data_4202 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4202 _Entry.Title ; Solution Structure of Reduced Monomeric Q133M2 Copper, Zinc Superoxide Dismutase(SOD). Why SOD is a Dimeric Enzyme? ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1997-02-28 _Entry.Accession_date 1997-02-02 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Lucia Banci . . . 4202 2 Marco Benedetto . . . 4202 3 Ivano Bertini . . . 4202 4 Rebecca 'Del Conte' . . . 4202 5 Mario Piccioli . . . 4202 6 Maria Viezzoli . Silvia . 4202 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4202 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 579 4202 '15N chemical shifts' 157 4202 '1H chemical shifts' 959 4202 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 . . 2012-11-07 1998-09-16 update BMRB 'change CE1 and CE2 to HE1 and HE2 for residue 20 PHE' 4202 1 . . 2000-04-04 1998-09-16 original author 'original release' 4202 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4202 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 98384143 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution Structure of Reduced Monomeric Q133M2 Copper, Zinc Superoxide Dismutase (SOD). Why SOD is a Dimeric Enzyme?' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 37 _Citation.Journal_issue 34 _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 11780 _Citation.Page_last 11791 _Citation.Year 1998 _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 Lucia Banci . . . 4202 1 2 Marco Benedetto . . . 4202 1 3 Ivano Bertini . . . 4202 1 4 Rebecca 'Del Conte' . . . 4202 1 5 Mario Piccioli . . . 4202 1 6 Maria Viezzoli . Silvia . 4202 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'copper-zinc enzyme' 4202 1 'Superoxide dismutase' 4202 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_SOD _Assembly.Sf_category assembly _Assembly.Sf_framecode system_SOD _Assembly.Entry_ID 4202 _Assembly.ID 1 _Assembly.Name 'Superoxide Dismutase' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions 2 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disufide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 1.15.1.1 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4202 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Q133M2 SOD' 1 $Q133M2_SOD . . . native . . . . . 4202 1 2 CU 2 $entity_CU . . . native . . . . . 4202 1 3 Zn 3 $entity_ZN . . . native . . . . . 4202 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 1BA9 . . . . . . 4202 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID SOD abbreviation 4202 1 'Superoxide Dismutase' system 4202 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Dismutation of superoxide radicals to molecular oxygen and hydrogen peroxide"' 4202 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Q133M2_SOD _Entity.Sf_category entity _Entity.Sf_framecode Q133M2_SOD _Entity.Entry_ID 4202 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Superoxide Dismutase' _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 ; ATKAVAVLKGDGPVQGIINF EQKESNGPVKVWGSIKGLTE GLHGFHVHEEEDNTAGCTSA GPHFNPLSRKHGGPKDEERH VGDLGNVTADKDGVADVSIE DSVISLSGDHSIIGRTLVVH EKADDLGKGGNEQSTKTGNA GSRLACGVIGIAQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 153 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16000 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The SOD studied is in the reduced form: Cu(I), Zn(II) superoxide dismutase The mutations are: E 133 Q, F 50 E, G 51 E ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15711 . SOD1 . . . . . 100.00 153 98.69 100.00 2.56e-102 . . . . 4202 1 2 no BMRB 15712 . SOD1 . . . . . 100.00 153 98.04 99.35 1.25e-101 . . . . 4202 1 3 no BMRB 15713 . SOD1 . . . . . 100.00 153 98.04 99.35 2.40e-101 . . . . 4202 1 4 no BMRB 15714 . SOD1 . . . . . 100.00 153 98.04 99.35 2.62e-101 . . . . 4202 1 5 no BMRB 18509 . Superoxide_dismutase_C6A-C111S_thermostable_mutant . . . . . 100.00 153 98.04 98.69 2.46e-100 . . . . 4202 1 6 no BMRB 18708 . SUPEROXIDE_DISMUTASE_CU-ZN . . . . . 100.00 153 98.04 98.69 2.46e-100 . . . . 4202 1 7 no BMRB 18968 . SOD1 . . . . . 100.00 153 98.69 100.00 2.56e-102 . . . . 4202 1 8 no BMRB 26570 . SOD1 . . . . . 100.00 153 98.04 98.69 2.46e-100 . . . . 4202 1 9 no PDB 1BA9 . "The Solution Structure Of Reduced Monomeric Superoxide Dismutase, Nmr, 36 Structures" . . . . . 99.35 153 100.00 100.00 1.14e-102 . . . . 4202 1 10 no PDB 1DSW . "The Solution Structure Of A Monomeric, Reduced Form Of Human Copper, Zinc Superoxide Dismutase Bearing The Same Charge As The N" . . . . . 99.35 153 98.03 98.68 4.59e-100 . . . . 4202 1 11 no PDB 1FUN . "Superoxide Dismutase Mutant With Lys 136 Replaced By Glu, Cys 6 Replaced By Ala And Cys 111 Replaced By Ser (K136e, C6a, C111s)" . . . . . 100.00 153 97.39 98.69 1.09e-99 . . . . 4202 1 12 no PDB 1KMG . "The Solution Structure Of Monomeric Copper-Free Superoxide Dismutase" . . . . . 100.00 153 100.00 100.00 2.72e-103 . . . . 4202 1 13 no PDB 1L3N . "The Solution Structure Of Reduced Dimeric Copper Zinc Sod: The Structural Effects Of Dimerization" . . . . . 100.00 153 98.04 98.69 2.46e-100 . . . . 4202 1 14 no PDB 1MFM . "Monomeric Human Sod Mutant F50eG51EE133Q AT ATOMIC Resolution" . . . . . 100.00 153 100.00 100.00 2.72e-103 . . . . 4202 1 15 no PDB 1N18 . "Thermostable Mutant Of Human Superoxide Dismutase, C6a, C111s" . . . . . 100.00 154 98.04 98.69 1.68e-100 . . . . 4202 1 16 no PDB 1N19 . "Structure Of The Hsod A4v Mutant" . . . . . 100.00 154 97.39 98.04 1.05e-99 . . . . 4202 1 17 no PDB 1PTZ . "Crystal Structure Of The Human Cu, Zn Superoxide Dismutase, Familial Amyotrophic Lateral Sclerosis (Fals) Mutant H43r" . . . . . 100.00 153 97.39 98.04 1.94e-99 . . . . 4202 1 18 no PDB 1RK7 . "Solution Structure Of Apo Cu,Zn Superoxide Dismutase: Role Of Metal Ions In Protein Folding" . . . . . 100.00 153 100.00 100.00 2.72e-103 . . . . 4202 1 19 no PDB 1SOS . "Atomic Structures Of Wild-type And Thermostable Mutant Recombinant Human Cu, Zn Superoxide Dismutase" . . . . . 100.00 154 98.04 98.69 2.55e-100 . . . . 4202 1 20 no PDB 2AF2 . "Solution Structure Of Disulfide Reduced And Copper Depleted Human Superoxide Dismutase" . . . . . 100.00 153 98.04 98.69 2.46e-100 . . . . 4202 1 21 no PDB 2GBT . "C6aC111A CUZN SUPEROXIDE DISMUTASE" . . . . . 100.00 153 97.39 98.69 5.96e-100 . . . . 4202 1 22 no PDB 2LU5 . "Structure And Chemical Shifts Of Cu(I),Zn(Ii) Superoxide Dismutase By Solid-State Nmr" . . . . . 100.00 153 98.04 98.69 2.46e-100 . . . . 4202 1 23 no PDB 2XJK . "Monomeric Human Cu,Zn Superoxide Dismutase" . . . . . 100.00 153 98.69 100.00 2.56e-102 . . . . 4202 1 24 no PDB 4BCY . "Monomeric Human Cu,zn Superoxide Dismutase, Mutation H43f" . . . . . 100.00 153 98.04 99.35 2.51e-101 . . . . 4202 1 25 no PDB 4OH2 . "Crystal Structure Of Cu/zn Superoxide Dismutase I149t" . . . . . 100.00 153 97.39 98.04 1.46e-99 . . . . 4202 1 26 no GB AAA72747 . "CuZn superoxide dismutase [synthetic construct]" . . . . . 100.00 154 98.04 98.69 1.68e-100 . . . . 4202 1 27 no GB AAA80237 . "HSOD-GlyProGly-A+, partial [synthetic construct]" . . . . . 100.00 171 98.04 98.69 8.51e-100 . . . . 4202 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'E133Q, F50E, G51E' variant 4202 1 Q133M2SOD abbreviation 4202 1 'Superoxide Dismutase' common 4202 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ALA . 4202 1 2 2 THR . 4202 1 3 3 LYS . 4202 1 4 4 ALA . 4202 1 5 5 VAL . 4202 1 6 6 ALA . 4202 1 7 7 VAL . 4202 1 8 8 LEU . 4202 1 9 9 LYS . 4202 1 10 10 GLY . 4202 1 11 11 ASP . 4202 1 12 12 GLY . 4202 1 13 13 PRO . 4202 1 14 14 VAL . 4202 1 15 15 GLN . 4202 1 16 16 GLY . 4202 1 17 17 ILE . 4202 1 18 18 ILE . 4202 1 19 19 ASN . 4202 1 20 20 PHE . 4202 1 21 21 GLU . 4202 1 22 22 GLN . 4202 1 23 23 LYS . 4202 1 24 24 GLU . 4202 1 25 25 SER . 4202 1 26 26 ASN . 4202 1 27 27 GLY . 4202 1 28 28 PRO . 4202 1 29 29 VAL . 4202 1 30 30 LYS . 4202 1 31 31 VAL . 4202 1 32 32 TRP . 4202 1 33 33 GLY . 4202 1 34 34 SER . 4202 1 35 35 ILE . 4202 1 36 36 LYS . 4202 1 37 37 GLY . 4202 1 38 38 LEU . 4202 1 39 39 THR . 4202 1 40 40 GLU . 4202 1 41 41 GLY . 4202 1 42 42 LEU . 4202 1 43 43 HIS . 4202 1 44 44 GLY . 4202 1 45 45 PHE . 4202 1 46 46 HIS . 4202 1 47 47 VAL . 4202 1 48 48 HIS . 4202 1 49 49 GLU . 4202 1 50 50 GLU . 4202 1 51 51 GLU . 4202 1 52 52 ASP . 4202 1 53 53 ASN . 4202 1 54 54 THR . 4202 1 55 55 ALA . 4202 1 56 56 GLY . 4202 1 57 57 CYS . 4202 1 58 58 THR . 4202 1 59 59 SER . 4202 1 60 60 ALA . 4202 1 61 61 GLY . 4202 1 62 62 PRO . 4202 1 63 63 HIS . 4202 1 64 64 PHE . 4202 1 65 65 ASN . 4202 1 66 66 PRO . 4202 1 67 67 LEU . 4202 1 68 68 SER . 4202 1 69 69 ARG . 4202 1 70 70 LYS . 4202 1 71 71 HIS . 4202 1 72 72 GLY . 4202 1 73 73 GLY . 4202 1 74 74 PRO . 4202 1 75 75 LYS . 4202 1 76 76 ASP . 4202 1 77 77 GLU . 4202 1 78 78 GLU . 4202 1 79 79 ARG . 4202 1 80 80 HIS . 4202 1 81 81 VAL . 4202 1 82 82 GLY . 4202 1 83 83 ASP . 4202 1 84 84 LEU . 4202 1 85 85 GLY . 4202 1 86 86 ASN . 4202 1 87 87 VAL . 4202 1 88 88 THR . 4202 1 89 89 ALA . 4202 1 90 90 ASP . 4202 1 91 91 LYS . 4202 1 92 92 ASP . 4202 1 93 93 GLY . 4202 1 94 94 VAL . 4202 1 95 95 ALA . 4202 1 96 96 ASP . 4202 1 97 97 VAL . 4202 1 98 98 SER . 4202 1 99 99 ILE . 4202 1 100 100 GLU . 4202 1 101 101 ASP . 4202 1 102 102 SER . 4202 1 103 103 VAL . 4202 1 104 104 ILE . 4202 1 105 105 SER . 4202 1 106 106 LEU . 4202 1 107 107 SER . 4202 1 108 108 GLY . 4202 1 109 109 ASP . 4202 1 110 110 HIS . 4202 1 111 111 SER . 4202 1 112 112 ILE . 4202 1 113 113 ILE . 4202 1 114 114 GLY . 4202 1 115 115 ARG . 4202 1 116 116 THR . 4202 1 117 117 LEU . 4202 1 118 118 VAL . 4202 1 119 119 VAL . 4202 1 120 120 HIS . 4202 1 121 121 GLU . 4202 1 122 122 LYS . 4202 1 123 123 ALA . 4202 1 124 124 ASP . 4202 1 125 125 ASP . 4202 1 126 126 LEU . 4202 1 127 127 GLY . 4202 1 128 128 LYS . 4202 1 129 129 GLY . 4202 1 130 130 GLY . 4202 1 131 131 ASN . 4202 1 132 132 GLU . 4202 1 133 133 GLN . 4202 1 134 134 SER . 4202 1 135 135 THR . 4202 1 136 136 LYS . 4202 1 137 137 THR . 4202 1 138 138 GLY . 4202 1 139 139 ASN . 4202 1 140 140 ALA . 4202 1 141 141 GLY . 4202 1 142 142 SER . 4202 1 143 143 ARG . 4202 1 144 144 LEU . 4202 1 145 145 ALA . 4202 1 146 146 CYS . 4202 1 147 147 GLY . 4202 1 148 148 VAL . 4202 1 149 149 ILE . 4202 1 150 150 GLY . 4202 1 151 151 ILE . 4202 1 152 152 ALA . 4202 1 153 153 GLN . 4202 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 4202 1 . THR 2 2 4202 1 . LYS 3 3 4202 1 . ALA 4 4 4202 1 . VAL 5 5 4202 1 . ALA 6 6 4202 1 . VAL 7 7 4202 1 . LEU 8 8 4202 1 . LYS 9 9 4202 1 . GLY 10 10 4202 1 . ASP 11 11 4202 1 . GLY 12 12 4202 1 . PRO 13 13 4202 1 . VAL 14 14 4202 1 . GLN 15 15 4202 1 . GLY 16 16 4202 1 . ILE 17 17 4202 1 . ILE 18 18 4202 1 . ASN 19 19 4202 1 . PHE 20 20 4202 1 . GLU 21 21 4202 1 . GLN 22 22 4202 1 . LYS 23 23 4202 1 . GLU 24 24 4202 1 . SER 25 25 4202 1 . ASN 26 26 4202 1 . GLY 27 27 4202 1 . PRO 28 28 4202 1 . VAL 29 29 4202 1 . LYS 30 30 4202 1 . VAL 31 31 4202 1 . TRP 32 32 4202 1 . GLY 33 33 4202 1 . SER 34 34 4202 1 . ILE 35 35 4202 1 . LYS 36 36 4202 1 . GLY 37 37 4202 1 . LEU 38 38 4202 1 . THR 39 39 4202 1 . GLU 40 40 4202 1 . GLY 41 41 4202 1 . LEU 42 42 4202 1 . HIS 43 43 4202 1 . GLY 44 44 4202 1 . PHE 45 45 4202 1 . HIS 46 46 4202 1 . VAL 47 47 4202 1 . HIS 48 48 4202 1 . GLU 49 49 4202 1 . GLU 50 50 4202 1 . GLU 51 51 4202 1 . ASP 52 52 4202 1 . ASN 53 53 4202 1 . THR 54 54 4202 1 . ALA 55 55 4202 1 . GLY 56 56 4202 1 . CYS 57 57 4202 1 . THR 58 58 4202 1 . SER 59 59 4202 1 . ALA 60 60 4202 1 . GLY 61 61 4202 1 . PRO 62 62 4202 1 . HIS 63 63 4202 1 . PHE 64 64 4202 1 . ASN 65 65 4202 1 . PRO 66 66 4202 1 . LEU 67 67 4202 1 . SER 68 68 4202 1 . ARG 69 69 4202 1 . LYS 70 70 4202 1 . HIS 71 71 4202 1 . GLY 72 72 4202 1 . GLY 73 73 4202 1 . PRO 74 74 4202 1 . LYS 75 75 4202 1 . ASP 76 76 4202 1 . GLU 77 77 4202 1 . GLU 78 78 4202 1 . ARG 79 79 4202 1 . HIS 80 80 4202 1 . VAL 81 81 4202 1 . GLY 82 82 4202 1 . ASP 83 83 4202 1 . LEU 84 84 4202 1 . GLY 85 85 4202 1 . ASN 86 86 4202 1 . VAL 87 87 4202 1 . THR 88 88 4202 1 . ALA 89 89 4202 1 . ASP 90 90 4202 1 . LYS 91 91 4202 1 . ASP 92 92 4202 1 . GLY 93 93 4202 1 . VAL 94 94 4202 1 . ALA 95 95 4202 1 . ASP 96 96 4202 1 . VAL 97 97 4202 1 . SER 98 98 4202 1 . ILE 99 99 4202 1 . GLU 100 100 4202 1 . ASP 101 101 4202 1 . SER 102 102 4202 1 . VAL 103 103 4202 1 . ILE 104 104 4202 1 . SER 105 105 4202 1 . LEU 106 106 4202 1 . SER 107 107 4202 1 . GLY 108 108 4202 1 . ASP 109 109 4202 1 . HIS 110 110 4202 1 . SER 111 111 4202 1 . ILE 112 112 4202 1 . ILE 113 113 4202 1 . GLY 114 114 4202 1 . ARG 115 115 4202 1 . THR 116 116 4202 1 . LEU 117 117 4202 1 . VAL 118 118 4202 1 . VAL 119 119 4202 1 . HIS 120 120 4202 1 . GLU 121 121 4202 1 . LYS 122 122 4202 1 . ALA 123 123 4202 1 . ASP 124 124 4202 1 . ASP 125 125 4202 1 . LEU 126 126 4202 1 . GLY 127 127 4202 1 . LYS 128 128 4202 1 . GLY 129 129 4202 1 . GLY 130 130 4202 1 . ASN 131 131 4202 1 . GLU 132 132 4202 1 . GLN 133 133 4202 1 . SER 134 134 4202 1 . THR 135 135 4202 1 . LYS 136 136 4202 1 . THR 137 137 4202 1 . GLY 138 138 4202 1 . ASN 139 139 4202 1 . ALA 140 140 4202 1 . GLY 141 141 4202 1 . SER 142 142 4202 1 . ARG 143 143 4202 1 . LEU 144 144 4202 1 . ALA 145 145 4202 1 . CYS 146 146 4202 1 . GLY 147 147 4202 1 . VAL 148 148 4202 1 . ILE 149 149 4202 1 . GLY 150 150 4202 1 . ILE 151 151 4202 1 . ALA 152 152 4202 1 . GLN 153 153 4202 1 stop_ save_ save_entity_CU _Entity.Sf_category entity _Entity.Sf_framecode entity_CU _Entity.Entry_ID 4202 _Entity.ID 2 _Entity.BMRB_code CU _Entity.Name 'COPPER (II) ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CU _Entity.Nonpolymer_comp_label $chem_comp_CU _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 63.546 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'COPPER (II) ION' BMRB 4202 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'COPPER (II) ION' BMRB 4202 2 CU 'Three letter code' 4202 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CU $chem_comp_CU 4202 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 CU CU 4202 2 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 4202 _Entity.ID 3 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 4202 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 4202 3 ZN 'Three letter code' 4202 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 4202 3 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 4202 3 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 4202 _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 $Q133M2_SOD . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . ; expressed in E. coli TOPP I strain (Stratagene) The human SOD gene has been expressed in the pBR322 plasmid ; . . 4202 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 4202 _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 $Q133M2_SOD . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli TOPP_1 . . . . . . . . . . . . plasmid . . pBR322 . . . . . . 4202 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CU _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CU _Chem_comp.Entry_ID 4202 _Chem_comp.ID CU _Chem_comp.Provenance PDB _Chem_comp.Name 'COPPER (II) ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CU _Chem_comp.PDB_code CU _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-12-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CU _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Cu/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Cu _Chem_comp.Formula_weight 63.546 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID [Cu++] SMILES CACTVS 3.341 4202 CU [Cu++] SMILES_CANONICAL CACTVS 3.341 4202 CU [Cu+2] SMILES ACDLabs 10.04 4202 CU [Cu+2] SMILES 'OpenEye OEToolkits' 1.5.0 4202 CU [Cu+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4202 CU InChI=1S/Cu/q+2 InChI InChI 1.03 4202 CU JPVYNHNXODAKFH-UHFFFAOYSA-N InChIKey InChI 1.03 4202 CU stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID copper(2+) 'SYSTEMATIC NAME' ACDLabs 10.04 4202 CU 'copper(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4202 CU stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CU CU CU CU . CU . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 4202 CU stop_ save_ save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 4202 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-12-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 4202 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 4202 ZN [Zn++] SMILES CACTVS 3.341 4202 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 4202 ZN [Zn+2] SMILES ACDLabs 10.04 4202 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 4202 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4202 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 4202 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4202 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 4202 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4202 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Superoxide Dismutase' '[U-13C; U-15N]' . . 1 $Q133M2_SOD . . . 2 3 mM . . . . 4202 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4202 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.0 0.01 na 4202 1 temperature 298 0.2 K 4202 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4202 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_two _NMR_spectrometer.Entry_ID 4202 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_three _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_three _NMR_spectrometer.Entry_ID 4202 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_four _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_four _NMR_spectrometer.Entry_ID 4202 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4202 _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 NMR_spectrometer_one Bruker AMX . 600 . . . 4202 1 2 NMR_spectrometer_two Bruker DRX . 600 . . . 4202 1 3 NMR_spectrometer_three Varian Avance . 800 . . . 4202 1 4 NMR_spectrometer_four Varian Avance . 600 . . . 4202 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 4202 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4202 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4202 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.25144952 . . . . . . . . . 4202 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct . . . . . . . . . . 4202 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.10132905 . . . . . . . . . 4202 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_chemical_shift_assignment_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_one _Assigned_chem_shift_list.Entry_ID 4202 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4202 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA C C 13 174.0 . . 1 . . . . . . . . 4202 1 2 . 1 1 1 1 ALA CA C 13 52.3 . . 1 . . . . . . . . 4202 1 3 . 1 1 1 1 ALA HA H 1 4.25 . . 1 . . . . . . . . 4202 1 4 . 1 1 1 1 ALA CB C 13 20.3 . . 1 . . . . . . . . 4202 1 5 . 1 1 1 1 ALA HB1 H 1 1.61 . . 1 . . . . . . . . 4202 1 6 . 1 1 1 1 ALA HB2 H 1 1.61 . . 1 . . . . . . . . 4202 1 7 . 1 1 1 1 ALA HB3 H 1 1.61 . . 1 . . . . . . . . 4202 1 8 . 1 1 2 2 THR N N 15 116.5 . . 1 . . . . . . . . 4202 1 9 . 1 1 2 2 THR H H 1 8.55 . . 1 . . . . . . . . 4202 1 10 . 1 1 2 2 THR C C 13 172.4 . . 1 . . . . . . . . 4202 1 11 . 1 1 2 2 THR CA C 13 62.5 . . 1 . . . . . . . . 4202 1 12 . 1 1 2 2 THR HA H 1 4.45 . . 1 . . . . . . . . 4202 1 13 . 1 1 2 2 THR CB C 13 70.1 . . 1 . . . . . . . . 4202 1 14 . 1 1 2 2 THR HB H 1 3.98 . . 1 . . . . . . . . 4202 1 15 . 1 1 2 2 THR CG2 C 13 22.4 . . 1 . . . . . . . . 4202 1 16 . 1 1 2 2 THR HG21 H 1 1.31 . . 1 . . . . . . . . 4202 1 17 . 1 1 2 2 THR HG22 H 1 1.31 . . 1 . . . . . . . . 4202 1 18 . 1 1 2 2 THR HG23 H 1 1.31 . . 1 . . . . . . . . 4202 1 19 . 1 1 3 3 LYS N N 15 126.3 . . 1 . . . . . . . . 4202 1 20 . 1 1 3 3 LYS H H 1 8.73 . . 1 . . . . . . . . 4202 1 21 . 1 1 3 3 LYS C C 13 174.5 . . 1 . . . . . . . . 4202 1 22 . 1 1 3 3 LYS CA C 13 55.0 . . 1 . . . . . . . . 4202 1 23 . 1 1 3 3 LYS HA H 1 5.38 . . 1 . . . . . . . . 4202 1 24 . 1 1 3 3 LYS CB C 13 36.3 . . 1 . . . . . . . . 4202 1 25 . 1 1 3 3 LYS HB2 H 1 2.02 . . 1 . . . . . . . . 4202 1 26 . 1 1 3 3 LYS HB3 H 1 2.02 . . 1 . . . . . . . . 4202 1 27 . 1 1 3 3 LYS CG C 13 25.4 . . 1 . . . . . . . . 4202 1 28 . 1 1 3 3 LYS HG2 H 1 1.52 . . 1 . . . . . . . . 4202 1 29 . 1 1 3 3 LYS HG3 H 1 1.52 . . 1 . . . . . . . . 4202 1 30 . 1 1 3 3 LYS CD C 13 29.3 . . 1 . . . . . . . . 4202 1 31 . 1 1 3 3 LYS HD2 H 1 1.81 . . 1 . . . . . . . . 4202 1 32 . 1 1 3 3 LYS HD3 H 1 1.81 . . 1 . . . . . . . . 4202 1 33 . 1 1 3 3 LYS CE C 13 42.0 . . 1 . . . . . . . . 4202 1 34 . 1 1 3 3 LYS HE2 H 1 3.00 . . 1 . . . . . . . . 4202 1 35 . 1 1 3 3 LYS HE3 H 1 3.00 . . 1 . . . . . . . . 4202 1 36 . 1 1 4 4 ALA N N 15 123.5 . . 1 . . . . . . . . 4202 1 37 . 1 1 4 4 ALA H H 1 9.18 . . 1 . . . . . . . . 4202 1 38 . 1 1 4 4 ALA C C 13 175.3 . . 1 . . . . . . . . 4202 1 39 . 1 1 4 4 ALA CA C 13 50.8 . . 1 . . . . . . . . 4202 1 40 . 1 1 4 4 ALA HA H 1 5.32 . . 1 . . . . . . . . 4202 1 41 . 1 1 4 4 ALA CB C 13 23.7 . . 1 . . . . . . . . 4202 1 42 . 1 1 4 4 ALA HB1 H 1 1.06 . . 1 . . . . . . . . 4202 1 43 . 1 1 4 4 ALA HB2 H 1 1.06 . . 1 . . . . . . . . 4202 1 44 . 1 1 4 4 ALA HB3 H 1 1.06 . . 1 . . . . . . . . 4202 1 45 . 1 1 5 5 VAL N N 15 121.3 . . 1 . . . . . . . . 4202 1 46 . 1 1 5 5 VAL H H 1 9.49 . . 1 . . . . . . . . 4202 1 47 . 1 1 5 5 VAL C C 13 173.1 . . 1 . . . . . . . . 4202 1 48 . 1 1 5 5 VAL CA C 13 60.4 . . 1 . . . . . . . . 4202 1 49 . 1 1 5 5 VAL HA H 1 5.35 . . 1 . . . . . . . . 4202 1 50 . 1 1 5 5 VAL CB C 13 36.2 . . 1 . . . . . . . . 4202 1 51 . 1 1 5 5 VAL HB H 1 2.00 . . 1 . . . . . . . . 4202 1 52 . 1 1 5 5 VAL CG1 C 13 19.6 . . 1 . . . . . . . . 4202 1 53 . 1 1 5 5 VAL HG11 H 1 0.86 . . 1 . . . . . . . . 4202 1 54 . 1 1 5 5 VAL HG12 H 1 0.86 . . 1 . . . . . . . . 4202 1 55 . 1 1 5 5 VAL HG13 H 1 0.86 . . 1 . . . . . . . . 4202 1 56 . 1 1 5 5 VAL CG2 C 13 21.8 . . 1 . . . . . . . . 4202 1 57 . 1 1 5 5 VAL HG21 H 1 0.83 . . 1 . . . . . . . . 4202 1 58 . 1 1 5 5 VAL HG22 H 1 0.83 . . 1 . . . . . . . . 4202 1 59 . 1 1 5 5 VAL HG23 H 1 0.83 . . 1 . . . . . . . . 4202 1 60 . 1 1 6 6 ALA N N 15 129.6 . . 1 . . . . . . . . 4202 1 61 . 1 1 6 6 ALA H H 1 9.45 . . 1 . . . . . . . . 4202 1 62 . 1 1 6 6 ALA C C 13 174.5 . . 1 . . . . . . . . 4202 1 63 . 1 1 6 6 ALA CA C 13 51.0 . . 1 . . . . . . . . 4202 1 64 . 1 1 6 6 ALA HA H 1 4.89 . . 1 . . . . . . . . 4202 1 65 . 1 1 6 6 ALA CB C 13 23.2 . . 1 . . . . . . . . 4202 1 66 . 1 1 6 6 ALA HB1 H 1 1.15 . . 1 . . . . . . . . 4202 1 67 . 1 1 6 6 ALA HB2 H 1 1.15 . . 1 . . . . . . . . 4202 1 68 . 1 1 6 6 ALA HB3 H 1 1.15 . . 1 . . . . . . . . 4202 1 69 . 1 1 7 7 VAL N N 15 125.9 . . 1 . . . . . . . . 4202 1 70 . 1 1 7 7 VAL H H 1 9.30 . . 1 . . . . . . . . 4202 1 71 . 1 1 7 7 VAL C C 13 175.7 . . 1 . . . . . . . . 4202 1 72 . 1 1 7 7 VAL CA C 13 62.0 . . 1 . . . . . . . . 4202 1 73 . 1 1 7 7 VAL HA H 1 4.34 . . 1 . . . . . . . . 4202 1 74 . 1 1 7 7 VAL CB C 13 31.7 . . 1 . . . . . . . . 4202 1 75 . 1 1 7 7 VAL HB H 1 2.03 . . 1 . . . . . . . . 4202 1 76 . 1 1 7 7 VAL CG1 C 13 20.9 . . 1 . . . . . . . . 4202 1 77 . 1 1 7 7 VAL HG11 H 1 0.96 . . 1 . . . . . . . . 4202 1 78 . 1 1 7 7 VAL HG12 H 1 0.96 . . 1 . . . . . . . . 4202 1 79 . 1 1 7 7 VAL HG13 H 1 0.96 . . 1 . . . . . . . . 4202 1 80 . 1 1 7 7 VAL CG2 C 13 20.9 . . 1 . . . . . . . . 4202 1 81 . 1 1 7 7 VAL HG21 H 1 0.91 . . 1 . . . . . . . . 4202 1 82 . 1 1 7 7 VAL HG22 H 1 0.91 . . 1 . . . . . . . . 4202 1 83 . 1 1 7 7 VAL HG23 H 1 0.91 . . 1 . . . . . . . . 4202 1 84 . 1 1 8 8 LEU N N 15 126.7 . . 1 . . . . . . . . 4202 1 85 . 1 1 8 8 LEU H H 1 8.78 . . 1 . . . . . . . . 4202 1 86 . 1 1 8 8 LEU C C 13 176.1 . . 1 . . . . . . . . 4202 1 87 . 1 1 8 8 LEU CA C 13 54.3 . . 1 . . . . . . . . 4202 1 88 . 1 1 8 8 LEU HA H 1 4.30 . . 1 . . . . . . . . 4202 1 89 . 1 1 8 8 LEU CB C 13 42.7 . . 1 . . . . . . . . 4202 1 90 . 1 1 8 8 LEU HB2 H 1 1.36 . . 1 . . . . . . . . 4202 1 91 . 1 1 8 8 LEU HB3 H 1 1.46 . . 1 . . . . . . . . 4202 1 92 . 1 1 8 8 LEU CG C 13 26.1 . . 1 . . . . . . . . 4202 1 93 . 1 1 8 8 LEU HG H 1 0.92 . . 1 . . . . . . . . 4202 1 94 . 1 1 8 8 LEU CD1 C 13 23.6 . . 1 . . . . . . . . 4202 1 95 . 1 1 8 8 LEU HD11 H 1 0.64 . . 1 . . . . . . . . 4202 1 96 . 1 1 8 8 LEU HD12 H 1 0.64 . . 1 . . . . . . . . 4202 1 97 . 1 1 8 8 LEU HD13 H 1 0.64 . . 1 . . . . . . . . 4202 1 98 . 1 1 8 8 LEU CD2 C 13 23.6 . . 1 . . . . . . . . 4202 1 99 . 1 1 8 8 LEU HD21 H 1 0.52 . . 1 . . . . . . . . 4202 1 100 . 1 1 8 8 LEU HD22 H 1 0.52 . . 1 . . . . . . . . 4202 1 101 . 1 1 8 8 LEU HD23 H 1 0.52 . . 1 . . . . . . . . 4202 1 102 . 1 1 9 9 LYS N N 15 121.9 . . 1 . . . . . . . . 4202 1 103 . 1 1 9 9 LYS H H 1 8.52 . . 1 . . . . . . . . 4202 1 104 . 1 1 9 9 LYS C C 13 175.2 . . 1 . . . . . . . . 4202 1 105 . 1 1 9 9 LYS CA C 13 55.3 . . 1 . . . . . . . . 4202 1 106 . 1 1 9 9 LYS HA H 1 4.90 . . 1 . . . . . . . . 4202 1 107 . 1 1 9 9 LYS CB C 13 35.6 . . 1 . . . . . . . . 4202 1 108 . 1 1 9 9 LYS HB2 H 1 2.06 . . 1 . . . . . . . . 4202 1 109 . 1 1 9 9 LYS HB3 H 1 1.99 . . 1 . . . . . . . . 4202 1 110 . 1 1 9 9 LYS CG C 13 23.8 . . 1 . . . . . . . . 4202 1 111 . 1 1 9 9 LYS HG2 H 1 1.49 . . 2 . . . . . . . . 4202 1 112 . 1 1 9 9 LYS HG3 H 1 1.57 . . 2 . . . . . . . . 4202 1 113 . 1 1 9 9 LYS CD C 13 29.2 . . 1 . . . . . . . . 4202 1 114 . 1 1 9 9 LYS HD2 H 1 1.78 . . 1 . . . . . . . . 4202 1 115 . 1 1 9 9 LYS HD3 H 1 1.78 . . 1 . . . . . . . . 4202 1 116 . 1 1 9 9 LYS CE C 13 42.2 . . 1 . . . . . . . . 4202 1 117 . 1 1 9 9 LYS HE2 H 1 3.03 . . 1 . . . . . . . . 4202 1 118 . 1 1 9 9 LYS HE3 H 1 3.03 . . 1 . . . . . . . . 4202 1 119 . 1 1 10 10 GLY N N 15 112.0 . . 1 . . . . . . . . 4202 1 120 . 1 1 10 10 GLY H H 1 8.86 . . 1 . . . . . . . . 4202 1 121 . 1 1 10 10 GLY C C 13 173.3 . . 1 . . . . . . . . 4202 1 122 . 1 1 10 10 GLY CA C 13 45.7 . . 1 . . . . . . . . 4202 1 123 . 1 1 10 10 GLY HA2 H 1 4.26 . . 1 . . . . . . . . 4202 1 124 . 1 1 10 10 GLY HA3 H 1 4.88 . . 1 . . . . . . . . 4202 1 125 . 1 1 11 11 ASP N N 15 121.9 . . 1 . . . . . . . . 4202 1 126 . 1 1 11 11 ASP H H 1 8.62 . . 1 . . . . . . . . 4202 1 127 . 1 1 11 11 ASP C C 13 176.5 . . 1 . . . . . . . . 4202 1 128 . 1 1 11 11 ASP CA C 13 54.1 . . 1 . . . . . . . . 4202 1 129 . 1 1 11 11 ASP HA H 1 4.82 . . 1 . . . . . . . . 4202 1 130 . 1 1 11 11 ASP CB C 13 40.5 . . 1 . . . . . . . . 4202 1 131 . 1 1 11 11 ASP HB2 H 1 2.7 . . 1 . . . . . . . . 4202 1 132 . 1 1 11 11 ASP HB3 H 1 2.56 . . 1 . . . . . . . . 4202 1 133 . 1 1 12 12 GLY N N 15 110.7 . . 1 . . . . . . . . 4202 1 134 . 1 1 12 12 GLY H H 1 8.01 . . 1 . . . . . . . . 4202 1 135 . 1 1 12 12 GLY C C 13 173.6 . . 1 . . . . . . . . 4202 1 136 . 1 1 12 12 GLY CA C 13 44.4 . . 1 . . . . . . . . 4202 1 137 . 1 1 12 12 GLY HA2 H 1 4.30 . . 1 . . . . . . . . 4202 1 138 . 1 1 12 12 GLY HA3 H 1 4.20 . . 1 . . . . . . . . 4202 1 139 . 1 1 13 13 PRO C C 13 176.7 . . 1 . . . . . . . . 4202 1 140 . 1 1 13 13 PRO CA C 13 63.6 . . 1 . . . . . . . . 4202 1 141 . 1 1 13 13 PRO HA H 1 4.51 . . 1 . . . . . . . . 4202 1 142 . 1 1 13 13 PRO CB C 13 32.6 . . 1 . . . . . . . . 4202 1 143 . 1 1 13 13 PRO HB2 H 1 2.19 . . 1 . . . . . . . . 4202 1 144 . 1 1 13 13 PRO HB3 H 1 2.13 . . 1 . . . . . . . . 4202 1 145 . 1 1 13 13 PRO CG C 13 26.0 . . 1 . . . . . . . . 4202 1 146 . 1 1 13 13 PRO HG2 H 1 2.00 . . 2 . . . . . . . . 4202 1 147 . 1 1 13 13 PRO HG3 H 1 2.07 . . 2 . . . . . . . . 4202 1 148 . 1 1 13 13 PRO CD C 13 49.5 . . 1 . . . . . . . . 4202 1 149 . 1 1 13 13 PRO HD2 H 1 3.58 . . 2 . . . . . . . . 4202 1 150 . 1 1 13 13 PRO HD3 H 1 3.86 . . 2 . . . . . . . . 4202 1 151 . 1 1 14 14 VAL N N 15 121.3 . . 1 . . . . . . . . 4202 1 152 . 1 1 14 14 VAL H H 1 7.47 . . 1 . . . . . . . . 4202 1 153 . 1 1 14 14 VAL C C 13 176.0 . . 1 . . . . . . . . 4202 1 154 . 1 1 14 14 VAL CA C 13 63.0 . . 1 . . . . . . . . 4202 1 155 . 1 1 14 14 VAL HA H 1 4.51 . . 1 . . . . . . . . 4202 1 156 . 1 1 14 14 VAL CB C 13 30.3 . . 1 . . . . . . . . 4202 1 157 . 1 1 14 14 VAL HB H 1 1.64 . . 1 . . . . . . . . 4202 1 158 . 1 1 14 14 VAL CG1 C 13 22.1 . . 1 . . . . . . . . 4202 1 159 . 1 1 14 14 VAL HG11 H 1 0.75 . . 1 . . . . . . . . 4202 1 160 . 1 1 14 14 VAL HG12 H 1 0.75 . . 1 . . . . . . . . 4202 1 161 . 1 1 14 14 VAL HG13 H 1 0.75 . . 1 . . . . . . . . 4202 1 162 . 1 1 14 14 VAL CG2 C 13 19.7 . . 1 . . . . . . . . 4202 1 163 . 1 1 14 14 VAL HG21 H 1 0.45 . . 1 . . . . . . . . 4202 1 164 . 1 1 14 14 VAL HG22 H 1 0.45 . . 1 . . . . . . . . 4202 1 165 . 1 1 14 14 VAL HG23 H 1 0.45 . . 1 . . . . . . . . 4202 1 166 . 1 1 15 15 GLN N N 15 123.7 . . 1 . . . . . . . . 4202 1 167 . 1 1 15 15 GLN H H 1 8.02 . . 1 . . . . . . . . 4202 1 168 . 1 1 15 15 GLN C C 13 174.3 . . 1 . . . . . . . . 4202 1 169 . 1 1 15 15 GLN CA C 13 53.7 . . 1 . . . . . . . . 4202 1 170 . 1 1 15 15 GLN HA H 1 4.87 . . 1 . . . . . . . . 4202 1 171 . 1 1 15 15 GLN CB C 13 32.9 . . 1 . . . . . . . . 4202 1 172 . 1 1 15 15 GLN HB2 H 1 2.04 . . 1 . . . . . . . . 4202 1 173 . 1 1 15 15 GLN HB3 H 1 2.04 . . 1 . . . . . . . . 4202 1 174 . 1 1 15 15 GLN CG C 13 32.9 . . 1 . . . . . . . . 4202 1 175 . 1 1 15 15 GLN HG2 H 1 2.18 . . 2 . . . . . . . . 4202 1 176 . 1 1 15 15 GLN HG3 H 1 2.36 . . 2 . . . . . . . . 4202 1 177 . 1 1 16 16 GLY N N 15 107.9 . . 1 . . . . . . . . 4202 1 178 . 1 1 16 16 GLY H H 1 8.27 . . 1 . . . . . . . . 4202 1 179 . 1 1 16 16 GLY C C 13 171.0 . . 1 . . . . . . . . 4202 1 180 . 1 1 16 16 GLY CA C 13 46.9 . . 1 . . . . . . . . 4202 1 181 . 1 1 16 16 GLY HA2 H 1 4.45 . . 1 . . . . . . . . 4202 1 182 . 1 1 16 16 GLY HA3 H 1 4.56 . . 1 . . . . . . . . 4202 1 183 . 1 1 17 17 ILE N N 15 121.0 . . 1 . . . . . . . . 4202 1 184 . 1 1 17 17 ILE H H 1 8.07 . . 1 . . . . . . . . 4202 1 185 . 1 1 17 17 ILE C C 13 174.1 . . 1 . . . . . . . . 4202 1 186 . 1 1 17 17 ILE CA C 13 61.3 . . 1 . . . . . . . . 4202 1 187 . 1 1 17 17 ILE HA H 1 4.73 . . 1 . . . . . . . . 4202 1 188 . 1 1 17 17 ILE CB C 13 40.7 . . 1 . . . . . . . . 4202 1 189 . 1 1 17 17 ILE HB H 1 1.72 . . 1 . . . . . . . . 4202 1 190 . 1 1 17 17 ILE CG1 C 13 8.0 . . 1 . . . . . . . . 4202 1 191 . 1 1 17 17 ILE HG12 H 1 1.04 . . 2 . . . . . . . . 4202 1 192 . 1 1 17 17 ILE HG13 H 1 1.58 . . 2 . . . . . . . . 4202 1 193 . 1 1 17 17 ILE CG2 C 13 16.8 . . 1 . . . . . . . . 4202 1 194 . 1 1 17 17 ILE HG21 H 1 0.75 . . 1 . . . . . . . . 4202 1 195 . 1 1 17 17 ILE HG22 H 1 0.75 . . 1 . . . . . . . . 4202 1 196 . 1 1 17 17 ILE HG23 H 1 0.75 . . 1 . . . . . . . . 4202 1 197 . 1 1 17 17 ILE CD1 C 13 13.6 . . 1 . . . . . . . . 4202 1 198 . 1 1 17 17 ILE HD11 H 1 0.88 . . 1 . . . . . . . . 4202 1 199 . 1 1 17 17 ILE HD12 H 1 0.88 . . 1 . . . . . . . . 4202 1 200 . 1 1 17 17 ILE HD13 H 1 0.88 . . 1 . . . . . . . . 4202 1 201 . 1 1 18 18 ILE N N 15 127.1 . . 1 . . . . . . . . 4202 1 202 . 1 1 18 18 ILE H H 1 8.87 . . 1 . . . . . . . . 4202 1 203 . 1 1 18 18 ILE C C 13 172.5 . . 1 . . . . . . . . 4202 1 204 . 1 1 18 18 ILE CA C 13 56.9 . . 1 . . . . . . . . 4202 1 205 . 1 1 18 18 ILE HA H 1 4.22 . . 1 . . . . . . . . 4202 1 206 . 1 1 18 18 ILE CB C 13 37.6 . . 1 . . . . . . . . 4202 1 207 . 1 1 18 18 ILE HB H 1 1.68 . . 1 . . . . . . . . 4202 1 208 . 1 1 18 18 ILE HG12 H 1 1.34 . . 1 . . . . . . . . 4202 1 209 . 1 1 18 18 ILE HG13 H 1 1.34 . . 1 . . . . . . . . 4202 1 210 . 1 1 18 18 ILE HG21 H 1 0.43 . . 1 . . . . . . . . 4202 1 211 . 1 1 18 18 ILE HG22 H 1 0.43 . . 1 . . . . . . . . 4202 1 212 . 1 1 18 18 ILE HG23 H 1 0.43 . . 1 . . . . . . . . 4202 1 213 . 1 1 18 18 ILE HD11 H 1 0.17 . . 1 . . . . . . . . 4202 1 214 . 1 1 18 18 ILE HD12 H 1 0.17 . . 1 . . . . . . . . 4202 1 215 . 1 1 18 18 ILE HD13 H 1 0.17 . . 1 . . . . . . . . 4202 1 216 . 1 1 18 18 ILE CG1 C 13 25.6 . . 1 . . . . . . . . 4202 1 217 . 1 1 18 18 ILE CG2 C 13 20.9 . . 1 . . . . . . . . 4202 1 218 . 1 1 18 18 ILE CD1 C 13 18.8 . . 1 . . . . . . . . 4202 1 219 . 1 1 19 19 ASN N N 15 125.1 . . 1 . . . . . . . . 4202 1 220 . 1 1 19 19 ASN H H 1 8.81 . . 1 . . . . . . . . 4202 1 221 . 1 1 19 19 ASN C C 13 172.3 . . 1 . . . . . . . . 4202 1 222 . 1 1 19 19 ASN CA C 13 52.5 . . 1 . . . . . . . . 4202 1 223 . 1 1 19 19 ASN HA H 1 4.82 . . 1 . . . . . . . . 4202 1 224 . 1 1 19 19 ASN CB C 13 40.2 . . 1 . . . . . . . . 4202 1 225 . 1 1 19 19 ASN HB2 H 1 0.32 . . 1 . . . . . . . . 4202 1 226 . 1 1 19 19 ASN HB3 H 1 1.49 . . 1 . . . . . . . . 4202 1 227 . 1 1 20 20 PHE N N 15 115.5 . . 1 . . . . . . . . 4202 1 228 . 1 1 20 20 PHE H H 1 8.52 . . 1 . . . . . . . . 4202 1 229 . 1 1 20 20 PHE C C 13 176.3 . . 1 . . . . . . . . 4202 1 230 . 1 1 20 20 PHE CA C 13 55.5 . . 1 . . . . . . . . 4202 1 231 . 1 1 20 20 PHE HA H 1 5.80 . . 1 . . . . . . . . 4202 1 232 . 1 1 20 20 PHE CB C 13 43.2 . . 1 . . . . . . . . 4202 1 233 . 1 1 20 20 PHE HB2 H 1 2.69 . . 1 . . . . . . . . 4202 1 234 . 1 1 20 20 PHE HB3 H 1 2.69 . . 1 . . . . . . . . 4202 1 235 . 1 1 20 20 PHE HD1 H 1 6.83 . . 2 . . . . . . . . 4202 1 236 . 1 1 20 20 PHE HD2 H 1 6.85 . . 2 . . . . . . . . 4202 1 237 . 1 1 20 20 PHE HE1 H 1 7.9 . . 1 . . . . . . . . 4202 1 238 . 1 1 20 20 PHE HE2 H 1 7.9 . . 1 . . . . . . . . 4202 1 239 . 1 1 21 21 GLU N N 15 122.5 . . 1 . . . . . . . . 4202 1 240 . 1 1 21 21 GLU H H 1 9.57 . . 1 . . . . . . . . 4202 1 241 . 1 1 21 21 GLU C C 13 173.7 . . 1 . . . . . . . . 4202 1 242 . 1 1 21 21 GLU CA C 13 56.0 . . 1 . . . . . . . . 4202 1 243 . 1 1 21 21 GLU HA H 1 5.39 . . 1 . . . . . . . . 4202 1 244 . 1 1 21 21 GLU CB C 13 34.2 . . 1 . . . . . . . . 4202 1 245 . 1 1 21 21 GLU HB2 H 1 2.39 . . 1 . . . . . . . . 4202 1 246 . 1 1 21 21 GLU HB3 H 1 2.29 . . 1 . . . . . . . . 4202 1 247 . 1 1 21 21 GLU HG2 H 1 2.16 . . 1 . . . . . . . . 4202 1 248 . 1 1 21 21 GLU HG3 H 1 2.16 . . 1 . . . . . . . . 4202 1 249 . 1 1 21 21 GLU CG C 13 37.2 . . 1 . . . . . . . . 4202 1 250 . 1 1 22 22 GLN N N 15 129.9 . . 1 . . . . . . . . 4202 1 251 . 1 1 22 22 GLN H H 1 9.23 . . 1 . . . . . . . . 4202 1 252 . 1 1 22 22 GLN C C 13 174.6 . . 1 . . . . . . . . 4202 1 253 . 1 1 22 22 GLN CA C 13 54.5 . . 1 . . . . . . . . 4202 1 254 . 1 1 22 22 GLN HA H 1 4.96 . . 1 . . . . . . . . 4202 1 255 . 1 1 22 22 GLN CB C 13 33.1 . . 1 . . . . . . . . 4202 1 256 . 1 1 22 22 GLN HB2 H 1 2.29 . . 1 . . . . . . . . 4202 1 257 . 1 1 22 22 GLN HB3 H 1 2.29 . . 1 . . . . . . . . 4202 1 258 . 1 1 22 22 GLN HG2 H 1 2.47 . . 1 . . . . . . . . 4202 1 259 . 1 1 22 22 GLN HG3 H 1 2.47 . . 1 . . . . . . . . 4202 1 260 . 1 1 22 22 GLN HE21 H 1 7.36 . . 2 . . . . . . . . 4202 1 261 . 1 1 22 22 GLN HE22 H 1 8.39 . . 2 . . . . . . . . 4202 1 262 . 1 1 22 22 GLN CG C 13 33.1 . . 1 . . . . . . . . 4202 1 263 . 1 1 22 22 GLN NE2 N 15 115.9 . . 1 . . . . . . . . 4202 1 264 . 1 1 23 23 LYS C C 13 176.2 . . 1 . . . . . . . . 4202 1 265 . 1 1 23 23 LYS CA C 13 59.9 . . 1 . . . . . . . . 4202 1 266 . 1 1 23 23 LYS HA H 1 4.07 . . 1 . . . . . . . . 4202 1 267 . 1 1 23 23 LYS CB C 13 33.4 . . 1 . . . . . . . . 4202 1 268 . 1 1 23 23 LYS HB2 H 1 1.95 . . 1 . . . . . . . . 4202 1 269 . 1 1 23 23 LYS HB3 H 1 1.95 . . 1 . . . . . . . . 4202 1 270 . 1 1 23 23 LYS HG2 H 1 1.50 . . 2 . . . . . . . . 4202 1 271 . 1 1 23 23 LYS HG3 H 1 1.63 . . 2 . . . . . . . . 4202 1 272 . 1 1 23 23 LYS HD2 H 1 1.75 . . 1 . . . . . . . . 4202 1 273 . 1 1 23 23 LYS HD3 H 1 1.75 . . 1 . . . . . . . . 4202 1 274 . 1 1 23 23 LYS HE2 H 1 3.02 . . 1 . . . . . . . . 4202 1 275 . 1 1 23 23 LYS HE3 H 1 3.02 . . 1 . . . . . . . . 4202 1 276 . 1 1 23 23 LYS CG C 13 25.7 . . 1 . . . . . . . . 4202 1 277 . 1 1 23 23 LYS CD C 13 29.4 . . 1 . . . . . . . . 4202 1 278 . 1 1 23 23 LYS CE C 13 41.9 . . 1 . . . . . . . . 4202 1 279 . 1 1 24 24 GLU N N 15 116.3 . . 1 . . . . . . . . 4202 1 280 . 1 1 24 24 GLU H H 1 8.20 . . 1 . . . . . . . . 4202 1 281 . 1 1 24 24 GLU C C 13 177.2 . . 1 . . . . . . . . 4202 1 282 . 1 1 24 24 GLU CA C 13 54.3 . . 1 . . . . . . . . 4202 1 283 . 1 1 24 24 GLU HA H 1 4.66 . . 1 . . . . . . . . 4202 1 284 . 1 1 24 24 GLU CB C 13 32.4 . . 1 . . . . . . . . 4202 1 285 . 1 1 24 24 GLU HB2 H 1 2.16 . . 1 . . . . . . . . 4202 1 286 . 1 1 24 24 GLU HB3 H 1 1.84 . . 1 . . . . . . . . 4202 1 287 . 1 1 24 24 GLU HG2 H 1 2.22 . . 1 . . . . . . . . 4202 1 288 . 1 1 24 24 GLU HG3 H 1 2.22 . . 1 . . . . . . . . 4202 1 289 . 1 1 24 24 GLU CG C 13 35.4 . . 1 . . . . . . . . 4202 1 290 . 1 1 25 25 SER H H 1 8.41 . . 1 . . . . . . . . 4202 1 291 . 1 1 25 25 SER C C 13 174.7 . . 1 . . . . . . . . 4202 1 292 . 1 1 25 25 SER CA C 13 60.6 . . 1 . . . . . . . . 4202 1 293 . 1 1 25 25 SER HA H 1 3.98 . . 1 . . . . . . . . 4202 1 294 . 1 1 25 25 SER CB C 13 62.5 . . 1 . . . . . . . . 4202 1 295 . 1 1 25 25 SER HB2 H 1 3.8 . . 1 . . . . . . . . 4202 1 296 . 1 1 25 25 SER HB3 H 1 3.8 . . 1 . . . . . . . . 4202 1 297 . 1 1 26 26 ASN N N 15 117.8 . . 1 . . . . . . . . 4202 1 298 . 1 1 26 26 ASN H H 1 8.40 . . 1 . . . . . . . . 4202 1 299 . 1 1 26 26 ASN C C 13 175.0 . . 1 . . . . . . . . 4202 1 300 . 1 1 26 26 ASN CA C 13 53.2 . . 1 . . . . . . . . 4202 1 301 . 1 1 26 26 ASN HA H 1 4.68 . . 1 . . . . . . . . 4202 1 302 . 1 1 26 26 ASN CB C 13 38.0 . . 1 . . . . . . . . 4202 1 303 . 1 1 26 26 ASN HB2 H 1 2.93 . . 1 . . . . . . . . 4202 1 304 . 1 1 26 26 ASN HB3 H 1 2.93 . . 1 . . . . . . . . 4202 1 305 . 1 1 26 26 ASN HD21 H 1 6.89 . . 2 . . . . . . . . 4202 1 306 . 1 1 26 26 ASN HD22 H 1 7.60 . . 2 . . . . . . . . 4202 1 307 . 1 1 26 26 ASN ND2 N 15 113.5 . . 1 . . . . . . . . 4202 1 308 . 1 1 27 27 GLY N N 15 108.3 . . 1 . . . . . . . . 4202 1 309 . 1 1 27 27 GLY H H 1 8.00 . . 1 . . . . . . . . 4202 1 310 . 1 1 27 27 GLY C C 13 172.1 . . 1 . . . . . . . . 4202 1 311 . 1 1 27 27 GLY CA C 13 44.8 . . 1 . . . . . . . . 4202 1 312 . 1 1 27 27 GLY HA2 H 1 4.02 . . 1 . . . . . . . . 4202 1 313 . 1 1 27 27 GLY HA3 H 1 4.58 . . 1 . . . . . . . . 4202 1 314 . 1 1 28 28 PRO C C 13 176.2 . . 1 . . . . . . . . 4202 1 315 . 1 1 28 28 PRO CA C 13 63.1 . . 1 . . . . . . . . 4202 1 316 . 1 1 28 28 PRO HA H 1 4.62 . . 1 . . . . . . . . 4202 1 317 . 1 1 28 28 PRO CB C 13 32.4 . . 1 . . . . . . . . 4202 1 318 . 1 1 28 28 PRO HB2 H 1 2.22 . . 1 . . . . . . . . 4202 1 319 . 1 1 28 28 PRO HB3 H 1 1.78 . . 1 . . . . . . . . 4202 1 320 . 1 1 28 28 PRO HG2 H 1 2.04 . . 1 . . . . . . . . 4202 1 321 . 1 1 28 28 PRO HG3 H 1 2.04 . . 1 . . . . . . . . 4202 1 322 . 1 1 28 28 PRO HD2 H 1 3.72 . . 1 . . . . . . . . 4202 1 323 . 1 1 28 28 PRO HD3 H 1 3.72 . . 1 . . . . . . . . 4202 1 324 . 1 1 28 28 PRO CG C 13 27.0 . . 1 . . . . . . . . 4202 1 325 . 1 1 28 28 PRO CD C 13 49.4 . . 1 . . . . . . . . 4202 1 326 . 1 1 29 29 VAL N N 15 122.0 . . 1 . . . . . . . . 4202 1 327 . 1 1 29 29 VAL H H 1 9.09 . . 1 . . . . . . . . 4202 1 328 . 1 1 29 29 VAL C C 13 175.4 . . 1 . . . . . . . . 4202 1 329 . 1 1 29 29 VAL CA C 13 61.0 . . 1 . . . . . . . . 4202 1 330 . 1 1 29 29 VAL HA H 1 4.60 . . 1 . . . . . . . . 4202 1 331 . 1 1 29 29 VAL CB C 13 33.3 . . 1 . . . . . . . . 4202 1 332 . 1 1 29 29 VAL HB H 1 2.16 . . 1 . . . . . . . . 4202 1 333 . 1 1 29 29 VAL HG11 H 1 1.02 . . 1 . . . . . . . . 4202 1 334 . 1 1 29 29 VAL HG12 H 1 1.02 . . 1 . . . . . . . . 4202 1 335 . 1 1 29 29 VAL HG13 H 1 1.02 . . 1 . . . . . . . . 4202 1 336 . 1 1 29 29 VAL HG21 H 1 0.91 . . 1 . . . . . . . . 4202 1 337 . 1 1 29 29 VAL HG22 H 1 0.91 . . 1 . . . . . . . . 4202 1 338 . 1 1 29 29 VAL HG23 H 1 0.91 . . 1 . . . . . . . . 4202 1 339 . 1 1 29 29 VAL CG1 C 13 23.2 . . 1 . . . . . . . . 4202 1 340 . 1 1 29 29 VAL CG2 C 13 23.7 . . 1 . . . . . . . . 4202 1 341 . 1 1 30 30 LYS N N 15 128.5 . . 1 . . . . . . . . 4202 1 342 . 1 1 30 30 LYS H H 1 9.19 . . 1 . . . . . . . . 4202 1 343 . 1 1 30 30 LYS C C 13 175.3 . . 1 . . . . . . . . 4202 1 344 . 1 1 30 30 LYS CA C 13 55.9 . . 1 . . . . . . . . 4202 1 345 . 1 1 30 30 LYS HA H 1 4.99 . . 1 . . . . . . . . 4202 1 346 . 1 1 30 30 LYS CB C 13 34.2 . . 1 . . . . . . . . 4202 1 347 . 1 1 30 30 LYS HB2 H 1 2.07 . . 1 . . . . . . . . 4202 1 348 . 1 1 30 30 LYS HB3 H 1 1.98 . . 1 . . . . . . . . 4202 1 349 . 1 1 30 30 LYS HE2 H 1 2.63 . . 2 . . . . . . . . 4202 1 350 . 1 1 30 30 LYS HE3 H 1 2.72 . . 2 . . . . . . . . 4202 1 351 . 1 1 30 30 LYS CE C 13 41.7 . . 1 . . . . . . . . 4202 1 352 . 1 1 31 31 VAL N N 15 127.3 . . 1 . . . . . . . . 4202 1 353 . 1 1 31 31 VAL H H 1 9.30 . . 1 . . . . . . . . 4202 1 354 . 1 1 31 31 VAL C C 13 175.5 . . 1 . . . . . . . . 4202 1 355 . 1 1 31 31 VAL CA C 13 60.5 . . 1 . . . . . . . . 4202 1 356 . 1 1 31 31 VAL HA H 1 4.94 . . 1 . . . . . . . . 4202 1 357 . 1 1 31 31 VAL CB C 13 33.4 . . 1 . . . . . . . . 4202 1 358 . 1 1 31 31 VAL HB H 1 2.10 . . 1 . . . . . . . . 4202 1 359 . 1 1 31 31 VAL HG11 H 1 0.88 . . 1 . . . . . . . . 4202 1 360 . 1 1 31 31 VAL HG12 H 1 0.88 . . 1 . . . . . . . . 4202 1 361 . 1 1 31 31 VAL HG13 H 1 0.88 . . 1 . . . . . . . . 4202 1 362 . 1 1 31 31 VAL HG21 H 1 0.29 . . 1 . . . . . . . . 4202 1 363 . 1 1 31 31 VAL HG22 H 1 0.29 . . 1 . . . . . . . . 4202 1 364 . 1 1 31 31 VAL HG23 H 1 0.29 . . 1 . . . . . . . . 4202 1 365 . 1 1 31 31 VAL CG1 C 13 20.1 . . 1 . . . . . . . . 4202 1 366 . 1 1 31 31 VAL CG2 C 13 20.8 . . 1 . . . . . . . . 4202 1 367 . 1 1 32 32 TRP N N 15 126.4 . . 1 . . . . . . . . 4202 1 368 . 1 1 32 32 TRP H H 1 9.04 . . 1 . . . . . . . . 4202 1 369 . 1 1 32 32 TRP C C 13 173.4 . . 1 . . . . . . . . 4202 1 370 . 1 1 32 32 TRP CA C 13 56.2 . . 1 . . . . . . . . 4202 1 371 . 1 1 32 32 TRP HA H 1 5.60 . . 1 . . . . . . . . 4202 1 372 . 1 1 32 32 TRP CB C 13 32.1 . . 1 . . . . . . . . 4202 1 373 . 1 1 32 32 TRP HB2 H 1 3.34 . . 1 . . . . . . . . 4202 1 374 . 1 1 32 32 TRP HB3 H 1 3.49 . . 1 . . . . . . . . 4202 1 375 . 1 1 32 32 TRP HD1 H 1 7.11 . . 1 . . . . . . . . 4202 1 376 . 1 1 32 32 TRP HE1 H 1 10.32 . . 1 . . . . . . . . 4202 1 377 . 1 1 32 32 TRP HE3 H 1 7.33 . . 1 . . . . . . . . 4202 1 378 . 1 1 32 32 TRP HZ2 H 1 7.43 . . 1 . . . . . . . . 4202 1 379 . 1 1 32 32 TRP HZ3 H 1 6.97 . . 1 . . . . . . . . 4202 1 380 . 1 1 32 32 TRP HH2 H 1 7.15 . . 1 . . . . . . . . 4202 1 381 . 1 1 33 33 GLY N N 15 109.0 . . 1 . . . . . . . . 4202 1 382 . 1 1 33 33 GLY H H 1 8.46 . . 1 . . . . . . . . 4202 1 383 . 1 1 33 33 GLY C C 13 171.5 . . 1 . . . . . . . . 4202 1 384 . 1 1 33 33 GLY CA C 13 44.8 . . 1 . . . . . . . . 4202 1 385 . 1 1 33 33 GLY HA2 H 1 3.90 . . 1 . . . . . . . . 4202 1 386 . 1 1 33 33 GLY HA3 H 1 4.99 . . 1 . . . . . . . . 4202 1 387 . 1 1 34 34 SER N N 15 114.7 . . 1 . . . . . . . . 4202 1 388 . 1 1 34 34 SER H H 1 7.91 . . 1 . . . . . . . . 4202 1 389 . 1 1 34 34 SER C C 13 173.0 . . 1 . . . . . . . . 4202 1 390 . 1 1 34 34 SER CA C 13 56.7 . . 1 . . . . . . . . 4202 1 391 . 1 1 34 34 SER HA H 1 5.56 . . 1 . . . . . . . . 4202 1 392 . 1 1 34 34 SER CB C 13 65.2 . . 1 . . . . . . . . 4202 1 393 . 1 1 34 34 SER HB2 H 1 3.73 . . 1 . . . . . . . . 4202 1 394 . 1 1 34 34 SER HB3 H 1 3.78 . . 1 . . . . . . . . 4202 1 395 . 1 1 35 35 ILE N N 15 124.1 . . 1 . . . . . . . . 4202 1 396 . 1 1 35 35 ILE H H 1 8.58 . . 1 . . . . . . . . 4202 1 397 . 1 1 35 35 ILE C C 13 173.0 . . 1 . . . . . . . . 4202 1 398 . 1 1 35 35 ILE CA C 13 60.3 . . 1 . . . . . . . . 4202 1 399 . 1 1 35 35 ILE HA H 1 4.59 . . 1 . . . . . . . . 4202 1 400 . 1 1 35 35 ILE CB C 13 41.1 . . 1 . . . . . . . . 4202 1 401 . 1 1 35 35 ILE HB H 1 1.47 . . 1 . . . . . . . . 4202 1 402 . 1 1 35 35 ILE HG12 H 1 1.30 . . 1 . . . . . . . . 4202 1 403 . 1 1 35 35 ILE HG13 H 1 1.30 . . 1 . . . . . . . . 4202 1 404 . 1 1 35 35 ILE HG21 H 1 0.65 . . 1 . . . . . . . . 4202 1 405 . 1 1 35 35 ILE HG22 H 1 0.65 . . 1 . . . . . . . . 4202 1 406 . 1 1 35 35 ILE HG23 H 1 0.65 . . 1 . . . . . . . . 4202 1 407 . 1 1 35 35 ILE HD11 H 1 0.47 . . 1 . . . . . . . . 4202 1 408 . 1 1 35 35 ILE HD12 H 1 0.47 . . 1 . . . . . . . . 4202 1 409 . 1 1 35 35 ILE HD13 H 1 0.47 . . 1 . . . . . . . . 4202 1 410 . 1 1 35 35 ILE CG1 C 13 18.9 . . 1 . . . . . . . . 4202 1 411 . 1 1 35 35 ILE CG2 C 13 27.3 . . 1 . . . . . . . . 4202 1 412 . 1 1 35 35 ILE CD1 C 13 14.5 . . 1 . . . . . . . . 4202 1 413 . 1 1 36 36 LYS N N 15 125.1 . . 1 . . . . . . . . 4202 1 414 . 1 1 36 36 LYS H H 1 9.11 . . 1 . . . . . . . . 4202 1 415 . 1 1 36 36 LYS C C 13 175.5 . . 1 . . . . . . . . 4202 1 416 . 1 1 36 36 LYS CA C 13 54.6 . . 1 . . . . . . . . 4202 1 417 . 1 1 36 36 LYS HA H 1 5.33 . . 1 . . . . . . . . 4202 1 418 . 1 1 36 36 LYS CB C 13 35.1 . . 1 . . . . . . . . 4202 1 419 . 1 1 36 36 LYS HB2 H 1 1.85 . . 1 . . . . . . . . 4202 1 420 . 1 1 36 36 LYS HB3 H 1 1.85 . . 1 . . . . . . . . 4202 1 421 . 1 1 36 36 LYS HG2 H 1 1.38 . . 1 . . . . . . . . 4202 1 422 . 1 1 36 36 LYS HG3 H 1 1.38 . . 1 . . . . . . . . 4202 1 423 . 1 1 36 36 LYS HD2 H 1 1.63 . . 1 . . . . . . . . 4202 1 424 . 1 1 36 36 LYS HD3 H 1 1.63 . . 1 . . . . . . . . 4202 1 425 . 1 1 36 36 LYS HE2 H 1 2.93 . . 1 . . . . . . . . 4202 1 426 . 1 1 36 36 LYS HE3 H 1 2.93 . . 1 . . . . . . . . 4202 1 427 . 1 1 36 36 LYS CG C 13 24.4 . . 1 . . . . . . . . 4202 1 428 . 1 1 36 36 LYS CD C 13 29.4 . . 1 . . . . . . . . 4202 1 429 . 1 1 36 36 LYS CE C 13 42.0 . . 1 . . . . . . . . 4202 1 430 . 1 1 37 37 GLY N N 15 106.7 . . 1 . . . . . . . . 4202 1 431 . 1 1 37 37 GLY H H 1 8.25 . . 1 . . . . . . . . 4202 1 432 . 1 1 37 37 GLY C C 13 174.9 . . 1 . . . . . . . . 4202 1 433 . 1 1 37 37 GLY CA C 13 45.6 . . 1 . . . . . . . . 4202 1 434 . 1 1 37 37 GLY HA2 H 1 3.84 . . 1 . . . . . . . . 4202 1 435 . 1 1 37 37 GLY HA3 H 1 4.00 . . 1 . . . . . . . . 4202 1 436 . 1 1 38 38 LEU N N 15 121.6 . . 1 . . . . . . . . 4202 1 437 . 1 1 38 38 LEU H H 1 8.17 . . 1 . . . . . . . . 4202 1 438 . 1 1 38 38 LEU C C 13 177.0 . . 1 . . . . . . . . 4202 1 439 . 1 1 38 38 LEU CA C 13 53.5 . . 1 . . . . . . . . 4202 1 440 . 1 1 38 38 LEU HA H 1 3.98 . . 1 . . . . . . . . 4202 1 441 . 1 1 38 38 LEU CB C 13 44.3 . . 1 . . . . . . . . 4202 1 442 . 1 1 38 38 LEU HB2 H 1 1.29 . . 1 . . . . . . . . 4202 1 443 . 1 1 38 38 LEU HB3 H 1 0.55 . . 1 . . . . . . . . 4202 1 444 . 1 1 38 38 LEU HG H 1 0.31 . . 1 . . . . . . . . 4202 1 445 . 1 1 38 38 LEU HD11 H 1 -0.02 . . 1 . . . . . . . . 4202 1 446 . 1 1 38 38 LEU HD12 H 1 -0.02 . . 1 . . . . . . . . 4202 1 447 . 1 1 38 38 LEU HD13 H 1 -0.02 . . 1 . . . . . . . . 4202 1 448 . 1 1 38 38 LEU HD21 H 1 -0.02 . . 1 . . . . . . . . 4202 1 449 . 1 1 38 38 LEU HD22 H 1 -0.02 . . 1 . . . . . . . . 4202 1 450 . 1 1 38 38 LEU HD23 H 1 -0.02 . . 1 . . . . . . . . 4202 1 451 . 1 1 38 38 LEU CG C 13 26.4 . . 1 . . . . . . . . 4202 1 452 . 1 1 38 38 LEU CD1 C 13 23.2 . . 1 . . . . . . . . 4202 1 453 . 1 1 38 38 LEU CD2 C 13 23.2 . . 1 . . . . . . . . 4202 1 454 . 1 1 39 39 THR N N 15 111.1 . . 1 . . . . . . . . 4202 1 455 . 1 1 39 39 THR H H 1 8.50 . . 1 . . . . . . . . 4202 1 456 . 1 1 39 39 THR C C 13 176.1 . . 1 . . . . . . . . 4202 1 457 . 1 1 39 39 THR CA C 13 61.2 . . 1 . . . . . . . . 4202 1 458 . 1 1 39 39 THR HA H 1 4.20 . . 1 . . . . . . . . 4202 1 459 . 1 1 39 39 THR CB C 13 69.5 . . 1 . . . . . . . . 4202 1 460 . 1 1 39 39 THR HB H 1 4.34 . . 1 . . . . . . . . 4202 1 461 . 1 1 39 39 THR HG21 H 1 1.38 . . 1 . . . . . . . . 4202 1 462 . 1 1 39 39 THR HG22 H 1 1.38 . . 1 . . . . . . . . 4202 1 463 . 1 1 39 39 THR HG23 H 1 1.38 . . 1 . . . . . . . . 4202 1 464 . 1 1 39 39 THR CG2 C 13 22.5 . . 1 . . . . . . . . 4202 1 465 . 1 1 40 40 GLU N N 15 126.8 . . 1 . . . . . . . . 4202 1 466 . 1 1 40 40 GLU H H 1 8.81 . . 1 . . . . . . . . 4202 1 467 . 1 1 40 40 GLU C C 13 176.2 . . 1 . . . . . . . . 4202 1 468 . 1 1 40 40 GLU CA C 13 57.7 . . 1 . . . . . . . . 4202 1 469 . 1 1 40 40 GLU HA H 1 3.69 . . 1 . . . . . . . . 4202 1 470 . 1 1 40 40 GLU CB C 13 30.2 . . 1 . . . . . . . . 4202 1 471 . 1 1 40 40 GLU HB2 H 1 1.88 . . 1 . . . . . . . . 4202 1 472 . 1 1 40 40 GLU HB3 H 1 2.11 . . 1 . . . . . . . . 4202 1 473 . 1 1 40 40 GLU HG2 H 1 2.38 . . 1 . . . . . . . . 4202 1 474 . 1 1 40 40 GLU HG3 H 1 2.38 . . 1 . . . . . . . . 4202 1 475 . 1 1 40 40 GLU CG C 13 34.9 . . 1 . . . . . . . . 4202 1 476 . 1 1 41 41 GLY N N 15 114.7 . . 1 . . . . . . . . 4202 1 477 . 1 1 41 41 GLY H H 1 8.79 . . 1 . . . . . . . . 4202 1 478 . 1 1 41 41 GLY C C 13 173.2 . . 1 . . . . . . . . 4202 1 479 . 1 1 41 41 GLY CA C 13 43.3 . . 1 . . . . . . . . 4202 1 480 . 1 1 41 41 GLY HA2 H 1 3.78 . . 1 . . . . . . . . 4202 1 481 . 1 1 41 41 GLY HA3 H 1 4.68 . . 1 . . . . . . . . 4202 1 482 . 1 1 42 42 LEU N N 15 121.1 . . 1 . . . . . . . . 4202 1 483 . 1 1 42 42 LEU H H 1 8.30 . . 1 . . . . . . . . 4202 1 484 . 1 1 42 42 LEU C C 13 177.4 . . 1 . . . . . . . . 4202 1 485 . 1 1 42 42 LEU CA C 13 55.8 . . 1 . . . . . . . . 4202 1 486 . 1 1 42 42 LEU HA H 1 4.81 . . 1 . . . . . . . . 4202 1 487 . 1 1 42 42 LEU CB C 13 44.2 . . 1 . . . . . . . . 4202 1 488 . 1 1 42 42 LEU HB2 H 1 1.63 . . 1 . . . . . . . . 4202 1 489 . 1 1 42 42 LEU HB3 H 1 1.63 . . 1 . . . . . . . . 4202 1 490 . 1 1 42 42 LEU HG H 1 1.04 . . 1 . . . . . . . . 4202 1 491 . 1 1 42 42 LEU HD11 H 1 0.81 . . 1 . . . . . . . . 4202 1 492 . 1 1 42 42 LEU HD12 H 1 0.81 . . 1 . . . . . . . . 4202 1 493 . 1 1 42 42 LEU HD13 H 1 0.81 . . 1 . . . . . . . . 4202 1 494 . 1 1 42 42 LEU HD21 H 1 0.85 . . 1 . . . . . . . . 4202 1 495 . 1 1 42 42 LEU HD22 H 1 0.85 . . 1 . . . . . . . . 4202 1 496 . 1 1 42 42 LEU HD23 H 1 0.85 . . 1 . . . . . . . . 4202 1 497 . 1 1 42 42 LEU CG C 13 27.6 . . 1 . . . . . . . . 4202 1 498 . 1 1 42 42 LEU CD1 C 13 25.1 . . 1 . . . . . . . . 4202 1 499 . 1 1 42 42 LEU CD2 C 13 24.1 . . 1 . . . . . . . . 4202 1 500 . 1 1 43 43 HIS N N 15 115.7 . . 1 . . . . . . . . 4202 1 501 . 1 1 43 43 HIS H H 1 8.76 . . 1 . . . . . . . . 4202 1 502 . 1 1 43 43 HIS C C 13 164.7 . . 1 . . . . . . . . 4202 1 503 . 1 1 43 43 HIS CA C 13 54.3 . . 1 . . . . . . . . 4202 1 504 . 1 1 43 43 HIS HA H 1 4.33 . . 1 . . . . . . . . 4202 1 505 . 1 1 43 43 HIS CB C 13 31.6 . . 1 . . . . . . . . 4202 1 506 . 1 1 43 43 HIS HB2 H 1 3.53 . . 1 . . . . . . . . 4202 1 507 . 1 1 43 43 HIS HB3 H 1 2.57 . . 1 . . . . . . . . 4202 1 508 . 1 1 43 43 HIS HD1 H 1 13.0 . . 1 . . . . . . . . 4202 1 509 . 1 1 43 43 HIS HD2 H 1 7.08 . . 1 . . . . . . . . 4202 1 510 . 1 1 43 43 HIS HE1 H 1 8.59 . . 1 . . . . . . . . 4202 1 511 . 1 1 43 43 HIS HE2 H 1 14.1 . . 1 . . . . . . . . 4202 1 512 . 1 1 44 44 GLY N N 15 110.5 . . 1 . . . . . . . . 4202 1 513 . 1 1 44 44 GLY H H 1 8.96 . . 1 . . . . . . . . 4202 1 514 . 1 1 44 44 GLY C C 13 171.8 . . 1 . . . . . . . . 4202 1 515 . 1 1 44 44 GLY CA C 13 47.4 . . 1 . . . . . . . . 4202 1 516 . 1 1 44 44 GLY HA2 H 1 3.21 . . 1 . . . . . . . . 4202 1 517 . 1 1 44 44 GLY HA3 H 1 4.68 . . 1 . . . . . . . . 4202 1 518 . 1 1 45 45 PHE N N 15 127.1 . . 1 . . . . . . . . 4202 1 519 . 1 1 45 45 PHE H H 1 8.17 . . 1 . . . . . . . . 4202 1 520 . 1 1 45 45 PHE C C 13 172.3 . . 1 . . . . . . . . 4202 1 521 . 1 1 45 45 PHE CA C 13 56.0 . . 1 . . . . . . . . 4202 1 522 . 1 1 45 45 PHE HA H 1 5.61 . . 1 . . . . . . . . 4202 1 523 . 1 1 45 45 PHE CB C 13 42.6 . . 1 . . . . . . . . 4202 1 524 . 1 1 45 45 PHE HB2 H 1 2.73 . . 1 . . . . . . . . 4202 1 525 . 1 1 45 45 PHE HB3 H 1 2.93 . . 1 . . . . . . . . 4202 1 526 . 1 1 45 45 PHE HE1 H 1 6.75 . . 1 . . . . . . . . 4202 1 527 . 1 1 45 45 PHE HE2 H 1 6.75 . . 1 . . . . . . . . 4202 1 528 . 1 1 45 45 PHE HZ H 1 7.09 . . 1 . . . . . . . . 4202 1 529 . 1 1 46 46 HIS N N 15 116.8 . . 1 . . . . . . . . 4202 1 530 . 1 1 46 46 HIS H H 1 8.25 . . 1 . . . . . . . . 4202 1 531 . 1 1 46 46 HIS C C 13 175.2 . . 1 . . . . . . . . 4202 1 532 . 1 1 46 46 HIS CA C 13 52.3 . . 1 . . . . . . . . 4202 1 533 . 1 1 46 46 HIS HA H 1 5.65 . . 1 . . . . . . . . 4202 1 534 . 1 1 46 46 HIS CB C 13 36.4 . . 1 . . . . . . . . 4202 1 535 . 1 1 46 46 HIS HB2 H 1 2.73 . . 1 . . . . . . . . 4202 1 536 . 1 1 46 46 HIS HB3 H 1 3.07 . . 1 . . . . . . . . 4202 1 537 . 1 1 46 46 HIS HD2 H 1 7.08 . . 1 . . . . . . . . 4202 1 538 . 1 1 46 46 HIS HE1 H 1 6.77 . . 1 . . . . . . . . 4202 1 539 . 1 1 46 46 HIS HE2 H 1 13.4 . . 1 . . . . . . . . 4202 1 540 . 1 1 46 46 HIS ND1 N 15 234.6 . . 1 . . . . . . . . 4202 1 541 . 1 1 46 46 HIS NE2 N 15 178.0 . . 1 . . . . . . . . 4202 1 542 . 1 1 47 47 VAL N N 15 121.1 . . 1 . . . . . . . . 4202 1 543 . 1 1 47 47 VAL H H 1 9.41 . . 1 . . . . . . . . 4202 1 544 . 1 1 47 47 VAL C C 13 176.8 . . 1 . . . . . . . . 4202 1 545 . 1 1 47 47 VAL CA C 13 62.2 . . 1 . . . . . . . . 4202 1 546 . 1 1 47 47 VAL HA H 1 4.62 . . 1 . . . . . . . . 4202 1 547 . 1 1 47 47 VAL CB C 13 32.4 . . 1 . . . . . . . . 4202 1 548 . 1 1 47 47 VAL HB H 1 2.05 . . 1 . . . . . . . . 4202 1 549 . 1 1 47 47 VAL HG11 H 1 0.87 . . 1 . . . . . . . . 4202 1 550 . 1 1 47 47 VAL HG12 H 1 0.87 . . 1 . . . . . . . . 4202 1 551 . 1 1 47 47 VAL HG13 H 1 0.87 . . 1 . . . . . . . . 4202 1 552 . 1 1 47 47 VAL HG21 H 1 0.85 . . 1 . . . . . . . . 4202 1 553 . 1 1 47 47 VAL HG22 H 1 0.85 . . 1 . . . . . . . . 4202 1 554 . 1 1 47 47 VAL HG23 H 1 0.85 . . 1 . . . . . . . . 4202 1 555 . 1 1 47 47 VAL CG1 C 13 22.2 . . 1 . . . . . . . . 4202 1 556 . 1 1 47 47 VAL CG2 C 13 20.8 . . 1 . . . . . . . . 4202 1 557 . 1 1 48 48 HIS N N 15 130.3 . . 1 . . . . . . . . 4202 1 558 . 1 1 48 48 HIS H H 1 10.34 . . 1 . . . . . . . . 4202 1 559 . 1 1 48 48 HIS C C 13 174.8 . . 1 . . . . . . . . 4202 1 560 . 1 1 48 48 HIS CA C 13 56.2 . . 1 . . . . . . . . 4202 1 561 . 1 1 48 48 HIS HA H 1 5.00 . . 1 . . . . . . . . 4202 1 562 . 1 1 48 48 HIS CB C 13 30.6 . . 1 . . . . . . . . 4202 1 563 . 1 1 48 48 HIS HB2 H 1 2.86 . . 1 . . . . . . . . 4202 1 564 . 1 1 48 48 HIS HB3 H 1 3.45 . . 1 . . . . . . . . 4202 1 565 . 1 1 48 48 HIS HD1 H 1 12.4 . . 1 . . . . . . . . 4202 1 566 . 1 1 48 48 HIS HD2 H 1 7.01 . . 1 . . . . . . . . 4202 1 567 . 1 1 48 48 HIS HE1 H 1 8.57 . . 1 . . . . . . . . 4202 1 568 . 1 1 48 48 HIS ND1 N 15 171.0 . . 1 . . . . . . . . 4202 1 569 . 1 1 48 48 HIS NE2 N 15 215.0 . . 1 . . . . . . . . 4202 1 570 . 1 1 49 49 GLU N N 15 118.4 . . 1 . . . . . . . . 4202 1 571 . 1 1 49 49 GLU H H 1 8.59 . . 1 . . . . . . . . 4202 1 572 . 1 1 49 49 GLU C C 13 174.8 . . 1 . . . . . . . . 4202 1 573 . 1 1 49 49 GLU CA C 13 60.1 . . 1 . . . . . . . . 4202 1 574 . 1 1 49 49 GLU HA H 1 3.83 . . 1 . . . . . . . . 4202 1 575 . 1 1 49 49 GLU CB C 13 32.4 . . 1 . . . . . . . . 4202 1 576 . 1 1 49 49 GLU HB2 H 1 2.12 . . 1 . . . . . . . . 4202 1 577 . 1 1 49 49 GLU HB3 H 1 2.12 . . 1 . . . . . . . . 4202 1 578 . 1 1 49 49 GLU HG2 H 1 2.32 . . 1 . . . . . . . . 4202 1 579 . 1 1 49 49 GLU HG3 H 1 2.32 . . 1 . . . . . . . . 4202 1 580 . 1 1 49 49 GLU CG C 13 35.9 . . 1 . . . . . . . . 4202 1 581 . 1 1 50 50 GLU C C 13 175.5 . . 1 . . . . . . . . 4202 1 582 . 1 1 50 50 GLU CA C 13 55.4 . . 1 . . . . . . . . 4202 1 583 . 1 1 50 50 GLU HA H 1 4.49 . . 1 . . . . . . . . 4202 1 584 . 1 1 50 50 GLU CB C 13 30.8 . . 1 . . . . . . . . 4202 1 585 . 1 1 50 50 GLU HB2 H 1 2.12 . . 1 . . . . . . . . 4202 1 586 . 1 1 50 50 GLU HB3 H 1 1.94 . . 1 . . . . . . . . 4202 1 587 . 1 1 50 50 GLU HG2 H 1 2.32 . . 2 . . . . . . . . 4202 1 588 . 1 1 50 50 GLU HG3 H 1 2.40 . . 2 . . . . . . . . 4202 1 589 . 1 1 50 50 GLU CG C 13 35.8 . . 1 . . . . . . . . 4202 1 590 . 1 1 51 51 GLU N N 15 123.8 . . 1 . . . . . . . . 4202 1 591 . 1 1 51 51 GLU H H 1 8.71 . . 1 . . . . . . . . 4202 1 592 . 1 1 51 51 GLU C C 13 174.5 . . 1 . . . . . . . . 4202 1 593 . 1 1 51 51 GLU CA C 13 56.4 . . 1 . . . . . . . . 4202 1 594 . 1 1 51 51 GLU HA H 1 3.82 . . 1 . . . . . . . . 4202 1 595 . 1 1 51 51 GLU CB C 13 23.3 . . 1 . . . . . . . . 4202 1 596 . 1 1 51 51 GLU HB2 H 1 1.99 . . 1 . . . . . . . . 4202 1 597 . 1 1 51 51 GLU HB3 H 1 1.99 . . 1 . . . . . . . . 4202 1 598 . 1 1 51 51 GLU HG2 H 1 2.24 . . 1 . . . . . . . . 4202 1 599 . 1 1 51 51 GLU HG3 H 1 2.24 . . 1 . . . . . . . . 4202 1 600 . 1 1 51 51 GLU CG C 13 33.3 . . 1 . . . . . . . . 4202 1 601 . 1 1 52 52 ASP C C 13 174.5 . . 1 . . . . . . . . 4202 1 602 . 1 1 52 52 ASP CA C 13 53.8 . . 1 . . . . . . . . 4202 1 603 . 1 1 52 52 ASP HA H 1 4.59 . . 1 . . . . . . . . 4202 1 604 . 1 1 52 52 ASP CB C 13 41.9 . . 1 . . . . . . . . 4202 1 605 . 1 1 52 52 ASP HB2 H 1 2.74 . . 1 . . . . . . . . 4202 1 606 . 1 1 52 52 ASP HB3 H 1 2.06 . . 1 . . . . . . . . 4202 1 607 . 1 1 53 53 ASN N N 15 121.9 . . 1 . . . . . . . . 4202 1 608 . 1 1 53 53 ASN H H 1 8.54 . . 1 . . . . . . . . 4202 1 609 . 1 1 53 53 ASN C C 13 176.4 . . 1 . . . . . . . . 4202 1 610 . 1 1 53 53 ASN CA C 13 53.0 . . 1 . . . . . . . . 4202 1 611 . 1 1 53 53 ASN HA H 1 4.90 . . 1 . . . . . . . . 4202 1 612 . 1 1 53 53 ASN CB C 13 39.4 . . 1 . . . . . . . . 4202 1 613 . 1 1 53 53 ASN HB2 H 1 2.64 . . 1 . . . . . . . . 4202 1 614 . 1 1 53 53 ASN HB3 H 1 2.88 . . 1 . . . . . . . . 4202 1 615 . 1 1 53 53 ASN HD21 H 1 7.16 . . 2 . . . . . . . . 4202 1 616 . 1 1 53 53 ASN HD22 H 1 7.51 . . 2 . . . . . . . . 4202 1 617 . 1 1 53 53 ASN ND2 N 15 114.1 . . 1 . . . . . . . . 4202 1 618 . 1 1 54 54 THR N N 15 115.5 . . 1 . . . . . . . . 4202 1 619 . 1 1 54 54 THR H H 1 8.82 . . 1 . . . . . . . . 4202 1 620 . 1 1 54 54 THR C C 13 175.7 . . 1 . . . . . . . . 4202 1 621 . 1 1 54 54 THR CA C 13 62.2 . . 1 . . . . . . . . 4202 1 622 . 1 1 54 54 THR HA H 1 4.32 . . 1 . . . . . . . . 4202 1 623 . 1 1 54 54 THR CB C 13 71.0 . . 1 . . . . . . . . 4202 1 624 . 1 1 54 54 THR HB H 1 4.38 . . 1 . . . . . . . . 4202 1 625 . 1 1 54 54 THR HG21 H 1 1.29 . . 1 . . . . . . . . 4202 1 626 . 1 1 54 54 THR HG22 H 1 1.29 . . 1 . . . . . . . . 4202 1 627 . 1 1 54 54 THR HG23 H 1 1.29 . . 1 . . . . . . . . 4202 1 628 . 1 1 54 54 THR CG2 C 13 22.0 . . 1 . . . . . . . . 4202 1 629 . 1 1 55 55 ALA N N 15 124.3 . . 1 . . . . . . . . 4202 1 630 . 1 1 55 55 ALA H H 1 8.58 . . 1 . . . . . . . . 4202 1 631 . 1 1 55 55 ALA C C 13 178.1 . . 1 . . . . . . . . 4202 1 632 . 1 1 55 55 ALA CA C 13 53.8 . . 1 . . . . . . . . 4202 1 633 . 1 1 55 55 ALA HA H 1 4.15 . . 1 . . . . . . . . 4202 1 634 . 1 1 55 55 ALA CB C 13 18.4 . . 1 . . . . . . . . 4202 1 635 . 1 1 55 55 ALA HB1 H 1 1.34 . . 1 . . . . . . . . 4202 1 636 . 1 1 55 55 ALA HB2 H 1 1.34 . . 1 . . . . . . . . 4202 1 637 . 1 1 55 55 ALA HB3 H 1 1.34 . . 1 . . . . . . . . 4202 1 638 . 1 1 56 56 GLY N N 15 103.4 . . 1 . . . . . . . . 4202 1 639 . 1 1 56 56 GLY H H 1 8.13 . . 1 . . . . . . . . 4202 1 640 . 1 1 56 56 GLY C C 13 175.0 . . 1 . . . . . . . . 4202 1 641 . 1 1 56 56 GLY CA C 13 45.3 . . 1 . . . . . . . . 4202 1 642 . 1 1 56 56 GLY HA2 H 1 4.06 . . 1 . . . . . . . . 4202 1 643 . 1 1 56 56 GLY HA3 H 1 3.84 . . 1 . . . . . . . . 4202 1 644 . 1 1 59 59 SER C C 13 174.4 . . 1 . . . . . . . . 4202 1 645 . 1 1 59 59 SER CA C 13 58.5 . . 1 . . . . . . . . 4202 1 646 . 1 1 59 59 SER HA H 1 4.66 . . 1 . . . . . . . . 4202 1 647 . 1 1 59 59 SER CB C 13 63.8 . . 1 . . . . . . . . 4202 1 648 . 1 1 59 59 SER HB2 H 1 3.94 . . 1 . . . . . . . . 4202 1 649 . 1 1 59 59 SER HB3 H 1 3.66 . . 1 . . . . . . . . 4202 1 650 . 1 1 60 60 ALA N N 15 122.0 . . 1 . . . . . . . . 4202 1 651 . 1 1 60 60 ALA H H 1 7.40 . . 1 . . . . . . . . 4202 1 652 . 1 1 60 60 ALA C C 13 176.6 . . 1 . . . . . . . . 4202 1 653 . 1 1 60 60 ALA CA C 13 54.2 . . 1 . . . . . . . . 4202 1 654 . 1 1 60 60 ALA HA H 1 4.00 . . 1 . . . . . . . . 4202 1 655 . 1 1 60 60 ALA CB C 13 18.5 . . 1 . . . . . . . . 4202 1 656 . 1 1 60 60 ALA HB1 H 1 1.25 . . 1 . . . . . . . . 4202 1 657 . 1 1 60 60 ALA HB2 H 1 1.25 . . 1 . . . . . . . . 4202 1 658 . 1 1 60 60 ALA HB3 H 1 1.25 . . 1 . . . . . . . . 4202 1 659 . 1 1 61 61 GLY N N 15 105.3 . . 1 . . . . . . . . 4202 1 660 . 1 1 61 61 GLY H H 1 8.23 . . 1 . . . . . . . . 4202 1 661 . 1 1 61 61 GLY CA C 13 44.8 . . 1 . . . . . . . . 4202 1 662 . 1 1 61 61 GLY HA2 H 1 4.01 . . 1 . . . . . . . . 4202 1 663 . 1 1 61 61 GLY HA3 H 1 4.33 . . 1 . . . . . . . . 4202 1 664 . 1 1 62 62 PRO C C 13 175.5 . . 1 . . . . . . . . 4202 1 665 . 1 1 62 62 PRO CA C 13 62.3 . . 1 . . . . . . . . 4202 1 666 . 1 1 62 62 PRO HA H 1 4.82 . . 1 . . . . . . . . 4202 1 667 . 1 1 62 62 PRO CB C 13 32.2 . . 1 . . . . . . . . 4202 1 668 . 1 1 62 62 PRO HB2 H 1 2.16 . . 1 . . . . . . . . 4202 1 669 . 1 1 62 62 PRO HB3 H 1 1.87 . . 1 . . . . . . . . 4202 1 670 . 1 1 62 62 PRO HG2 H 1 2.06 . . 1 . . . . . . . . 4202 1 671 . 1 1 62 62 PRO HG3 H 1 2.06 . . 1 . . . . . . . . 4202 1 672 . 1 1 62 62 PRO CG C 13 26.7 . . 1 . . . . . . . . 4202 1 673 . 1 1 62 62 PRO CD C 13 34.0 . . 1 . . . . . . . . 4202 1 674 . 1 1 63 63 HIS N N 15 116.3 . . 1 . . . . . . . . 4202 1 675 . 1 1 63 63 HIS H H 1 7.71 . . 1 . . . . . . . . 4202 1 676 . 1 1 63 63 HIS C C 13 175.0 . . 1 . . . . . . . . 4202 1 677 . 1 1 63 63 HIS CA C 13 54.8 . . 1 . . . . . . . . 4202 1 678 . 1 1 63 63 HIS HA H 1 3.95 . . 1 . . . . . . . . 4202 1 679 . 1 1 63 63 HIS CB C 13 30.6 . . 1 . . . . . . . . 4202 1 680 . 1 1 63 63 HIS HB2 H 1 2.61 . . 1 . . . . . . . . 4202 1 681 . 1 1 63 63 HIS HB3 H 1 2.47 . . 1 . . . . . . . . 4202 1 682 . 1 1 63 63 HIS HD2 H 1 5.79 . . 1 . . . . . . . . 4202 1 683 . 1 1 63 63 HIS HE1 H 1 6.47 . . 1 . . . . . . . . 4202 1 684 . 1 1 63 63 HIS HE2 H 1 12.6 . . 1 . . . . . . . . 4202 1 685 . 1 1 63 63 HIS ND1 N 15 210.0 . . 1 . . . . . . . . 4202 1 686 . 1 1 63 63 HIS NE2 N 15 171.0 . . 1 . . . . . . . . 4202 1 687 . 1 1 64 64 PHE N N 15 122.6 . . 1 . . . . . . . . 4202 1 688 . 1 1 64 64 PHE H H 1 9.58 . . 1 . . . . . . . . 4202 1 689 . 1 1 64 64 PHE C C 13 175.3 . . 1 . . . . . . . . 4202 1 690 . 1 1 64 64 PHE CA C 13 57.8 . . 1 . . . . . . . . 4202 1 691 . 1 1 64 64 PHE HA H 1 4.52 . . 1 . . . . . . . . 4202 1 692 . 1 1 64 64 PHE CB C 13 38.7 . . 1 . . . . . . . . 4202 1 693 . 1 1 64 64 PHE HB2 H 1 2.68 . . 1 . . . . . . . . 4202 1 694 . 1 1 64 64 PHE HB3 H 1 2.45 . . 1 . . . . . . . . 4202 1 695 . 1 1 65 65 ASN N N 15 127.9 . . 1 . . . . . . . . 4202 1 696 . 1 1 65 65 ASN H H 1 9.42 . . 1 . . . . . . . . 4202 1 697 . 1 1 65 65 ASN C C 13 172.9 . . 1 . . . . . . . . 4202 1 698 . 1 1 65 65 ASN CA C 13 51.2 . . 1 . . . . . . . . 4202 1 699 . 1 1 65 65 ASN HA H 1 5.17 . . 1 . . . . . . . . 4202 1 700 . 1 1 65 65 ASN CB C 13 39.9 . . 1 . . . . . . . . 4202 1 701 . 1 1 65 65 ASN HB2 H 1 2.84 . . 1 . . . . . . . . 4202 1 702 . 1 1 65 65 ASN HB3 H 1 1.74 . . 1 . . . . . . . . 4202 1 703 . 1 1 65 65 ASN HD21 H 1 7.78 . . 2 . . . . . . . . 4202 1 704 . 1 1 65 65 ASN HD22 H 1 8.02 . . 2 . . . . . . . . 4202 1 705 . 1 1 65 65 ASN ND2 N 15 114.1 . . 1 . . . . . . . . 4202 1 706 . 1 1 66 66 PRO C C 13 177.1 . . 1 . . . . . . . . 4202 1 707 . 1 1 66 66 PRO CA C 13 64.5 . . 1 . . . . . . . . 4202 1 708 . 1 1 66 66 PRO HA H 1 4.34 . . 1 . . . . . . . . 4202 1 709 . 1 1 66 66 PRO CB C 13 30.7 . . 1 . . . . . . . . 4202 1 710 . 1 1 66 66 PRO HB2 H 1 1.73 . . 1 . . . . . . . . 4202 1 711 . 1 1 66 66 PRO HB3 H 1 1.73 . . 1 . . . . . . . . 4202 1 712 . 1 1 66 66 PRO HG2 H 1 1.18 . . 1 . . . . . . . . 4202 1 713 . 1 1 66 66 PRO HG3 H 1 1.18 . . 1 . . . . . . . . 4202 1 714 . 1 1 66 66 PRO HD2 H 1 2.09 . . 1 . . . . . . . . 4202 1 715 . 1 1 66 66 PRO HD3 H 1 2.09 . . 1 . . . . . . . . 4202 1 716 . 1 1 66 66 PRO CG C 13 27.5 . . 1 . . . . . . . . 4202 1 717 . 1 1 66 66 PRO CD C 13 48.1 . . 1 . . . . . . . . 4202 1 718 . 1 1 67 67 LEU N N 15 117.6 . . 1 . . . . . . . . 4202 1 719 . 1 1 67 67 LEU H H 1 7.64 . . 1 . . . . . . . . 4202 1 720 . 1 1 67 67 LEU C C 13 175.8 . . 1 . . . . . . . . 4202 1 721 . 1 1 67 67 LEU CA C 13 54.2 . . 1 . . . . . . . . 4202 1 722 . 1 1 67 67 LEU HA H 1 4.46 . . 1 . . . . . . . . 4202 1 723 . 1 1 67 67 LEU CB C 13 40.5 . . 1 . . . . . . . . 4202 1 724 . 1 1 67 67 LEU HB2 H 1 1.73 . . 1 . . . . . . . . 4202 1 725 . 1 1 67 67 LEU HB3 H 1 1.68 . . 1 . . . . . . . . 4202 1 726 . 1 1 67 67 LEU HG H 1 1.25 . . 1 . . . . . . . . 4202 1 727 . 1 1 67 67 LEU HD11 H 1 0.82 . . 1 . . . . . . . . 4202 1 728 . 1 1 67 67 LEU HD12 H 1 0.82 . . 1 . . . . . . . . 4202 1 729 . 1 1 67 67 LEU HD13 H 1 0.82 . . 1 . . . . . . . . 4202 1 730 . 1 1 67 67 LEU HD21 H 1 0.82 . . 1 . . . . . . . . 4202 1 731 . 1 1 67 67 LEU HD22 H 1 0.82 . . 1 . . . . . . . . 4202 1 732 . 1 1 67 67 LEU HD23 H 1 0.82 . . 1 . . . . . . . . 4202 1 733 . 1 1 67 67 LEU CG C 13 27.3 . . 1 . . . . . . . . 4202 1 734 . 1 1 67 67 LEU CD1 C 13 24.7 . . 1 . . . . . . . . 4202 1 735 . 1 1 67 67 LEU CD2 C 13 22.4 . . 1 . . . . . . . . 4202 1 736 . 1 1 68 68 SER N N 15 113.1 . . 1 . . . . . . . . 4202 1 737 . 1 1 68 68 SER H H 1 7.50 . . 1 . . . . . . . . 4202 1 738 . 1 1 68 68 SER C C 13 174.0 . . 1 . . . . . . . . 4202 1 739 . 1 1 68 68 SER CA C 13 59.2 . . 1 . . . . . . . . 4202 1 740 . 1 1 68 68 SER HA H 1 3.92 . . 1 . . . . . . . . 4202 1 741 . 1 1 68 68 SER CB C 13 60.4 . . 1 . . . . . . . . 4202 1 742 . 1 1 68 68 SER HB2 H 1 4.04 . . 1 . . . . . . . . 4202 1 743 . 1 1 68 68 SER HB3 H 1 4.04 . . 1 . . . . . . . . 4202 1 744 . 1 1 69 69 ARG N N 15 121.1 . . 1 . . . . . . . . 4202 1 745 . 1 1 69 69 ARG H H 1 8.58 . . 1 . . . . . . . . 4202 1 746 . 1 1 69 69 ARG C C 13 176.6 . . 1 . . . . . . . . 4202 1 747 . 1 1 69 69 ARG CA C 13 53.9 . . 1 . . . . . . . . 4202 1 748 . 1 1 69 69 ARG HA H 1 4.63 . . 1 . . . . . . . . 4202 1 749 . 1 1 69 69 ARG CB C 13 32.7 . . 1 . . . . . . . . 4202 1 750 . 1 1 69 69 ARG HB2 H 1 1.80 . . 1 . . . . . . . . 4202 1 751 . 1 1 69 69 ARG HB3 H 1 1.98 . . 1 . . . . . . . . 4202 1 752 . 1 1 69 69 ARG HG2 H 1 1.49 . . 2 . . . . . . . . 4202 1 753 . 1 1 69 69 ARG HG3 H 1 1.55 . . 2 . . . . . . . . 4202 1 754 . 1 1 69 69 ARG HD2 H 1 3.24 . . 1 . . . . . . . . 4202 1 755 . 1 1 69 69 ARG HD3 H 1 3.24 . . 1 . . . . . . . . 4202 1 756 . 1 1 69 69 ARG CG C 13 27.7 . . 1 . . . . . . . . 4202 1 757 . 1 1 69 69 ARG CD C 13 42.6 . . 1 . . . . . . . . 4202 1 758 . 1 1 70 70 LYS N N 15 119.3 . . 1 . . . . . . . . 4202 1 759 . 1 1 70 70 LYS H H 1 8.82 . . 1 . . . . . . . . 4202 1 760 . 1 1 70 70 LYS C C 13 173.1 . . 1 . . . . . . . . 4202 1 761 . 1 1 70 70 LYS CA C 13 56.0 . . 1 . . . . . . . . 4202 1 762 . 1 1 70 70 LYS HA H 1 4.45 . . 1 . . . . . . . . 4202 1 763 . 1 1 70 70 LYS CB C 13 33.4 . . 1 . . . . . . . . 4202 1 764 . 1 1 70 70 LYS HB2 H 1 1.90 . . 1 . . . . . . . . 4202 1 765 . 1 1 70 70 LYS HB3 H 1 1.67 . . 1 . . . . . . . . 4202 1 766 . 1 1 70 70 LYS HG2 H 1 1.51 . . 2 . . . . . . . . 4202 1 767 . 1 1 70 70 LYS HG3 H 1 1.57 . . 2 . . . . . . . . 4202 1 768 . 1 1 70 70 LYS HD2 H 1 1.66 . . 1 . . . . . . . . 4202 1 769 . 1 1 70 70 LYS HD3 H 1 1.66 . . 1 . . . . . . . . 4202 1 770 . 1 1 70 70 LYS HE2 H 1 3.00 . . 1 . . . . . . . . 4202 1 771 . 1 1 70 70 LYS HE3 H 1 3.00 . . 1 . . . . . . . . 4202 1 772 . 1 1 70 70 LYS CG C 13 25.5 . . 1 . . . . . . . . 4202 1 773 . 1 1 70 70 LYS CD C 13 29.4 . . 1 . . . . . . . . 4202 1 774 . 1 1 70 70 LYS CE C 13 41.9 . . 1 . . . . . . . . 4202 1 775 . 1 1 71 71 HIS N N 15 113.1 . . 1 . . . . . . . . 4202 1 776 . 1 1 71 71 HIS H H 1 7.14 . . 1 . . . . . . . . 4202 1 777 . 1 1 71 71 HIS C C 13 174.5 . . 1 . . . . . . . . 4202 1 778 . 1 1 71 71 HIS CA C 13 56.0 . . 1 . . . . . . . . 4202 1 779 . 1 1 71 71 HIS HA H 1 2.88 . . 1 . . . . . . . . 4202 1 780 . 1 1 71 71 HIS CB C 13 31.4 . . 1 . . . . . . . . 4202 1 781 . 1 1 71 71 HIS HB2 H 1 2.32 . . 1 . . . . . . . . 4202 1 782 . 1 1 71 71 HIS HB3 H 1 2.69 . . 1 . . . . . . . . 4202 1 783 . 1 1 71 71 HIS HD2 H 1 6.80 . . 1 . . . . . . . . 4202 1 784 . 1 1 71 71 HIS HE1 H 1 7.74 . . 1 . . . . . . . . 4202 1 785 . 1 1 71 71 HIS HE2 H 1 15.3 . . 1 . . . . . . . . 4202 1 786 . 1 1 71 71 HIS ND1 N 15 208.6 . . 1 . . . . . . . . 4202 1 787 . 1 1 71 71 HIS NE2 N 15 17.0 . . 1 . . . . . . . . 4202 1 788 . 1 1 72 72 GLY N N 15 114.0 . . 1 . . . . . . . . 4202 1 789 . 1 1 72 72 GLY H H 1 7.29 . . 1 . . . . . . . . 4202 1 790 . 1 1 72 72 GLY C C 13 171.8 . . 1 . . . . . . . . 4202 1 791 . 1 1 72 72 GLY CA C 13 44.7 . . 1 . . . . . . . . 4202 1 792 . 1 1 72 72 GLY HA2 H 1 4.01 . . 1 . . . . . . . . 4202 1 793 . 1 1 72 72 GLY HA3 H 1 3.86 . . 1 . . . . . . . . 4202 1 794 . 1 1 73 73 GLY N N 15 106.3 . . 1 . . . . . . . . 4202 1 795 . 1 1 73 73 GLY H H 1 8.83 . . 1 . . . . . . . . 4202 1 796 . 1 1 73 73 GLY C C 13 172.7 . . 1 . . . . . . . . 4202 1 797 . 1 1 73 73 GLY CA C 13 40.3 . . 1 . . . . . . . . 4202 1 798 . 1 1 73 73 GLY HA2 H 1 3.75 . . 1 . . . . . . . . 4202 1 799 . 1 1 73 73 GLY HA3 H 1 4.40 . . 1 . . . . . . . . 4202 1 800 . 1 1 74 74 PRO C C 13 178.8 . . 1 . . . . . . . . 4202 1 801 . 1 1 74 74 PRO CA C 13 63.8 . . 1 . . . . . . . . 4202 1 802 . 1 1 74 74 PRO HA H 1 4.46 . . 1 . . . . . . . . 4202 1 803 . 1 1 74 74 PRO CB C 13 31.0 . . 1 . . . . . . . . 4202 1 804 . 1 1 74 74 PRO HB2 H 1 2.55 . . 1 . . . . . . . . 4202 1 805 . 1 1 74 74 PRO HB3 H 1 2.13 . . 1 . . . . . . . . 4202 1 806 . 1 1 74 74 PRO HG2 H 1 2.04 . . 1 . . . . . . . . 4202 1 807 . 1 1 74 74 PRO HG3 H 1 2.04 . . 1 . . . . . . . . 4202 1 808 . 1 1 74 74 PRO HD2 H 1 3.19 . . 2 . . . . . . . . 4202 1 809 . 1 1 74 74 PRO HD3 H 1 3.78 . . 2 . . . . . . . . 4202 1 810 . 1 1 74 74 PRO CG C 13 27.4 . . 1 . . . . . . . . 4202 1 811 . 1 1 74 74 PRO CD C 13 48.6 . . 1 . . . . . . . . 4202 1 812 . 1 1 75 75 LYS N N 15 116.0 . . 1 . . . . . . . . 4202 1 813 . 1 1 75 75 LYS H H 1 8.65 . . 1 . . . . . . . . 4202 1 814 . 1 1 75 75 LYS C C 13 176.8 . . 1 . . . . . . . . 4202 1 815 . 1 1 75 75 LYS CA C 13 55.0 . . 1 . . . . . . . . 4202 1 816 . 1 1 75 75 LYS HA H 1 4.38 . . 1 . . . . . . . . 4202 1 817 . 1 1 75 75 LYS CB C 13 31.3 . . 1 . . . . . . . . 4202 1 818 . 1 1 75 75 LYS HB2 H 1 2.03 . . 1 . . . . . . . . 4202 1 819 . 1 1 75 75 LYS HB3 H 1 1.78 . . 1 . . . . . . . . 4202 1 820 . 1 1 75 75 LYS HG2 H 1 1.43 . . 1 . . . . . . . . 4202 1 821 . 1 1 75 75 LYS HG3 H 1 1.55 . . 1 . . . . . . . . 4202 1 822 . 1 1 75 75 LYS HD2 H 1 1.70 . . 1 . . . . . . . . 4202 1 823 . 1 1 75 75 LYS HD3 H 1 1.70 . . 1 . . . . . . . . 4202 1 824 . 1 1 75 75 LYS HE2 H 1 3.07 . . 1 . . . . . . . . 4202 1 825 . 1 1 75 75 LYS HE3 H 1 3.07 . . 1 . . . . . . . . 4202 1 826 . 1 1 75 75 LYS CG C 13 24.8 . . 1 . . . . . . . . 4202 1 827 . 1 1 75 75 LYS CD C 13 28.3 . . 1 . . . . . . . . 4202 1 828 . 1 1 75 75 LYS CE C 13 42.2 . . 1 . . . . . . . . 4202 1 829 . 1 1 76 76 ASP N N 15 121.5 . . 1 . . . . . . . . 4202 1 830 . 1 1 76 76 ASP H H 1 7.52 . . 1 . . . . . . . . 4202 1 831 . 1 1 76 76 ASP C C 13 175.8 . . 1 . . . . . . . . 4202 1 832 . 1 1 76 76 ASP CA C 13 54.6 . . 1 . . . . . . . . 4202 1 833 . 1 1 76 76 ASP HA H 1 4.52 . . 1 . . . . . . . . 4202 1 834 . 1 1 76 76 ASP CB C 13 41.9 . . 1 . . . . . . . . 4202 1 835 . 1 1 76 76 ASP HB2 H 1 2.66 . . 1 . . . . . . . . 4202 1 836 . 1 1 76 76 ASP HB3 H 1 2.61 . . 1 . . . . . . . . 4202 1 837 . 1 1 77 77 GLU N N 15 121.4 . . 1 . . . . . . . . 4202 1 838 . 1 1 77 77 GLU H H 1 8.30 . . 1 . . . . . . . . 4202 1 839 . 1 1 77 77 GLU C C 13 177.2 . . 1 . . . . . . . . 4202 1 840 . 1 1 77 77 GLU CA C 13 58.7 . . 1 . . . . . . . . 4202 1 841 . 1 1 77 77 GLU HA H 1 3.95 . . 1 . . . . . . . . 4202 1 842 . 1 1 77 77 GLU CB C 13 29.7 . . 1 . . . . . . . . 4202 1 843 . 1 1 77 77 GLU HB2 H 1 2.02 . . 1 . . . . . . . . 4202 1 844 . 1 1 77 77 GLU HB3 H 1 2.02 . . 1 . . . . . . . . 4202 1 845 . 1 1 77 77 GLU HG2 H 1 2.31 . . 1 . . . . . . . . 4202 1 846 . 1 1 77 77 GLU HG3 H 1 2.37 . . 1 . . . . . . . . 4202 1 847 . 1 1 77 77 GLU CG C 13 36.2 . . 1 . . . . . . . . 4202 1 848 . 1 1 78 78 GLU N N 15 120.3 . . 1 . . . . . . . . 4202 1 849 . 1 1 78 78 GLU H H 1 8.10 . . 1 . . . . . . . . 4202 1 850 . 1 1 78 78 GLU C C 13 171.5 . . 1 . . . . . . . . 4202 1 851 . 1 1 78 78 GLU CA C 13 55.3 . . 1 . . . . . . . . 4202 1 852 . 1 1 78 78 GLU HA H 1 4.15 . . 1 . . . . . . . . 4202 1 853 . 1 1 78 78 GLU CB C 13 27.8 . . 1 . . . . . . . . 4202 1 854 . 1 1 78 78 GLU HB2 H 1 1.97 . . 1 . . . . . . . . 4202 1 855 . 1 1 78 78 GLU HB3 H 1 1.97 . . 1 . . . . . . . . 4202 1 856 . 1 1 78 78 GLU HG2 H 1 1.90 . . 1 . . . . . . . . 4202 1 857 . 1 1 78 78 GLU HG3 H 1 2.26 . . 1 . . . . . . . . 4202 1 858 . 1 1 78 78 GLU CG C 13 35.9 . . 1 . . . . . . . . 4202 1 859 . 1 1 79 79 ARG N N 15 119.8 . . 1 . . . . . . . . 4202 1 860 . 1 1 79 79 ARG H H 1 7.04 . . 1 . . . . . . . . 4202 1 861 . 1 1 79 79 ARG C C 13 175.4 . . 1 . . . . . . . . 4202 1 862 . 1 1 79 79 ARG CA C 13 54.6 . . 1 . . . . . . . . 4202 1 863 . 1 1 79 79 ARG HA H 1 4.67 . . 1 . . . . . . . . 4202 1 864 . 1 1 79 79 ARG CB C 13 32.1 . . 1 . . . . . . . . 4202 1 865 . 1 1 79 79 ARG HB2 H 1 1.70 . . 1 . . . . . . . . 4202 1 866 . 1 1 79 79 ARG HB3 H 1 1.70 . . 1 . . . . . . . . 4202 1 867 . 1 1 79 79 ARG HG2 H 1 1.89 . . 1 . . . . . . . . 4202 1 868 . 1 1 79 79 ARG HG3 H 1 1.89 . . 1 . . . . . . . . 4202 1 869 . 1 1 79 79 ARG HD2 H 1 3.38 . . 1 . . . . . . . . 4202 1 870 . 1 1 79 79 ARG HD3 H 1 3.38 . . 1 . . . . . . . . 4202 1 871 . 1 1 79 79 ARG CG C 13 23.8 . . 1 . . . . . . . . 4202 1 872 . 1 1 79 79 ARG CD C 13 44.3 . . 1 . . . . . . . . 4202 1 873 . 1 1 80 80 HIS N N 15 119.2 . . 1 . . . . . . . . 4202 1 874 . 1 1 80 80 HIS H H 1 8.38 . . 1 . . . . . . . . 4202 1 875 . 1 1 80 80 HIS C C 13 179.0 . . 1 . . . . . . . . 4202 1 876 . 1 1 80 80 HIS CA C 13 53.8 . . 1 . . . . . . . . 4202 1 877 . 1 1 80 80 HIS HA H 1 4.56 . . 1 . . . . . . . . 4202 1 878 . 1 1 80 80 HIS CB C 13 29.0 . . 1 . . . . . . . . 4202 1 879 . 1 1 80 80 HIS HB2 H 1 3.26 . . 1 . . . . . . . . 4202 1 880 . 1 1 80 80 HIS HB3 H 1 2.89 . . 1 . . . . . . . . 4202 1 881 . 1 1 80 80 HIS HD2 H 1 6.85 . . 1 . . . . . . . . 4202 1 882 . 1 1 80 80 HIS HE1 H 1 8.49 . . 1 . . . . . . . . 4202 1 883 . 1 1 80 80 HIS HE2 H 1 12.8 . . 1 . . . . . . . . 4202 1 884 . 1 1 80 80 HIS ND1 N 15 201.0 . . 1 . . . . . . . . 4202 1 885 . 1 1 80 80 HIS NE2 N 15 177.0 . . 1 . . . . . . . . 4202 1 886 . 1 1 81 81 VAL N N 15 129.8 . . 1 . . . . . . . . 4202 1 887 . 1 1 81 81 VAL H H 1 8.10 . . 1 . . . . . . . . 4202 1 888 . 1 1 81 81 VAL C C 13 176.7 . . 1 . . . . . . . . 4202 1 889 . 1 1 81 81 VAL CA C 13 61.4 . . 1 . . . . . . . . 4202 1 890 . 1 1 81 81 VAL HA H 1 3.50 . . 1 . . . . . . . . 4202 1 891 . 1 1 81 81 VAL HB H 1 2.87 . . 1 . . . . . . . . 4202 1 892 . 1 1 81 81 VAL HG11 H 1 0.57 . . 1 . . . . . . . . 4202 1 893 . 1 1 81 81 VAL HG12 H 1 0.57 . . 1 . . . . . . . . 4202 1 894 . 1 1 81 81 VAL HG13 H 1 0.57 . . 1 . . . . . . . . 4202 1 895 . 1 1 81 81 VAL HG21 H 1 1.21 . . 1 . . . . . . . . 4202 1 896 . 1 1 81 81 VAL HG22 H 1 1.21 . . 1 . . . . . . . . 4202 1 897 . 1 1 81 81 VAL HG23 H 1 1.21 . . 1 . . . . . . . . 4202 1 898 . 1 1 82 82 GLY N N 15 98.6 . . 1 . . . . . . . . 4202 1 899 . 1 1 82 82 GLY H H 1 8.53 . . 1 . . . . . . . . 4202 1 900 . 1 1 82 82 GLY C C 13 173.5 . . 1 . . . . . . . . 4202 1 901 . 1 1 82 82 GLY CA C 13 46.2 . . 1 . . . . . . . . 4202 1 902 . 1 1 82 82 GLY HA2 H 1 4.12 . . 1 . . . . . . . . 4202 1 903 . 1 1 82 82 GLY HA3 H 1 4.48 . . 1 . . . . . . . . 4202 1 904 . 1 1 83 83 ASP N N 15 122.2 . . 1 . . . . . . . . 4202 1 905 . 1 1 83 83 ASP H H 1 7.19 . . 1 . . . . . . . . 4202 1 906 . 1 1 83 83 ASP C C 13 172.2 . . 1 . . . . . . . . 4202 1 907 . 1 1 83 83 ASP CA C 13 55.9 . . 1 . . . . . . . . 4202 1 908 . 1 1 83 83 ASP HA H 1 4.90 . . 1 . . . . . . . . 4202 1 909 . 1 1 83 83 ASP CB C 13 39.4 . . 1 . . . . . . . . 4202 1 910 . 1 1 83 83 ASP HB2 H 1 2.96 . . 1 . . . . . . . . 4202 1 911 . 1 1 83 83 ASP HB3 H 1 2.84 . . 1 . . . . . . . . 4202 1 912 . 1 1 84 84 LEU N N 15 121.1 . . 1 . . . . . . . . 4202 1 913 . 1 1 84 84 LEU H H 1 7.21 . . 1 . . . . . . . . 4202 1 914 . 1 1 84 84 LEU C C 13 176.5 . . 1 . . . . . . . . 4202 1 915 . 1 1 84 84 LEU CA C 13 53.8 . . 1 . . . . . . . . 4202 1 916 . 1 1 84 84 LEU HA H 1 4.65 . . 1 . . . . . . . . 4202 1 917 . 1 1 84 84 LEU CB C 13 41.7 . . 1 . . . . . . . . 4202 1 918 . 1 1 84 84 LEU HB2 H 1 1.81 . . 1 . . . . . . . . 4202 1 919 . 1 1 84 84 LEU HB3 H 1 1.81 . . 1 . . . . . . . . 4202 1 920 . 1 1 84 84 LEU HG H 1 1.61 . . 1 . . . . . . . . 4202 1 921 . 1 1 84 84 LEU HD11 H 1 0.86 . . 1 . . . . . . . . 4202 1 922 . 1 1 84 84 LEU HD12 H 1 0.86 . . 1 . . . . . . . . 4202 1 923 . 1 1 84 84 LEU HD13 H 1 0.86 . . 1 . . . . . . . . 4202 1 924 . 1 1 84 84 LEU HD21 H 1 0.59 . . 1 . . . . . . . . 4202 1 925 . 1 1 84 84 LEU HD22 H 1 0.59 . . 1 . . . . . . . . 4202 1 926 . 1 1 84 84 LEU HD23 H 1 0.59 . . 1 . . . . . . . . 4202 1 927 . 1 1 84 84 LEU CG C 13 25.5 . . 1 . . . . . . . . 4202 1 928 . 1 1 84 84 LEU CD1 C 13 22.0 . . 1 . . . . . . . . 4202 1 929 . 1 1 84 84 LEU CD2 C 13 22.0 . . 1 . . . . . . . . 4202 1 930 . 1 1 85 85 GLY N N 15 108.3 . . 1 . . . . . . . . 4202 1 931 . 1 1 85 85 GLY H H 1 8.31 . . 1 . . . . . . . . 4202 1 932 . 1 1 85 85 GLY C C 13 170.9 . . 1 . . . . . . . . 4202 1 933 . 1 1 85 85 GLY CA C 13 46.6 . . 1 . . . . . . . . 4202 1 934 . 1 1 85 85 GLY HA2 H 1 3.65 . . 1 . . . . . . . . 4202 1 935 . 1 1 85 85 GLY HA3 H 1 3.99 . . 1 . . . . . . . . 4202 1 936 . 1 1 86 86 ASN N N 15 118.2 . . 1 . . . . . . . . 4202 1 937 . 1 1 86 86 ASN H H 1 8.07 . . 1 . . . . . . . . 4202 1 938 . 1 1 86 86 ASN C C 13 177.2 . . 1 . . . . . . . . 4202 1 939 . 1 1 86 86 ASN CA C 13 52.3 . . 1 . . . . . . . . 4202 1 940 . 1 1 86 86 ASN HA H 1 5.81 . . 1 . . . . . . . . 4202 1 941 . 1 1 86 86 ASN CB C 13 44.2 . . 1 . . . . . . . . 4202 1 942 . 1 1 86 86 ASN HB2 H 1 2.28 . . 1 . . . . . . . . 4202 1 943 . 1 1 86 86 ASN HB3 H 1 2.54 . . 1 . . . . . . . . 4202 1 944 . 1 1 87 87 VAL N N 15 114.8 . . 1 . . . . . . . . 4202 1 945 . 1 1 87 87 VAL H H 1 9.03 . . 1 . . . . . . . . 4202 1 946 . 1 1 87 87 VAL C C 13 174.7 . . 1 . . . . . . . . 4202 1 947 . 1 1 87 87 VAL CA C 13 59.1 . . 1 . . . . . . . . 4202 1 948 . 1 1 87 87 VAL HA H 1 4.57 . . 1 . . . . . . . . 4202 1 949 . 1 1 87 87 VAL CB C 13 32.0 . . 1 . . . . . . . . 4202 1 950 . 1 1 87 87 VAL HB H 1 1.79 . . 1 . . . . . . . . 4202 1 951 . 1 1 87 87 VAL HG11 H 1 0.44 . . 1 . . . . . . . . 4202 1 952 . 1 1 87 87 VAL HG12 H 1 0.44 . . 1 . . . . . . . . 4202 1 953 . 1 1 87 87 VAL HG13 H 1 0.44 . . 1 . . . . . . . . 4202 1 954 . 1 1 87 87 VAL HG21 H 1 -0.02 . . 1 . . . . . . . . 4202 1 955 . 1 1 87 87 VAL HG22 H 1 -0.02 . . 1 . . . . . . . . 4202 1 956 . 1 1 87 87 VAL HG23 H 1 -0.02 . . 1 . . . . . . . . 4202 1 957 . 1 1 87 87 VAL CG1 C 13 21.3 . . 1 . . . . . . . . 4202 1 958 . 1 1 87 87 VAL CG2 C 13 17.8 . . 1 . . . . . . . . 4202 1 959 . 1 1 88 88 THR N N 15 118.9 . . 1 . . . . . . . . 4202 1 960 . 1 1 88 88 THR H H 1 8.70 . . 1 . . . . . . . . 4202 1 961 . 1 1 88 88 THR C C 13 173.5 . . 1 . . . . . . . . 4202 1 962 . 1 1 88 88 THR CA C 13 62.0 . . 1 . . . . . . . . 4202 1 963 . 1 1 88 88 THR HA H 1 4.63 . . 1 . . . . . . . . 4202 1 964 . 1 1 88 88 THR CB C 13 69.6 . . 1 . . . . . . . . 4202 1 965 . 1 1 88 88 THR HB H 1 3.94 . . 1 . . . . . . . . 4202 1 966 . 1 1 88 88 THR HG21 H 1 1.03 . . 1 . . . . . . . . 4202 1 967 . 1 1 88 88 THR HG22 H 1 1.03 . . 1 . . . . . . . . 4202 1 968 . 1 1 88 88 THR HG23 H 1 1.03 . . 1 . . . . . . . . 4202 1 969 . 1 1 88 88 THR CG2 C 13 21.4 . . 1 . . . . . . . . 4202 1 970 . 1 1 89 89 ALA N N 15 129.9 . . 1 . . . . . . . . 4202 1 971 . 1 1 89 89 ALA H H 1 9.38 . . 1 . . . . . . . . 4202 1 972 . 1 1 89 89 ALA C C 13 177.5 . . 1 . . . . . . . . 4202 1 973 . 1 1 89 89 ALA CA C 13 49.7 . . 1 . . . . . . . . 4202 1 974 . 1 1 89 89 ALA HA H 1 4.62 . . 1 . . . . . . . . 4202 1 975 . 1 1 89 89 ALA CB C 13 20.9 . . 1 . . . . . . . . 4202 1 976 . 1 1 89 89 ALA HB1 H 1 1.28 . . 1 . . . . . . . . 4202 1 977 . 1 1 89 89 ALA HB2 H 1 1.28 . . 1 . . . . . . . . 4202 1 978 . 1 1 89 89 ALA HB3 H 1 1.28 . . 1 . . . . . . . . 4202 1 979 . 1 1 90 90 ASP N N 15 125.5 . . 1 . . . . . . . . 4202 1 980 . 1 1 90 90 ASP H H 1 8.50 . . 1 . . . . . . . . 4202 1 981 . 1 1 90 90 ASP C C 13 177.1 . . 1 . . . . . . . . 4202 1 982 . 1 1 90 90 ASP CA C 13 52.8 . . 1 . . . . . . . . 4202 1 983 . 1 1 90 90 ASP HA H 1 4.54 . . 1 . . . . . . . . 4202 1 984 . 1 1 90 90 ASP CB C 13 41.6 . . 1 . . . . . . . . 4202 1 985 . 1 1 90 90 ASP HB2 H 1 3.35 . . 1 . . . . . . . . 4202 1 986 . 1 1 90 90 ASP HB3 H 1 2.85 . . 1 . . . . . . . . 4202 1 987 . 1 1 91 91 LYS N N 15 115.5 . . 1 . . . . . . . . 4202 1 988 . 1 1 91 91 LYS H H 1 8.20 . . 1 . . . . . . . . 4202 1 989 . 1 1 91 91 LYS C C 13 177.4 . . 1 . . . . . . . . 4202 1 990 . 1 1 91 91 LYS CA C 13 58.5 . . 1 . . . . . . . . 4202 1 991 . 1 1 91 91 LYS HA H 1 3.94 . . 1 . . . . . . . . 4202 1 992 . 1 1 91 91 LYS CB C 13 31.6 . . 1 . . . . . . . . 4202 1 993 . 1 1 91 91 LYS HB2 H 1 1.87 . . 1 . . . . . . . . 4202 1 994 . 1 1 91 91 LYS HB3 H 1 1.83 . . 1 . . . . . . . . 4202 1 995 . 1 1 91 91 LYS HG2 H 1 1.38 . . 2 . . . . . . . . 4202 1 996 . 1 1 91 91 LYS HG3 H 1 1.44 . . 2 . . . . . . . . 4202 1 997 . 1 1 91 91 LYS HD2 H 1 1.68 . . 1 . . . . . . . . 4202 1 998 . 1 1 91 91 LYS HD3 H 1 1.68 . . 1 . . . . . . . . 4202 1 999 . 1 1 91 91 LYS HE2 H 1 3.04 . . 1 . . . . . . . . 4202 1 1000 . 1 1 91 91 LYS HE3 H 1 3.04 . . 1 . . . . . . . . 4202 1 1001 . 1 1 91 91 LYS CG C 13 23.7 . . 1 . . . . . . . . 4202 1 1002 . 1 1 91 91 LYS CD C 13 29.1 . . 1 . . . . . . . . 4202 1 1003 . 1 1 91 91 LYS CE C 13 42.1 . . 1 . . . . . . . . 4202 1 1004 . 1 1 92 92 ASP N N 15 120.5 . . 1 . . . . . . . . 4202 1 1005 . 1 1 92 92 ASP H H 1 8.20 . . 1 . . . . . . . . 4202 1 1006 . 1 1 92 92 ASP C C 13 176.3 . . 1 . . . . . . . . 4202 1 1007 . 1 1 92 92 ASP CA C 13 54.3 . . 1 . . . . . . . . 4202 1 1008 . 1 1 92 92 ASP HA H 1 4.76 . . 1 . . . . . . . . 4202 1 1009 . 1 1 92 92 ASP CB C 13 41.2 . . 1 . . . . . . . . 4202 1 1010 . 1 1 92 92 ASP HB2 H 1 2.89 . . 1 . . . . . . . . 4202 1 1011 . 1 1 92 92 ASP HB3 H 1 2.82 . . 1 . . . . . . . . 4202 1 1012 . 1 1 93 93 GLY N N 15 112.0 . . 1 . . . . . . . . 4202 1 1013 . 1 1 93 93 GLY H H 1 8.43 . . 1 . . . . . . . . 4202 1 1014 . 1 1 93 93 GLY C C 13 172.9 . . 1 . . . . . . . . 4202 1 1015 . 1 1 93 93 GLY CA C 13 46.9 . . 1 . . . . . . . . 4202 1 1016 . 1 1 93 93 GLY HA2 H 1 3.93 . . 1 . . . . . . . . 4202 1 1017 . 1 1 93 93 GLY HA3 H 1 4.17 . . 1 . . . . . . . . 4202 1 1018 . 1 1 94 94 VAL N N 15 119.5 . . 1 . . . . . . . . 4202 1 1019 . 1 1 94 94 VAL H H 1 7.94 . . 1 . . . . . . . . 4202 1 1020 . 1 1 94 94 VAL C C 13 176.6 . . 1 . . . . . . . . 4202 1 1021 . 1 1 94 94 VAL CA C 13 61.5 . . 1 . . . . . . . . 4202 1 1022 . 1 1 94 94 VAL HA H 1 4.69 . . 1 . . . . . . . . 4202 1 1023 . 1 1 94 94 VAL CB C 13 32.6 . . 1 . . . . . . . . 4202 1 1024 . 1 1 94 94 VAL HB H 1 2.20 . . 1 . . . . . . . . 4202 1 1025 . 1 1 94 94 VAL HG11 H 1 0.75 . . 1 . . . . . . . . 4202 1 1026 . 1 1 94 94 VAL HG12 H 1 0.75 . . 1 . . . . . . . . 4202 1 1027 . 1 1 94 94 VAL HG13 H 1 0.75 . . 1 . . . . . . . . 4202 1 1028 . 1 1 94 94 VAL HG21 H 1 0.86 . . 1 . . . . . . . . 4202 1 1029 . 1 1 94 94 VAL HG22 H 1 0.86 . . 1 . . . . . . . . 4202 1 1030 . 1 1 94 94 VAL HG23 H 1 0.86 . . 1 . . . . . . . . 4202 1 1031 . 1 1 94 94 VAL CG1 C 13 21.4 . . 1 . . . . . . . . 4202 1 1032 . 1 1 94 94 VAL CG2 C 13 21.4 . . 1 . . . . . . . . 4202 1 1033 . 1 1 95 95 ALA N N 15 132.2 . . 1 . . . . . . . . 4202 1 1034 . 1 1 95 95 ALA H H 1 9.75 . . 1 . . . . . . . . 4202 1 1035 . 1 1 95 95 ALA C C 13 174.9 . . 1 . . . . . . . . 4202 1 1036 . 1 1 95 95 ALA CA C 13 50.2 . . 1 . . . . . . . . 4202 1 1037 . 1 1 95 95 ALA HA H 1 5.15 . . 1 . . . . . . . . 4202 1 1038 . 1 1 95 95 ALA CB C 13 20.2 . . 1 . . . . . . . . 4202 1 1039 . 1 1 95 95 ALA HB1 H 1 0.78 . . 1 . . . . . . . . 4202 1 1040 . 1 1 95 95 ALA HB2 H 1 0.78 . . 1 . . . . . . . . 4202 1 1041 . 1 1 95 95 ALA HB3 H 1 0.78 . . 1 . . . . . . . . 4202 1 1042 . 1 1 96 96 ASP N N 15 126.3 . . 1 . . . . . . . . 4202 1 1043 . 1 1 96 96 ASP H H 1 8.56 . . 1 . . . . . . . . 4202 1 1044 . 1 1 96 96 ASP C C 13 175.8 . . 1 . . . . . . . . 4202 1 1045 . 1 1 96 96 ASP CA C 13 54.0 . . 1 . . . . . . . . 4202 1 1046 . 1 1 96 96 ASP HA H 1 5.00 . . 1 . . . . . . . . 4202 1 1047 . 1 1 96 96 ASP CB C 13 41.2 . . 1 . . . . . . . . 4202 1 1048 . 1 1 96 96 ASP HB2 H 1 2.68 . . 1 . . . . . . . . 4202 1 1049 . 1 1 96 96 ASP HB3 H 1 2.52 . . 1 . . . . . . . . 4202 1 1050 . 1 1 97 97 VAL N N 15 126.8 . . 1 . . . . . . . . 4202 1 1051 . 1 1 97 97 VAL H H 1 8.71 . . 1 . . . . . . . . 4202 1 1052 . 1 1 97 97 VAL C C 13 176.5 . . 1 . . . . . . . . 4202 1 1053 . 1 1 97 97 VAL CA C 13 62.2 . . 1 . . . . . . . . 4202 1 1054 . 1 1 97 97 VAL HA H 1 4.07 . . 1 . . . . . . . . 4202 1 1055 . 1 1 97 97 VAL CB C 13 32.9 . . 1 . . . . . . . . 4202 1 1056 . 1 1 97 97 VAL HB H 1 1.60 . . 1 . . . . . . . . 4202 1 1057 . 1 1 97 97 VAL HG11 H 1 0.71 . . 1 . . . . . . . . 4202 1 1058 . 1 1 97 97 VAL HG12 H 1 0.71 . . 1 . . . . . . . . 4202 1 1059 . 1 1 97 97 VAL HG13 H 1 0.71 . . 1 . . . . . . . . 4202 1 1060 . 1 1 97 97 VAL HG21 H 1 0.48 . . 1 . . . . . . . . 4202 1 1061 . 1 1 97 97 VAL HG22 H 1 0.48 . . 1 . . . . . . . . 4202 1 1062 . 1 1 97 97 VAL HG23 H 1 0.48 . . 1 . . . . . . . . 4202 1 1063 . 1 1 97 97 VAL CG1 C 13 20.70 . . 1 . . . . . . . . 4202 1 1064 . 1 1 97 97 VAL CG2 C 13 21.20 . . 1 . . . . . . . . 4202 1 1065 . 1 1 98 98 SER N N 15 124.2 . . 1 . . . . . . . . 4202 1 1066 . 1 1 98 98 SER H H 1 8.80 . . 1 . . . . . . . . 4202 1 1067 . 1 1 98 98 SER C C 13 173.1 . . 1 . . . . . . . . 4202 1 1068 . 1 1 98 98 SER CA C 13 58.0 . . 1 . . . . . . . . 4202 1 1069 . 1 1 98 98 SER HA H 1 5.17 . . 1 . . . . . . . . 4202 1 1070 . 1 1 98 98 SER CB C 13 62.3 . . 1 . . . . . . . . 4202 1 1071 . 1 1 98 98 SER HB2 H 1 3.92 . . 1 . . . . . . . . 4202 1 1072 . 1 1 98 98 SER HB3 H 1 3.86 . . 1 . . . . . . . . 4202 1 1073 . 1 1 99 99 ILE N N 15 126.9 . . 1 . . . . . . . . 4202 1 1074 . 1 1 99 99 ILE H H 1 9.44 . . 1 . . . . . . . . 4202 1 1075 . 1 1 99 99 ILE C C 13 174.3 . . 1 . . . . . . . . 4202 1 1076 . 1 1 99 99 ILE CA C 13 60.2 . . 1 . . . . . . . . 4202 1 1077 . 1 1 99 99 ILE HA H 1 4.69 . . 1 . . . . . . . . 4202 1 1078 . 1 1 99 99 ILE CB C 13 44.2 . . 1 . . . . . . . . 4202 1 1079 . 1 1 99 99 ILE HB H 1 1.80 . . 1 . . . . . . . . 4202 1 1080 . 1 1 99 99 ILE HG12 H 1 1.21 . . 1 . . . . . . . . 4202 1 1081 . 1 1 99 99 ILE HG13 H 1 1.51 . . 1 . . . . . . . . 4202 1 1082 . 1 1 99 99 ILE HG21 H 1 1.03 . . 1 . . . . . . . . 4202 1 1083 . 1 1 99 99 ILE HG22 H 1 1.03 . . 1 . . . . . . . . 4202 1 1084 . 1 1 99 99 ILE HG23 H 1 1.03 . . 1 . . . . . . . . 4202 1 1085 . 1 1 99 99 ILE HD11 H 1 1.03 . . 1 . . . . . . . . 4202 1 1086 . 1 1 99 99 ILE HD12 H 1 1.03 . . 1 . . . . . . . . 4202 1 1087 . 1 1 99 99 ILE HD13 H 1 1.03 . . 1 . . . . . . . . 4202 1 1088 . 1 1 99 99 ILE CG1 C 13 27.4 . . 1 . . . . . . . . 4202 1 1089 . 1 1 99 99 ILE CG2 C 13 17.4 . . 1 . . . . . . . . 4202 1 1090 . 1 1 99 99 ILE CD1 C 13 14.9 . . 1 . . . . . . . . 4202 1 1091 . 1 1 100 100 GLU N N 15 125.2 . . 1 . . . . . . . . 4202 1 1092 . 1 1 100 100 GLU H H 1 8.63 . . 1 . . . . . . . . 4202 1 1093 . 1 1 100 100 GLU C C 13 175.4 . . 1 . . . . . . . . 4202 1 1094 . 1 1 100 100 GLU CA C 13 55.5 . . 1 . . . . . . . . 4202 1 1095 . 1 1 100 100 GLU HA H 1 5.42 . . 1 . . . . . . . . 4202 1 1096 . 1 1 100 100 GLU CB C 13 32.4 . . 1 . . . . . . . . 4202 1 1097 . 1 1 100 100 GLU HB2 H 1 2.02 . . 1 . . . . . . . . 4202 1 1098 . 1 1 100 100 GLU HB3 H 1 1.97 . . 1 . . . . . . . . 4202 1 1099 . 1 1 100 100 GLU HG2 H 1 2.13 . . 1 . . . . . . . . 4202 1 1100 . 1 1 100 100 GLU HG3 H 1 2.13 . . 1 . . . . . . . . 4202 1 1101 . 1 1 100 100 GLU CG C 13 37.4 . . 1 . . . . . . . . 4202 1 1102 . 1 1 101 101 ASP N N 15 127.2 . . 1 . . . . . . . . 4202 1 1103 . 1 1 101 101 ASP H H 1 9.31 . . 1 . . . . . . . . 4202 1 1104 . 1 1 101 101 ASP C C 13 174.5 . . 1 . . . . . . . . 4202 1 1105 . 1 1 101 101 ASP CA C 13 54.7 . . 1 . . . . . . . . 4202 1 1106 . 1 1 101 101 ASP HA H 1 5.13 . . 1 . . . . . . . . 4202 1 1107 . 1 1 101 101 ASP CB C 13 47.1 . . 1 . . . . . . . . 4202 1 1108 . 1 1 101 101 ASP HB2 H 1 2.58 . . 1 . . . . . . . . 4202 1 1109 . 1 1 101 101 ASP HB3 H 1 2.37 . . 1 . . . . . . . . 4202 1 1110 . 1 1 102 102 SER N N 15 119.3 . . 1 . . . . . . . . 4202 1 1111 . 1 1 102 102 SER H H 1 8.98 . . 1 . . . . . . . . 4202 1 1112 . 1 1 102 102 SER C C 13 172.8 . . 1 . . . . . . . . 4202 1 1113 . 1 1 102 102 SER CA C 13 58.4 . . 1 . . . . . . . . 4202 1 1114 . 1 1 102 102 SER HA H 1 4.82 . . 1 . . . . . . . . 4202 1 1115 . 1 1 102 102 SER CB C 13 63.8 . . 1 . . . . . . . . 4202 1 1116 . 1 1 102 102 SER HB2 H 1 4.09 . . 1 . . . . . . . . 4202 1 1117 . 1 1 102 102 SER HB3 H 1 3.94 . . 1 . . . . . . . . 4202 1 1118 . 1 1 103 103 VAL N N 15 124.2 . . 1 . . . . . . . . 4202 1 1119 . 1 1 103 103 VAL H H 1 8.17 . . 1 . . . . . . . . 4202 1 1120 . 1 1 103 103 VAL C C 13 178.4 . . 1 . . . . . . . . 4202 1 1121 . 1 1 103 103 VAL CA C 13 64.1 . . 1 . . . . . . . . 4202 1 1122 . 1 1 103 103 VAL HA H 1 4.06 . . 1 . . . . . . . . 4202 1 1123 . 1 1 103 103 VAL CB C 13 32.0 . . 1 . . . . . . . . 4202 1 1124 . 1 1 103 103 VAL HB H 1 2.44 . . 1 . . . . . . . . 4202 1 1125 . 1 1 103 103 VAL HG11 H 1 0.96 . . 1 . . . . . . . . 4202 1 1126 . 1 1 103 103 VAL HG12 H 1 0.96 . . 1 . . . . . . . . 4202 1 1127 . 1 1 103 103 VAL HG13 H 1 0.96 . . 1 . . . . . . . . 4202 1 1128 . 1 1 103 103 VAL HG21 H 1 0.96 . . 1 . . . . . . . . 4202 1 1129 . 1 1 103 103 VAL HG22 H 1 0.96 . . 1 . . . . . . . . 4202 1 1130 . 1 1 103 103 VAL HG23 H 1 0.96 . . 1 . . . . . . . . 4202 1 1131 . 1 1 103 103 VAL CG1 C 13 22.9 . . 1 . . . . . . . . 4202 1 1132 . 1 1 103 103 VAL CG2 C 13 22.9 . . 1 . . . . . . . . 4202 1 1133 . 1 1 104 104 ILE N N 15 112.5 . . 1 . . . . . . . . 4202 1 1134 . 1 1 104 104 ILE H H 1 8.08 . . 1 . . . . . . . . 4202 1 1135 . 1 1 104 104 ILE C C 13 172.7 . . 1 . . . . . . . . 4202 1 1136 . 1 1 104 104 ILE CA C 13 62.9 . . 1 . . . . . . . . 4202 1 1137 . 1 1 104 104 ILE HA H 1 4.14 . . 1 . . . . . . . . 4202 1 1138 . 1 1 104 104 ILE CB C 13 39.8 . . 1 . . . . . . . . 4202 1 1139 . 1 1 104 104 ILE HB H 1 1.85 . . 1 . . . . . . . . 4202 1 1140 . 1 1 104 104 ILE HG12 H 1 1.33 . . 1 . . . . . . . . 4202 1 1141 . 1 1 104 104 ILE HG13 H 1 1.33 . . 1 . . . . . . . . 4202 1 1142 . 1 1 104 104 ILE HG21 H 1 0.89 . . 1 . . . . . . . . 4202 1 1143 . 1 1 104 104 ILE HG22 H 1 0.89 . . 1 . . . . . . . . 4202 1 1144 . 1 1 104 104 ILE HG23 H 1 0.89 . . 1 . . . . . . . . 4202 1 1145 . 1 1 104 104 ILE HD11 H 1 1.03 . . 1 . . . . . . . . 4202 1 1146 . 1 1 104 104 ILE HD12 H 1 1.03 . . 1 . . . . . . . . 4202 1 1147 . 1 1 104 104 ILE HD13 H 1 1.03 . . 1 . . . . . . . . 4202 1 1148 . 1 1 104 104 ILE CG1 C 13 24.0 . . 1 . . . . . . . . 4202 1 1149 . 1 1 104 104 ILE CG2 C 13 21.7 . . 1 . . . . . . . . 4202 1 1150 . 1 1 104 104 ILE CD1 C 13 19.1 . . 1 . . . . . . . . 4202 1 1151 . 1 1 105 105 SER N N 15 109.0 . . 1 . . . . . . . . 4202 1 1152 . 1 1 105 105 SER H H 1 7.32 . . 1 . . . . . . . . 4202 1 1153 . 1 1 105 105 SER C C 13 173.2 . . 1 . . . . . . . . 4202 1 1154 . 1 1 105 105 SER CA C 13 55.8 . . 1 . . . . . . . . 4202 1 1155 . 1 1 105 105 SER HA H 1 4.52 . . 1 . . . . . . . . 4202 1 1156 . 1 1 105 105 SER CB C 13 65.3 . . 1 . . . . . . . . 4202 1 1157 . 1 1 105 105 SER HB2 H 1 3.84 . . 1 . . . . . . . . 4202 1 1158 . 1 1 105 105 SER HB3 H 1 3.55 . . 1 . . . . . . . . 4202 1 1159 . 1 1 106 106 LEU N N 15 121.7 . . 1 . . . . . . . . 4202 1 1160 . 1 1 106 106 LEU H H 1 8.32 . . 1 . . . . . . . . 4202 1 1161 . 1 1 106 106 LEU C C 13 174.9 . . 1 . . . . . . . . 4202 1 1162 . 1 1 106 106 LEU CA C 13 54.0 . . 1 . . . . . . . . 4202 1 1163 . 1 1 106 106 LEU HA H 1 4.58 . . 1 . . . . . . . . 4202 1 1164 . 1 1 106 106 LEU CB C 13 40.1 . . 1 . . . . . . . . 4202 1 1165 . 1 1 106 106 LEU HB2 H 1 1.87 . . 1 . . . . . . . . 4202 1 1166 . 1 1 106 106 LEU HB3 H 1 1.60 . . 1 . . . . . . . . 4202 1 1167 . 1 1 106 106 LEU HG H 1 1.48 . . 1 . . . . . . . . 4202 1 1168 . 1 1 106 106 LEU HD11 H 1 0.72 . . 1 . . . . . . . . 4202 1 1169 . 1 1 106 106 LEU HD12 H 1 0.72 . . 1 . . . . . . . . 4202 1 1170 . 1 1 106 106 LEU HD13 H 1 0.72 . . 1 . . . . . . . . 4202 1 1171 . 1 1 106 106 LEU HD21 H 1 0.43 . . 1 . . . . . . . . 4202 1 1172 . 1 1 106 106 LEU HD22 H 1 0.43 . . 1 . . . . . . . . 4202 1 1173 . 1 1 106 106 LEU HD23 H 1 0.43 . . 1 . . . . . . . . 4202 1 1174 . 1 1 106 106 LEU CG C 13 26.2 . . 1 . . . . . . . . 4202 1 1175 . 1 1 106 106 LEU CD1 C 13 14.5 . . 1 . . . . . . . . 4202 1 1176 . 1 1 107 107 SER N N 15 111.5 . . 1 . . . . . . . . 4202 1 1177 . 1 1 107 107 SER H H 1 8.16 . . 1 . . . . . . . . 4202 1 1178 . 1 1 107 107 SER C C 13 173.8 . . 1 . . . . . . . . 4202 1 1179 . 1 1 107 107 SER CA C 13 57.8 . . 1 . . . . . . . . 4202 1 1180 . 1 1 107 107 SER HA H 1 4.64 . . 1 . . . . . . . . 4202 1 1181 . 1 1 107 107 SER CB C 13 65.4 . . 1 . . . . . . . . 4202 1 1182 . 1 1 107 107 SER HB2 H 1 3.85 . . 1 . . . . . . . . 4202 1 1183 . 1 1 107 107 SER HB3 H 1 3.85 . . 1 . . . . . . . . 4202 1 1184 . 1 1 107 107 SER HG H 1 5.70 . . 1 . . . . . . . . 4202 1 1185 . 1 1 108 108 GLY N N 15 108.3 . . 1 . . . . . . . . 4202 1 1186 . 1 1 108 108 GLY H H 1 8.68 . . 1 . . . . . . . . 4202 1 1187 . 1 1 108 108 GLY C C 13 175.8 . . 1 . . . . . . . . 4202 1 1188 . 1 1 108 108 GLY CA C 13 44.8 . . 1 . . . . . . . . 4202 1 1189 . 1 1 108 108 GLY HA2 H 1 4.26 . . 1 . . . . . . . . 4202 1 1190 . 1 1 108 108 GLY HA3 H 1 3.89 . . 1 . . . . . . . . 4202 1 1191 . 1 1 109 109 ASP N N 15 121.1 . . 1 . . . . . . . . 4202 1 1192 . 1 1 109 109 ASP H H 1 8.70 . . 1 . . . . . . . . 4202 1 1193 . 1 1 109 109 ASP C C 13 178.1 . . 1 . . . . . . . . 4202 1 1194 . 1 1 109 109 ASP CA C 13 57.0 . . 1 . . . . . . . . 4202 1 1195 . 1 1 109 109 ASP HA H 1 4.34 . . 1 . . . . . . . . 4202 1 1196 . 1 1 109 109 ASP CB C 13 40.0 . . 1 . . . . . . . . 4202 1 1197 . 1 1 109 109 ASP HB2 H 1 2.63 . . 1 . . . . . . . . 4202 1 1198 . 1 1 109 109 ASP HB3 H 1 2.57 . . 1 . . . . . . . . 4202 1 1199 . 1 1 110 110 HIS N N 15 118.4 . . 1 . . . . . . . . 4202 1 1200 . 1 1 110 110 HIS H H 1 9.16 . . 1 . . . . . . . . 4202 1 1201 . 1 1 110 110 HIS C C 13 173.1 . . 1 . . . . . . . . 4202 1 1202 . 1 1 110 110 HIS CA C 13 53.2 . . 1 . . . . . . . . 4202 1 1203 . 1 1 110 110 HIS HA H 1 5.00 . . 1 . . . . . . . . 4202 1 1204 . 1 1 110 110 HIS CB C 13 28.4 . . 1 . . . . . . . . 4202 1 1205 . 1 1 110 110 HIS HB2 H 1 3.53 . . 1 . . . . . . . . 4202 1 1206 . 1 1 110 110 HIS HB3 H 1 3.28 . . 1 . . . . . . . . 4202 1 1207 . 1 1 111 111 SER N N 15 111.0 . . 1 . . . . . . . . 4202 1 1208 . 1 1 111 111 SER H H 1 7.11 . . 1 . . . . . . . . 4202 1 1209 . 1 1 111 111 SER C C 13 177.0 . . 1 . . . . . . . . 4202 1 1210 . 1 1 111 111 SER CA C 13 57.4 . . 1 . . . . . . . . 4202 1 1211 . 1 1 111 111 SER HA H 1 3.94 . . 1 . . . . . . . . 4202 1 1212 . 1 1 111 111 SER CB C 13 64.1 . . 1 . . . . . . . . 4202 1 1213 . 1 1 111 111 SER HB2 H 1 3.71 . . 1 . . . . . . . . 4202 1 1214 . 1 1 111 111 SER HB3 H 1 3.61 . . 1 . . . . . . . . 4202 1 1215 . 1 1 112 112 ILE N N 15 116.7 . . 1 . . . . . . . . 4202 1 1216 . 1 1 112 112 ILE H H 1 7.85 . . 1 . . . . . . . . 4202 1 1217 . 1 1 112 112 ILE C C 13 174.9 . . 1 . . . . . . . . 4202 1 1218 . 1 1 112 112 ILE CA C 13 60.8 . . 1 . . . . . . . . 4202 1 1219 . 1 1 112 112 ILE HA H 1 3.79 . . 1 . . . . . . . . 4202 1 1220 . 1 1 112 112 ILE CB C 13 36.6 . . 1 . . . . . . . . 4202 1 1221 . 1 1 112 112 ILE HB H 1 1.98 . . 1 . . . . . . . . 4202 1 1222 . 1 1 112 112 ILE HG12 H 1 0.68 . . 2 . . . . . . . . 4202 1 1223 . 1 1 112 112 ILE HG13 H 1 1.25 . . 2 . . . . . . . . 4202 1 1224 . 1 1 112 112 ILE HD11 H 1 0.29 . . 1 . . . . . . . . 4202 1 1225 . 1 1 112 112 ILE HD12 H 1 0.29 . . 1 . . . . . . . . 4202 1 1226 . 1 1 112 112 ILE HD13 H 1 0.29 . . 1 . . . . . . . . 4202 1 1227 . 1 1 112 112 ILE CG1 C 13 24.1 . . 1 . . . . . . . . 4202 1 1228 . 1 1 112 112 ILE CG2 C 13 17.4 . . 1 . . . . . . . . 4202 1 1229 . 1 1 112 112 ILE CD1 C 13 14.9 . . 1 . . . . . . . . 4202 1 1230 . 1 1 113 113 ILE N N 15 122.2 . . 1 . . . . . . . . 4202 1 1231 . 1 1 113 113 ILE H H 1 7.77 . . 1 . . . . . . . . 4202 1 1232 . 1 1 113 113 ILE C C 13 177.5 . . 1 . . . . . . . . 4202 1 1233 . 1 1 113 113 ILE CA C 13 61.8 . . 1 . . . . . . . . 4202 1 1234 . 1 1 113 113 ILE HA H 1 3.25 . . 1 . . . . . . . . 4202 1 1235 . 1 1 113 113 ILE CB C 13 34.5 . . 1 . . . . . . . . 4202 1 1236 . 1 1 113 113 ILE HB H 1 1.75 . . 1 . . . . . . . . 4202 1 1237 . 1 1 113 113 ILE HG12 H 1 1.15 . . 2 . . . . . . . . 4202 1 1238 . 1 1 113 113 ILE HG13 H 1 1.38 . . 2 . . . . . . . . 4202 1 1239 . 1 1 113 113 ILE HG21 H 1 0.90 . . 1 . . . . . . . . 4202 1 1240 . 1 1 113 113 ILE HG22 H 1 0.90 . . 1 . . . . . . . . 4202 1 1241 . 1 1 113 113 ILE HG23 H 1 0.90 . . 1 . . . . . . . . 4202 1 1242 . 1 1 113 113 ILE HD11 H 1 0.59 . . 1 . . . . . . . . 4202 1 1243 . 1 1 113 113 ILE HD12 H 1 0.59 . . 1 . . . . . . . . 4202 1 1244 . 1 1 113 113 ILE HD13 H 1 0.59 . . 1 . . . . . . . . 4202 1 1245 . 1 1 113 113 ILE CG1 C 13 27.4 . . 1 . . . . . . . . 4202 1 1246 . 1 1 113 113 ILE CG2 C 13 17.5 . . 1 . . . . . . . . 4202 1 1247 . 1 1 113 113 ILE CD1 C 13 11.2 . . 1 . . . . . . . . 4202 1 1248 . 1 1 114 114 GLY N N 15 117.3 . . 1 . . . . . . . . 4202 1 1249 . 1 1 114 114 GLY H H 1 9.21 . . 1 . . . . . . . . 4202 1 1250 . 1 1 114 114 GLY C C 13 173.2 . . 1 . . . . . . . . 4202 1 1251 . 1 1 114 114 GLY CA C 13 45.0 . . 1 . . . . . . . . 4202 1 1252 . 1 1 114 114 GLY HA2 H 1 3.47 . . 1 . . . . . . . . 4202 1 1253 . 1 1 114 114 GLY HA3 H 1 4.20 . . 1 . . . . . . . . 4202 1 1254 . 1 1 115 115 ARG N N 15 118.4 . . 1 . . . . . . . . 4202 1 1255 . 1 1 115 115 ARG H H 1 7.43 . . 1 . . . . . . . . 4202 1 1256 . 1 1 115 115 ARG C C 13 174.5 . . 1 . . . . . . . . 4202 1 1257 . 1 1 115 115 ARG CA C 13 54.1 . . 1 . . . . . . . . 4202 1 1258 . 1 1 115 115 ARG HA H 1 4.31 . . 1 . . . . . . . . 4202 1 1259 . 1 1 115 115 ARG CB C 13 28.4 . . 1 . . . . . . . . 4202 1 1260 . 1 1 115 115 ARG HB2 H 1 1.35 . . 1 . . . . . . . . 4202 1 1261 . 1 1 115 115 ARG HB3 H 1 1.35 . . 1 . . . . . . . . 4202 1 1262 . 1 1 115 115 ARG HG2 H 1 0.73 . . 1 . . . . . . . . 4202 1 1263 . 1 1 115 115 ARG HG3 H 1 0.99 . . 1 . . . . . . . . 4202 1 1264 . 1 1 115 115 ARG HD2 H 1 2.08 . . 1 . . . . . . . . 4202 1 1265 . 1 1 115 115 ARG HD3 H 1 2.44 . . 1 . . . . . . . . 4202 1 1266 . 1 1 115 115 ARG CG C 13 28.7 . . 1 . . . . . . . . 4202 1 1267 . 1 1 115 115 ARG CD C 13 42.4 . . 1 . . . . . . . . 4202 1 1268 . 1 1 116 116 THR N N 15 113.7 . . 1 . . . . . . . . 4202 1 1269 . 1 1 116 116 THR H H 1 6.98 . . 1 . . . . . . . . 4202 1 1270 . 1 1 116 116 THR C C 13 173.1 . . 1 . . . . . . . . 4202 1 1271 . 1 1 116 116 THR CA C 13 63.0 . . 1 . . . . . . . . 4202 1 1272 . 1 1 116 116 THR HA H 1 4.82 . . 1 . . . . . . . . 4202 1 1273 . 1 1 116 116 THR CB C 13 70.5 . . 1 . . . . . . . . 4202 1 1274 . 1 1 116 116 THR HB H 1 3.70 . . 1 . . . . . . . . 4202 1 1275 . 1 1 116 116 THR HG21 H 1 1.03 . . 1 . . . . . . . . 4202 1 1276 . 1 1 116 116 THR HG22 H 1 1.03 . . 1 . . . . . . . . 4202 1 1277 . 1 1 116 116 THR HG23 H 1 1.03 . . 1 . . . . . . . . 4202 1 1278 . 1 1 116 116 THR CG2 C 13 22.4 . . 1 . . . . . . . . 4202 1 1279 . 1 1 117 117 LEU N N 15 132.3 . . 1 . . . . . . . . 4202 1 1280 . 1 1 117 117 LEU H H 1 9.23 . . 1 . . . . . . . . 4202 1 1281 . 1 1 117 117 LEU C C 13 174.7 . . 1 . . . . . . . . 4202 1 1282 . 1 1 117 117 LEU CA C 13 53.8 . . 1 . . . . . . . . 4202 1 1283 . 1 1 117 117 LEU HA H 1 4.80 . . 1 . . . . . . . . 4202 1 1284 . 1 1 117 117 LEU CB C 13 44.1 . . 1 . . . . . . . . 4202 1 1285 . 1 1 117 117 LEU HB2 H 1 1.81 . . 1 . . . . . . . . 4202 1 1286 . 1 1 117 117 LEU HB3 H 1 1.22 . . 1 . . . . . . . . 4202 1 1287 . 1 1 117 117 LEU HG H 1 1.02 . . 1 . . . . . . . . 4202 1 1288 . 1 1 117 117 LEU HD11 H 1 0.83 . . 1 . . . . . . . . 4202 1 1289 . 1 1 117 117 LEU HD12 H 1 0.83 . . 1 . . . . . . . . 4202 1 1290 . 1 1 117 117 LEU HD13 H 1 0.83 . . 1 . . . . . . . . 4202 1 1291 . 1 1 117 117 LEU HD21 H 1 0.18 . . 1 . . . . . . . . 4202 1 1292 . 1 1 117 117 LEU HD22 H 1 0.18 . . 1 . . . . . . . . 4202 1 1293 . 1 1 117 117 LEU HD23 H 1 0.18 . . 1 . . . . . . . . 4202 1 1294 . 1 1 117 117 LEU CG C 13 27.1 . . 1 . . . . . . . . 4202 1 1295 . 1 1 117 117 LEU CD1 C 13 20.5 . . 1 . . . . . . . . 4202 1 1296 . 1 1 117 117 LEU CD2 C 13 20.5 . . 1 . . . . . . . . 4202 1 1297 . 1 1 118 118 VAL N N 15 125.7 . . 1 . . . . . . . . 4202 1 1298 . 1 1 118 118 VAL H H 1 8.95 . . 1 . . . . . . . . 4202 1 1299 . 1 1 118 118 VAL C C 13 173.8 . . 1 . . . . . . . . 4202 1 1300 . 1 1 118 118 VAL CA C 13 61.4 . . 1 . . . . . . . . 4202 1 1301 . 1 1 118 118 VAL HA H 1 4.68 . . 1 . . . . . . . . 4202 1 1302 . 1 1 118 118 VAL CB C 13 35.8 . . 1 . . . . . . . . 4202 1 1303 . 1 1 118 118 VAL HB H 1 2.10 . . 1 . . . . . . . . 4202 1 1304 . 1 1 118 118 VAL HG11 H 1 0.28 . . 1 . . . . . . . . 4202 1 1305 . 1 1 118 118 VAL HG12 H 1 0.28 . . 1 . . . . . . . . 4202 1 1306 . 1 1 118 118 VAL HG13 H 1 0.28 . . 1 . . . . . . . . 4202 1 1307 . 1 1 118 118 VAL HG21 H 1 0.30 . . 1 . . . . . . . . 4202 1 1308 . 1 1 118 118 VAL HG22 H 1 0.30 . . 1 . . . . . . . . 4202 1 1309 . 1 1 118 118 VAL HG23 H 1 0.30 . . 1 . . . . . . . . 4202 1 1310 . 1 1 118 118 VAL CG1 C 13 21.6 . . 1 . . . . . . . . 4202 1 1311 . 1 1 118 118 VAL CG2 C 13 21.6 . . 1 . . . . . . . . 4202 1 1312 . 1 1 119 119 VAL N N 15 121.9 . . 1 . . . . . . . . 4202 1 1313 . 1 1 119 119 VAL H H 1 8.04 . . 1 . . . . . . . . 4202 1 1314 . 1 1 119 119 VAL C C 13 174.6 . . 1 . . . . . . . . 4202 1 1315 . 1 1 119 119 VAL CA C 13 58.4 . . 1 . . . . . . . . 4202 1 1316 . 1 1 119 119 VAL HA H 1 5.71 . . 1 . . . . . . . . 4202 1 1317 . 1 1 119 119 VAL CB C 13 35.4 . . 1 . . . . . . . . 4202 1 1318 . 1 1 119 119 VAL HB H 1 1.82 . . 1 . . . . . . . . 4202 1 1319 . 1 1 119 119 VAL HG11 H 1 1.02 . . 1 . . . . . . . . 4202 1 1320 . 1 1 119 119 VAL HG12 H 1 1.02 . . 1 . . . . . . . . 4202 1 1321 . 1 1 119 119 VAL HG13 H 1 1.02 . . 1 . . . . . . . . 4202 1 1322 . 1 1 119 119 VAL HG21 H 1 0.84 . . 1 . . . . . . . . 4202 1 1323 . 1 1 119 119 VAL HG22 H 1 0.84 . . 1 . . . . . . . . 4202 1 1324 . 1 1 119 119 VAL HG23 H 1 0.84 . . 1 . . . . . . . . 4202 1 1325 . 1 1 119 119 VAL CG1 C 13 22.3 . . 1 . . . . . . . . 4202 1 1326 . 1 1 119 119 VAL CG2 C 13 22.3 . . 1 . . . . . . . . 4202 1 1327 . 1 1 120 120 HIS N N 15 126.3 . . 1 . . . . . . . . 4202 1 1328 . 1 1 120 120 HIS H H 1 8.93 . . 1 . . . . . . . . 4202 1 1329 . 1 1 120 120 HIS C C 13 176.0 . . 1 . . . . . . . . 4202 1 1330 . 1 1 120 120 HIS CA C 13 56.7 . . 1 . . . . . . . . 4202 1 1331 . 1 1 120 120 HIS HA H 1 5.33 . . 1 . . . . . . . . 4202 1 1332 . 1 1 120 120 HIS CB C 13 33.4 . . 1 . . . . . . . . 4202 1 1333 . 1 1 120 120 HIS HB2 H 1 4.14 . . 1 . . . . . . . . 4202 1 1334 . 1 1 120 120 HIS HB3 H 1 3.00 . . 1 . . . . . . . . 4202 1 1335 . 1 1 120 120 HIS HD1 H 1 10.4 . . 1 . . . . . . . . 4202 1 1336 . 1 1 120 120 HIS HD2 H 1 6.56 . . 1 . . . . . . . . 4202 1 1337 . 1 1 120 120 HIS HE1 H 1 8.21 . . 1 . . . . . . . . 4202 1 1338 . 1 1 120 120 HIS ND1 N 15 165.0 . . 1 . . . . . . . . 4202 1 1339 . 1 1 120 120 HIS NE2 N 15 225.0 . . 1 . . . . . . . . 4202 1 1340 . 1 1 121 121 GLU N N 15 122.4 . . 1 . . . . . . . . 4202 1 1341 . 1 1 121 121 GLU H H 1 9.19 . . 1 . . . . . . . . 4202 1 1342 . 1 1 121 121 GLU C C 13 175.5 . . 1 . . . . . . . . 4202 1 1343 . 1 1 121 121 GLU CA C 13 59.0 . . 1 . . . . . . . . 4202 1 1344 . 1 1 121 121 GLU HA H 1 4.12 . . 1 . . . . . . . . 4202 1 1345 . 1 1 121 121 GLU CB C 13 32.5 . . 1 . . . . . . . . 4202 1 1346 . 1 1 121 121 GLU HB2 H 1 2.38 . . 1 . . . . . . . . 4202 1 1347 . 1 1 121 121 GLU HB3 H 1 2.27 . . 1 . . . . . . . . 4202 1 1348 . 1 1 121 121 GLU HG2 H 1 2.48 . . 1 . . . . . . . . 4202 1 1349 . 1 1 121 121 GLU HG3 H 1 2.48 . . 1 . . . . . . . . 4202 1 1350 . 1 1 121 121 GLU CG C 13 35.0 . . 1 . . . . . . . . 4202 1 1351 . 1 1 122 122 LYS N N 15 116.1 . . 1 . . . . . . . . 4202 1 1352 . 1 1 122 122 LYS H H 1 8.43 . . 1 . . . . . . . . 4202 1 1353 . 1 1 122 122 LYS C C 13 174.7 . . 1 . . . . . . . . 4202 1 1354 . 1 1 122 122 LYS CA C 13 53.9 . . 1 . . . . . . . . 4202 1 1355 . 1 1 122 122 LYS HA H 1 4.72 . . 1 . . . . . . . . 4202 1 1356 . 1 1 122 122 LYS CB C 13 34.8 . . 1 . . . . . . . . 4202 1 1357 . 1 1 122 122 LYS HB2 H 1 1.99 . . 1 . . . . . . . . 4202 1 1358 . 1 1 122 122 LYS HB3 H 1 1.75 . . 1 . . . . . . . . 4202 1 1359 . 1 1 122 122 LYS HG2 H 1 1.36 . . 1 . . . . . . . . 4202 1 1360 . 1 1 122 122 LYS HG3 H 1 1.36 . . 1 . . . . . . . . 4202 1 1361 . 1 1 122 122 LYS HD2 H 1 1.65 . . 1 . . . . . . . . 4202 1 1362 . 1 1 122 122 LYS HD3 H 1 1.65 . . 1 . . . . . . . . 4202 1 1363 . 1 1 122 122 LYS HE2 H 1 3.01 . . 1 . . . . . . . . 4202 1 1364 . 1 1 122 122 LYS HE3 H 1 3.01 . . 1 . . . . . . . . 4202 1 1365 . 1 1 122 122 LYS CG C 13 24.4 . . 1 . . . . . . . . 4202 1 1366 . 1 1 122 122 LYS CD C 13 29.3 . . 1 . . . . . . . . 4202 1 1367 . 1 1 122 122 LYS CE C 13 41.8 . . 1 . . . . . . . . 4202 1 1368 . 1 1 123 123 ALA N N 15 121.9 . . 1 . . . . . . . . 4202 1 1369 . 1 1 123 123 ALA H H 1 7.82 . . 1 . . . . . . . . 4202 1 1370 . 1 1 123 123 ALA C C 13 176.5 . . 1 . . . . . . . . 4202 1 1371 . 1 1 123 123 ALA CA C 13 52.2 . . 1 . . . . . . . . 4202 1 1372 . 1 1 123 123 ALA HA H 1 3.64 . . 1 . . . . . . . . 4202 1 1373 . 1 1 123 123 ALA CB C 13 19.9 . . 1 . . . . . . . . 4202 1 1374 . 1 1 123 123 ALA HB1 H 1 1.11 . . 1 . . . . . . . . 4202 1 1375 . 1 1 123 123 ALA HB2 H 1 1.11 . . 1 . . . . . . . . 4202 1 1376 . 1 1 123 123 ALA HB3 H 1 1.11 . . 1 . . . . . . . . 4202 1 1377 . 1 1 124 124 ASP N N 15 122.9 . . 1 . . . . . . . . 4202 1 1378 . 1 1 124 124 ASP H H 1 10.19 . . 1 . . . . . . . . 4202 1 1379 . 1 1 124 124 ASP C C 13 177.6 . . 1 . . . . . . . . 4202 1 1380 . 1 1 124 124 ASP CA C 13 52.7 . . 1 . . . . . . . . 4202 1 1381 . 1 1 124 124 ASP HA H 1 4.64 . . 1 . . . . . . . . 4202 1 1382 . 1 1 124 124 ASP CB C 13 42.9 . . 1 . . . . . . . . 4202 1 1383 . 1 1 124 124 ASP HB2 H 1 3.08 . . 1 . . . . . . . . 4202 1 1384 . 1 1 124 124 ASP HB3 H 1 2.44 . . 1 . . . . . . . . 4202 1 1385 . 1 1 125 125 ASP N N 15 130.4 . . 1 . . . . . . . . 4202 1 1386 . 1 1 125 125 ASP H H 1 10.02 . . 1 . . . . . . . . 4202 1 1387 . 1 1 125 125 ASP C C 13 178.4 . . 1 . . . . . . . . 4202 1 1388 . 1 1 125 125 ASP CA C 13 54.3 . . 1 . . . . . . . . 4202 1 1389 . 1 1 125 125 ASP HA H 1 4.30 . . 1 . . . . . . . . 4202 1 1390 . 1 1 125 125 ASP CB C 13 39.3 . . 1 . . . . . . . . 4202 1 1391 . 1 1 125 125 ASP HB2 H 1 2.96 . . 1 . . . . . . . . 4202 1 1392 . 1 1 125 125 ASP HB3 H 1 2.65 . . 1 . . . . . . . . 4202 1 1393 . 1 1 126 126 LEU N N 15 117.9 . . 1 . . . . . . . . 4202 1 1394 . 1 1 126 126 LEU H H 1 10.53 . . 1 . . . . . . . . 4202 1 1395 . 1 1 126 126 LEU C C 13 177.0 . . 1 . . . . . . . . 4202 1 1396 . 1 1 126 126 LEU CA C 13 54.6 . . 1 . . . . . . . . 4202 1 1397 . 1 1 126 126 LEU HA H 1 3.44 . . 1 . . . . . . . . 4202 1 1398 . 1 1 126 126 LEU CB C 13 38.0 . . 1 . . . . . . . . 4202 1 1399 . 1 1 126 126 LEU HB2 H 1 2.13 . . 1 . . . . . . . . 4202 1 1400 . 1 1 126 126 LEU HB3 H 1 1.61 . . 1 . . . . . . . . 4202 1 1401 . 1 1 126 126 LEU HG H 1 1.48 . . 1 . . . . . . . . 4202 1 1402 . 1 1 126 126 LEU HD11 H 1 0.97 . . 1 . . . . . . . . 4202 1 1403 . 1 1 126 126 LEU HD12 H 1 0.97 . . 1 . . . . . . . . 4202 1 1404 . 1 1 126 126 LEU HD13 H 1 0.97 . . 1 . . . . . . . . 4202 1 1405 . 1 1 126 126 LEU HD21 H 1 0.82 . . 1 . . . . . . . . 4202 1 1406 . 1 1 126 126 LEU HD22 H 1 0.82 . . 1 . . . . . . . . 4202 1 1407 . 1 1 126 126 LEU HD23 H 1 0.82 . . 1 . . . . . . . . 4202 1 1408 . 1 1 126 126 LEU CG C 13 25.6 . . 1 . . . . . . . . 4202 1 1409 . 1 1 126 126 LEU CD1 C 13 25.7 . . 1 . . . . . . . . 4202 1 1410 . 1 1 126 126 LEU CD2 C 13 21.9 . . 1 . . . . . . . . 4202 1 1411 . 1 1 127 127 GLY N N 15 104.8 . . 1 . . . . . . . . 4202 1 1412 . 1 1 127 127 GLY H H 1 8.73 . . 1 . . . . . . . . 4202 1 1413 . 1 1 127 127 GLY C C 13 177.1 . . 1 . . . . . . . . 4202 1 1414 . 1 1 127 127 GLY CA C 13 45.6 . . 1 . . . . . . . . 4202 1 1415 . 1 1 127 127 GLY HA2 H 1 4.15 . . 1 . . . . . . . . 4202 1 1416 . 1 1 127 127 GLY HA3 H 1 3.96 . . 1 . . . . . . . . 4202 1 1417 . 1 1 128 128 LYS N N 15 119.2 . . 1 . . . . . . . . 4202 1 1418 . 1 1 128 128 LYS H H 1 7.28 . . 1 . . . . . . . . 4202 1 1419 . 1 1 128 128 LYS C C 13 177.5 . . 1 . . . . . . . . 4202 1 1420 . 1 1 128 128 LYS CA C 13 54.5 . . 1 . . . . . . . . 4202 1 1421 . 1 1 128 128 LYS HA H 1 4.56 . . 1 . . . . . . . . 4202 1 1422 . 1 1 128 128 LYS CB C 13 31.7 . . 1 . . . . . . . . 4202 1 1423 . 1 1 128 128 LYS HB2 H 1 2.18 . . 1 . . . . . . . . 4202 1 1424 . 1 1 128 128 LYS HB3 H 1 1.64 . . 1 . . . . . . . . 4202 1 1425 . 1 1 128 128 LYS HG2 H 1 1.29 . . 2 . . . . . . . . 4202 1 1426 . 1 1 128 128 LYS HG3 H 1 1.36 . . 2 . . . . . . . . 4202 1 1427 . 1 1 128 128 LYS HD2 H 1 1.61 . . 1 . . . . . . . . 4202 1 1428 . 1 1 128 128 LYS HD3 H 1 1.61 . . 1 . . . . . . . . 4202 1 1429 . 1 1 128 128 LYS HE2 H 1 3.09 . . 1 . . . . . . . . 4202 1 1430 . 1 1 128 128 LYS HE3 H 1 3.09 . . 1 . . . . . . . . 4202 1 1431 . 1 1 128 128 LYS CG C 13 24.2 . . 1 . . . . . . . . 4202 1 1432 . 1 1 128 128 LYS CD C 13 28.1 . . 1 . . . . . . . . 4202 1 1433 . 1 1 128 128 LYS CE C 13 42.3 . . 1 . . . . . . . . 4202 1 1434 . 1 1 129 129 GLY N N 15 108.8 . . 1 . . . . . . . . 4202 1 1435 . 1 1 129 129 GLY H H 1 8.54 . . 1 . . . . . . . . 4202 1 1436 . 1 1 129 129 GLY C C 13 175.3 . . 1 . . . . . . . . 4202 1 1437 . 1 1 129 129 GLY CA C 13 45.8 . . 1 . . . . . . . . 4202 1 1438 . 1 1 129 129 GLY HA2 H 1 3.75 . . 1 . . . . . . . . 4202 1 1439 . 1 1 129 129 GLY HA3 H 1 4.06 . . 1 . . . . . . . . 4202 1 1440 . 1 1 130 130 GLY N N 15 108.1 . . 1 . . . . . . . . 4202 1 1441 . 1 1 130 130 GLY H H 1 8.88 . . 1 . . . . . . . . 4202 1 1442 . 1 1 130 130 GLY C C 13 173.5 . . 1 . . . . . . . . 4202 1 1443 . 1 1 130 130 GLY CA C 13 45.8 . . 1 . . . . . . . . 4202 1 1444 . 1 1 130 130 GLY HA2 H 1 3.76 . . 1 . . . . . . . . 4202 1 1445 . 1 1 130 130 GLY HA3 H 1 4.00 . . 1 . . . . . . . . 4202 1 1446 . 1 1 131 131 ASN N N 15 113.1 . . 1 . . . . . . . . 4202 1 1447 . 1 1 131 131 ASN H H 1 7.14 . . 1 . . . . . . . . 4202 1 1448 . 1 1 131 131 ASN C C 13 175.5 . . 1 . . . . . . . . 4202 1 1449 . 1 1 131 131 ASN CA C 13 50.7 . . 1 . . . . . . . . 4202 1 1450 . 1 1 131 131 ASN HA H 1 4.83 . . 1 . . . . . . . . 4202 1 1451 . 1 1 131 131 ASN CB C 13 40.4 . . 1 . . . . . . . . 4202 1 1452 . 1 1 131 131 ASN HB2 H 1 3.19 . . 1 . . . . . . . . 4202 1 1453 . 1 1 131 131 ASN HB3 H 1 2.94 . . 1 . . . . . . . . 4202 1 1454 . 1 1 131 131 ASN HD21 H 1 6.69 . . 1 . . . . . . . . 4202 1 1455 . 1 1 131 131 ASN HD22 H 1 7.54 . . 1 . . . . . . . . 4202 1 1456 . 1 1 131 131 ASN ND2 N 15 114.1 . . 1 . . . . . . . . 4202 1 1457 . 1 1 132 132 GLU C C 13 174.8 . . 1 . . . . . . . . 4202 1 1458 . 1 1 132 132 GLU CA C 13 59.3 . . 1 . . . . . . . . 4202 1 1459 . 1 1 132 132 GLU HA H 1 4.06 . . 1 . . . . . . . . 4202 1 1460 . 1 1 132 132 GLU CB C 13 29.1 . . 1 . . . . . . . . 4202 1 1461 . 1 1 132 132 GLU HB2 H 1 2.08 . . 1 . . . . . . . . 4202 1 1462 . 1 1 132 132 GLU HB3 H 1 2.00 . . 1 . . . . . . . . 4202 1 1463 . 1 1 132 132 GLU HG2 H 1 2.19 . . 2 . . . . . . . . 4202 1 1464 . 1 1 132 132 GLU HG3 H 1 2.32 . . 2 . . . . . . . . 4202 1 1465 . 1 1 132 132 GLU CG C 13 36.0 . . 1 . . . . . . . . 4202 1 1466 . 1 1 133 133 GLN N N 15 118.4 . . 1 . . . . . . . . 4202 1 1467 . 1 1 133 133 GLN H H 1 8.70 . . 1 . . . . . . . . 4202 1 1468 . 1 1 133 133 GLN C C 13 179.3 . . 1 . . . . . . . . 4202 1 1469 . 1 1 133 133 GLN CA C 13 58.1 . . 1 . . . . . . . . 4202 1 1470 . 1 1 133 133 GLN HA H 1 4.01 . . 1 . . . . . . . . 4202 1 1471 . 1 1 133 133 GLN CB C 13 28.1 . . 1 . . . . . . . . 4202 1 1472 . 1 1 133 133 GLN HB2 H 1 2.09 . . 1 . . . . . . . . 4202 1 1473 . 1 1 133 133 GLN HB3 H 1 2.09 . . 1 . . . . . . . . 4202 1 1474 . 1 1 133 133 GLN HG2 H 1 2.33 . . 2 . . . . . . . . 4202 1 1475 . 1 1 133 133 GLN HG3 H 1 2.46 . . 2 . . . . . . . . 4202 1 1476 . 1 1 133 133 GLN HE21 H 1 7.45 . . 2 . . . . . . . . 4202 1 1477 . 1 1 133 133 GLN HE22 H 1 8.48 . . 2 . . . . . . . . 4202 1 1478 . 1 1 133 133 GLN CG C 13 34.0 . . 1 . . . . . . . . 4202 1 1479 . 1 1 133 133 GLN NE2 N 15 117.9 . . 1 . . . . . . . . 4202 1 1480 . 1 1 134 134 SER N N 15 117.0 . . 1 . . . . . . . . 4202 1 1481 . 1 1 134 134 SER H H 1 8.19 . . 1 . . . . . . . . 4202 1 1482 . 1 1 134 134 SER C C 13 176.4 . . 1 . . . . . . . . 4202 1 1483 . 1 1 134 134 SER CA C 13 62.1 . . 1 . . . . . . . . 4202 1 1484 . 1 1 134 134 SER HA H 1 3.85 . . 1 . . . . . . . . 4202 1 1485 . 1 1 134 134 SER CB C 13 63.6 . . 1 . . . . . . . . 4202 1 1486 . 1 1 134 134 SER HB2 H 1 3.75 . . 1 . . . . . . . . 4202 1 1487 . 1 1 134 134 SER HB3 H 1 3.93 . . 1 . . . . . . . . 4202 1 1488 . 1 1 135 135 THR N N 15 103.2 . . 1 . . . . . . . . 4202 1 1489 . 1 1 135 135 THR H H 1 7.23 . . 1 . . . . . . . . 4202 1 1490 . 1 1 135 135 THR C C 13 174.2 . . 1 . . . . . . . . 4202 1 1491 . 1 1 135 135 THR CA C 13 62.8 . . 1 . . . . . . . . 4202 1 1492 . 1 1 135 135 THR HA H 1 4.63 . . 1 . . . . . . . . 4202 1 1493 . 1 1 135 135 THR CB C 13 69.2 . . 1 . . . . . . . . 4202 1 1494 . 1 1 135 135 THR HB H 1 4.63 . . 1 . . . . . . . . 4202 1 1495 . 1 1 135 135 THR HG21 H 1 1.44 . . 1 . . . . . . . . 4202 1 1496 . 1 1 135 135 THR HG22 H 1 1.44 . . 1 . . . . . . . . 4202 1 1497 . 1 1 135 135 THR HG23 H 1 1.44 . . 1 . . . . . . . . 4202 1 1498 . 1 1 135 135 THR CG2 C 13 21.7 . . 1 . . . . . . . . 4202 1 1499 . 1 1 136 136 LYS N N 15 122.8 . . 1 . . . . . . . . 4202 1 1500 . 1 1 136 136 LYS H H 1 7.70 . . 1 . . . . . . . . 4202 1 1501 . 1 1 136 136 LYS C C 13 176.7 . . 1 . . . . . . . . 4202 1 1502 . 1 1 136 136 LYS CA C 13 58.6 . . 1 . . . . . . . . 4202 1 1503 . 1 1 136 136 LYS HA H 1 4.69 . . 1 . . . . . . . . 4202 1 1504 . 1 1 136 136 LYS CB C 13 35.4 . . 1 . . . . . . . . 4202 1 1505 . 1 1 136 136 LYS HB2 H 1 1.91 . . 1 . . . . . . . . 4202 1 1506 . 1 1 136 136 LYS HB3 H 1 1.77 . . 1 . . . . . . . . 4202 1 1507 . 1 1 136 136 LYS HG2 H 1 1.38 . . 2 . . . . . . . . 4202 1 1508 . 1 1 136 136 LYS HG3 H 1 1.55 . . 2 . . . . . . . . 4202 1 1509 . 1 1 136 136 LYS HD2 H 1 1.69 . . 1 . . . . . . . . 4202 1 1510 . 1 1 136 136 LYS HD3 H 1 1.69 . . 1 . . . . . . . . 4202 1 1511 . 1 1 136 136 LYS HE2 H 1 2.90 . . 1 . . . . . . . . 4202 1 1512 . 1 1 136 136 LYS HE3 H 1 2.90 . . 1 . . . . . . . . 4202 1 1513 . 1 1 136 136 LYS CG C 13 25.0 . . 1 . . . . . . . . 4202 1 1514 . 1 1 136 136 LYS CD C 13 29.2 . . 1 . . . . . . . . 4202 1 1515 . 1 1 136 136 LYS CE C 13 42.0 . . 1 . . . . . . . . 4202 1 1516 . 1 1 137 137 THR N N 15 106.8 . . 1 . . . . . . . . 4202 1 1517 . 1 1 137 137 THR H H 1 8.48 . . 1 . . . . . . . . 4202 1 1518 . 1 1 137 137 THR C C 13 176.0 . . 1 . . . . . . . . 4202 1 1519 . 1 1 137 137 THR CA C 13 60.1 . . 1 . . . . . . . . 4202 1 1520 . 1 1 137 137 THR HA H 1 3.62 . . 1 . . . . . . . . 4202 1 1521 . 1 1 137 137 THR CB C 13 71.6 . . 1 . . . . . . . . 4202 1 1522 . 1 1 137 137 THR HB H 1 4.39 . . 1 . . . . . . . . 4202 1 1523 . 1 1 137 137 THR HG21 H 1 0.99 . . 1 . . . . . . . . 4202 1 1524 . 1 1 137 137 THR HG22 H 1 0.99 . . 1 . . . . . . . . 4202 1 1525 . 1 1 137 137 THR HG23 H 1 0.99 . . 1 . . . . . . . . 4202 1 1526 . 1 1 137 137 THR CG2 C 13 21.1 . . 1 . . . . . . . . 4202 1 1527 . 1 1 138 138 GLY N N 15 111.5 . . 1 . . . . . . . . 4202 1 1528 . 1 1 138 138 GLY H H 1 7.36 . . 1 . . . . . . . . 4202 1 1529 . 1 1 138 138 GLY C C 13 173.3 . . 1 . . . . . . . . 4202 1 1530 . 1 1 138 138 GLY CA C 13 45.8 . . 1 . . . . . . . . 4202 1 1531 . 1 1 138 138 GLY HA2 H 1 4.18 . . 1 . . . . . . . . 4202 1 1532 . 1 1 138 138 GLY HA3 H 1 4.39 . . 1 . . . . . . . . 4202 1 1533 . 1 1 139 139 ASN N N 15 109.0 . . 1 . . . . . . . . 4202 1 1534 . 1 1 139 139 ASN H H 1 7.86 . . 1 . . . . . . . . 4202 1 1535 . 1 1 139 139 ASN C C 13 174.0 . . 1 . . . . . . . . 4202 1 1536 . 1 1 139 139 ASN CA C 13 55.4 . . 1 . . . . . . . . 4202 1 1537 . 1 1 139 139 ASN HA H 1 4.02 . . 1 . . . . . . . . 4202 1 1538 . 1 1 139 139 ASN CB C 13 36.8 . . 1 . . . . . . . . 4202 1 1539 . 1 1 139 139 ASN HB2 H 1 2.90 . . 1 . . . . . . . . 4202 1 1540 . 1 1 139 139 ASN HB3 H 1 2.90 . . 1 . . . . . . . . 4202 1 1541 . 1 1 140 140 ALA N N 15 115.6 . . 1 . . . . . . . . 4202 1 1542 . 1 1 140 140 ALA H H 1 6.45 . . 1 . . . . . . . . 4202 1 1543 . 1 1 140 140 ALA C C 13 176.5 . . 1 . . . . . . . . 4202 1 1544 . 1 1 140 140 ALA CA C 13 52.9 . . 1 . . . . . . . . 4202 1 1545 . 1 1 140 140 ALA HA H 1 4.16 . . 1 . . . . . . . . 4202 1 1546 . 1 1 140 140 ALA CB C 13 17.6 . . 1 . . . . . . . . 4202 1 1547 . 1 1 140 140 ALA HB1 H 1 1.04 . . 1 . . . . . . . . 4202 1 1548 . 1 1 140 140 ALA HB2 H 1 1.04 . . 1 . . . . . . . . 4202 1 1549 . 1 1 140 140 ALA HB3 H 1 1.04 . . 1 . . . . . . . . 4202 1 1550 . 1 1 141 141 GLY N N 15 105.8 . . 1 . . . . . . . . 4202 1 1551 . 1 1 141 141 GLY H H 1 8.25 . . 1 . . . . . . . . 4202 1 1552 . 1 1 141 141 GLY C C 13 176.7 . . 1 . . . . . . . . 4202 1 1553 . 1 1 141 141 GLY CA C 13 45.3 . . 1 . . . . . . . . 4202 1 1554 . 1 1 141 141 GLY HA2 H 1 3.90 . . 1 . . . . . . . . 4202 1 1555 . 1 1 141 141 GLY HA3 H 1 4.20 . . 1 . . . . . . . . 4202 1 1556 . 1 1 142 142 SER N N 15 120.5 . . 1 . . . . . . . . 4202 1 1557 . 1 1 142 142 SER H H 1 9.30 . . 1 . . . . . . . . 4202 1 1558 . 1 1 142 142 SER C C 13 173.5 . . 1 . . . . . . . . 4202 1 1559 . 1 1 142 142 SER CA C 13 59.6 . . 1 . . . . . . . . 4202 1 1560 . 1 1 142 142 SER HA H 1 4.38 . . 1 . . . . . . . . 4202 1 1561 . 1 1 142 142 SER CB C 13 63.6 . . 1 . . . . . . . . 4202 1 1562 . 1 1 142 142 SER HB2 H 1 3.94 . . 1 . . . . . . . . 4202 1 1563 . 1 1 142 142 SER HB3 H 1 3.94 . . 1 . . . . . . . . 4202 1 1564 . 1 1 143 143 ARG N N 15 122.3 . . 1 . . . . . . . . 4202 1 1565 . 1 1 143 143 ARG H H 1 8.93 . . 1 . . . . . . . . 4202 1 1566 . 1 1 143 143 ARG C C 13 174.9 . . 1 . . . . . . . . 4202 1 1567 . 1 1 143 143 ARG CA C 13 55.7 . . 1 . . . . . . . . 4202 1 1568 . 1 1 143 143 ARG HA H 1 3.73 . . 1 . . . . . . . . 4202 1 1569 . 1 1 143 143 ARG CB C 13 29.3 . . 1 . . . . . . . . 4202 1 1570 . 1 1 143 143 ARG HB2 H 1 1.96 . . 1 . . . . . . . . 4202 1 1571 . 1 1 143 143 ARG HB3 H 1 1.93 . . 1 . . . . . . . . 4202 1 1572 . 1 1 143 143 ARG HG2 H 1 1.16 . . 1 . . . . . . . . 4202 1 1573 . 1 1 143 143 ARG HG3 H 1 1.16 . . 1 . . . . . . . . 4202 1 1574 . 1 1 143 143 ARG HD2 H 1 2.94 . . 2 . . . . . . . . 4202 1 1575 . 1 1 143 143 ARG HD3 H 1 3.10 . . 2 . . . . . . . . 4202 1 1576 . 1 1 143 143 ARG CG C 13 27.4 . . 1 . . . . . . . . 4202 1 1577 . 1 1 143 143 ARG CD C 13 43.8 . . 1 . . . . . . . . 4202 1 1578 . 1 1 144 144 LEU N N 15 122.8 . . 1 . . . . . . . . 4202 1 1579 . 1 1 144 144 LEU H H 1 8.56 . . 1 . . . . . . . . 4202 1 1580 . 1 1 144 144 LEU C C 13 177.1 . . 1 . . . . . . . . 4202 1 1581 . 1 1 144 144 LEU CA C 13 55.8 . . 1 . . . . . . . . 4202 1 1582 . 1 1 144 144 LEU HA H 1 4.27 . . 1 . . . . . . . . 4202 1 1583 . 1 1 144 144 LEU CB C 13 43.3 . . 1 . . . . . . . . 4202 1 1584 . 1 1 144 144 LEU HB2 H 1 1.46 . . 1 . . . . . . . . 4202 1 1585 . 1 1 144 144 LEU HB3 H 1 1.35 . . 1 . . . . . . . . 4202 1 1586 . 1 1 144 144 LEU HG H 1 1.37 . . 1 . . . . . . . . 4202 1 1587 . 1 1 144 144 LEU HD11 H 1 0.90 . . 1 . . . . . . . . 4202 1 1588 . 1 1 144 144 LEU HD12 H 1 0.90 . . 1 . . . . . . . . 4202 1 1589 . 1 1 144 144 LEU HD13 H 1 0.90 . . 1 . . . . . . . . 4202 1 1590 . 1 1 144 144 LEU HD21 H 1 0.86 . . 1 . . . . . . . . 4202 1 1591 . 1 1 144 144 LEU HD22 H 1 0.86 . . 1 . . . . . . . . 4202 1 1592 . 1 1 144 144 LEU HD23 H 1 0.86 . . 1 . . . . . . . . 4202 1 1593 . 1 1 144 144 LEU CG C 13 28.0 . . 1 . . . . . . . . 4202 1 1594 . 1 1 144 144 LEU CD1 C 13 27.0 . . 1 . . . . . . . . 4202 1 1595 . 1 1 144 144 LEU CD2 C 13 21.5 . . 1 . . . . . . . . 4202 1 1596 . 1 1 145 145 ALA N N 15 115.3 . . 1 . . . . . . . . 4202 1 1597 . 1 1 145 145 ALA H H 1 7.40 . . 1 . . . . . . . . 4202 1 1598 . 1 1 145 145 ALA C C 13 174.8 . . 1 . . . . . . . . 4202 1 1599 . 1 1 145 145 ALA CA C 13 51.6 . . 1 . . . . . . . . 4202 1 1600 . 1 1 145 145 ALA HA H 1 4.42 . . 1 . . . . . . . . 4202 1 1601 . 1 1 145 145 ALA CB C 13 21.2 . . 1 . . . . . . . . 4202 1 1602 . 1 1 145 145 ALA HB1 H 1 0.91 . . 1 . . . . . . . . 4202 1 1603 . 1 1 145 145 ALA HB2 H 1 0.91 . . 1 . . . . . . . . 4202 1 1604 . 1 1 145 145 ALA HB3 H 1 0.91 . . 1 . . . . . . . . 4202 1 1605 . 1 1 146 146 CYS N N 15 113.7 . . 1 . . . . . . . . 4202 1 1606 . 1 1 146 146 CYS H H 1 8.89 . . 1 . . . . . . . . 4202 1 1607 . 1 1 146 146 CYS C C 13 173.8 . . 1 . . . . . . . . 4202 1 1608 . 1 1 146 146 CYS CA C 13 53.8 . . 1 . . . . . . . . 4202 1 1609 . 1 1 146 146 CYS HA H 1 6.05 . . 1 . . . . . . . . 4202 1 1610 . 1 1 146 146 CYS CB C 13 46.2 . . 1 . . . . . . . . 4202 1 1611 . 1 1 146 146 CYS HB2 H 1 3.05 . . 1 . . . . . . . . 4202 1 1612 . 1 1 146 146 CYS HB3 H 1 3.06 . . 1 . . . . . . . . 4202 1 1613 . 1 1 147 147 GLY N N 15 107.3 . . 1 . . . . . . . . 4202 1 1614 . 1 1 147 147 GLY H H 1 8.38 . . 1 . . . . . . . . 4202 1 1615 . 1 1 147 147 GLY C C 13 171.7 . . 1 . . . . . . . . 4202 1 1616 . 1 1 147 147 GLY CA C 13 42.4 . . 1 . . . . . . . . 4202 1 1617 . 1 1 147 147 GLY HA2 H 1 3.81 . . 1 . . . . . . . . 4202 1 1618 . 1 1 147 147 GLY HA3 H 1 4.55 . . 1 . . . . . . . . 4202 1 1619 . 1 1 148 148 VAL N N 15 126.9 . . 1 . . . . . . . . 4202 1 1620 . 1 1 148 148 VAL H H 1 8.85 . . 1 . . . . . . . . 4202 1 1621 . 1 1 148 148 VAL C C 13 176.4 . . 1 . . . . . . . . 4202 1 1622 . 1 1 148 148 VAL CA C 13 63.0 . . 1 . . . . . . . . 4202 1 1623 . 1 1 148 148 VAL HA H 1 4.27 . . 1 . . . . . . . . 4202 1 1624 . 1 1 148 148 VAL CB C 13 32.0 . . 1 . . . . . . . . 4202 1 1625 . 1 1 148 148 VAL HB H 1 2.05 . . 1 . . . . . . . . 4202 1 1626 . 1 1 148 148 VAL HG11 H 1 0.92 . . 1 . . . . . . . . 4202 1 1627 . 1 1 148 148 VAL HG12 H 1 0.92 . . 1 . . . . . . . . 4202 1 1628 . 1 1 148 148 VAL HG13 H 1 0.92 . . 1 . . . . . . . . 4202 1 1629 . 1 1 148 148 VAL HG21 H 1 0.78 . . 1 . . . . . . . . 4202 1 1630 . 1 1 148 148 VAL HG22 H 1 0.78 . . 1 . . . . . . . . 4202 1 1631 . 1 1 148 148 VAL HG23 H 1 0.78 . . 1 . . . . . . . . 4202 1 1632 . 1 1 148 148 VAL CG1 C 13 22.9 . . 1 . . . . . . . . 4202 1 1633 . 1 1 148 148 VAL CG2 C 13 20.9 . . 1 . . . . . . . . 4202 1 1634 . 1 1 149 149 ILE N N 15 130.3 . . 1 . . . . . . . . 4202 1 1635 . 1 1 149 149 ILE H H 1 8.72 . . 1 . . . . . . . . 4202 1 1636 . 1 1 149 149 ILE C C 13 175.5 . . 1 . . . . . . . . 4202 1 1637 . 1 1 149 149 ILE CA C 13 61.8 . . 1 . . . . . . . . 4202 1 1638 . 1 1 149 149 ILE HA H 1 3.96 . . 1 . . . . . . . . 4202 1 1639 . 1 1 149 149 ILE CB C 13 37.3 . . 1 . . . . . . . . 4202 1 1640 . 1 1 149 149 ILE HB H 1 1.83 . . 1 . . . . . . . . 4202 1 1641 . 1 1 149 149 ILE HG12 H 1 0.59 . . 2 . . . . . . . . 4202 1 1642 . 1 1 149 149 ILE HG13 H 1 1.76 . . 2 . . . . . . . . 4202 1 1643 . 1 1 149 149 ILE HG21 H 1 0.09 . . 1 . . . . . . . . 4202 1 1644 . 1 1 149 149 ILE HG22 H 1 0.09 . . 1 . . . . . . . . 4202 1 1645 . 1 1 149 149 ILE HG23 H 1 0.09 . . 1 . . . . . . . . 4202 1 1646 . 1 1 149 149 ILE HD11 H 1 0.47 . . 1 . . . . . . . . 4202 1 1647 . 1 1 149 149 ILE HD12 H 1 0.47 . . 1 . . . . . . . . 4202 1 1648 . 1 1 149 149 ILE HD13 H 1 0.47 . . 1 . . . . . . . . 4202 1 1649 . 1 1 149 149 ILE CG1 C 13 27.9 . . 1 . . . . . . . . 4202 1 1650 . 1 1 149 149 ILE CG2 C 13 18.2 . . 1 . . . . . . . . 4202 1 1651 . 1 1 149 149 ILE CD1 C 13 15.3 . . 1 . . . . . . . . 4202 1 1652 . 1 1 150 150 GLY N N 15 117.9 . . 1 . . . . . . . . 4202 1 1653 . 1 1 150 150 GLY H H 1 8.85 . . 1 . . . . . . . . 4202 1 1654 . 1 1 150 150 GLY C C 13 172.7 . . 1 . . . . . . . . 4202 1 1655 . 1 1 150 150 GLY CA C 13 43.4 . . 1 . . . . . . . . 4202 1 1656 . 1 1 150 150 GLY HA2 H 1 3.84 . . 1 . . . . . . . . 4202 1 1657 . 1 1 150 150 GLY HA3 H 1 4.82 . . 1 . . . . . . . . 4202 1 1658 . 1 1 151 151 ILE N N 15 121.9 . . 1 . . . . . . . . 4202 1 1659 . 1 1 151 151 ILE H H 1 8.59 . . 1 . . . . . . . . 4202 1 1660 . 1 1 151 151 ILE C C 13 175.5 . . 1 . . . . . . . . 4202 1 1661 . 1 1 151 151 ILE CA C 13 61.5 . . 1 . . . . . . . . 4202 1 1662 . 1 1 151 151 ILE HA H 1 4.18 . . 1 . . . . . . . . 4202 1 1663 . 1 1 151 151 ILE CB C 13 38.1 . . 1 . . . . . . . . 4202 1 1664 . 1 1 151 151 ILE HB H 1 1.86 . . 1 . . . . . . . . 4202 1 1665 . 1 1 151 151 ILE HG12 H 1 1.35 . . 2 . . . . . . . . 4202 1 1666 . 1 1 151 151 ILE HG13 H 1 1.70 . . 2 . . . . . . . . 4202 1 1667 . 1 1 151 151 ILE HG21 H 1 1.01 . . 1 . . . . . . . . 4202 1 1668 . 1 1 151 151 ILE HG22 H 1 1.01 . . 1 . . . . . . . . 4202 1 1669 . 1 1 151 151 ILE HG23 H 1 1.01 . . 1 . . . . . . . . 4202 1 1670 . 1 1 151 151 ILE HD11 H 1 1.03 . . 1 . . . . . . . . 4202 1 1671 . 1 1 151 151 ILE HD12 H 1 1.03 . . 1 . . . . . . . . 4202 1 1672 . 1 1 151 151 ILE HD13 H 1 1.03 . . 1 . . . . . . . . 4202 1 1673 . 1 1 151 151 ILE CG1 C 13 28.0 . . 1 . . . . . . . . 4202 1 1674 . 1 1 151 151 ILE CG2 C 13 17.5 . . 1 . . . . . . . . 4202 1 1675 . 1 1 151 151 ILE CD1 C 13 12.1 . . 1 . . . . . . . . 4202 1 1676 . 1 1 152 152 ALA N N 15 131.8 . . 1 . . . . . . . . 4202 1 1677 . 1 1 152 152 ALA H H 1 8.37 . . 1 . . . . . . . . 4202 1 1678 . 1 1 152 152 ALA C C 13 175.4 . . 1 . . . . . . . . 4202 1 1679 . 1 1 152 152 ALA CA C 13 51.3 . . 1 . . . . . . . . 4202 1 1680 . 1 1 152 152 ALA HA H 1 4.61 . . 1 . . . . . . . . 4202 1 1681 . 1 1 152 152 ALA CB C 13 20.5 . . 1 . . . . . . . . 4202 1 1682 . 1 1 152 152 ALA HB1 H 1 1.25 . . 1 . . . . . . . . 4202 1 1683 . 1 1 152 152 ALA HB2 H 1 1.25 . . 1 . . . . . . . . 4202 1 1684 . 1 1 152 152 ALA HB3 H 1 1.25 . . 1 . . . . . . . . 4202 1 1685 . 1 1 153 153 GLN N N 15 125.4 . . 1 . . . . . . . . 4202 1 1686 . 1 1 153 153 GLN H H 1 8.06 . . 1 . . . . . . . . 4202 1 1687 . 1 1 153 153 GLN C C 13 180.8 . . 1 . . . . . . . . 4202 1 1688 . 1 1 153 153 GLN CA C 13 57.3 . . 1 . . . . . . . . 4202 1 1689 . 1 1 153 153 GLN HA H 1 4.23 . . 1 . . . . . . . . 4202 1 1690 . 1 1 153 153 GLN CB C 13 30.7 . . 1 . . . . . . . . 4202 1 1691 . 1 1 153 153 GLN HB2 H 1 2.14 . . 1 . . . . . . . . 4202 1 1692 . 1 1 153 153 GLN HB3 H 1 1.96 . . 1 . . . . . . . . 4202 1 1693 . 1 1 153 153 GLN HG2 H 1 2.36 . . 1 . . . . . . . . 4202 1 1694 . 1 1 153 153 GLN HG3 H 1 2.36 . . 1 . . . . . . . . 4202 1 1695 . 1 1 153 153 GLN CG C 13 34.4 . . 1 . . . . . . . . 4202 1 stop_ save_