 . . . . 133 D N . 17283 1 1219 . 1 1 134 134 GLY H H 1 8.132 0.01 . 1 . . . . 134 G HN . 17283 1 1220 . 1 1 134 134 GLY HA2 H 1 4.904 0.05 . 2 . . . . 134 G HA1 . 17283 1 1221 . 1 1 134 134 GLY HA3 H 1 4.614 0.05 . 2 . . . . 134 G HA2 . 17283 1 1222 . 1 1 134 134 GLY C C 13 174.308 0.11 . 1 . . . . 134 G C . 17283 1 1223 . 1 1 134 134 GLY CA C 13 45.822 0.25 . 1 . . . . 134 G CA . 17283 1 1224 . 1 1 134 134 GLY N N 15 114.723 0.14 . 1 . . . . 134 G N . 17283 1 1225 . 1 1 135 135 GLU H H 1 8.612 0.01 . 1 . . . . 135 E HN . 17283 1 1226 . 1 1 135 135 GLU HA H 1 4.270 0.05 . 1 . . . . 135 E HA . 17283 1 1227 . 1 1 135 135 GLU HB2 H 1 2.178 0.05 . 2 . . . . 135 E HB1 . 17283 1 1228 . 1 1 135 135 GLU HG2 H 1 2.388 0.05 . 2 . . . . 135 E HG1 . 17283 1 1229 . 1 1 135 135 GLU C C 13 178.614 0.11 . 1 . . . . 135 E C . 17283 1 1230 . 1 1 135 135 GLU CA C 13 58.271 0.25 . 1 . . . . 135 E CA . 17283 1 1231 . 1 1 135 135 GLU CB C 13 29.937 0.25 . 1 . . . . 135 E CB . 17283 1 1232 . 1 1 135 135 GLU CG C 13 36.704 0.30 . 1 . . . . 135 E CG . 17283 1 1233 . 1 1 135 135 GLU N N 15 121.888 0.14 . 1 . . . . 135 E N . 17283 1 1234 . 1 1 136 136 LYS H H 1 8.908 0.01 . 1 . . . . 136 K HN . 17283 1 1235 . 1 1 136 136 LYS HA H 1 4.367 0.05 . 1 . . . . 136 K HA . 17283 1 1236 . 1 1 136 136 LYS HB2 H 1 1.568 0.05 . 2 . . . . 136 K HB1 . 17283 1 1237 . 1 1 136 136 LYS HB3 H 1 1.300 0.05 . 2 . . . . 136 K HB2 . 17283 1 1238 . 1 1 136 136 LYS HG2 H 1 1.014 0.05 . 2 . . . . 136 K HG1 . 17283 1 1239 . 1 1 136 136 LYS C C 13 177.373 0.11 . 1 . . . . 136 K C . 17283 1 1240 . 1 1 136 136 LYS CA C 13 57.188 0.25 . 1 . . . . 136 K CA . 17283 1 1241 . 1 1 136 136 LYS CB C 13 33.977 0.25 . 1 . . . . 136 K CB . 17283 1 1242 . 1 1 136 136 LYS CD C 13 28.216 0.30 . 1 . . . . 136 K CD . 17283 1 1243 . 1 1 136 136 LYS CG C 13 25.533 0.30 . 1 . . . . 136 K CG . 17283 1 1244 . 1 1 136 136 LYS N N 15 116.330 0.14 . 1 . . . . 136 K N . 17283 1 1245 . 1 1 137 137 LEU H H 1 7.873 0.01 . 1 . . . . 137 L HN . 17283 1 1246 . 1 1 137 137 LEU HA H 1 4.733 0.05 . 1 . . . . 137 L HA . 17283 1 1247 . 1 1 137 137 LEU HB2 H 1 1.510 0.05 . 2 . . . . 137 L HB1 . 17283 1 1248 . 1 1 137 137 LEU HD11 H 1 1.081 0.05 . 2 . . . . 137 L HD11 . 17283 1 1249 . 1 1 137 137 LEU HD12 H 1 1.081 0.05 . 2 . . . . 137 L HD12 . 17283 1 1250 . 1 1 137 137 LEU HD13 H 1 1.081 0.05 . 2 . . . . 137 L HD13 . 17283 1 1251 . 1 1 137 137 LEU HD21 H 1 0.674 0.05 . 2 . . . . 137 L HD21 . 17283 1 1252 . 1 1 137 137 LEU HD22 H 1 0.674 0.05 . 2 . . . . 137 L HD22 . 17283 1 1253 . 1 1 137 137 LEU HD23 H 1 0.674 0.05 . 2 . . . . 137 L HD23 . 17283 1 1254 . 1 1 137 137 LEU C C 13 174.146 0.11 . 1 . . . . 137 L C . 17283 1 1255 . 1 1 137 137 LEU CA C 13 54.182 0.25 . 1 . . . . 137 L CA . 17283 1 1256 . 1 1 137 137 LEU CB C 13 42.702 0.25 . 1 . . . . 137 L CB . 17283 1 1257 . 1 1 137 137 LEU CD1 C 13 25.436 0.30 . 2 . . . . 137 L CD1 . 17283 1 1258 . 1 1 137 137 LEU CD2 C 13 22.203 0.30 . 2 . . . . 137 L CD2 . 17283 1 1259 . 1 1 137 137 LEU CG C 13 25.436 0.30 . 1 . . . . 137 L CG . 17283 1 1260 . 1 1 137 137 LEU N N 15 117.611 0.14 . 1 . . . . 137 L N . 17283 1 1261 . 1 1 138 138 SER H H 1 7.345 0.01 . 1 . . . . 138 S HN . 17283 1 1262 . 1 1 138 138 SER HA H 1 5.020 0.05 . 1 . . . . 138 S HA . 17283 1 1263 . 1 1 138 138 SER HB2 H 1 3.964 0.05 . 2 . . . . 138 S HB1 . 17283 1 1264 . 1 1 138 138 SER C C 13 175.405 0.11 . 1 . . . . 138 S C . 17283 1 1265 . 1 1 138 138 SER CA C 13 58.282 0.25 . 1 . . . . 138 S CA . 17283 1 1266 . 1 1 138 138 SER CB C 13 65.071 0.25 . 1 . . . . 138 S CB . 17283 1 1267 . 1 1 138 138 SER N N 15 111.020 0.14 . 1 . . . . 138 S N . 17283 1 1268 . 1 1 139 139 GLY H H 1 8.340 0.01 . 1 . . . . 139 G HN . 17283 1 1269 . 1 1 139 139 GLY HA2 H 1 4.025 0.05 . 2 . . . . 139 G HA1 . 17283 1 1270 . 1 1 139 139 GLY C C 13 172.579 0.11 . 1 . . . . 139 G C . 17283 1 1271 . 1 1 139 139 GLY CA C 13 44.119 0.25 . 1 . . . . 139 G CA . 17283 1 1272 . 1 1 139 139 GLY N N 15 106.789 0.14 . 1 . . . . 139 G N . 17283 1 1273 . 1 1 140 140 ARG H H 1 8.863 0.01 . 1 . . . . 140 R HN . 17283 1 1274 . 1 1 140 140 ARG HA H 1 5.130 0.05 . 1 . . . . 140 R HA . 17283 1 1275 . 1 1 140 140 ARG HB2 H 1 1.530 0.05 . 2 . . . . 140 R HB1 . 17283 1 1276 . 1 1 140 140 ARG HB3 H 1 1.200 0.05 . 2 . . . . 140 R HB2 . 17283 1 1277 . 1 1 140 140 ARG HG2 H 1 1.530 0.05 . 2 . . . . 140 R HG1 . 17283 1 1278 . 1 1 140 140 ARG C C 13 177.031 0.11 . 1 . . . . 140 R C . 17283 1 1279 . 1 1 140 140 ARG CA C 13 55.874 0.25 . 1 . . . . 140 R CA . 17283 1 1280 . 1 1 140 140 ARG CB C 13 30.566 0.25 . 1 . . . . 140 R CB . 17283 1 1281 . 1 1 140 140 ARG N N 15 117.291 0.14 . 1 . . . . 140 R N . 17283 1 1282 . 1 1 141 141 TRP H H 1 8.944 0.01 . 1 . . . . 141 W HN . 17283 1 1283 . 1 1 141 141 TRP HA H 1 4.497 0.05 . 1 . . . . 141 W HA . 17283 1 1284 . 1 1 141 141 TRP HB2 H 1 3.080 0.05 . 2 . . . . 141 W HB1 . 17283 1 1285 . 1 1 141 141 TRP HD1 H 1 7.000 0.05 . 1 . . . . 141 W HD1 . 17283 1 1286 . 1 1 141 141 TRP HE3 H 1 7.000 0.05 . 1 . . . . 141 W HE3 . 17283 1 1287 . 1 1 141 141 TRP HZ2 H 1 6.700 0.05 . 1 . . . . 141 W HZ2 . 17283 1 1288 . 1 1 141 141 TRP C C 13 173.811 0.11 . 1 . . . . 141 W C . 17283 1 1289 . 1 1 141 141 TRP CA C 13 57.767 0.25 . 1 . . . . 141 W CA . 17283 1 1290 . 1 1 141 141 TRP CB C 13 35.087 0.25 . 1 . . . . 141 W CB . 17283 1 1291 . 1 1 141 141 TRP N N 15 122.429 0.14 . 1 . . . . 141 W N . 17283 1 1292 . 1 1 142 142 HIS H H 1 9.192 0.01 . 1 . . . . 142 H HN . 17283 1 1293 . 1 1 142 142 HIS HA H 1 5.450 0.05 . 1 . . . . 142 H HA . 17283 1 1294 . 1 1 142 142 HIS HB2 H 1 2.837 0.05 . 2 . . . . 142 H HB1 . 17283 1 1295 . 1 1 142 142 HIS HD2 H 1 6.990 0.05 . 1 . . . . 142 H HD2 . 17283 1 1296 . 1 1 142 142 HIS C C 13 174.415 0.11 . 1 . . . . 142 H C . 17283 1 1297 . 1 1 142 142 HIS CA C 13 54.715 0.25 . 1 . . . . 142 H CA . 17283 1 1298 . 1 1 142 142 HIS CB C 13 34.549 0.25 . 1 . . . . 142 H CB . 17283 1 1299 . 1 1 142 142 HIS N N 15 116.496 0.14 . 1 . . . . 142 H N . 17283 1 1300 . 1 1 143 143 LEU H H 1 9.151 0.01 . 1 . . . . 143 L HN . 17283 1 1301 . 1 1 143 143 LEU HA H 1 5.441 0.05 . 1 . . . . 143 L HA . 17283 1 1302 . 1 1 143 143 LEU HB2 H 1 1.381 0.05 . 2 . . . . 143 L HB1 . 17283 1 1303 . 1 1 143 143 LEU HD11 H 1 -0.468 0.05 . 2 . . . . 143 L HD11 . 17283 1 1304 . 1 1 143 143 LEU HD12 H 1 -0.468 0.05 . 2 . . . . 143 L HD12 . 17283 1 1305 . 1 1 143 143 LEU HD13 H 1 -0.468 0.05 . 2 . . . . 143 L HD13 . 17283 1 1306 . 1 1 143 143 LEU HD21 H 1 -0.717 0.05 . 2 . . . . 143 L HD21 . 17283 1 1307 . 1 1 143 143 LEU HD22 H 1 -0.717 0.05 . 2 . . . . 143 L HD22 . 17283 1 1308 . 1 1 143 143 LEU HD23 H 1 -0.717 0.05 . 2 . . . . 143 L HD23 . 17283 1 1309 . 1 1 143 143 LEU C C 13 176.360 0.11 . 1 . . . . 143 L C . 17283 1 1310 . 1 1 143 143 LEU CA C 13 53.936 0.25 . 1 . . . . 143 L CA . 17283 1 1311 . 1 1 143 143 LEU CB C 13 44.313 0.25 . 1 . . . . 143 L CB . 17283 1 1312 . 1 1 143 143 LEU CD1 C 13 23.296 0.30 . 2 . . . . 143 L CD1 . 17283 1 1313 . 1 1 143 143 LEU CD2 C 13 23.296 0.30 . 2 . . . . 143 L CD2 . 17283 1 1314 . 1 1 143 143 LEU N N 15 124.715 0.14 . 1 . . . . 143 L N . 17283 1 1315 . 1 1 144 144 ILE H H 1 9.145 0.01 . 1 . . . . 144 I HN . 17283 1 1316 . 1 1 144 144 ILE HA H 1 4.775 0.05 . 1 . . . . 144 I HA . 17283 1 1317 . 1 1 144 144 ILE HB H 1 1.431 0.05 . 1 . . . . 144 I HB . 17283 1 1318 . 1 1 144 144 ILE HD11 H 1 0.601 0.05 . 1 . . . . 144 I HD11 . 17283 1 1319 . 1 1 144 144 ILE HD12 H 1 0.601 0.05 . 1 . . . . 144 I HD12 . 17283 1 1320 . 1 1 144 144 ILE HD13 H 1 0.601 0.05 . 1 . . . . 144 I HD13 . 17283 1 1321 . 1 1 144 144 ILE HG12 H 1 1.392 0.05 . 2 . . . . 144 I HG11 . 17283 1 1322 . 1 1 144 144 ILE HG21 H 1 0.777 0.05 . 1 . . . . 144 I HG21 . 17283 1 1323 . 1 1 144 144 ILE HG22 H 1 0.777 0.05 . 1 . . . . 144 I HG22 . 17283 1 1324 . 1 1 144 144 ILE HG23 H 1 0.777 0.05 . 1 . . . . 144 I HG23 . 17283 1 1325 . 1 1 144 144 ILE C C 13 174.290 0.11 . 1 . . . . 144 I C . 17283 1 1326 . 1 1 144 144 ILE CA C 13 59.133 0.25 . 1 . . . . 144 I CA . 17283 1 1327 . 1 1 144 144 ILE CB C 13 41.882 0.25 . 1 . . . . 144 I CB . 17283 1 1328 . 1 1 144 144 ILE CD1 C 13 13.456 0.30 . 1 . . . . 144 I CD1 . 17283 1 1329 . 1 1 144 144 ILE CG1 C 13 27.930 0.30 . 1 . . . . 144 I CG1 . 17283 1 1330 . 1 1 144 144 ILE CG2 C 13 17.283 0.30 . 1 . . . . 144 I CG2 . 17283 1 1331 . 1 1 144 144 ILE N N 15 123.714 0.14 . 1 . . . . 144 I N . 17283 1 1332 . 1 1 145 145 ARG H H 1 8.574 0.01 . 1 . . . . 145 R HN . 17283 1 1333 . 1 1 145 145 ARG HA H 1 4.466 0.05 . 1 . . . . 145 R HA . 17283 1 1334 . 1 1 145 145 ARG HD2 H 1 3.160 0.05 . 2 . . . . 145 R HD1 . 17283 1 1335 . 1 1 145 145 ARG HG2 H 1 1.296 0.05 . 2 . . . . 145 R HG1 . 17283 1 1336 . 1 1 145 145 ARG HG3 H 1 1.600 0.05 . 2 . . . . 145 R HG2 . 17283 1 1337 . 1 1 145 145 ARG C C 13 176.224 0.11 . 1 . . . . 145 R C . 17283 1 1338 . 1 1 145 145 ARG CA C 13 56.348 0.25 . 1 . . . . 145 R CA . 17283 1 1339 . 1 1 145 145 ARG CB C 13 29.982 0.25 . 1 . . . . 145 R CB . 17283 1 1340 . 1 1 145 145 ARG N N 15 131.499 0.14 . 1 . . . . 145 R N . 17283 1 1341 . 1 1 146 146 THR H H 1 8.883 0.01 . 1 . . . . 146 T HN . 17283 1 1342 . 1 1 146 146 THR HA H 1 4.193 0.05 . 1 . . . . 146 T HA . 17283 1 1343 . 1 1 146 146 THR HB H 1 3.961 0.05 . 1 . . . . 146 T HB . 17283 1 1344 . 1 1 146 146 THR HG21 H 1 0.941 0.05 . 1 . . . . 146 T HG21 . 17283 1 1345 . 1 1 146 146 THR HG22 H 1 0.941 0.05 . 1 . . . . 146 T HG22 . 17283 1 1346 . 1 1 146 146 THR HG23 H 1 0.941 0.05 . 1 . . . . 146 T HG23 . 17283 1 1347 . 1 1 146 146 THR C C 13 174.380 0.11 . 1 . . . . 146 T C . 17283 1 1348 . 1 1 146 146 THR CA C 13 62.106 0.25 . 1 . . . . 146 T CA . 17283 1 1349 . 1 1 146 146 THR CB C 13 69.968 0.25 . 1 . . . . 146 T CB . 17283 1 1350 . 1 1 146 146 THR CG2 C 13 21.559 0.30 . 1 . . . . 146 T CG2 . 17283 1 1351 . 1 1 146 146 THR N N 15 119.151 0.14 . 1 . . . . 146 T N . 17283 1 1352 . 1 1 147 147 ASN H H 1 8.046 0.01 . 1 . . . . 147 N HN . 17283 1 1353 . 1 1 147 147 ASN HA H 1 4.767 0.05 . 1 . . . . 147 N HA . 17283 1 1354 . 1 1 147 147 ASN HB2 H 1 2.750 0.05 . 2 . . . . 147 N HB1 . 17283 1 1355 . 1 1 147 147 ASN HD21 H 1 7.487 0.05 . 2 . . . . 147 N HD21 . 17283 1 1356 . 1 1 147 147 ASN HD22 H 1 6.855 0.05 . 2 . . . . 147 N HD22 . 17283 1 1357 . 1 1 147 147 ASN C C 13 174.230 0.11 . 1 . . . . 147 N C . 17283 1 1358 . 1 1 147 147 ASN CA C 13 53.635 0.25 . 1 . . . . 147 N CA . 17283 1 1359 . 1 1 147 147 ASN CB C 13 40.242 0.25 . 1 . . . . 147 N CB . 17283 1 1360 . 1 1 147 147 ASN N N 15 119.704 0.14 . 1 . . . . 147 N N . 17283 1 1361 . 1 1 147 147 ASN ND2 N 15 112.420 0.14 . 1 . . . . 147 N ND2 . 17283 1 1362 . 1 1 148 148 LEU H H 1 8.065 0.01 . 1 . . . . 148 L HN . 17283 1 1363 . 1 1 148 148 LEU HB2 H 1 1.570 0.05 . 2 . . . . 148 L HB1 . 17283 1 1364 . 1 1 148 148 LEU HB3 H 1 1.550 0.05 . 2 . . . . 148 L HB2 . 17283 1 1365 . 1 1 148 148 LEU HD11 H 1 0.865 0.05 . 2 . . . . 148 L HD11 . 17283 1 1366 . 1 1 148 148 LEU HD12 H 1 0.865 0.05 . 2 . . . . 148 L HD12 . 17283 1 1367 . 1 1 148 148 LEU HD13 H 1 0.865 0.05 . 2 . . . . 148 L HD13 . 17283 1 1368 . 1 1 148 148 LEU C C 13 176.299 0.11 . 1 . . . . 148 L C . 17283 1 1369 . 1 1 148 148 LEU CA C 13 55.174 0.25 . 1 . . . . 148 L CA . 17283 1 1370 . 1 1 148 148 LEU CB C 13 41.188 0.25 . 1 . . . . 148 L CB . 17283 1 1371 . 1 1 148 148 LEU N N 15 121.415 0.14 . 1 . . . . 148 L N . 17283 1 1372 . 1 1 149 149 ARG HA H 1 4.338 0.05 . 1 . . . . 149 R HA . 17283 1 1373 . 1 1 149 149 ARG HB2 H 1 1.831 0.05 . 2 . . . . 149 R HB1 . 17283 1 1374 . 1 1 149 149 ARG HB3 H 1 1.685 0.05 . 2 . . . . 149 R HB2 . 17283 1 1375 . 1 1 149 149 ARG HD2 H 1 3.196 0.05 . 2 . . . . 149 R HD1 . 17283 1 1376 . 1 1 149 149 ARG HG2 H 1 1.575 0.05 . 2 . . . . 149 R HG1 . 17283 1 1377 . 1 1 149 149 ARG C C 13 176.424 0.11 . 1 . . . . 149 R C . 17283 1 1378 . 1 1 149 149 ARG CA C 13 56.285 0.25 . 1 . . . . 149 R CA . 17283 1 1379 . 1 1 149 149 ARG CB C 13 31.477 0.25 . 1 . . . . 149 R CB . 17283 1 1380 . 1 1 149 149 ARG CD C 13 43.567 0.30 . 1 . . . . 149 R CD . 17283 1 1381 . 1 1 149 149 ARG CG C 13 27.265 0.30 . 1 . . . . 149 R CG . 17283 1 1382 . 1 1 150 150 GLY H H 1 8.629 0.01 . 1 . . . . 150 G HN . 17283 1 1383 . 1 1 150 150 GLY HA2 H 1 4.096 0.05 . 2 . . . . 150 G HA1 . 17283 1 1384 . 1 1 150 150 GLY HA3 H 1 3.833 0.05 . 2 . . . . 150 G HA2 . 17283 1 1385 . 1 1 150 150 GLY C C 13 174.330 0.11 . 1 . . . . 150 G C . 17283 1 1386 . 1 1 150 150 GLY CA C 13 45.537 0.25 . 1 . . . . 150 G CA . 17283 1 1387 . 1 1 150 150 GLY N N 15 111.337 0.14 . 1 . . . . 150 G N . 17283 1 1388 . 1 1 151 151 LYS H H 1 8.335 0.01 . 1 . . . . 151 K HN . 17283 1 1389 . 1 1 151 151 LYS HA H 1 4.144 0.05 . 1 . . . . 151 K HA . 17283 1 1390 . 1 1 151 151 LYS HB2 H 1 1.869 0.05 . 2 . . . . 151 K HB1 . 17283 1 1391 . 1 1 151 151 LYS HB3 H 1 1.713 0.05 . 2 . . . . 151 K HB2 . 17283 1 1392 . 1 1 151 151 LYS HD2 H 1 1.730 0.05 . 2 . . . . 151 K HD1 . 17283 1 1393 . 1 1 151 151 LYS HG2 H 1 1.402 0.05 . 2 . . . . 151 K HG1 . 17283 1 1394 . 1 1 151 151 LYS C C 13 176.816 0.11 . 1 . . . . 151 K C . 17283 1 1395 . 1 1 151 151 LYS CA C 13 57.475 0.25 . 1 . . . . 151 K CA . 17283 1 1396 . 1 1 151 151 LYS CB C 13 32.883 0.25 . 1 . . . . 151 K CB . 17283 1 1397 . 1 1 151 151 LYS CD C 13 29.150 0.30 . 1 . . . . 151 K CD . 17283 1 1398 . 1 1 151 151 LYS CG C 13 25.191 0.30 . 1 . . . . 151 K CG . 17283 1 1399 . 1 1 151 151 LYS N N 15 122.342 0.14 . 1 . . . . 151 K N . 17283 1 1400 . 1 1 152 152 GLN H H 1 8.418 0.01 . 1 . . . . 152 Q HN . 17283 1 1401 . 1 1 152 152 GLN HA H 1 4.326 0.05 . 1 . . . . 152 Q HA . 17283 1 1402 . 1 1 152 152 GLN HB2 H 1 2.210 0.05 . 2 . . . . 152 Q HB1 . 17283 1 1403 . 1 1 152 152 GLN HB3 H 1 2.161 0.05 . 2 . . . . 152 Q HB2 . 17283 1 1404 . 1 1 152 152 GLN HG2 H 1 2.354 0.05 . 2 . . . . 152 Q HG1 . 17283 1 1405 . 1 1 152 152 GLN C C 13 175.569 0.11 . 1 . . . . 152 Q C . 17283 1 1406 . 1 1 152 152 GLN CA C 13 56.726 0.25 . 1 . . . . 152 Q CA . 17283 1 1407 . 1 1 152 152 GLN CB C 13 28.901 0.25 . 1 . . . . 152 Q CB . 17283 1 1408 . 1 1 152 152 GLN CG C 13 34.647 0.30 . 1 . . . . 152 Q CG . 17283 1 1409 . 1 1 152 152 GLN N N 15 117.930 0.14 . 1 . . . . 152 Q N . 17283 1 1410 . 1 1 153 153 SER H H 1 8.504 0.01 . 1 . . . . 153 S HN . 17283 1 1411 . 1 1 153 153 SER HA H 1 4.556 0.05 . 1 . . . . 153 S HA . 17283 1 1412 . 1 1 153 153 SER HB2 H 1 4.070 0.05 . 2 . . . . 153 S HB1 . 17283 1 1413 . 1 1 153 153 SER HB3 H 1 3.996 0.05 . 2 . . . . 153 S HB2 . 17283 1 1414 . 1 1 153 153 SER C C 13 173.775 0.11 . 1 . . . . 153 S C . 17283 1 1415 . 1 1 153 153 SER CA C 13 59.249 0.25 . 1 . . . . 153 S CA . 17283 1 1416 . 1 1 153 153 SER CB C 13 64.295 0.25 . 1 . . . . 153 S CB . 17283 1 1417 . 1 1 153 153 SER N N 15 115.680 0.14 . 1 . . . . 153 S N . 17283 1 1418 . 1 1 154 154 GLN H H 1 8.574 0.01 . 1 . . . . 154 Q HN . 17283 1 1419 . 1 1 154 154 GLN HA H 1 4.822 0.05 . 1 . . . . 154 Q HA . 17283 1 1420 . 1 1 154 154 GLN HB2 H 1 2.007 0.05 . 2 . . . . 154 Q HB1 . 17283 1 1421 . 1 1 154 154 GLN HB3 H 1 1.640 0.05 . 2 . . . . 154 Q HB2 . 17283 1 1422 . 1 1 154 154 GLN HE21 H 1 7.409 0.05 . 2 . . . . 154 Q HE21 . 17283 1 1423 . 1 1 154 154 GLN HE22 H 1 6.771 0.05 . 2 . . . . 154 Q HE22 . 17283 1 1424 . 1 1 154 154 GLN HG2 H 1 2.432 0.05 . 2 . . . . 154 Q HG1 . 17283 1 1425 . 1 1 154 154 GLN HG3 H 1 2.200 0.05 . 2 . . . . 154 Q HG2 . 17283 1 1426 . 1 1 154 154 GLN C C 13 174.446 0.11 . 1 . . . . 154 Q C . 17283 1 1427 . 1 1 154 154 GLN CA C 13 56.656 0.25 . 1 . . . . 154 Q CA . 17283 1 1428 . 1 1 154 154 GLN CB C 13 29.499 0.25 . 1 . . . . 154 Q CB . 17283 1 1429 . 1 1 154 154 GLN CG C 13 34.650 0.30 . 1 . . . . 154 Q CG . 17283 1 1430 . 1 1 154 154 GLN N N 15 122.170 0.14 . 1 . . . . 154 Q N . 17283 1 1431 . 1 1 154 154 GLN NE2 N 15 111.805 0.14 . 1 . . . . 154 Q NE2 . 17283 1 1432 . 1 1 155 155 TRP H H 1 9.219 0.01 . 1 . . . . 155 W HN . 17283 1 1433 . 1 1 155 155 TRP HA H 1 5.526 0.05 . 1 . . . . 155 W HA . 17283 1 1434 . 1 1 155 155 TRP HB2 H 1 3.237 0.05 . 2 . . . . 155 W HB1 . 17283 1 1435 . 1 1 155 155 TRP HB3 H 1 3.018 0.05 . 2 . . . . 155 W HB2 . 17283 1 1436 . 1 1 155 155 TRP HE3 H 1 7.180 0.05 . 1 . . . . 155 W HE3 . 17283 1 1437 . 1 1 155 155 TRP HH2 H 1 7.000 0.05 . 1 . . . . 155 W HH2 . 17283 1 1438 . 1 1 155 155 TRP HZ3 H 1 6.960 0.05 . 1 . . . . 155 W HZ3 . 17283 1 1439 . 1 1 155 155 TRP C C 13 175.095 0.11 . 1 . . . . 155 W C . 17283 1 1440 . 1 1 155 155 TRP CA C 13 55.275 0.25 . 1 . . . . 155 W CA . 17283 1 1441 . 1 1 155 155 TRP CB C 13 31.490 0.25 . 1 . . . . 155 W CB . 17283 1 1442 . 1 1 155 155 TRP N N 15 124.911 0.14 . 1 . . . . 155 W N . 17283 1 1443 . 1 1 156 156 PHE H H 1 9.539 0.01 . 1 . . . . 156 F HN . 17283 1 1444 . 1 1 156 156 PHE HA H 1 5.537 0.05 . 1 . . . . 156 F HA . 17283 1 1445 . 1 1 156 156 PHE HB2 H 1 2.715 0.05 . 2 . . . . 156 F HB1 . 17283 1 1446 . 1 1 156 156 PHE HD1 H 1 6.938 0.05 . 3 . . . . 156 F HD1 . 17283 1 1447 . 1 1 156 156 PHE C C 13 173.967 0.11 . 1 . . . . 156 F C . 17283 1 1448 . 1 1 156 156 PHE CA C 13 56.642 0.25 . 1 . . . . 156 F CA . 17283 1 1449 . 1 1 156 156 PHE CB C 13 42.588 0.25 . 1 . . . . 156 F CB . 17283 1 1450 . 1 1 156 156 PHE N N 15 116.780 0.14 . 1 . . . . 156 F N . 17283 1 1451 . 1 1 157 157 LEU H H 1 9.481 0.01 . 1 . . . . 157 L HN . 17283 1 1452 . 1 1 157 157 LEU HA H 1 5.171 0.05 . 1 . . . . 157 L HA . 17283 1 1453 . 1 1 157 157 LEU HB2 H 1 0.718 0.05 . 2 . . . . 157 L HB1 . 17283 1 1454 . 1 1 157 157 LEU HD11 H 1 -0.058 0.05 . 2 . . . . 157 L HD11 . 17283 1 1455 . 1 1 157 157 LEU HD12 H 1 -0.058 0.05 . 2 . . . . 157 L HD12 . 17283 1 1456 . 1 1 157 157 LEU HD13 H 1 -0.058 0.05 . 2 . . . . 157 L HD13 . 17283 1 1457 . 1 1 157 157 LEU HD21 H 1 0.900 0.05 . 2 . . . . 157 L HD21 . 17283 1 1458 . 1 1 157 157 LEU HD22 H 1 0.900 0.05 . 2 . . . . 157 L HD22 . 17283 1 1459 . 1 1 157 157 LEU HD23 H 1 0.900 0.05 . 2 . . . . 157 L HD23 . 17283 1 1460 . 1 1 157 157 LEU C C 13 176.292 0.11 . 1 . . . . 157 L C . 17283 1 1461 . 1 1 157 157 LEU CA C 13 54.455 0.25 . 1 . . . . 157 L CA . 17283 1 1462 . 1 1 157 157 LEU CB C 13 43.600 0.25 . 1 . . . . 157 L CB . 17283 1 1463 . 1 1 157 157 LEU CD1 C 13 22.476 0.30 . 2 . . . . 157 L CD1 . 17283 1 1464 . 1 1 157 157 LEU N N 15 124.633 0.14 . 1 . . . . 157 L N . 17283 1 1465 . 1 1 158 158 VAL H H 1 9.473 0.01 . 1 . . . . 158 V HN . 17283 1 1466 . 1 1 158 158 VAL HA H 1 4.730 0.05 . 1 . . . . 158 V HA . 17283 1 1467 . 1 1 158 158 VAL HB H 1 1.870 0.05 . 1 . . . . 158 V HB . 17283 1 1468 . 1 1 158 158 VAL HG11 H 1 0.938 0.05 . 2 . . . . 158 V HG11 . 17283 1 1469 . 1 1 158 158 VAL HG12 H 1 0.938 0.05 . 2 . . . . 158 V HG12 . 17283 1 1470 . 1 1 158 158 VAL HG13 H 1 0.938 0.05 . 2 . . . . 158 V HG13 . 17283 1 1471 . 1 1 158 158 VAL HG21 H 1 0.372 0.05 . 2 . . . . 158 V HG21 . 17283 1 1472 . 1 1 158 158 VAL HG22 H 1 0.372 0.05 . 2 . . . . 158 V HG22 . 17283 1 1473 . 1 1 158 158 VAL HG23 H 1 0.372 0.05 . 2 . . . . 158 V HG23 . 17283 1 1474 . 1 1 158 158 VAL C C 13 173.244 0.11 . 1 . . . . 158 V C . 17283 1 1475 . 1 1 158 158 VAL CA C 13 59.620 0.25 . 1 . . . . 158 V CA . 17283 1 1476 . 1 1 158 158 VAL CB C 13 35.398 0.25 . 1 . . . . 158 V CB . 17283 1 1477 . 1 1 158 158 VAL CG1 C 13 21.109 0.30 . 2 . . . . 158 V CG1 . 17283 1 1478 . 1 1 158 158 VAL N N 15 129.111 0.14 . 1 . . . . 158 V N . 17283 1 1479 . 1 1 159 159 LYS H H 1 9.227 0.01 . 1 . . . . 159 K HN . 17283 1 1480 . 1 1 159 159 LYS HA H 1 5.430 0.05 . 1 . . . . 159 K HA . 17283 1 1481 . 1 1 159 159 LYS C C 13 175.527 0.11 . 1 . . . . 159 K C . 17283 1 1482 . 1 1 159 159 LYS CA C 13 54.480 0.25 . 1 . . . . 159 K CA . 17283 1 1483 . 1 1 159 159 LYS CB C 13 30.403 0.25 . 1 . . . . 159 K CB . 17283 1 1484 . 1 1 159 159 LYS N N 15 131.301 0.14 . 1 . . . . 159 K N . 17283 1 1485 . 1 1 160 160 ALA H H 1 7.799 0.01 . 1 . . . . 160 A HN . 17283 1 1486 . 1 1 160 160 ALA HA H 1 4.398 0.05 . 1 . . . . 160 A HA . 17283 1 1487 . 1 1 160 160 ALA HB1 H 1 0.912 0.05 . 1 . . . . 160 A HB1 . 17283 1 1488 . 1 1 160 160 ALA HB2 H 1 0.912 0.05 . 1 . . . . 160 A HB2 . 17283 1 1489 . 1 1 160 160 ALA HB3 H 1 0.912 0.05 . 1 . . . . 160 A HB3 . 17283 1 1490 . 1 1 160 160 ALA C C 13 178.268 0.11 . 1 . . . . 160 A C . 17283 1 1491 . 1 1 160 160 ALA CA C 13 50.493 0.25 . 1 . . . . 160 A CA . 17283 1 1492 . 1 1 160 160 ALA CB C 13 20.247 0.25 . 1 . . . . 160 A CB . 17283 1 1493 . 1 1 160 160 ALA N N 15 126.570 0.14 . 1 . . . . 160 A N . 17283 1 1494 . 1 1 161 161 LYS H H 1 8.674 0.01 . 1 . . . . 161 K HN . 17283 1 1495 . 1 1 161 161 LYS HA H 1 4.340 0.05 . 1 . . . . 161 K HA . 17283 1 1496 . 1 1 161 161 LYS HB2 H 1 2.040 0.05 . 2 . . . . 161 K HB1 . 17283 1 1497 . 1 1 161 161 LYS HD2 H 1 1.930 0.05 . 2 . . . . 161 K HD1 . 17283 1 1498 . 1 1 161 161 LYS C C 13 174.582 0.11 . 1 . . . . 161 K C . 17283 1 1499 . 1 1 161 161 LYS CA C 13 56.931 0.25 . 1 . . . . 161 K CA . 17283 1 1500 . 1 1 161 161 LYS CB C 13 30.555 0.25 . 1 . . . . 161 K CB . 17283 1 1501 . 1 1 161 161 LYS N N 15 122.833 0.14 . 1 . . . . 161 K N . 17283 1 1502 . 1 1 162 162 ASP H H 1 8.209 0.01 . 1 . . . . 162 D HN . 17283 1 1503 . 1 1 162 162 ASP HA H 1 4.460 0.05 . 1 . . . . 162 D HA . 17283 1 1504 . 1 1 162 162 ASP HB2 H 1 2.590 0.05 . 2 . . . . 162 D HB1 . 17283 1 1505 . 1 1 162 162 ASP N N 15 116.770 0.14 . 1 . . . . 162 D N . 17283 1 1506 . 1 1 163 163 GLY H H 1 7.741 0.01 . 1 . . . . 163 G HN . 17283 1 1507 . 1 1 165 165 ALA HA H 1 4.409 0.05 . 1 . . . . 165 A HA . 17283 1 1508 . 1 1 165 165 ALA HB1 H 1 1.490 0.05 . 1 . . . . 165 A HB1 . 17283 1 1509 . 1 1 165 165 ALA HB2 H 1 1.490 0.05 . 1 . . . . 165 A HB2 . 17283 1 1510 . 1 1 165 165 ALA HB3 H 1 1.490 0.05 . 1 . . . . 165 A HB3 . 17283 1 1511 . 1 1 165 165 ALA C C 13 177.784 0.11 . 1 . . . . 165 A C . 17283 1 1512 . 1 1 165 165 ALA CA C 13 51.930 0.25 . 1 . . . . 165 A CA . 17283 1 1513 . 1 1 165 165 ALA CB C 13 19.505 0.25 . 1 . . . . 165 A CB . 17283 1 1514 . 1 1 166 166 ARG H H 1 8.159 0.01 . 1 . . . . 166 R HN . 17283 1 1515 . 1 1 166 166 ARG HA H 1 4.534 0.05 . 1 . . . . 166 R HA . 17283 1 1516 . 1 1 166 166 ARG HB2 H 1 1.870 0.05 . 2 . . . . 166 R HB1 . 17283 1 1517 . 1 1 166 166 ARG HG2 H 1 1.576 0.05 . 2 . . . . 166 R HG1 . 17283 1 1518 . 1 1 166 166 ARG CA C 13 54.450 0.25 . 1 . . . . 166 R CA . 17283 1 1519 . 1 1 166 166 ARG CB C 13 32.690 0.25 . 1 . . . . 166 R CB . 17283 1 1520 . 1 1 166 166 ARG N N 15 120.304 0.14 . 1 . . . . 166 R N . 17283 1 1521 . 1 1 169 169 ASP HA H 1 5.450 0.05 . 1 . . . . 169 D HA . 17283 1 1522 . 1 1 169 169 ASP HB2 H 1 2.881 0.05 . 2 . . . . 169 D HB1 . 17283 1 1523 . 1 1 169 169 ASP C C 13 175.221 0.11 . 1 . . . . 169 D C . 17283 1 1524 . 1 1 169 169 ASP CA C 13 52.512 0.25 . 1 . . . . 169 D CA . 17283 1 1525 . 1 1 169 169 ASP CB C 13 43.586 0.25 . 1 . . . . 169 D CB . 17283 1 1526 . 1 1 170 170 ARG H H 1 9.098 0.01 . 1 . . . . 170 R HN . 17283 1 1527 . 1 1 170 170 ARG CA C 13 56.423 0.25 . 1 . . . . 170 R CA . 17283 1 1528 . 1 1 170 170 ARG CB C 13 29.703 0.25 . 1 . . . . 170 R CB . 17283 1 1529 . 1 1 170 170 ARG N N 15 124.771 0.14 . 1 . . . . 170 R N . 17283 1 1530 . 1 1 171 171 PHE H H 1 7.642 0.01 . 1 . . . . 171 F HN . 17283 1 1531 . 1 1 171 171 PHE HD1 H 1 7.101 0.05 . 3 . . . . 171 F HD1 . 17283 1 1532 . 1 1 171 171 PHE C C 13 180.394 0.11 . 1 . . . . 171 F C . 17283 1 1533 . 1 1 171 171 PHE CA C 13 58.603 0.25 . 1 . . . . 171 F CA . 17283 1 1534 . 1 1 171 171 PHE CB C 13 38.660 0.25 . 1 . . . . 171 F CB . 17283 1 1535 . 1 1 171 171 PHE N N 15 124.753 0.14 . 1 . . . . 171 F N . 17283 1 1536 . 1 1 172 172 ASP H H 1 8.543 0.01 . 1 . . . . 172 D HN . 17283 1 1537 . 1 1 173 173 VAL C C 13 176.523 0.11 . 1 . . . . 173 V C . 17283 1 1538 . 1 1 174 174 LEU H H 1 8.383 0.01 . 1 . . . . 174 L HN . 17283 1 1539 . 1 1 174 174 LEU N N 15 122.289 0.14 . 1 . . . . 174 L N . 17283 1 1540 . 1 1 175 175 LYS HA H 1 4.398 0.05 . 1 . . . . 175 K HA . 17283 1 1541 . 1 1 175 175 LYS HB2 H 1 1.855 0.05 . 2 . . . . 175 K HB1 . 17283 1 1542 . 1 1 175 175 LYS HB3 H 1 1.730 0.05 . 2 . . . . 175 K HB2 . 17283 1 1543 . 1 1 175 175 LYS HD2 H 1 1.741 0.05 . 2 . . . . 175 K HD1 . 17283 1 1544 . 1 1 175 175 LYS HE2 H 1 3.092 0.05 . 2 . . . . 175 K HE1 . 17283 1 1545 . 1 1 175 175 LYS HG2 H 1 1.364 0.05 . 2 . . . . 175 K HG1 . 17283 1 1546 . 1 1 175 175 LYS C C 13 176.697 0.11 . 1 . . . . 175 K C . 17283 1 1547 . 1 1 175 175 LYS CA C 13 56.759 0.25 . 1 . . . . 175 K CA . 17283 1 1548 . 1 1 175 175 LYS CB C 13 32.569 0.25 . 1 . . . . 175 K CB . 17283 1 1549 . 1 1 175 175 LYS CD C 13 29.281 0.30 . 1 . . . . 175 K CD . 17283 1 1550 . 1 1 175 175 LYS CE C 13 43.533 0.30 . 1 . . . . 175 K CE . 17283 1 1551 . 1 1 175 175 LYS CG C 13 25.127 0.30 . 1 . . . . 175 K CG . 17283 1 1552 . 1 1 176 176 GLU H H 1 8.140 0.01 . 1 . . . . 176 E HN . 17283 1 1553 . 1 1 176 176 GLU HA H 1 4.302 0.05 . 1 . . . . 176 E HA . 17283 1 1554 . 1 1 176 176 GLU HB2 H 1 2.127 0.05 . 2 . . . . 176 E HB1 . 17283 1 1555 . 1 1 176 176 GLU HB3 H 1 1.836 0.05 . 2 . . . . 176 E HB2 . 17283 1 1556 . 1 1 176 176 GLU HG2 H 1 2.241 0.05 . 2 . . . . 176 E HG1 . 17283 1 1557 . 1 1 176 176 GLU C C 13 175.684 0.11 . 1 . . . . 176 E C . 17283 1 1558 . 1 1 176 176 GLU CA C 13 57.025 0.25 . 1 . . . . 176 E CA . 17283 1 1559 . 1 1 176 176 GLU CB C 13 30.765 0.25 . 1 . . . . 176 E CB . 17283 1 1560 . 1 1 176 176 GLU CG C 13 36.463 0.30 . 1 . . . . 176 E CG . 17283 1 1561 . 1 1 176 176 GLU N N 15 121.697 0.14 . 1 . . . . 176 E N . 17283 1 1562 . 1 1 177 177 ARG H H 1 7.959 0.01 . 1 . . . . 177 R HN . 17283 1 1563 . 1 1 177 177 ARG HA H 1 4.228 0.05 . 1 . . . . 177 R HA . 17283 1 1564 . 1 1 177 177 ARG HB2 H 1 1.782 0.05 . 2 . . . . 177 R HB1 . 17283 1 1565 . 1 1 177 177 ARG HD2 H 1 3.235 0.05 . 2 . . . . 177 R HD1 . 17283 1 1566 . 1 1 177 177 ARG HG2 H 1 1.644 0.05 . 2 . . . . 177 R HG1 . 17283 1 1567 . 1 1 177 177 ARG C C 13 181.008 0.11 . 1 . . . . 177 R C . 17283 1 1568 . 1 1 177 177 ARG CA C 13 56.798 0.25 . 1 . . . . 177 R CA . 17283 1 1569 . 1 1 177 177 ARG CB C 13 30.461 0.25 . 1 . . . . 177 R CB . 17283 1 1570 . 1 1 177 177 ARG N N 15 126.421 0.14 . 1 . . . . 177 R N . 17283 1 stop_ save_