data_5872 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5872 _Entry.Title ; 1H, 13C, and 15N resonance assignments of human RGSZ1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-07-17 _Entry.Accession_date 2003-07-18 _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 'Guang Yi' Xu . . . 5872 2 Wah-Tung Hum . . . 5872 3 Steven Sukits . F . 5872 4 Chu-Lai Hsiao . . . 5872 5 Yan Liu . . . 5872 6 Karl Malakian . . . 5872 7 Karen Monteiro . . . 5872 8 Scott Wolfrom . . . 5872 9 Yuren Wang . . . 5872 10 Kathleen Young . H . 5872 11 Franklin Moy . J . 5872 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5872 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 554 5872 '13C chemical shifts' 562 5872 '15N chemical shifts' 146 5872 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2004-02-13 . update BMRB 'addition of citation information' 5872 2 . . 2003-09-18 . update author 'addition of chemical shift information' 5872 3 . . 2003-09-16 . original author 'original release' 5872 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5872 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Letter to the Editor: 1H, 13C, and 15N resonance assignments of human RGSZ1' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 28 _Citation.Journal_issue 4 _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 409 _Citation.Page_last 410 _Citation.Year 2004 _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 Guang-Yi Xu . . . 5872 1 2 Wah-Tung Hum . . . 5872 1 3 Steven Sukits . F . 5872 1 4 Chu-Lai Hsiao . . . 5872 1 5 Yan Liu . . . 5872 1 6 Karl Malakian . . . 5872 1 7 Karen Monteiro . . . 5872 1 8 Scott Wolfrom . . . 5872 1 9 Yuren Wang . . . 5872 1 10 Kathleen Young . H . 5872 1 11 Franklin Moy . J . 5872 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_RGSZ1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_RGSZ1 _Assembly.Entry_ID 5872 _Assembly.ID 1 _Assembly.Name 'regulator of G protein signaling Z1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5872 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 'RGSZ1 monomer' 1 $RGSZ1_monomer . . . native . . . . . 5872 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'regulator of G protein signaling Z1' system 5872 1 RGSZ1 abbreviation 5872 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RGSZ1_monomer _Entity.Sf_category entity _Entity.Sf_framecode RGSZ1_monomer _Entity.Entry_ID 5872 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'regulator of G protein signaling Z1' _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 ; MGEESPAPTLEEVNAWAQSF DKLMVTPAGRNAFREFLRTE FSEENMLFWMACEELKKEAN KNIIEEKARIIYEDYISILS PKEVSLDSRVREVINRNMVE PSQHIFDDAQLQIYTLMHRD SYPRFMNSAVYKDLLQSLSE KSIEAHHHHHH ; _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 151 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAE73088 . "hypothetical protein [Macaca fascicularis]" . . . . . 94.70 212 100.00 100.00 1.15e-98 . . . . 5872 1 2 no DBJ BAG52876 . "unnamed protein product [Homo sapiens]" . . . . . 80.79 122 100.00 100.00 9.08e-83 . . . . 5872 1 3 no GB AAC62009 . "Gz-selective GTPase-activating protein [Homo sapiens]" . . . . . 94.70 241 100.00 100.00 6.54e-99 . . . . 5872 1 4 no GB AAC62013 . "regulator of G protein signaling [Homo sapiens]" . . . . . 94.70 217 100.00 100.00 1.44e-98 . . . . 5872 1 5 no GB AAH15614 . "RGS20 protein, partial [Homo sapiens]" . . . . . 94.70 234 100.00 100.00 9.64e-99 . . . . 5872 1 6 no GB AAH63490 . "Regulator of G-protein signaling 20 [Homo sapiens]" . . . . . 94.70 241 100.00 100.00 6.54e-99 . . . . 5872 1 7 no GB AAK54122 . "RGS20 ret splice variant 1 [Homo sapiens]" . . . . . 94.70 273 100.00 100.00 1.64e-97 . . . . 5872 1 8 no REF NP_001273602 . "regulator of G-protein signaling 20 isoform c [Homo sapiens]" . . . . . 94.70 273 100.00 100.00 1.64e-97 . . . . 5872 1 9 no REF NP_001273603 . "regulator of G-protein signaling 20 isoform d [Homo sapiens]" . . . . . 93.38 152 100.00 100.00 3.05e-98 . . . . 5872 1 10 no REF NP_001273604 . "regulator of G-protein signaling 20 isoform e [Homo sapiens]" . . . . . 94.70 180 100.00 100.00 8.45e-99 . . . . 5872 1 11 no REF NP_003693 . "regulator of G-protein signaling 20 isoform b [Homo sapiens]" . . . . . 94.70 241 100.00 100.00 6.54e-99 . . . . 5872 1 12 no REF NP_733466 . "regulator of G-protein signaling 20 isoform a [Homo sapiens]" . . . . . 94.70 388 100.00 100.00 1.58e-96 . . . . 5872 1 13 no SP O76081 . "RecName: Full=Regulator of G-protein signaling 20; Short=RGS20; AltName: Full=Gz-selective GTPase-activating protein; Short=G(z" . . . . . 94.70 388 100.00 100.00 1.58e-96 . . . . 5872 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'regulator of G protein signaling Z1' common 5872 1 RGSZ1 abbreviation 5872 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 -2 MET . 5872 1 2 -1 GLY . 5872 1 3 1 GLU . 5872 1 4 2 GLU . 5872 1 5 3 SER . 5872 1 6 4 PRO . 5872 1 7 5 ALA . 5872 1 8 6 PRO . 5872 1 9 7 THR . 5872 1 10 8 LEU . 5872 1 11 9 GLU . 5872 1 12 10 GLU . 5872 1 13 11 VAL . 5872 1 14 12 ASN . 5872 1 15 13 ALA . 5872 1 16 14 TRP . 5872 1 17 15 ALA . 5872 1 18 16 GLN . 5872 1 19 17 SER . 5872 1 20 18 PHE . 5872 1 21 19 ASP . 5872 1 22 20 LYS . 5872 1 23 21 LEU . 5872 1 24 22 MET . 5872 1 25 23 VAL . 5872 1 26 24 THR . 5872 1 27 25 PRO . 5872 1 28 26 ALA . 5872 1 29 27 GLY . 5872 1 30 28 ARG . 5872 1 31 29 ASN . 5872 1 32 30 ALA . 5872 1 33 31 PHE . 5872 1 34 32 ARG . 5872 1 35 33 GLU . 5872 1 36 34 PHE . 5872 1 37 35 LEU . 5872 1 38 36 ARG . 5872 1 39 37 THR . 5872 1 40 38 GLU . 5872 1 41 39 PHE . 5872 1 42 40 SER . 5872 1 43 41 GLU . 5872 1 44 42 GLU . 5872 1 45 43 ASN . 5872 1 46 44 MET . 5872 1 47 45 LEU . 5872 1 48 46 PHE . 5872 1 49 47 TRP . 5872 1 50 48 MET . 5872 1 51 49 ALA . 5872 1 52 50 CYS . 5872 1 53 51 GLU . 5872 1 54 52 GLU . 5872 1 55 53 LEU . 5872 1 56 54 LYS . 5872 1 57 55 LYS . 5872 1 58 56 GLU . 5872 1 59 57 ALA . 5872 1 60 58 ASN . 5872 1 61 59 LYS . 5872 1 62 60 ASN . 5872 1 63 61 ILE . 5872 1 64 62 ILE . 5872 1 65 63 GLU . 5872 1 66 64 GLU . 5872 1 67 65 LYS . 5872 1 68 66 ALA . 5872 1 69 67 ARG . 5872 1 70 68 ILE . 5872 1 71 69 ILE . 5872 1 72 70 TYR . 5872 1 73 71 GLU . 5872 1 74 72 ASP . 5872 1 75 73 TYR . 5872 1 76 74 ILE . 5872 1 77 75 SER . 5872 1 78 76 ILE . 5872 1 79 77 LEU . 5872 1 80 78 SER . 5872 1 81 79 PRO . 5872 1 82 80 LYS . 5872 1 83 81 GLU . 5872 1 84 82 VAL . 5872 1 85 83 SER . 5872 1 86 84 LEU . 5872 1 87 85 ASP . 5872 1 88 86 SER . 5872 1 89 87 ARG . 5872 1 90 88 VAL . 5872 1 91 89 ARG . 5872 1 92 90 GLU . 5872 1 93 91 VAL . 5872 1 94 92 ILE . 5872 1 95 93 ASN . 5872 1 96 94 ARG . 5872 1 97 95 ASN . 5872 1 98 96 MET . 5872 1 99 97 VAL . 5872 1 100 98 GLU . 5872 1 101 99 PRO . 5872 1 102 100 SER . 5872 1 103 101 GLN . 5872 1 104 102 HIS . 5872 1 105 103 ILE . 5872 1 106 104 PHE . 5872 1 107 105 ASP . 5872 1 108 106 ASP . 5872 1 109 107 ALA . 5872 1 110 108 GLN . 5872 1 111 109 LEU . 5872 1 112 110 GLN . 5872 1 113 111 ILE . 5872 1 114 112 TYR . 5872 1 115 113 THR . 5872 1 116 114 LEU . 5872 1 117 115 MET . 5872 1 118 116 HIS . 5872 1 119 117 ARG . 5872 1 120 118 ASP . 5872 1 121 119 SER . 5872 1 122 120 TYR . 5872 1 123 121 PRO . 5872 1 124 122 ARG . 5872 1 125 123 PHE . 5872 1 126 124 MET . 5872 1 127 125 ASN . 5872 1 128 126 SER . 5872 1 129 127 ALA . 5872 1 130 128 VAL . 5872 1 131 129 TYR . 5872 1 132 130 LYS . 5872 1 133 131 ASP . 5872 1 134 132 LEU . 5872 1 135 133 LEU . 5872 1 136 134 GLN . 5872 1 137 135 SER . 5872 1 138 136 LEU . 5872 1 139 137 SER . 5872 1 140 138 GLU . 5872 1 141 139 LYS . 5872 1 142 140 SER . 5872 1 143 141 ILE . 5872 1 144 142 GLU . 5872 1 145 143 ALA . 5872 1 146 144 HIS . 5872 1 147 145 HIS . 5872 1 148 146 HIS . 5872 1 149 147 HIS . 5872 1 150 148 HIS . 5872 1 151 149 HIS . 5872 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5872 1 . GLY 2 2 5872 1 . GLU 3 3 5872 1 . GLU 4 4 5872 1 . SER 5 5 5872 1 . PRO 6 6 5872 1 . ALA 7 7 5872 1 . PRO 8 8 5872 1 . THR 9 9 5872 1 . LEU 10 10 5872 1 . GLU 11 11 5872 1 . GLU 12 12 5872 1 . VAL 13 13 5872 1 . ASN 14 14 5872 1 . ALA 15 15 5872 1 . TRP 16 16 5872 1 . ALA 17 17 5872 1 . GLN 18 18 5872 1 . SER 19 19 5872 1 . PHE 20 20 5872 1 . ASP 21 21 5872 1 . LYS 22 22 5872 1 . LEU 23 23 5872 1 . MET 24 24 5872 1 . VAL 25 25 5872 1 . THR 26 26 5872 1 . PRO 27 27 5872 1 . ALA 28 28 5872 1 . GLY 29 29 5872 1 . ARG 30 30 5872 1 . ASN 31 31 5872 1 . ALA 32 32 5872 1 . PHE 33 33 5872 1 . ARG 34 34 5872 1 . GLU 35 35 5872 1 . PHE 36 36 5872 1 . LEU 37 37 5872 1 . ARG 38 38 5872 1 . THR 39 39 5872 1 . GLU 40 40 5872 1 . PHE 41 41 5872 1 . SER 42 42 5872 1 . GLU 43 43 5872 1 . GLU 44 44 5872 1 . ASN 45 45 5872 1 . MET 46 46 5872 1 . LEU 47 47 5872 1 . PHE 48 48 5872 1 . TRP 49 49 5872 1 . MET 50 50 5872 1 . ALA 51 51 5872 1 . CYS 52 52 5872 1 . GLU 53 53 5872 1 . GLU 54 54 5872 1 . LEU 55 55 5872 1 . LYS 56 56 5872 1 . LYS 57 57 5872 1 . GLU 58 58 5872 1 . ALA 59 59 5872 1 . ASN 60 60 5872 1 . LYS 61 61 5872 1 . ASN 62 62 5872 1 . ILE 63 63 5872 1 . ILE 64 64 5872 1 . GLU 65 65 5872 1 . GLU 66 66 5872 1 . LYS 67 67 5872 1 . ALA 68 68 5872 1 . ARG 69 69 5872 1 . ILE 70 70 5872 1 . ILE 71 71 5872 1 . TYR 72 72 5872 1 . GLU 73 73 5872 1 . ASP 74 74 5872 1 . TYR 75 75 5872 1 . ILE 76 76 5872 1 . SER 77 77 5872 1 . ILE 78 78 5872 1 . LEU 79 79 5872 1 . SER 80 80 5872 1 . PRO 81 81 5872 1 . LYS 82 82 5872 1 . GLU 83 83 5872 1 . VAL 84 84 5872 1 . SER 85 85 5872 1 . LEU 86 86 5872 1 . ASP 87 87 5872 1 . SER 88 88 5872 1 . ARG 89 89 5872 1 . VAL 90 90 5872 1 . ARG 91 91 5872 1 . GLU 92 92 5872 1 . VAL 93 93 5872 1 . ILE 94 94 5872 1 . ASN 95 95 5872 1 . ARG 96 96 5872 1 . ASN 97 97 5872 1 . MET 98 98 5872 1 . VAL 99 99 5872 1 . GLU 100 100 5872 1 . PRO 101 101 5872 1 . SER 102 102 5872 1 . GLN 103 103 5872 1 . HIS 104 104 5872 1 . ILE 105 105 5872 1 . PHE 106 106 5872 1 . ASP 107 107 5872 1 . ASP 108 108 5872 1 . ALA 109 109 5872 1 . GLN 110 110 5872 1 . LEU 111 111 5872 1 . GLN 112 112 5872 1 . ILE 113 113 5872 1 . TYR 114 114 5872 1 . THR 115 115 5872 1 . LEU 116 116 5872 1 . MET 117 117 5872 1 . HIS 118 118 5872 1 . ARG 119 119 5872 1 . ASP 120 120 5872 1 . SER 121 121 5872 1 . TYR 122 122 5872 1 . PRO 123 123 5872 1 . ARG 124 124 5872 1 . PHE 125 125 5872 1 . MET 126 126 5872 1 . ASN 127 127 5872 1 . SER 128 128 5872 1 . ALA 129 129 5872 1 . VAL 130 130 5872 1 . TYR 131 131 5872 1 . LYS 132 132 5872 1 . ASP 133 133 5872 1 . LEU 134 134 5872 1 . LEU 135 135 5872 1 . GLN 136 136 5872 1 . SER 137 137 5872 1 . LEU 138 138 5872 1 . SER 139 139 5872 1 . GLU 140 140 5872 1 . LYS 141 141 5872 1 . SER 142 142 5872 1 . ILE 143 143 5872 1 . GLU 144 144 5872 1 . ALA 145 145 5872 1 . HIS 146 146 5872 1 . HIS 147 147 5872 1 . HIS 148 148 5872 1 . HIS 149 149 5872 1 . HIS 150 150 5872 1 . HIS 151 151 5872 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5872 _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 $RGSZ1_monomer . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . brain . . . . . . . . . . . . . . . . . 5872 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 5872 _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 $RGSZ1_monomer . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . plasmid . . . . . . . . . 5872 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5872 _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 'regulator of G protein signaling Z1' '[U-13C; U-15N]' . . 1 $RGSZ1_monomer . . 0.4 . . mM . . . . 5872 1 2 'sodium phosphate' . . . . . . . 100 . . mM . . . . 5872 1 3 NaN3 . . . . . . . 3 . . mM . . . . 5872 1 4 H2O . . . . . . . 90 . . % . . . . 5872 1 5 D2O . . . . . . . 10 . . % . . . . 5872 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5872 _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* 6.8 . n/a 5872 1 temperature 298 . K 5872 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5872 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Equipped with a z-shielded gradient triple-resonance 1H/13C/15N cryoprobe.' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 5872 _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 Bruker DRX . 600 'Equipped with a z-shielded gradient triple-resonance 1H/13C/15N cryoprobe.' . . 5872 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 5872 _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 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5872 1 2 CBCANH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5872 1 3 CC(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5872 1 4 HBHA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5872 1 5 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5872 1 6 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5872 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5872 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5872 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name CBCANH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5872 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CC(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5872 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HBHA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5872 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5872 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5872 _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 H 1 TSP 'methyl protons' . . . . ppm 0.00 external . 1.0 . . . . . . . . . 5872 1 N 15 TSP 'methyl protons' . . . . ppm 0.00 external . 0.101329118 . . . . . . . . . 5872 1 C 13 TSP 'methyl protons' . . . . ppm 0.00 external . 0.251449530 . . . . . . . . . 5872 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5872 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5872 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 GLU H H 1 8.82 0.02 . 1 . . . . . . . . 5872 1 2 . 1 1 3 3 GLU N N 15 121.24 0.25 . 1 . . . . . . . . 5872 1 3 . 1 1 3 3 GLU C C 13 176.87 0.2 . 1 . . . . . . . . 5872 1 4 . 1 1 3 3 GLU CA C 13 56.60 0.2 . 1 . . . . . . . . 5872 1 5 . 1 1 3 3 GLU CB C 13 31.06 0.2 . 1 . . . . . . . . 5872 1 6 . 1 1 3 3 GLU CG C 13 36.74 0.2 . 1 . . . . . . . . 5872 1 7 . 1 1 3 3 GLU HA H 1 4.23 0.02 . 1 . . . . . . . . 5872 1 8 . 1 1 3 3 GLU HB2 H 1 1.98 0.02 . 2 . . . . . . . . 5872 1 9 . 1 1 3 3 GLU HB3 H 1 1.86 0.02 . 2 . . . . . . . . 5872 1 10 . 1 1 4 4 GLU H H 1 8.68 0.02 . 1 . . . . . . . . 5872 1 11 . 1 1 4 4 GLU N N 15 122.88 0.25 . 1 . . . . . . . . 5872 1 12 . 1 1 4 4 GLU C C 13 176.25 0.2 . 1 . . . . . . . . 5872 1 13 . 1 1 4 4 GLU CA C 13 56.69 0.2 . 1 . . . . . . . . 5872 1 14 . 1 1 4 4 GLU CB C 13 29.94 0.2 . 1 . . . . . . . . 5872 1 15 . 1 1 4 4 GLU CG C 13 35.95 0.2 . 1 . . . . . . . . 5872 1 16 . 1 1 4 4 GLU HA H 1 4.22 0.02 . 1 . . . . . . . . 5872 1 17 . 1 1 4 4 GLU HB2 H 1 1.96 0.02 . 2 . . . . . . . . 5872 1 18 . 1 1 4 4 GLU HB3 H 1 1.88 0.02 . 2 . . . . . . . . 5872 1 19 . 1 1 5 5 SER H H 1 8.36 0.02 . 1 . . . . . . . . 5872 1 20 . 1 1 5 5 SER N N 15 117.98 0.25 . 1 . . . . . . . . 5872 1 21 . 1 1 5 5 SER CA C 13 56.06 0.2 . 1 . . . . . . . . 5872 1 22 . 1 1 5 5 SER CB C 13 63.60 0.2 . 1 . . . . . . . . 5872 1 23 . 1 1 6 6 PRO C C 13 176.35 0.2 . 1 . . . . . . . . 5872 1 24 . 1 1 6 6 PRO CA C 13 62.61 0.2 . 1 . . . . . . . . 5872 1 25 . 1 1 6 6 PRO CB C 13 32.00 0.2 . 1 . . . . . . . . 5872 1 26 . 1 1 6 6 PRO CG C 13 27.17 0.2 . 1 . . . . . . . . 5872 1 27 . 1 1 6 6 PRO CD C 13 50.73 0.2 . 1 . . . . . . . . 5872 1 28 . 1 1 6 6 PRO HA H 1 4.47 0.02 . 1 . . . . . . . . 5872 1 29 . 1 1 6 6 PRO HB2 H 1 2.26 0.02 . 2 . . . . . . . . 5872 1 30 . 1 1 6 6 PRO HB3 H 1 1.89 0.02 . 2 . . . . . . . . 5872 1 31 . 1 1 7 7 ALA H H 1 8.46 0.02 . 1 . . . . . . . . 5872 1 32 . 1 1 7 7 ALA N N 15 126.07 0.25 . 1 . . . . . . . . 5872 1 33 . 1 1 7 7 ALA CA C 13 50.34 0.2 . 1 . . . . . . . . 5872 1 34 . 1 1 7 7 ALA CB C 13 17.69 0.2 . 1 . . . . . . . . 5872 1 35 . 1 1 7 7 ALA HA H 1 4.55 0.02 . 1 . . . . . . . . 5872 1 36 . 1 1 8 8 PRO C C 13 175.79 0.2 . 1 . . . . . . . . 5872 1 37 . 1 1 8 8 PRO CA C 13 62.11 0.2 . 1 . . . . . . . . 5872 1 38 . 1 1 8 8 PRO CB C 13 32.16 0.2 . 1 . . . . . . . . 5872 1 39 . 1 1 8 8 PRO CG C 13 27.09 0.2 . 1 . . . . . . . . 5872 1 40 . 1 1 8 8 PRO CD C 13 49.93 0.2 . 1 . . . . . . . . 5872 1 41 . 1 1 8 8 PRO HA H 1 4.66 0.02 . 1 . . . . . . . . 5872 1 42 . 1 1 8 8 PRO HB2 H 1 2.08 0.02 . 2 . . . . . . . . 5872 1 43 . 1 1 8 8 PRO HB3 H 1 1.72 0.02 . 2 . . . . . . . . 5872 1 44 . 1 1 9 9 THR H H 1 7.97 0.02 . 1 . . . . . . . . 5872 1 45 . 1 1 9 9 THR N N 15 109.56 0.25 . 1 . . . . . . . . 5872 1 46 . 1 1 9 9 THR C C 13 175.24 0.2 . 1 . . . . . . . . 5872 1 47 . 1 1 9 9 THR CA C 13 59.50 0.2 . 1 . . . . . . . . 5872 1 48 . 1 1 9 9 THR CB C 13 71.55 0.2 . 1 . . . . . . . . 5872 1 49 . 1 1 9 9 THR CG2 C 13 21.52 0.2 . 1 . . . . . . . . 5872 1 50 . 1 1 9 9 THR HA H 1 4.40 0.02 . 1 . . . . . . . . 5872 1 51 . 1 1 9 9 THR HB H 1 4.56 0.02 . 1 . . . . . . . . 5872 1 52 . 1 1 10 10 LEU H H 1 8.89 0.02 . 1 . . . . . . . . 5872 1 53 . 1 1 10 10 LEU N N 15 122.08 0.25 . 1 . . . . . . . . 5872 1 54 . 1 1 10 10 LEU C C 13 177.74 0.2 . 1 . . . . . . . . 5872 1 55 . 1 1 10 10 LEU CA C 13 57.83 0.2 . 1 . . . . . . . . 5872 1 56 . 1 1 10 10 LEU CB C 13 41.38 0.2 . 1 . . . . . . . . 5872 1 57 . 1 1 10 10 LEU CG C 13 26.79 0.2 . 1 . . . . . . . . 5872 1 58 . 1 1 10 10 LEU CD1 C 13 23.21 0.2 . 2 . . . . . . . . 5872 1 59 . 1 1 10 10 LEU CD2 C 13 25.58 0.2 . 2 . . . . . . . . 5872 1 60 . 1 1 10 10 LEU HA H 1 3.67 0.02 . 1 . . . . . . . . 5872 1 61 . 1 1 10 10 LEU HB2 H 1 1.62 0.02 . 2 . . . . . . . . 5872 1 62 . 1 1 10 10 LEU HB3 H 1 1.33 0.02 . 2 . . . . . . . . 5872 1 63 . 1 1 11 11 GLU H H 1 8.50 0.02 . 1 . . . . . . . . 5872 1 64 . 1 1 11 11 GLU N N 15 116.76 0.25 . 1 . . . . . . . . 5872 1 65 . 1 1 11 11 GLU C C 13 179.59 0.2 . 1 . . . . . . . . 5872 1 66 . 1 1 11 11 GLU CA C 13 59.82 0.2 . 1 . . . . . . . . 5872 1 67 . 1 1 11 11 GLU CB C 13 28.99 0.2 . 1 . . . . . . . . 5872 1 68 . 1 1 11 11 GLU CG C 13 36.64 0.2 . 1 . . . . . . . . 5872 1 69 . 1 1 11 11 GLU HA H 1 3.83 0.02 . 1 . . . . . . . . 5872 1 70 . 1 1 11 11 GLU HB2 H 1 1.92 0.02 . 2 . . . . . . . . 5872 1 71 . 1 1 11 11 GLU HB3 H 1 1.80 0.02 . 2 . . . . . . . . 5872 1 72 . 1 1 12 12 GLU H H 1 7.44 0.02 . 1 . . . . . . . . 5872 1 73 . 1 1 12 12 GLU N N 15 120.84 0.25 . 1 . . . . . . . . 5872 1 74 . 1 1 12 12 GLU C C 13 176.60 0.2 . 1 . . . . . . . . 5872 1 75 . 1 1 12 12 GLU CA C 13 59.04 0.2 . 1 . . . . . . . . 5872 1 76 . 1 1 12 12 GLU CB C 13 29.53 0.2 . 1 . . . . . . . . 5872 1 77 . 1 1 12 12 GLU CG C 13 36.88 0.2 . 1 . . . . . . . . 5872 1 78 . 1 1 12 12 GLU HA H 1 3.80 0.02 . 1 . . . . . . . . 5872 1 79 . 1 1 12 12 GLU HB2 H 1 2.08 0.02 . 2 . . . . . . . . 5872 1 80 . 1 1 12 12 GLU HB3 H 1 1.81 0.02 . 2 . . . . . . . . 5872 1 81 . 1 1 13 13 VAL H H 1 7.59 0.02 . 1 . . . . . . . . 5872 1 82 . 1 1 13 13 VAL N N 15 116.98 0.25 . 1 . . . . . . . . 5872 1 83 . 1 1 13 13 VAL C C 13 180.71 0.2 . 1 . . . . . . . . 5872 1 84 . 1 1 13 13 VAL CA C 13 64.90 0.2 . 1 . . . . . . . . 5872 1 85 . 1 1 13 13 VAL CB C 13 31.09 0.2 . 1 . . . . . . . . 5872 1 86 . 1 1 13 13 VAL CG1 C 13 23.07 0.2 . 2 . . . . . . . . 5872 1 87 . 1 1 13 13 VAL CG2 C 13 21.79 0.2 . 2 . . . . . . . . 5872 1 88 . 1 1 13 13 VAL HA H 1 4.51 0.02 . 1 . . . . . . . . 5872 1 89 . 1 1 13 13 VAL HB H 1 1.89 0.02 . 1 . . . . . . . . 5872 1 90 . 1 1 14 14 ASN H H 1 8.39 0.02 . 1 . . . . . . . . 5872 1 91 . 1 1 14 14 ASN N N 15 120.31 0.25 . 1 . . . . . . . . 5872 1 92 . 1 1 14 14 ASN C C 13 177.91 0.2 . 1 . . . . . . . . 5872 1 93 . 1 1 14 14 ASN CA C 13 56.13 0.2 . 1 . . . . . . . . 5872 1 94 . 1 1 14 14 ASN CB C 13 38.39 0.2 . 1 . . . . . . . . 5872 1 95 . 1 1 14 14 ASN ND2 N 15 110.3 0.25 . 1 . . . . . . . . 5872 1 96 . 1 1 14 14 ASN HD21 H 1 7.25 0.02 . 1 . . . . . . . . 5872 1 97 . 1 1 14 14 ASN HD22 H 1 6.55 0.02 . 1 . . . . . . . . 5872 1 98 . 1 1 14 14 ASN HA H 1 4.33 0.02 . 1 . . . . . . . . 5872 1 99 . 1 1 14 14 ASN HB2 H 1 2.62 0.02 . 2 . . . . . . . . 5872 1 100 . 1 1 14 14 ASN HB3 H 1 2.54 0.02 . 2 . . . . . . . . 5872 1 101 . 1 1 15 15 ALA H H 1 7.59 0.02 . 1 . . . . . . . . 5872 1 102 . 1 1 15 15 ALA N N 15 123.93 0.25 . 1 . . . . . . . . 5872 1 103 . 1 1 15 15 ALA C C 13 180.14 0.2 . 1 . . . . . . . . 5872 1 104 . 1 1 15 15 ALA CA C 13 54.81 0.2 . 1 . . . . . . . . 5872 1 105 . 1 1 15 15 ALA CB C 13 17.67 0.2 . 1 . . . . . . . . 5872 1 106 . 1 1 15 15 ALA HA H 1 4.13 0.02 . 1 . . . . . . . . 5872 1 107 . 1 1 15 15 ALA HB1 H 1 1.51 0.02 . 1 . . . . . . . . 5872 1 108 . 1 1 15 15 ALA HB2 H 1 1.51 0.02 . 1 . . . . . . . . 5872 1 109 . 1 1 15 15 ALA HB3 H 1 1.51 0.02 . 1 . . . . . . . . 5872 1 110 . 1 1 16 16 TRP H H 1 7.98 0.02 . 1 . . . . . . . . 5872 1 111 . 1 1 16 16 TRP N N 15 118.10 0.25 . 1 . . . . . . . . 5872 1 112 . 1 1 16 16 TRP C C 13 177.09 0.2 . 1 . . . . . . . . 5872 1 113 . 1 1 16 16 TRP CA C 13 57.09 0.2 . 1 . . . . . . . . 5872 1 114 . 1 1 16 16 TRP CB C 13 29.88 0.2 . 1 . . . . . . . . 5872 1 115 . 1 1 16 16 TRP HA H 1 4.54 0.02 . 1 . . . . . . . . 5872 1 116 . 1 1 16 16 TRP HB2 H 1 3.64 0.02 . 2 . . . . . . . . 5872 1 117 . 1 1 16 16 TRP HB3 H 1 3.27 0.02 . 2 . . . . . . . . 5872 1 118 . 1 1 17 17 ALA H H 1 7.32 0.02 . 1 . . . . . . . . 5872 1 119 . 1 1 17 17 ALA N N 15 116.33 0.25 . 1 . . . . . . . . 5872 1 120 . 1 1 17 17 ALA C C 13 177.76 0.2 . 1 . . . . . . . . 5872 1 121 . 1 1 17 17 ALA CA C 13 52.99 0.2 . 1 . . . . . . . . 5872 1 122 . 1 1 17 17 ALA CB C 13 19.25 0.2 . 1 . . . . . . . . 5872 1 123 . 1 1 17 17 ALA HA H 1 4.50 0.02 . 1 . . . . . . . . 5872 1 124 . 1 1 17 17 ALA HB1 H 1 1.50 0.02 . 1 . . . . . . . . 5872 1 125 . 1 1 17 17 ALA HB2 H 1 1.50 0.02 . 1 . . . . . . . . 5872 1 126 . 1 1 17 17 ALA HB3 H 1 1.50 0.02 . 1 . . . . . . . . 5872 1 127 . 1 1 18 18 GLN H H 1 7.89 0.02 . 1 . . . . . . . . 5872 1 128 . 1 1 18 18 GLN N N 15 116.34 0.25 . 1 . . . . . . . . 5872 1 129 . 1 1 18 18 GLN C C 13 176.99 0.2 . 1 . . . . . . . . 5872 1 130 . 1 1 18 18 GLN CA C 13 56.96 0.2 . 1 . . . . . . . . 5872 1 131 . 1 1 18 18 GLN CB C 13 29.42 0.2 . 1 . . . . . . . . 5872 1 132 . 1 1 18 18 GLN CG C 13 33.79 0.2 . 1 . . . . . . . . 5872 1 133 . 1 1 18 18 GLN NE2 N 15 111.22 0.25 . 1 . . . . . . . . 5872 1 134 . 1 1 18 18 GLN HE21 H 1 7.47 0.02 . 1 . . . . . . . . 5872 1 135 . 1 1 18 18 GLN HE22 H 1 6.83 0.02 . 1 . . . . . . . . 5872 1 136 . 1 1 18 18 GLN HA H 1 4.25 0.02 . 1 . . . . . . . . 5872 1 137 . 1 1 18 18 GLN HB2 H 1 2.18 0.02 . 1 . . . . . . . . 5872 1 138 . 1 1 18 18 GLN HB3 H 1 2.18 0.02 . 1 . . . . . . . . 5872 1 139 . 1 1 19 19 SER H H 1 7.22 0.02 . 1 . . . . . . . . 5872 1 140 . 1 1 19 19 SER N N 15 110.45 0.25 . 1 . . . . . . . . 5872 1 141 . 1 1 19 19 SER C C 13 173.45 0.2 . 1 . . . . . . . . 5872 1 142 . 1 1 19 19 SER CA C 13 57.05 0.2 . 1 . . . . . . . . 5872 1 143 . 1 1 19 19 SER CB C 13 64.06 0.2 . 1 . . . . . . . . 5872 1 144 . 1 1 19 19 SER HA H 1 4.55 0.02 . 1 . . . . . . . . 5872 1 145 . 1 1 19 19 SER HB2 H 1 3.99 0.02 . 2 . . . . . . . . 5872 1 146 . 1 1 19 19 SER HB3 H 1 3.75 0.02 . 2 . . . . . . . . 5872 1 147 . 1 1 20 20 PHE H H 1 8.58 0.02 . 1 . . . . . . . . 5872 1 148 . 1 1 20 20 PHE N N 15 127.22 0.25 . 1 . . . . . . . . 5872 1 149 . 1 1 20 20 PHE C C 13 176.50 0.2 . 1 . . . . . . . . 5872 1 150 . 1 1 20 20 PHE CA C 13 59.08 0.2 . 1 . . . . . . . . 5872 1 151 . 1 1 20 20 PHE CB C 13 39.46 0.2 . 1 . . . . . . . . 5872 1 152 . 1 1 20 20 PHE HA H 1 3.42 0.02 . 1 . . . . . . . . 5872 1 153 . 1 1 20 20 PHE HB2 H 1 1.55 0.02 . 1 . . . . . . . . 5872 1 154 . 1 1 20 20 PHE HB3 H 1 1.55 0.02 . 1 . . . . . . . . 5872 1 155 . 1 1 21 21 ASP H H 1 7.76 0.02 . 1 . . . . . . . . 5872 1 156 . 1 1 21 21 ASP N N 15 114.42 0.25 . 1 . . . . . . . . 5872 1 157 . 1 1 21 21 ASP C C 13 178.27 0.2 . 1 . . . . . . . . 5872 1 158 . 1 1 21 21 ASP CA C 13 56.36 0.2 . 1 . . . . . . . . 5872 1 159 . 1 1 21 21 ASP CB C 13 39.84 0.2 . 1 . . . . . . . . 5872 1 160 . 1 1 21 21 ASP HA H 1 3.78 0.02 . 1 . . . . . . . . 5872 1 161 . 1 1 21 21 ASP HB2 H 1 2.44 0.02 . 2 . . . . . . . . 5872 1 162 . 1 1 21 21 ASP HB3 H 1 2.29 0.02 . 2 . . . . . . . . 5872 1 163 . 1 1 22 22 LYS H H 1 7.33 0.02 . 1 . . . . . . . . 5872 1 164 . 1 1 22 22 LYS N N 15 117.13 0.25 . 1 . . . . . . . . 5872 1 165 . 1 1 22 22 LYS C C 13 178.53 0.2 . 1 . . . . . . . . 5872 1 166 . 1 1 22 22 LYS CA C 13 58.12 0.2 . 1 . . . . . . . . 5872 1 167 . 1 1 22 22 LYS CB C 13 32.10 0.2 . 1 . . . . . . . . 5872 1 168 . 1 1 22 22 LYS CG C 13 28.65 0.2 . 1 . . . . . . . . 5872 1 169 . 1 1 22 22 LYS CD C 13 25.52 0.2 . 1 . . . . . . . . 5872 1 170 . 1 1 22 22 LYS HA H 1 3.92 0.02 . 1 . . . . . . . . 5872 1 171 . 1 1 22 22 LYS HB2 H 1 2.01 0.02 . 2 . . . . . . . . 5872 1 172 . 1 1 22 22 LYS HB3 H 1 1.80 0.02 . 2 . . . . . . . . 5872 1 173 . 1 1 23 23 LEU H H 1 6.99 0.02 . 1 . . . . . . . . 5872 1 174 . 1 1 23 23 LEU N N 15 120.84 0.25 . 1 . . . . . . . . 5872 1 175 . 1 1 23 23 LEU C C 13 176.64 0.2 . 1 . . . . . . . . 5872 1 176 . 1 1 23 23 LEU CA C 13 57.97 0.2 . 1 . . . . . . . . 5872 1 177 . 1 1 23 23 LEU CB C 13 41.61 0.2 . 1 . . . . . . . . 5872 1 178 . 1 1 23 23 LEU CD1 C 13 25.77 0.2 . 2 . . . . . . . . 5872 1 179 . 1 1 23 23 LEU HA H 1 3.37 0.02 . 1 . . . . . . . . 5872 1 180 . 1 1 23 23 LEU HB2 H 1 1.52 0.02 . 2 . . . . . . . . 5872 1 181 . 1 1 23 23 LEU HB3 H 1 1.16 0.02 . 2 . . . . . . . . 5872 1 182 . 1 1 24 24 MET H H 1 6.82 0.02 . 1 . . . . . . . . 5872 1 183 . 1 1 24 24 MET N N 15 110.86 0.25 . 1 . . . . . . . . 5872 1 184 . 1 1 24 24 MET C C 13 178.31 0.2 . 1 . . . . . . . . 5872 1 185 . 1 1 24 24 MET CA C 13 54.78 0.2 . 1 . . . . . . . . 5872 1 186 . 1 1 24 24 MET CB C 13 31.27 0.2 . 1 . . . . . . . . 5872 1 187 . 1 1 24 24 MET CG C 13 31.79 0.2 . 1 . . . . . . . . 5872 1 188 . 1 1 24 24 MET HA H 1 3.71 0.02 . 1 . . . . . . . . 5872 1 189 . 1 1 24 24 MET HB2 H 1 1.38 0.02 . 1 . . . . . . . . 5872 1 190 . 1 1 24 24 MET HB3 H 1 1.38 0.02 . 1 . . . . . . . . 5872 1 191 . 1 1 25 25 VAL H H 1 7.17 0.02 . 1 . . . . . . . . 5872 1 192 . 1 1 25 25 VAL N N 15 115.19 0.25 . 1 . . . . . . . . 5872 1 193 . 1 1 25 25 VAL C C 13 176.17 0.2 . 1 . . . . . . . . 5872 1 194 . 1 1 25 25 VAL CA C 13 63.10 0.2 . 1 . . . . . . . . 5872 1 195 . 1 1 25 25 VAL CB C 13 32.28 0.2 . 1 . . . . . . . . 5872 1 196 . 1 1 25 25 VAL CG1 C 13 20.45 0.2 . 2 . . . . . . . . 5872 1 197 . 1 1 25 25 VAL CG2 C 13 21.33 0.2 . 2 . . . . . . . . 5872 1 198 . 1 1 25 25 VAL HA H 1 4.10 0.02 . 1 . . . . . . . . 5872 1 199 . 1 1 25 25 VAL HB H 1 2.27 0.02 . 1 . . . . . . . . 5872 1 200 . 1 1 26 26 THR H H 1 7.41 0.02 . 1 . . . . . . . . 5872 1 201 . 1 1 26 26 THR N N 15 111.19 0.25 . 1 . . . . . . . . 5872 1 202 . 1 1 26 26 THR CA C 13 57.46 0.2 . 1 . . . . . . . . 5872 1 203 . 1 1 26 26 THR CB C 13 70.02 0.2 . 1 . . . . . . . . 5872 1 204 . 1 1 26 26 THR HA H 1 5.11 0.02 . 1 . . . . . . . . 5872 1 205 . 1 1 27 27 PRO C C 13 178.31 0.2 . 1 . . . . . . . . 5872 1 206 . 1 1 27 27 PRO CA C 13 64.98 0.2 . 1 . . . . . . . . 5872 1 207 . 1 1 27 27 PRO CB C 13 31.74 0.2 . 1 . . . . . . . . 5872 1 208 . 1 1 27 27 PRO CD C 13 47.77 0.2 . 1 . . . . . . . . 5872 1 209 . 1 1 27 27 PRO HA H 1 4.17 0.02 . 1 . . . . . . . . 5872 1 210 . 1 1 27 27 PRO HB2 H 1 1.94 0.02 . 2 . . . . . . . . 5872 1 211 . 1 1 27 27 PRO HB3 H 1 1.88 0.02 . 2 . . . . . . . . 5872 1 212 . 1 1 28 28 ALA H H 1 8.43 0.02 . 1 . . . . . . . . 5872 1 213 . 1 1 28 28 ALA N N 15 117.96 0.25 . 1 . . . . . . . . 5872 1 214 . 1 1 28 28 ALA C C 13 180.76 0.2 . 1 . . . . . . . . 5872 1 215 . 1 1 28 28 ALA CA C 13 55.24 0.2 . 1 . . . . . . . . 5872 1 216 . 1 1 28 28 ALA CB C 13 18.52 0.2 . 1 . . . . . . . . 5872 1 217 . 1 1 28 28 ALA HA H 1 4.16 0.02 . 1 . . . . . . . . 5872 1 218 . 1 1 28 28 ALA HB1 H 1 1.60 0.02 . 1 . . . . . . . . 5872 1 219 . 1 1 28 28 ALA HB2 H 1 1.60 0.02 . 1 . . . . . . . . 5872 1 220 . 1 1 28 28 ALA HB3 H 1 1.60 0.02 . 1 . . . . . . . . 5872 1 221 . 1 1 29 29 GLY H H 1 7.90 0.02 . 1 . . . . . . . . 5872 1 222 . 1 1 29 29 GLY N N 15 109.04 0.25 . 1 . . . . . . . . 5872 1 223 . 1 1 29 29 GLY C C 13 175.27 0.2 . 1 . . . . . . . . 5872 1 224 . 1 1 29 29 GLY CA C 13 46.39 0.2 . 1 . . . . . . . . 5872 1 225 . 1 1 29 29 GLY HA2 H 1 3.37 0.02 . 1 . . . . . . . . 5872 1 226 . 1 1 29 29 GLY HA3 H 1 3.37 0.02 . 1 . . . . . . . . 5872 1 227 . 1 1 30 30 ARG H H 1 7.93 0.02 . 1 . . . . . . . . 5872 1 228 . 1 1 30 30 ARG N N 15 120.53 0.25 . 1 . . . . . . . . 5872 1 229 . 1 1 30 30 ARG C C 13 178.94 0.2 . 1 . . . . . . . . 5872 1 230 . 1 1 30 30 ARG CA C 13 60.65 0.2 . 1 . . . . . . . . 5872 1 231 . 1 1 30 30 ARG CB C 13 31.08 0.2 . 1 . . . . . . . . 5872 1 232 . 1 1 30 30 ARG CG C 13 29.87 0.2 . 1 . . . . . . . . 5872 1 233 . 1 1 30 30 ARG CD C 13 44.23 0.2 . 1 . . . . . . . . 5872 1 234 . 1 1 30 30 ARG HA H 1 3.56 0.02 . 1 . . . . . . . . 5872 1 235 . 1 1 30 30 ARG HB2 H 1 2.04 0.02 . 1 . . . . . . . . 5872 1 236 . 1 1 30 30 ARG HB3 H 1 2.04 0.02 . 1 . . . . . . . . 5872 1 237 . 1 1 31 31 ASN H H 1 8.54 0.02 . 1 . . . . . . . . 5872 1 238 . 1 1 31 31 ASN N N 15 116.26 0.25 . 1 . . . . . . . . 5872 1 239 . 1 1 31 31 ASN C C 13 177.93 0.2 . 1 . . . . . . . . 5872 1 240 . 1 1 31 31 ASN CA C 13 55.93 0.2 . 1 . . . . . . . . 5872 1 241 . 1 1 31 31 ASN CB C 13 38.07 0.2 . 1 . . . . . . . . 5872 1 242 . 1 1 31 31 ASN HA H 1 4.33 0.02 . 1 . . . . . . . . 5872 1 243 . 1 1 31 31 ASN HB2 H 1 2.83 0.02 . 1 . . . . . . . . 5872 1 244 . 1 1 31 31 ASN HB3 H 1 2.83 0.02 . 1 . . . . . . . . 5872 1 245 . 1 1 32 32 ALA H H 1 7.83 0.02 . 1 . . . . . . . . 5872 1 246 . 1 1 32 32 ALA N N 15 123.92 0.25 . 1 . . . . . . . . 5872 1 247 . 1 1 32 32 ALA C C 13 179.25 0.2 . 1 . . . . . . . . 5872 1 248 . 1 1 32 32 ALA CA C 13 55.13 0.2 . 1 . . . . . . . . 5872 1 249 . 1 1 32 32 ALA CB C 13 18.78 0.2 . 1 . . . . . . . . 5872 1 250 . 1 1 32 32 ALA HA H 1 4.27 0.02 . 1 . . . . . . . . 5872 1 251 . 1 1 32 32 ALA HB1 H 1 1.58 0.02 . 1 . . . . . . . . 5872 1 252 . 1 1 32 32 ALA HB2 H 1 1.58 0.02 . 1 . . . . . . . . 5872 1 253 . 1 1 32 32 ALA HB3 H 1 1.58 0.02 . 1 . . . . . . . . 5872 1 254 . 1 1 33 33 PHE H H 1 8.42 0.02 . 1 . . . . . . . . 5872 1 255 . 1 1 33 33 PHE N N 15 118.69 0.25 . 1 . . . . . . . . 5872 1 256 . 1 1 33 33 PHE C C 13 178.05 0.2 . 1 . . . . . . . . 5872 1 257 . 1 1 33 33 PHE CA C 13 59.26 0.2 . 1 . . . . . . . . 5872 1 258 . 1 1 33 33 PHE CB C 13 39.54 0.2 . 1 . . . . . . . . 5872 1 259 . 1 1 33 33 PHE HA H 1 3.79 0.02 . 1 . . . . . . . . 5872 1 260 . 1 1 33 33 PHE HB2 H 1 2.78 0.02 . 1 . . . . . . . . 5872 1 261 . 1 1 33 33 PHE HB3 H 1 2.78 0.02 . 1 . . . . . . . . 5872 1 262 . 1 1 34 34 ARG H H 1 8.75 0.02 . 1 . . . . . . . . 5872 1 263 . 1 1 34 34 ARG N N 15 118.46 0.25 . 1 . . . . . . . . 5872 1 264 . 1 1 34 34 ARG C C 13 177.47 0.2 . 1 . . . . . . . . 5872 1 265 . 1 1 34 34 ARG CA C 13 60.74 0.2 . 1 . . . . . . . . 5872 1 266 . 1 1 34 34 ARG CB C 13 30.61 0.2 . 1 . . . . . . . . 5872 1 267 . 1 1 34 34 ARG CG C 13 28.14 0.2 . 1 . . . . . . . . 5872 1 268 . 1 1 34 34 ARG CD C 13 44.13 0.2 . 1 . . . . . . . . 5872 1 269 . 1 1 34 34 ARG HA H 1 3.52 0.02 . 1 . . . . . . . . 5872 1 270 . 1 1 34 34 ARG HB2 H 1 1.92 0.02 . 1 . . . . . . . . 5872 1 271 . 1 1 34 34 ARG HB3 H 1 1.92 0.02 . 1 . . . . . . . . 5872 1 272 . 1 1 35 35 GLU H H 1 7.93 0.02 . 1 . . . . . . . . 5872 1 273 . 1 1 35 35 GLU N N 15 118.91 0.25 . 1 . . . . . . . . 5872 1 274 . 1 1 35 35 GLU C C 13 179.61 0.2 . 1 . . . . . . . . 5872 1 275 . 1 1 35 35 GLU CA C 13 59.72 0.2 . 1 . . . . . . . . 5872 1 276 . 1 1 35 35 GLU CB C 13 28.85 0.2 . 1 . . . . . . . . 5872 1 277 . 1 1 35 35 GLU CG C 13 36.44 0.2 . 1 . . . . . . . . 5872 1 278 . 1 1 35 35 GLU HA H 1 3.81 0.02 . 1 . . . . . . . . 5872 1 279 . 1 1 35 35 GLU HB2 H 1 2.22 0.02 . 1 . . . . . . . . 5872 1 280 . 1 1 35 35 GLU HB3 H 1 2.22 0.02 . 1 . . . . . . . . 5872 1 281 . 1 1 36 36 PHE H H 1 7.92 0.02 . 1 . . . . . . . . 5872 1 282 . 1 1 36 36 PHE N N 15 119.50 0.25 . 1 . . . . . . . . 5872 1 283 . 1 1 36 36 PHE C C 13 177.96 0.2 . 1 . . . . . . . . 5872 1 284 . 1 1 36 36 PHE CA C 13 60.80 0.2 . 1 . . . . . . . . 5872 1 285 . 1 1 36 36 PHE CB C 13 39.57 0.2 . 1 . . . . . . . . 5872 1 286 . 1 1 36 36 PHE HA H 1 4.40 0.02 . 1 . . . . . . . . 5872 1 287 . 1 1 36 36 PHE HB2 H 1 3.33 0.02 . 1 . . . . . . . . 5872 1 288 . 1 1 36 36 PHE HB3 H 1 3.33 0.02 . 1 . . . . . . . . 5872 1 289 . 1 1 37 37 LEU H H 1 8.88 0.02 . 1 . . . . . . . . 5872 1 290 . 1 1 37 37 LEU N N 15 122.40 0.25 . 1 . . . . . . . . 5872 1 291 . 1 1 37 37 LEU C C 13 180.30 0.2 . 1 . . . . . . . . 5872 1 292 . 1 1 37 37 LEU CA C 13 57.50 0.2 . 1 . . . . . . . . 5872 1 293 . 1 1 37 37 LEU CB C 13 40.06 0.2 . 1 . . . . . . . . 5872 1 294 . 1 1 37 37 LEU HA H 1 4.25 0.02 . 1 . . . . . . . . 5872 1 295 . 1 1 37 37 LEU HB2 H 1 1.55 0.02 . 1 . . . . . . . . 5872 1 296 . 1 1 37 37 LEU HB3 H 1 1.55 0.02 . 1 . . . . . . . . 5872 1 297 . 1 1 38 38 ARG H H 1 8.28 0.02 . 1 . . . . . . . . 5872 1 298 . 1 1 38 38 ARG N N 15 118.74 0.25 . 1 . . . . . . . . 5872 1 299 . 1 1 38 38 ARG C C 13 179.91 0.2 . 1 . . . . . . . . 5872 1 300 . 1 1 38 38 ARG CA C 13 60.29 0.2 . 1 . . . . . . . . 5872 1 301 . 1 1 38 38 ARG CB C 13 30.31 0.2 . 1 . . . . . . . . 5872 1 302 . 1 1 38 38 ARG CG C 13 27.97 0.2 . 1 . . . . . . . . 5872 1 303 . 1 1 38 38 ARG CD C 13 43.46 0.2 . 1 . . . . . . . . 5872 1 304 . 1 1 38 38 ARG HA H 1 3.87 0.02 . 1 . . . . . . . . 5872 1 305 . 1 1 38 38 ARG HB2 H 1 1.81 0.02 . 1 . . . . . . . . 5872 1 306 . 1 1 38 38 ARG HB3 H 1 1.81 0.02 . 1 . . . . . . . . 5872 1 307 . 1 1 39 39 THR H H 1 7.48 0.02 . 1 . . . . . . . . 5872 1 308 . 1 1 39 39 THR N N 15 111.27 0.25 . 1 . . . . . . . . 5872 1 309 . 1 1 39 39 THR C C 13 174.38 0.2 . 1 . . . . . . . . 5872 1 310 . 1 1 39 39 THR CA C 13 64.14 0.2 . 1 . . . . . . . . 5872 1 311 . 1 1 39 39 THR CB C 13 69.18 0.2 . 1 . . . . . . . . 5872 1 312 . 1 1 39 39 THR CG2 C 13 21.83 0.2 . 1 . . . . . . . . 5872 1 313 . 1 1 39 39 THR HA H 1 3.91 0.02 . 1 . . . . . . . . 5872 1 314 . 1 1 39 39 THR HB H 1 4.19 0.02 . 1 . . . . . . . . 5872 1 315 . 1 1 40 40 GLU H H 1 6.71 0.02 . 1 . . . . . . . . 5872 1 316 . 1 1 40 40 GLU N N 15 117.78 0.25 . 1 . . . . . . . . 5872 1 317 . 1 1 40 40 GLU C C 13 175.19 0.2 . 1 . . . . . . . . 5872 1 318 . 1 1 40 40 GLU CA C 13 55.24 0.2 . 1 . . . . . . . . 5872 1 319 . 1 1 40 40 GLU CB C 13 29.72 0.2 . 1 . . . . . . . . 5872 1 320 . 1 1 40 40 GLU CG C 13 36.07 0.2 . 1 . . . . . . . . 5872 1 321 . 1 1 40 40 GLU HA H 1 4.19 0.02 . 1 . . . . . . . . 5872 1 322 . 1 1 40 40 GLU HB2 H 1 1.97 0.02 . 2 . . . . . . . . 5872 1 323 . 1 1 40 40 GLU HB3 H 1 1.49 0.02 . 2 . . . . . . . . 5872 1 324 . 1 1 41 41 PHE H H 1 7.32 0.02 . 1 . . . . . . . . 5872 1 325 . 1 1 41 41 PHE N N 15 116.89 0.25 . 1 . . . . . . . . 5872 1 326 . 1 1 41 41 PHE C C 13 177.75 0.2 . 1 . . . . . . . . 5872 1 327 . 1 1 41 41 PHE CA C 13 58.62 0.2 . 1 . . . . . . . . 5872 1 328 . 1 1 41 41 PHE CB C 13 35.95 0.2 . 1 . . . . . . . . 5872 1 329 . 1 1 41 41 PHE HA H 1 4.32 0.02 . 1 . . . . . . . . 5872 1 330 . 1 1 41 41 PHE HB2 H 1 3.30 0.02 . 2 . . . . . . . . 5872 1 331 . 1 1 41 41 PHE HB3 H 1 3.13 0.02 . 2 . . . . . . . . 5872 1 332 . 1 1 42 42 SER H H 1 7.99 0.02 . 1 . . . . . . . . 5872 1 333 . 1 1 42 42 SER N N 15 111.82 0.25 . 1 . . . . . . . . 5872 1 334 . 1 1 42 42 SER C C 13 175.40 0.2 . 1 . . . . . . . . 5872 1 335 . 1 1 42 42 SER CA C 13 56.96 0.2 . 1 . . . . . . . . 5872 1 336 . 1 1 42 42 SER CB C 13 64.33 0.2 . 1 . . . . . . . . 5872 1 337 . 1 1 42 42 SER HA H 1 4.99 0.02 . 1 . . . . . . . . 5872 1 338 . 1 1 42 42 SER HB2 H 1 3.73 0.02 . 1 . . . . . . . . 5872 1 339 . 1 1 42 42 SER HB3 H 1 3.73 0.02 . 1 . . . . . . . . 5872 1 340 . 1 1 43 43 GLU H H 1 8.52 0.02 . 1 . . . . . . . . 5872 1 341 . 1 1 43 43 GLU N N 15 122.89 0.25 . 1 . . . . . . . . 5872 1 342 . 1 1 43 43 GLU C C 13 177.85 0.2 . 1 . . . . . . . . 5872 1 343 . 1 1 43 43 GLU CA C 13 58.56 0.2 . 1 . . . . . . . . 5872 1 344 . 1 1 43 43 GLU CB C 13 30.69 0.2 . 1 . . . . . . . . 5872 1 345 . 1 1 43 43 GLU CG C 13 36.68 0.2 . 1 . . . . . . . . 5872 1 346 . 1 1 43 43 GLU HA H 1 3.60 0.02 . 1 . . . . . . . . 5872 1 347 . 1 1 43 43 GLU HB2 H 1 1.99 0.02 . 2 . . . . . . . . 5872 1 348 . 1 1 43 43 GLU HB3 H 1 1.61 0.02 . 2 . . . . . . . . 5872 1 349 . 1 1 44 44 GLU H H 1 10.01 0.02 . 1 . . . . . . . . 5872 1 350 . 1 1 44 44 GLU N N 15 119.30 0.25 . 1 . . . . . . . . 5872 1 351 . 1 1 44 44 GLU C C 13 176.90 0.2 . 1 . . . . . . . . 5872 1 352 . 1 1 44 44 GLU CA C 13 60.61 0.2 . 1 . . . . . . . . 5872 1 353 . 1 1 44 44 GLU CB C 13 28.01 0.2 . 1 . . . . . . . . 5872 1 354 . 1 1 44 44 GLU CG C 13 36.19 0.2 . 1 . . . . . . . . 5872 1 355 . 1 1 44 44 GLU HA H 1 3.98 0.02 . 1 . . . . . . . . 5872 1 356 . 1 1 44 44 GLU HB2 H 1 2.10 0.02 . 2 . . . . . . . . 5872 1 357 . 1 1 44 44 GLU HB3 H 1 1.51 0.02 . 2 . . . . . . . . 5872 1 358 . 1 1 45 45 ASN H H 1 7.65 0.02 . 1 . . . . . . . . 5872 1 359 . 1 1 45 45 ASN N N 15 117.30 0.25 . 1 . . . . . . . . 5872 1 360 . 1 1 45 45 ASN C C 13 176.92 0.2 . 1 . . . . . . . . 5872 1 361 . 1 1 45 45 ASN CA C 13 56.54 0.2 . 1 . . . . . . . . 5872 1 362 . 1 1 45 45 ASN CB C 13 38.41 0.2 . 1 . . . . . . . . 5872 1 363 . 1 1 45 45 ASN HA H 1 4.50 0.02 . 1 . . . . . . . . 5872 1 364 . 1 1 45 45 ASN HB2 H 1 2.74 0.02 . 1 . . . . . . . . 5872 1 365 . 1 1 45 45 ASN HB3 H 1 2.74 0.02 . 1 . . . . . . . . 5872 1 366 . 1 1 46 46 MET H H 1 7.03 0.02 . 1 . . . . . . . . 5872 1 367 . 1 1 46 46 MET N N 15 117.66 0.25 . 1 . . . . . . . . 5872 1 368 . 1 1 46 46 MET C C 13 177.93 0.2 . 1 . . . . . . . . 5872 1 369 . 1 1 46 46 MET CA C 13 56.10 0.2 . 1 . . . . . . . . 5872 1 370 . 1 1 46 46 MET CB C 13 32.23 0.2 . 1 . . . . . . . . 5872 1 371 . 1 1 46 46 MET CG C 13 33.77 0.2 . 1 . . . . . . . . 5872 1 372 . 1 1 46 46 MET HA H 1 4.51 0.02 . 1 . . . . . . . . 5872 1 373 . 1 1 46 46 MET HB2 H 1 1.94 0.02 . 2 . . . . . . . . 5872 1 374 . 1 1 46 46 MET HB3 H 1 1.70 0.02 . 2 . . . . . . . . 5872 1 375 . 1 1 47 47 LEU H H 1 8.23 0.02 . 1 . . . . . . . . 5872 1 376 . 1 1 47 47 LEU N N 15 120.73 0.25 . 1 . . . . . . . . 5872 1 377 . 1 1 47 47 LEU C C 13 180.00 0.2 . 1 . . . . . . . . 5872 1 378 . 1 1 47 47 LEU CA C 13 58.26 0.2 . 1 . . . . . . . . 5872 1 379 . 1 1 47 47 LEU CB C 13 40.44 0.2 . 1 . . . . . . . . 5872 1 380 . 1 1 47 47 LEU CG C 13 25.15 0.2 . 1 . . . . . . . . 5872 1 381 . 1 1 47 47 LEU CD1 C 13 21.32 0.2 . 2 . . . . . . . . 5872 1 382 . 1 1 47 47 LEU HA H 1 4.05 0.02 . 1 . . . . . . . . 5872 1 383 . 1 1 47 47 LEU HB2 H 1 1.91 0.02 . 2 . . . . . . . . 5872 1 384 . 1 1 47 47 LEU HB3 H 1 1.77 0.02 . 2 . . . . . . . . 5872 1 385 . 1 1 48 48 PHE H H 1 8.49 0.02 . 1 . . . . . . . . 5872 1 386 . 1 1 48 48 PHE N N 15 120.46 0.25 . 1 . . . . . . . . 5872 1 387 . 1 1 48 48 PHE C C 13 176.31 0.2 . 1 . . . . . . . . 5872 1 388 . 1 1 48 48 PHE CA C 13 60.37 0.2 . 1 . . . . . . . . 5872 1 389 . 1 1 48 48 PHE CB C 13 38.90 0.2 . 1 . . . . . . . . 5872 1 390 . 1 1 48 48 PHE HA H 1 3.30 0.02 . 1 . . . . . . . . 5872 1 391 . 1 1 48 48 PHE HB2 H 1 2.79 0.02 . 2 . . . . . . . . 5872 1 392 . 1 1 48 48 PHE HB3 H 1 2.49 0.02 . 2 . . . . . . . . 5872 1 393 . 1 1 49 49 TRP H H 1 8.07 0.02 . 1 . . . . . . . . 5872 1 394 . 1 1 49 49 TRP N N 15 121.61 0.25 . 1 . . . . . . . . 5872 1 395 . 1 1 49 49 TRP C C 13 178.35 0.2 . 1 . . . . . . . . 5872 1 396 . 1 1 49 49 TRP CA C 13 64.58 0.2 . 1 . . . . . . . . 5872 1 397 . 1 1 49 49 TRP CB C 13 29.36 0.2 . 1 . . . . . . . . 5872 1 398 . 1 1 49 49 TRP HA H 1 3.78 0.02 . 1 . . . . . . . . 5872 1 399 . 1 1 49 49 TRP HB2 H 1 3.32 0.02 . 1 . . . . . . . . 5872 1 400 . 1 1 49 49 TRP HB3 H 1 3.32 0.02 . 1 . . . . . . . . 5872 1 401 . 1 1 50 50 MET H H 1 9.06 0.02 . 1 . . . . . . . . 5872 1 402 . 1 1 50 50 MET N N 15 115.94 0.25 . 1 . . . . . . . . 5872 1 403 . 1 1 50 50 MET C C 13 178.40 0.2 . 1 . . . . . . . . 5872 1 404 . 1 1 50 50 MET CA C 13 59.12 0.2 . 1 . . . . . . . . 5872 1 405 . 1 1 50 50 MET CB C 13 33.84 0.2 . 1 . . . . . . . . 5872 1 406 . 1 1 50 50 MET CG C 13 32.18 0.2 . 1 . . . . . . . . 5872 1 407 . 1 1 50 50 MET HA H 1 3.56 0.02 . 1 . . . . . . . . 5872 1 408 . 1 1 50 50 MET HB2 H 1 2.19 0.02 . 1 . . . . . . . . 5872 1 409 . 1 1 50 50 MET HB3 H 1 2.19 0.02 . 1 . . . . . . . . 5872 1 410 . 1 1 51 51 ALA H H 1 8.04 0.02 . 1 . . . . . . . . 5872 1 411 . 1 1 51 51 ALA N N 15 124.18 0.25 . 1 . . . . . . . . 5872 1 412 . 1 1 51 51 ALA C C 13 181.07 0.2 . 1 . . . . . . . . 5872 1 413 . 1 1 51 51 ALA CA C 13 55.04 0.2 . 1 . . . . . . . . 5872 1 414 . 1 1 51 51 ALA CB C 13 17.74 0.2 . 1 . . . . . . . . 5872 1 415 . 1 1 51 51 ALA HA H 1 4.02 0.02 . 1 . . . . . . . . 5872 1 416 . 1 1 51 51 ALA HB1 H 1 1.37 0.02 . 1 . . . . . . . . 5872 1 417 . 1 1 51 51 ALA HB2 H 1 1.37 0.02 . 1 . . . . . . . . 5872 1 418 . 1 1 51 51 ALA HB3 H 1 1.37 0.02 . 1 . . . . . . . . 5872 1 419 . 1 1 52 52 CYS H H 1 7.57 0.02 . 1 . . . . . . . . 5872 1 420 . 1 1 52 52 CYS N N 15 117.17 0.25 . 1 . . . . . . . . 5872 1 421 . 1 1 52 52 CYS C C 13 176.40 0.2 . 1 . . . . . . . . 5872 1 422 . 1 1 52 52 CYS CA C 13 63.55 0.2 . 1 . . . . . . . . 5872 1 423 . 1 1 52 52 CYS CB C 13 25.68 0.2 . 1 . . . . . . . . 5872 1 424 . 1 1 52 52 CYS HA H 1 3.61 0.02 . 1 . . . . . . . . 5872 1 425 . 1 1 52 52 CYS HB2 H 1 2.48 0.02 . 2 . . . . . . . . 5872 1 426 . 1 1 52 52 CYS HB3 H 1 2.03 0.02 . 2 . . . . . . . . 5872 1 427 . 1 1 53 53 GLU H H 1 7.20 0.02 . 1 . . . . . . . . 5872 1 428 . 1 1 53 53 GLU N N 15 119.36 0.25 . 1 . . . . . . . . 5872 1 429 . 1 1 53 53 GLU C C 13 178.90 0.2 . 1 . . . . . . . . 5872 1 430 . 1 1 53 53 GLU CA C 13 58.24 0.2 . 1 . . . . . . . . 5872 1 431 . 1 1 53 53 GLU CB C 13 28.88 0.2 . 1 . . . . . . . . 5872 1 432 . 1 1 53 53 GLU CG C 13 34.59 0.2 . 1 . . . . . . . . 5872 1 433 . 1 1 53 53 GLU HA H 1 4.01 0.02 . 1 . . . . . . . . 5872 1 434 . 1 1 53 53 GLU HB2 H 1 2.87 0.02 . 2 . . . . . . . . 5872 1 435 . 1 1 53 53 GLU HB3 H 1 1.37 0.02 . 2 . . . . . . . . 5872 1 436 . 1 1 54 54 GLU H H 1 7.54 0.02 . 1 . . . . . . . . 5872 1 437 . 1 1 54 54 GLU N N 15 117.20 0.25 . 1 . . . . . . . . 5872 1 438 . 1 1 54 54 GLU C C 13 179.59 0.2 . 1 . . . . . . . . 5872 1 439 . 1 1 54 54 GLU CA C 13 58.52 0.2 . 1 . . . . . . . . 5872 1 440 . 1 1 54 54 GLU CB C 13 29.78 0.2 . 1 . . . . . . . . 5872 1 441 . 1 1 54 54 GLU CG C 13 36.32 0.2 . 1 . . . . . . . . 5872 1 442 . 1 1 54 54 GLU HA H 1 3.80 0.02 . 1 . . . . . . . . 5872 1 443 . 1 1 54 54 GLU HB2 H 1 1.96 0.02 . 1 . . . . . . . . 5872 1 444 . 1 1 54 54 GLU HB3 H 1 1.96 0.02 . 1 . . . . . . . . 5872 1 445 . 1 1 55 55 LEU H H 1 7.63 0.02 . 1 . . . . . . . . 5872 1 446 . 1 1 55 55 LEU N N 15 121.78 0.25 . 1 . . . . . . . . 5872 1 447 . 1 1 55 55 LEU C C 13 177.99 0.2 . 1 . . . . . . . . 5872 1 448 . 1 1 55 55 LEU CA C 13 57.90 0.2 . 1 . . . . . . . . 5872 1 449 . 1 1 55 55 LEU CB C 13 41.69 0.2 . 1 . . . . . . . . 5872 1 450 . 1 1 55 55 LEU CG C 13 26.68 0.2 . 1 . . . . . . . . 5872 1 451 . 1 1 55 55 LEU CD1 C 13 25.35 0.2 . 2 . . . . . . . . 5872 1 452 . 1 1 55 55 LEU HA H 1 3.85 0.02 . 1 . . . . . . . . 5872 1 453 . 1 1 55 55 LEU HB2 H 1 1.99 0.02 . 2 . . . . . . . . 5872 1 454 . 1 1 55 55 LEU HB3 H 1 1.42 0.02 . 2 . . . . . . . . 5872 1 455 . 1 1 56 56 LYS H H 1 7.34 0.02 . 1 . . . . . . . . 5872 1 456 . 1 1 56 56 LYS N N 15 114.27 0.25 . 1 . . . . . . . . 5872 1 457 . 1 1 56 56 LYS C C 13 176.85 0.2 . 1 . . . . . . . . 5872 1 458 . 1 1 56 56 LYS CA C 13 58.57 0.2 . 1 . . . . . . . . 5872 1 459 . 1 1 56 56 LYS CB C 13 32.38 0.2 . 1 . . . . . . . . 5872 1 460 . 1 1 56 56 LYS CG C 13 25.15 0.2 . 1 . . . . . . . . 5872 1 461 . 1 1 56 56 LYS CD C 13 29.42 0.2 . 1 . . . . . . . . 5872 1 462 . 1 1 56 56 LYS HA H 1 3.65 0.02 . 1 . . . . . . . . 5872 1 463 . 1 1 56 56 LYS HB2 H 1 1.64 0.02 . 2 . . . . . . . . 5872 1 464 . 1 1 56 56 LYS HB3 H 1 1.55 0.02 . 2 . . . . . . . . 5872 1 465 . 1 1 57 57 LYS H H 1 7.07 0.02 . 1 . . . . . . . . 5872 1 466 . 1 1 57 57 LYS N N 15 115.66 0.25 . 1 . . . . . . . . 5872 1 467 . 1 1 57 57 LYS C C 13 176.85 0.2 . 1 . . . . . . . . 5872 1 468 . 1 1 57 57 LYS CA C 13 55.92 0.2 . 1 . . . . . . . . 5872 1 469 . 1 1 57 57 LYS CB C 13 32.93 0.2 . 1 . . . . . . . . 5872 1 470 . 1 1 57 57 LYS CG C 13 24.86 0.2 . 1 . . . . . . . . 5872 1 471 . 1 1 57 57 LYS CD C 13 28.96 0.2 . 1 . . . . . . . . 5872 1 472 . 1 1 57 57 LYS CE C 13 41.77 0.2 . 1 . . . . . . . . 5872 1 473 . 1 1 57 57 LYS HA H 1 4.15 0.02 . 1 . . . . . . . . 5872 1 474 . 1 1 57 57 LYS HB2 H 1 1.86 0.02 . 2 . . . . . . . . 5872 1 475 . 1 1 57 57 LYS HB3 H 1 1.67 0.02 . 2 . . . . . . . . 5872 1 476 . 1 1 58 58 GLU H H 1 7.46 0.02 . 1 . . . . . . . . 5872 1 477 . 1 1 58 58 GLU N N 15 121.43 0.25 . 1 . . . . . . . . 5872 1 478 . 1 1 58 58 GLU C C 13 174.98 0.2 . 1 . . . . . . . . 5872 1 479 . 1 1 58 58 GLU CA C 13 56.15 0.2 . 1 . . . . . . . . 5872 1 480 . 1 1 58 58 GLU CB C 13 30.44 0.2 . 1 . . . . . . . . 5872 1 481 . 1 1 58 58 GLU CG C 13 36.19 0.2 . 1 . . . . . . . . 5872 1 482 . 1 1 58 58 GLU HA H 1 4.11 0.02 . 1 . . . . . . . . 5872 1 483 . 1 1 58 58 GLU HB2 H 1 1.93 0.02 . 2 . . . . . . . . 5872 1 484 . 1 1 58 58 GLU HB3 H 1 1.82 0.02 . 2 . . . . . . . . 5872 1 485 . 1 1 59 59 ALA H H 1 8.28 0.02 . 1 . . . . . . . . 5872 1 486 . 1 1 59 59 ALA N N 15 123.99 0.25 . 1 . . . . . . . . 5872 1 487 . 1 1 59 59 ALA C C 13 177.90 0.2 . 1 . . . . . . . . 5872 1 488 . 1 1 59 59 ALA CA C 13 52.23 0.2 . 1 . . . . . . . . 5872 1 489 . 1 1 59 59 ALA CB C 13 21.21 0.2 . 1 . . . . . . . . 5872 1 490 . 1 1 59 59 ALA HA H 1 4.43 0.02 . 1 . . . . . . . . 5872 1 491 . 1 1 59 59 ALA HB1 H 1 1.33 0.02 . 1 . . . . . . . . 5872 1 492 . 1 1 59 59 ALA HB2 H 1 1.33 0.02 . 1 . . . . . . . . 5872 1 493 . 1 1 59 59 ALA HB3 H 1 1.33 0.02 . 1 . . . . . . . . 5872 1 494 . 1 1 60 60 ASN H H 1 8.98 0.02 . 1 . . . . . . . . 5872 1 495 . 1 1 60 60 ASN N N 15 119.74 0.25 . 1 . . . . . . . . 5872 1 496 . 1 1 60 60 ASN C C 13 175.78 0.2 . 1 . . . . . . . . 5872 1 497 . 1 1 60 60 ASN CA C 13 53.13 0.2 . 1 . . . . . . . . 5872 1 498 . 1 1 60 60 ASN CB C 13 39.32 0.2 . 1 . . . . . . . . 5872 1 499 . 1 1 60 60 ASN ND2 N 15 113.23 0.25 . 1 . . . . . . . . 5872 1 500 . 1 1 60 60 ASN HD21 H 1 7.8 0.02 . 1 . . . . . . . . 5872 1 501 . 1 1 60 60 ASN HD22 H 1 7.17 0.02 . 1 . . . . . . . . 5872 1 502 . 1 1 60 60 ASN HA H 1 4.68 0.02 . 1 . . . . . . . . 5872 1 503 . 1 1 60 60 ASN HB2 H 1 2.94 0.02 . 2 . . . . . . . . 5872 1 504 . 1 1 60 60 ASN HB3 H 1 2.75 0.02 . 2 . . . . . . . . 5872 1 505 . 1 1 61 61 LYS H H 1 8.86 0.02 . 1 . . . . . . . . 5872 1 506 . 1 1 61 61 LYS N N 15 126.78 0.25 . 1 . . . . . . . . 5872 1 507 . 1 1 61 61 LYS C C 13 177.45 0.2 . 1 . . . . . . . . 5872 1 508 . 1 1 61 61 LYS CA C 13 59.67 0.2 . 1 . . . . . . . . 5872 1 509 . 1 1 61 61 LYS CB C 13 32.59 0.2 . 1 . . . . . . . . 5872 1 510 . 1 1 61 61 LYS CG C 13 24.51 0.2 . 1 . . . . . . . . 5872 1 511 . 1 1 61 61 LYS CD C 13 29.13 0.2 . 1 . . . . . . . . 5872 1 512 . 1 1 61 61 LYS CE C 13 41.97 0.2 . 1 . . . . . . . . 5872 1 513 . 1 1 61 61 LYS HA H 1 3.84 0.02 . 1 . . . . . . . . 5872 1 514 . 1 1 61 61 LYS HB2 H 1 1.87 0.02 . 2 . . . . . . . . 5872 1 515 . 1 1 61 61 LYS HB3 H 1 1.77 0.02 . 2 . . . . . . . . 5872 1 516 . 1 1 62 62 ASN H H 1 8.26 0.02 . 1 . . . . . . . . 5872 1 517 . 1 1 62 62 ASN N N 15 115.65 0.25 . 1 . . . . . . . . 5872 1 518 . 1 1 62 62 ASN C C 13 178.31 0.2 . 1 . . . . . . . . 5872 1 519 . 1 1 62 62 ASN CA C 13 56.07 0.2 . 1 . . . . . . . . 5872 1 520 . 1 1 62 62 ASN CB C 13 37.83 0.2 . 1 . . . . . . . . 5872 1 521 . 1 1 62 62 ASN ND2 N 15 112.83 0.25 . 1 . . . . . . . . 5872 1 522 . 1 1 62 62 ASN HD21 H 1 7.00 0.02 . 1 . . . . . . . . 5872 1 523 . 1 1 62 62 ASN HA H 1 4.47 0.02 . 1 . . . . . . . . 5872 1 524 . 1 1 62 62 ASN HB2 H 1 2.79 0.02 . 1 . . . . . . . . 5872 1 525 . 1 1 62 62 ASN HB3 H 1 2.79 0.02 . 1 . . . . . . . . 5872 1 526 . 1 1 63 63 ILE H H 1 7.49 0.02 . 1 . . . . . . . . 5872 1 527 . 1 1 63 63 ILE N N 15 120.20 0.25 . 1 . . . . . . . . 5872 1 528 . 1 1 63 63 ILE C C 13 177.38 0.2 . 1 . . . . . . . . 5872 1 529 . 1 1 63 63 ILE CA C 13 62.71 0.2 . 1 . . . . . . . . 5872 1 530 . 1 1 63 63 ILE CB C 13 37.51 0.2 . 1 . . . . . . . . 5872 1 531 . 1 1 63 63 ILE CG1 C 13 27.62 0.2 . 1 . . . . . . . . 5872 1 532 . 1 1 63 63 ILE CG2 C 13 17.48 0.2 . 1 . . . . . . . . 5872 1 533 . 1 1 63 63 ILE CD1 C 13 11.49 0.2 . 1 . . . . . . . . 5872 1 534 . 1 1 63 63 ILE HA H 1 4.00 0.02 . 1 . . . . . . . . 5872 1 535 . 1 1 63 63 ILE HB H 1 1.97 0.02 . 1 . . . . . . . . 5872 1 536 . 1 1 64 64 ILE H H 1 8.09 0.02 . 1 . . . . . . . . 5872 1 537 . 1 1 64 64 ILE N N 15 121.24 0.25 . 1 . . . . . . . . 5872 1 538 . 1 1 64 64 ILE C C 13 177.04 0.2 . 1 . . . . . . . . 5872 1 539 . 1 1 64 64 ILE CA C 13 65.32 0.2 . 1 . . . . . . . . 5872 1 540 . 1 1 64 64 ILE CB C 13 37.60 0.2 . 1 . . . . . . . . 5872 1 541 . 1 1 64 64 ILE CG1 C 13 27.62 0.2 . 1 . . . . . . . . 5872 1 542 . 1 1 64 64 ILE CG2 C 13 17.48 0.2 . 1 . . . . . . . . 5872 1 543 . 1 1 64 64 ILE CD1 C 13 11.53 0.2 . 1 . . . . . . . . 5872 1 544 . 1 1 64 64 ILE HA H 1 3.32 0.02 . 1 . . . . . . . . 5872 1 545 . 1 1 64 64 ILE HB H 1 1.77 0.02 . 1 . . . . . . . . 5872 1 546 . 1 1 65 65 GLU H H 1 7.97 0.02 . 1 . . . . . . . . 5872 1 547 . 1 1 65 65 GLU N N 15 117.17 0.25 . 1 . . . . . . . . 5872 1 548 . 1 1 65 65 GLU C C 13 178.13 0.2 . 1 . . . . . . . . 5872 1 549 . 1 1 65 65 GLU CA C 13 60.46 0.2 . 1 . . . . . . . . 5872 1 550 . 1 1 65 65 GLU CB C 13 29.03 0.2 . 1 . . . . . . . . 5872 1 551 . 1 1 65 65 GLU CG C 13 36.64 0.2 . 1 . . . . . . . . 5872 1 552 . 1 1 65 65 GLU HA H 1 3.63 0.02 . 1 . . . . . . . . 5872 1 553 . 1 1 65 65 GLU HB2 H 1 2.08 0.02 . 2 . . . . . . . . 5872 1 554 . 1 1 65 65 GLU HB3 H 1 1.99 0.02 . 2 . . . . . . . . 5872 1 555 . 1 1 66 66 GLU H H 1 7.64 0.02 . 1 . . . . . . . . 5872 1 556 . 1 1 66 66 GLU N N 15 118.64 0.25 . 1 . . . . . . . . 5872 1 557 . 1 1 66 66 GLU C C 13 179.26 0.2 . 1 . . . . . . . . 5872 1 558 . 1 1 66 66 GLU CA C 13 59.20 0.2 . 1 . . . . . . . . 5872 1 559 . 1 1 66 66 GLU CB C 13 29.98 0.2 . 1 . . . . . . . . 5872 1 560 . 1 1 66 66 GLU CG C 13 35.92 0.2 . 1 . . . . . . . . 5872 1 561 . 1 1 66 66 GLU HA H 1 4.02 0.02 . 1 . . . . . . . . 5872 1 562 . 1 1 66 66 GLU HB2 H 1 2.08 0.02 . 1 . . . . . . . . 5872 1 563 . 1 1 66 66 GLU HB3 H 1 2.08 0.02 . 1 . . . . . . . . 5872 1 564 . 1 1 67 67 LYS H H 1 8.77 0.02 . 1 . . . . . . . . 5872 1 565 . 1 1 67 67 LYS N N 15 118.09 0.25 . 1 . . . . . . . . 5872 1 566 . 1 1 67 67 LYS C C 13 179.64 0.2 . 1 . . . . . . . . 5872 1 567 . 1 1 67 67 LYS CA C 13 59.68 0.2 . 1 . . . . . . . . 5872 1 568 . 1 1 67 67 LYS CB C 13 30.61 0.2 . 1 . . . . . . . . 5872 1 569 . 1 1 67 67 LYS CG C 13 26.57 0.2 . 1 . . . . . . . . 5872 1 570 . 1 1 67 67 LYS CD C 13 29.36 0.2 . 1 . . . . . . . . 5872 1 571 . 1 1 67 67 LYS CE C 13 41.99 0.2 . 1 . . . . . . . . 5872 1 572 . 1 1 67 67 LYS HA H 1 4.01 0.02 . 1 . . . . . . . . 5872 1 573 . 1 1 67 67 LYS HB2 H 1 1.87 0.02 . 2 . . . . . . . . 5872 1 574 . 1 1 67 67 LYS HB3 H 1 1.74 0.02 . 2 . . . . . . . . 5872 1 575 . 1 1 68 68 ALA H H 1 9.10 0.02 . 1 . . . . . . . . 5872 1 576 . 1 1 68 68 ALA N N 15 121.56 0.25 . 1 . . . . . . . . 5872 1 577 . 1 1 68 68 ALA C C 13 179.28 0.2 . 1 . . . . . . . . 5872 1 578 . 1 1 68 68 ALA CA C 13 55.53 0.2 . 1 . . . . . . . . 5872 1 579 . 1 1 68 68 ALA CB C 13 17.73 0.2 . 1 . . . . . . . . 5872 1 580 . 1 1 68 68 ALA HA H 1 4.32 0.02 . 1 . . . . . . . . 5872 1 581 . 1 1 68 68 ALA HB1 H 1 1.44 0.02 . 1 . . . . . . . . 5872 1 582 . 1 1 68 68 ALA HB2 H 1 1.44 0.02 . 1 . . . . . . . . 5872 1 583 . 1 1 68 68 ALA HB3 H 1 1.44 0.02 . 1 . . . . . . . . 5872 1 584 . 1 1 69 69 ARG H H 1 7.96 0.02 . 1 . . . . . . . . 5872 1 585 . 1 1 69 69 ARG N N 15 117.67 0.25 . 1 . . . . . . . . 5872 1 586 . 1 1 69 69 ARG C C 13 178.31 0.2 . 1 . . . . . . . . 5872 1 587 . 1 1 69 69 ARG CA C 13 60.08 0.2 . 1 . . . . . . . . 5872 1 588 . 1 1 69 69 ARG CB C 13 29.31 0.2 . 1 . . . . . . . . 5872 1 589 . 1 1 69 69 ARG CG C 13 27.90 0.2 . 1 . . . . . . . . 5872 1 590 . 1 1 69 69 ARG CD C 13 43.00 0.2 . 1 . . . . . . . . 5872 1 591 . 1 1 69 69 ARG HA H 1 4.00 0.02 . 1 . . . . . . . . 5872 1 592 . 1 1 69 69 ARG HB2 H 1 1.99 0.02 . 1 . . . . . . . . 5872 1 593 . 1 1 69 69 ARG HB3 H 1 1.99 0.02 . 1 . . . . . . . . 5872 1 594 . 1 1 70 70 ILE H H 1 7.70 0.02 . 1 . . . . . . . . 5872 1 595 . 1 1 70 70 ILE N N 15 120.21 0.25 . 1 . . . . . . . . 5872 1 596 . 1 1 70 70 ILE C C 13 177.99 0.2 . 1 . . . . . . . . 5872 1 597 . 1 1 70 70 ILE CA C 13 64.89 0.2 . 1 . . . . . . . . 5872 1 598 . 1 1 70 70 ILE CB C 13 38.24 0.2 . 1 . . . . . . . . 5872 1 599 . 1 1 70 70 ILE CG1 C 13 29.06 0.2 . 1 . . . . . . . . 5872 1 600 . 1 1 70 70 ILE CG2 C 13 17.14 0.2 . 1 . . . . . . . . 5872 1 601 . 1 1 70 70 ILE HA H 1 3.73 0.02 . 1 . . . . . . . . 5872 1 602 . 1 1 70 70 ILE HB H 1 1.86 0.02 . 1 . . . . . . . . 5872 1 603 . 1 1 71 71 ILE H H 1 7.95 0.02 . 1 . . . . . . . . 5872 1 604 . 1 1 71 71 ILE N N 15 119.75 0.25 . 1 . . . . . . . . 5872 1 605 . 1 1 71 71 ILE C C 13 178.30 0.2 . 1 . . . . . . . . 5872 1 606 . 1 1 71 71 ILE CA C 13 65.37 0.2 . 1 . . . . . . . . 5872 1 607 . 1 1 71 71 ILE CB C 13 38.02 0.2 . 1 . . . . . . . . 5872 1 608 . 1 1 71 71 ILE CG2 C 13 17.91 0.2 . 1 . . . . . . . . 5872 1 609 . 1 1 71 71 ILE HA H 1 3.73 0.02 . 1 . . . . . . . . 5872 1 610 . 1 1 71 71 ILE HB H 1 1.85 0.02 . 1 . . . . . . . . 5872 1 611 . 1 1 72 72 TYR H H 1 8.78 0.02 . 1 . . . . . . . . 5872 1 612 . 1 1 72 72 TYR N N 15 120.02 0.25 . 1 . . . . . . . . 5872 1 613 . 1 1 72 72 TYR C C 13 178.14 0.2 . 1 . . . . . . . . 5872 1 614 . 1 1 72 72 TYR CA C 13 62.08 0.2 . 1 . . . . . . . . 5872 1 615 . 1 1 72 72 TYR CB C 13 39.22 0.2 . 1 . . . . . . . . 5872 1 616 . 1 1 72 72 TYR HA H 1 3.90 0.02 . 1 . . . . . . . . 5872 1 617 . 1 1 72 72 TYR HB2 H 1 3.40 0.02 . 1 . . . . . . . . 5872 1 618 . 1 1 72 72 TYR HB3 H 1 3.40 0.02 . 1 . . . . . . . . 5872 1 619 . 1 1 73 73 GLU H H 1 8.71 0.02 . 1 . . . . . . . . 5872 1 620 . 1 1 73 73 GLU N N 15 118.95 0.25 . 1 . . . . . . . . 5872 1 621 . 1 1 73 73 GLU C C 13 177.79 0.2 . 1 . . . . . . . . 5872 1 622 . 1 1 73 73 GLU CA C 13 58.92 0.2 . 1 . . . . . . . . 5872 1 623 . 1 1 73 73 GLU CB C 13 29.48 0.2 . 1 . . . . . . . . 5872 1 624 . 1 1 73 73 GLU CG C 13 36.61 0.2 . 1 . . . . . . . . 5872 1 625 . 1 1 73 73 GLU HA H 1 3.85 0.02 . 1 . . . . . . . . 5872 1 626 . 1 1 73 73 GLU HB2 H 1 2.05 0.02 . 1 . . . . . . . . 5872 1 627 . 1 1 73 73 GLU HB3 H 1 2.05 0.02 . 1 . . . . . . . . 5872 1 628 . 1 1 74 74 ASP H H 1 8.22 0.02 . 1 . . . . . . . . 5872 1 629 . 1 1 74 74 ASP N N 15 116.71 0.25 . 1 . . . . . . . . 5872 1 630 . 1 1 74 74 ASP C C 13 177.85 0.2 . 1 . . . . . . . . 5872 1 631 . 1 1 74 74 ASP CA C 13 56.47 0.2 . 1 . . . . . . . . 5872 1 632 . 1 1 74 74 ASP CB C 13 40.90 0.2 . 1 . . . . . . . . 5872 1 633 . 1 1 74 74 ASP HA H 1 4.35 0.02 . 1 . . . . . . . . 5872 1 634 . 1 1 74 74 ASP HB2 H 1 2.33 0.02 . 2 . . . . . . . . 5872 1 635 . 1 1 74 74 ASP HB3 H 1 1.23 0.02 . 2 . . . . . . . . 5872 1 636 . 1 1 75 75 TYR H H 1 7.96 0.02 . 1 . . . . . . . . 5872 1 637 . 1 1 75 75 TYR N N 15 112.59 0.25 . 1 . . . . . . . . 5872 1 638 . 1 1 75 75 TYR C C 13 174.78 0.2 . 1 . . . . . . . . 5872 1 639 . 1 1 75 75 TYR CA C 13 58.58 0.2 . 1 . . . . . . . . 5872 1 640 . 1 1 75 75 TYR CB C 13 41.61 0.2 . 1 . . . . . . . . 5872 1 641 . 1 1 75 75 TYR HA H 1 4.69 0.02 . 1 . . . . . . . . 5872 1 642 . 1 1 75 75 TYR HB2 H 1 2.73 0.02 . 1 . . . . . . . . 5872 1 643 . 1 1 75 75 TYR HB3 H 1 2.73 0.02 . 1 . . . . . . . . 5872 1 644 . 1 1 76 76 ILE H H 1 7.48 0.02 . 1 . . . . . . . . 5872 1 645 . 1 1 76 76 ILE N N 15 116.00 0.25 . 1 . . . . . . . . 5872 1 646 . 1 1 76 76 ILE C C 13 176.27 0.2 . 1 . . . . . . . . 5872 1 647 . 1 1 76 76 ILE CA C 13 59.92 0.2 . 1 . . . . . . . . 5872 1 648 . 1 1 76 76 ILE CB C 13 36.65 0.2 . 1 . . . . . . . . 5872 1 649 . 1 1 76 76 ILE CG1 C 13 27.22 0.2 . 1 . . . . . . . . 5872 1 650 . 1 1 76 76 ILE CG2 C 13 18.30 0.2 . 1 . . . . . . . . 5872 1 651 . 1 1 76 76 ILE HA H 1 4.00 0.02 . 1 . . . . . . . . 5872 1 652 . 1 1 76 76 ILE HB H 1 1.71 0.02 . 1 . . . . . . . . 5872 1 653 . 1 1 77 77 SER H H 1 7.56 0.02 . 1 . . . . . . . . 5872 1 654 . 1 1 77 77 SER N N 15 113.17 0.25 . 1 . . . . . . . . 5872 1 655 . 1 1 77 77 SER C C 13 175.34 0.2 . 1 . . . . . . . . 5872 1 656 . 1 1 77 77 SER CA C 13 57.66 0.2 . 1 . . . . . . . . 5872 1 657 . 1 1 77 77 SER CB C 13 63.50 0.2 . 1 . . . . . . . . 5872 1 658 . 1 1 77 77 SER HA H 1 3.84 0.02 . 1 . . . . . . . . 5872 1 659 . 1 1 77 77 SER HB2 H 1 3.64 0.02 . 2 . . . . . . . . 5872 1 660 . 1 1 77 77 SER HB3 H 1 3.46 0.02 . 2 . . . . . . . . 5872 1 661 . 1 1 78 78 ILE H H 1 8.16 0.02 . 1 . . . . . . . . 5872 1 662 . 1 1 78 78 ILE N N 15 123.45 0.25 . 1 . . . . . . . . 5872 1 663 . 1 1 78 78 ILE CA C 13 62.78 0.2 . 1 . . . . . . . . 5872 1 664 . 1 1 78 78 ILE CB C 13 37.62 0.2 . 1 . . . . . . . . 5872 1 665 . 1 1 79 79 LEU C C 13 177.30 0.2 . 1 . . . . . . . . 5872 1 666 . 1 1 79 79 LEU CA C 13 54.98 0.2 . 1 . . . . . . . . 5872 1 667 . 1 1 79 79 LEU CB C 13 40.54 0.2 . 1 . . . . . . . . 5872 1 668 . 1 1 79 79 LEU CG C 13 26.89 0.2 . 1 . . . . . . . . 5872 1 669 . 1 1 79 79 LEU CD1 C 13 25.16 0.2 . 2 . . . . . . . . 5872 1 670 . 1 1 79 79 LEU CD2 C 13 22.37 0.2 . 2 . . . . . . . . 5872 1 671 . 1 1 79 79 LEU HA H 1 4.13 0.02 . 1 . . . . . . . . 5872 1 672 . 1 1 79 79 LEU HB2 H 1 1.57 0.02 . 1 . . . . . . . . 5872 1 673 . 1 1 79 79 LEU HB3 H 1 1.64 0.02 . 1 . . . . . . . . 5872 1 674 . 1 1 80 80 SER H H 1 7.59 0.02 . 1 . . . . . . . . 5872 1 675 . 1 1 80 80 SER N N 15 116.00 0.25 . 1 . . . . . . . . 5872 1 676 . 1 1 80 80 SER CA C 13 55.98 0.2 . 1 . . . . . . . . 5872 1 677 . 1 1 80 80 SER CB C 13 63.01 0.2 . 1 . . . . . . . . 5872 1 678 . 1 1 81 81 PRO C C 13 177.37 0.2 . 1 . . . . . . . . 5872 1 679 . 1 1 81 81 PRO CA C 13 64.02 0.2 . 1 . . . . . . . . 5872 1 680 . 1 1 81 81 PRO CB C 13 31.77 0.2 . 1 . . . . . . . . 5872 1 681 . 1 1 81 81 PRO CG C 13 27.20 0.2 . 1 . . . . . . . . 5872 1 682 . 1 1 81 81 PRO HA H 1 4.36 0.02 . 1 . . . . . . . . 5872 1 683 . 1 1 81 81 PRO HB2 H 1 2.40 0.02 . 1 . . . . . . . . 5872 1 684 . 1 1 81 81 PRO HB3 H 1 2.40 0.02 . 1 . . . . . . . . 5872 1 685 . 1 1 82 82 LYS H H 1 7.73 0.02 . 1 . . . . . . . . 5872 1 686 . 1 1 82 82 LYS N N 15 118.83 0.25 . 1 . . . . . . . . 5872 1 687 . 1 1 82 82 LYS CA C 13 54.67 0.2 . 1 . . . . . . . . 5872 1 688 . 1 1 82 82 LYS CB C 13 32.90 0.2 . 1 . . . . . . . . 5872 1 689 . 1 1 83 83 GLU C C 13 177.40 0.2 . 1 . . . . . . . . 5872 1 690 . 1 1 83 83 GLU CA C 13 56.55 0.2 . 1 . . . . . . . . 5872 1 691 . 1 1 83 83 GLU CB C 13 30.54 0.2 . 1 . . . . . . . . 5872 1 692 . 1 1 83 83 GLU CG C 13 34.94 0.2 . 1 . . . . . . . . 5872 1 693 . 1 1 83 83 GLU HA H 1 4.01 0.02 . 1 . . . . . . . . 5872 1 694 . 1 1 83 83 GLU HB2 H 1 1.94 0.02 . 2 . . . . . . . . 5872 1 695 . 1 1 83 83 GLU HB3 H 1 1.70 0.02 . 2 . . . . . . . . 5872 1 696 . 1 1 84 84 VAL H H 1 8.25 0.02 . 1 . . . . . . . . 5872 1 697 . 1 1 84 84 VAL N N 15 120.14 0.25 . 1 . . . . . . . . 5872 1 698 . 1 1 84 84 VAL C C 13 176.38 0.2 . 1 . . . . . . . . 5872 1 699 . 1 1 84 84 VAL CA C 13 59.54 0.2 . 1 . . . . . . . . 5872 1 700 . 1 1 84 84 VAL CB C 13 33.43 0.2 . 1 . . . . . . . . 5872 1 701 . 1 1 84 84 VAL CG1 C 13 21.99 0.2 . 2 . . . . . . . . 5872 1 702 . 1 1 84 84 VAL CG2 C 13 17.60 0.2 . 2 . . . . . . . . 5872 1 703 . 1 1 84 84 VAL HA H 1 4.47 0.02 . 1 . . . . . . . . 5872 1 704 . 1 1 84 84 VAL HB H 1 1.90 0.02 . 1 . . . . . . . . 5872 1 705 . 1 1 85 85 SER H H 1 8.76 0.02 . 1 . . . . . . . . 5872 1 706 . 1 1 85 85 SER N N 15 119.22 0.25 . 1 . . . . . . . . 5872 1 707 . 1 1 85 85 SER C C 13 173.14 0.2 . 1 . . . . . . . . 5872 1 708 . 1 1 85 85 SER CA C 13 57.95 0.2 . 1 . . . . . . . . 5872 1 709 . 1 1 85 85 SER CB C 13 62.38 0.2 . 1 . . . . . . . . 5872 1 710 . 1 1 85 85 SER HA H 1 4.26 0.02 . 1 . . . . . . . . 5872 1 711 . 1 1 85 85 SER HB2 H 1 3.80 0.02 . 2 . . . . . . . . 5872 1 712 . 1 1 85 85 SER HB3 H 1 3.66 0.02 . 2 . . . . . . . . 5872 1 713 . 1 1 86 86 LEU H H 1 7.53 0.02 . 1 . . . . . . . . 5872 1 714 . 1 1 86 86 LEU N N 15 124.25 0.25 . 1 . . . . . . . . 5872 1 715 . 1 1 86 86 LEU C C 13 176.78 0.2 . 1 . . . . . . . . 5872 1 716 . 1 1 86 86 LEU CA C 13 52.45 0.2 . 1 . . . . . . . . 5872 1 717 . 1 1 86 86 LEU CB C 13 46.21 0.2 . 1 . . . . . . . . 5872 1 718 . 1 1 86 86 LEU CG C 13 26.33 0.2 . 1 . . . . . . . . 5872 1 719 . 1 1 86 86 LEU CD1 C 13 24.04 0.2 . 2 . . . . . . . . 5872 1 720 . 1 1 86 86 LEU CD2 C 13 23.95 0.2 . 2 . . . . . . . . 5872 1 721 . 1 1 86 86 LEU HA H 1 4.67 0.02 . 1 . . . . . . . . 5872 1 722 . 1 1 86 86 LEU HB2 H 1 1.38 0.02 . 2 . . . . . . . . 5872 1 723 . 1 1 86 86 LEU HB3 H 1 1.27 0.02 . 2 . . . . . . . . 5872 1 724 . 1 1 87 87 ASP H H 1 8.76 0.02 . 1 . . . . . . . . 5872 1 725 . 1 1 87 87 ASP N N 15 122.68 0.25 . 1 . . . . . . . . 5872 1 726 . 1 1 87 87 ASP C C 13 176.93 0.2 . 1 . . . . . . . . 5872 1 727 . 1 1 87 87 ASP CA C 13 53.98 0.2 . 1 . . . . . . . . 5872 1 728 . 1 1 87 87 ASP CB C 13 42.22 0.2 . 1 . . . . . . . . 5872 1 729 . 1 1 87 87 ASP HA H 1 4.54 0.02 . 1 . . . . . . . . 5872 1 730 . 1 1 87 87 ASP HB2 H 1 2.90 0.02 . 2 . . . . . . . . 5872 1 731 . 1 1 87 87 ASP HB3 H 1 2.65 0.02 . 2 . . . . . . . . 5872 1 732 . 1 1 88 88 SER H H 1 8.80 0.02 . 1 . . . . . . . . 5872 1 733 . 1 1 88 88 SER N N 15 118.32 0.25 . 1 . . . . . . . . 5872 1 734 . 1 1 88 88 SER C C 13 176.78 0.2 . 1 . . . . . . . . 5872 1 735 . 1 1 88 88 SER CA C 13 57.58 0.2 . 1 . . . . . . . . 5872 1 736 . 1 1 88 88 SER CB C 13 63.14 0.2 . 1 . . . . . . . . 5872 1 737 . 1 1 88 88 SER HA H 1 4.03 0.02 . 1 . . . . . . . . 5872 1 738 . 1 1 88 88 SER HB2 H 1 3.92 0.02 . 1 . . . . . . . . 5872 1 739 . 1 1 88 88 SER HB3 H 1 3.92 0.02 . 1 . . . . . . . . 5872 1 740 . 1 1 89 89 ARG H H 1 8.51 0.02 . 1 . . . . . . . . 5872 1 741 . 1 1 89 89 ARG N N 15 122.43 0.25 . 1 . . . . . . . . 5872 1 742 . 1 1 89 89 ARG C C 13 178.85 0.2 . 1 . . . . . . . . 5872 1 743 . 1 1 89 89 ARG CA C 13 59.14 0.2 . 1 . . . . . . . . 5872 1 744 . 1 1 89 89 ARG CB C 13 29.53 0.2 . 1 . . . . . . . . 5872 1 745 . 1 1 89 89 ARG CG C 13 26.92 0.2 . 1 . . . . . . . . 5872 1 746 . 1 1 89 89 ARG CD C 13 42.93 0.2 . 1 . . . . . . . . 5872 1 747 . 1 1 89 89 ARG HA H 1 4.11 0.02 . 1 . . . . . . . . 5872 1 748 . 1 1 89 89 ARG HB2 H 1 1.89 0.02 . 1 . . . . . . . . 5872 1 749 . 1 1 89 89 ARG HB3 H 1 1.89 0.02 . 1 . . . . . . . . 5872 1 750 . 1 1 90 90 VAL H H 1 7.75 0.02 . 1 . . . . . . . . 5872 1 751 . 1 1 90 90 VAL N N 15 119.67 0.25 . 1 . . . . . . . . 5872 1 752 . 1 1 90 90 VAL C C 13 179.07 0.2 . 1 . . . . . . . . 5872 1 753 . 1 1 90 90 VAL CA C 13 65.40 0.2 . 1 . . . . . . . . 5872 1 754 . 1 1 90 90 VAL CB C 13 31.74 0.2 . 1 . . . . . . . . 5872 1 755 . 1 1 90 90 VAL CG1 C 13 23.24 0.2 . 2 . . . . . . . . 5872 1 756 . 1 1 90 90 VAL CG2 C 13 21.80 0.2 . 2 . . . . . . . . 5872 1 757 . 1 1 90 90 VAL HA H 1 3.78 0.02 . 1 . . . . . . . . 5872 1 758 . 1 1 90 90 VAL HB H 1 2.23 0.02 . 1 . . . . . . . . 5872 1 759 . 1 1 91 91 ARG H H 1 7.79 0.02 . 1 . . . . . . . . 5872 1 760 . 1 1 91 91 ARG N N 15 119.30 0.25 . 1 . . . . . . . . 5872 1 761 . 1 1 91 91 ARG C C 13 177.49 0.2 . 1 . . . . . . . . 5872 1 762 . 1 1 91 91 ARG CA C 13 60.36 0.2 . 1 . . . . . . . . 5872 1 763 . 1 1 91 91 ARG CB C 13 30.38 0.2 . 1 . . . . . . . . 5872 1 764 . 1 1 91 91 ARG CG C 13 28.73 0.2 . 1 . . . . . . . . 5872 1 765 . 1 1 91 91 ARG CD C 13 43.05 0.2 . 1 . . . . . . . . 5872 1 766 . 1 1 91 91 ARG HA H 1 3.77 0.02 . 1 . . . . . . . . 5872 1 767 . 1 1 91 91 ARG HB2 H 1 1.91 0.02 . 2 . . . . . . . . 5872 1 768 . 1 1 91 91 ARG HB3 H 1 1.76 0.02 . 2 . . . . . . . . 5872 1 769 . 1 1 92 92 GLU H H 1 8.18 0.02 . 1 . . . . . . . . 5872 1 770 . 1 1 92 92 GLU N N 15 119.17 0.25 . 1 . . . . . . . . 5872 1 771 . 1 1 92 92 GLU C C 13 179.02 0.2 . 1 . . . . . . . . 5872 1 772 . 1 1 92 92 GLU CA C 13 59.47 0.2 . 1 . . . . . . . . 5872 1 773 . 1 1 92 92 GLU CB C 13 29.40 0.2 . 1 . . . . . . . . 5872 1 774 . 1 1 92 92 GLU CG C 13 35.91 0.2 . 1 . . . . . . . . 5872 1 775 . 1 1 92 92 GLU HA H 1 4.09 0.02 . 1 . . . . . . . . 5872 1 776 . 1 1 92 92 GLU HB2 H 1 2.12 0.02 . 1 . . . . . . . . 5872 1 777 . 1 1 92 92 GLU HB3 H 1 2.12 0.02 . 1 . . . . . . . . 5872 1 778 . 1 1 93 93 VAL H H 1 7.63 0.02 . 1 . . . . . . . . 5872 1 779 . 1 1 93 93 VAL N N 15 119.98 0.25 . 1 . . . . . . . . 5872 1 780 . 1 1 93 93 VAL C C 13 178.69 0.2 . 1 . . . . . . . . 5872 1 781 . 1 1 93 93 VAL CA C 13 66.68 0.2 . 1 . . . . . . . . 5872 1 782 . 1 1 93 93 VAL CB C 13 31.97 0.2 . 1 . . . . . . . . 5872 1 783 . 1 1 93 93 VAL CG1 C 13 22.78 0.2 . 2 . . . . . . . . 5872 1 784 . 1 1 93 93 VAL CG2 C 13 21.49 0.2 . 2 . . . . . . . . 5872 1 785 . 1 1 93 93 VAL HA H 1 3.53 0.02 . 1 . . . . . . . . 5872 1 786 . 1 1 93 93 VAL HB H 1 2.12 0.02 . 1 . . . . . . . . 5872 1 787 . 1 1 94 94 ILE H H 1 7.78 0.02 . 1 . . . . . . . . 5872 1 788 . 1 1 94 94 ILE N N 15 120.34 0.25 . 1 . . . . . . . . 5872 1 789 . 1 1 94 94 ILE C C 13 177.87 0.2 . 1 . . . . . . . . 5872 1 790 . 1 1 94 94 ILE CA C 13 66.13 0.2 . 1 . . . . . . . . 5872 1 791 . 1 1 94 94 ILE CB C 13 38.30 0.2 . 1 . . . . . . . . 5872 1 792 . 1 1 94 94 ILE CG1 C 13 29.5 0.2 . 1 . . . . . . . . 5872 1 793 . 1 1 94 94 ILE CG2 C 13 18.92 0.2 . 1 . . . . . . . . 5872 1 794 . 1 1 94 94 ILE CD1 C 13 15.43 0.2 . 1 . . . . . . . . 5872 1 795 . 1 1 94 94 ILE HA H 1 3.55 0.02 . 1 . . . . . . . . 5872 1 796 . 1 1 94 94 ILE HB H 1 2.04 0.02 . 1 . . . . . . . . 5872 1 797 . 1 1 95 95 ASN H H 1 8.46 0.02 . 1 . . . . . . . . 5872 1 798 . 1 1 95 95 ASN N N 15 116.30 0.25 . 1 . . . . . . . . 5872 1 799 . 1 1 95 95 ASN C C 13 178.22 0.2 . 1 . . . . . . . . 5872 1 800 . 1 1 95 95 ASN CA C 13 56.43 0.2 . 1 . . . . . . . . 5872 1 801 . 1 1 95 95 ASN CB C 13 38.20 0.2 . 1 . . . . . . . . 5872 1 802 . 1 1 95 95 ASN HA H 1 4.15 0.02 . 1 . . . . . . . . 5872 1 803 . 1 1 95 95 ASN HB2 H 1 3.01 0.02 . 2 . . . . . . . . 5872 1 804 . 1 1 95 95 ASN HB3 H 1 2.81 0.02 . 2 . . . . . . . . 5872 1 805 . 1 1 96 96 ARG H H 1 7.78 0.02 . 1 . . . . . . . . 5872 1 806 . 1 1 96 96 ARG N N 15 118.03 0.25 . 1 . . . . . . . . 5872 1 807 . 1 1 96 96 ARG C C 13 177.94 0.2 . 1 . . . . . . . . 5872 1 808 . 1 1 96 96 ARG CA C 13 58.46 0.2 . 1 . . . . . . . . 5872 1 809 . 1 1 96 96 ARG CB C 13 30.29 0.2 . 1 . . . . . . . . 5872 1 810 . 1 1 96 96 ARG CG C 13 27.22 0.2 . 1 . . . . . . . . 5872 1 811 . 1 1 96 96 ARG CD C 13 43.50 0.2 . 1 . . . . . . . . 5872 1 812 . 1 1 96 96 ARG HA H 1 4.07 0.02 . 1 . . . . . . . . 5872 1 813 . 1 1 96 96 ARG HB2 H 1 1.89 0.02 . 1 . . . . . . . . 5872 1 814 . 1 1 96 96 ARG HB3 H 1 1.89 0.02 . 1 . . . . . . . . 5872 1 815 . 1 1 97 97 ASN H H 1 7.93 0.02 . 1 . . . . . . . . 5872 1 816 . 1 1 97 97 ASN N N 15 117.59 0.25 . 1 . . . . . . . . 5872 1 817 . 1 1 97 97 ASN C C 13 176.11 0.2 . 1 . . . . . . . . 5872 1 818 . 1 1 97 97 ASN CA C 13 54.29 0.2 . 1 . . . . . . . . 5872 1 819 . 1 1 97 97 ASN CB C 13 39.52 0.2 . 1 . . . . . . . . 5872 1 820 . 1 1 97 97 ASN ND2 N 15 113.14 0.25 . 1 . . . . . . . . 5872 1 821 . 1 1 97 97 ASN HD21 H 1 7.55 0.02 . 1 . . . . . . . . 5872 1 822 . 1 1 97 97 ASN HD22 H 1 7.02 0.02 . 1 . . . . . . . . 5872 1 823 . 1 1 97 97 ASN HA H 1 4.65 0.02 . 1 . . . . . . . . 5872 1 824 . 1 1 97 97 ASN HB2 H 1 2.84 0.02 . 2 . . . . . . . . 5872 1 825 . 1 1 97 97 ASN HB3 H 1 2.57 0.02 . 2 . . . . . . . . 5872 1 826 . 1 1 98 98 MET H H 1 7.66 0.02 . 1 . . . . . . . . 5872 1 827 . 1 1 98 98 MET N N 15 119.33 0.25 . 1 . . . . . . . . 5872 1 828 . 1 1 98 98 MET C C 13 176.58 0.2 . 1 . . . . . . . . 5872 1 829 . 1 1 98 98 MET CA C 13 54.86 0.2 . 1 . . . . . . . . 5872 1 830 . 1 1 98 98 MET CB C 13 29.90 0.2 . 1 . . . . . . . . 5872 1 831 . 1 1 98 98 MET CG C 13 32.34 0.2 . 1 . . . . . . . . 5872 1 832 . 1 1 98 98 MET HA H 1 4.14 0.02 . 1 . . . . . . . . 5872 1 833 . 1 1 98 98 MET HB2 H 1 1.84 0.02 . 2 . . . . . . . . 5872 1 834 . 1 1 98 98 MET HB3 H 1 1.75 0.02 . 2 . . . . . . . . 5872 1 835 . 1 1 99 99 VAL H H 1 6.94 0.02 . 1 . . . . . . . . 5872 1 836 . 1 1 99 99 VAL N N 15 116.15 0.25 . 1 . . . . . . . . 5872 1 837 . 1 1 99 99 VAL C C 13 176.18 0.2 . 1 . . . . . . . . 5872 1 838 . 1 1 99 99 VAL CA C 13 64.13 0.2 . 1 . . . . . . . . 5872 1 839 . 1 1 99 99 VAL CB C 13 31.33 0.2 . 1 . . . . . . . . 5872 1 840 . 1 1 99 99 VAL CG1 C 13 20.69 0.2 . 2 . . . . . . . . 5872 1 841 . 1 1 99 99 VAL HA H 1 3.80 0.02 . 1 . . . . . . . . 5872 1 842 . 1 1 99 99 VAL HB H 1 2.05 0.02 . 1 . . . . . . . . 5872 1 843 . 1 1 100 100 GLU H H 1 7.40 0.02 . 1 . . . . . . . . 5872 1 844 . 1 1 100 100 GLU N N 15 119.34 0.25 . 1 . . . . . . . . 5872 1 845 . 1 1 100 100 GLU CA C 13 53.84 0.2 . 1 . . . . . . . . 5872 1 846 . 1 1 100 100 GLU CB C 13 30.33 0.2 . 1 . . . . . . . . 5872 1 847 . 1 1 101 101 PRO C C 13 175.22 0.2 . 1 . . . . . . . . 5872 1 848 . 1 1 101 101 PRO CA C 13 63.54 0.2 . 1 . . . . . . . . 5872 1 849 . 1 1 101 101 PRO CB C 13 32.38 0.2 . 1 . . . . . . . . 5872 1 850 . 1 1 101 101 PRO CG C 13 27.20 0.2 . 1 . . . . . . . . 5872 1 851 . 1 1 101 101 PRO CD C 13 49.22 0.2 . 1 . . . . . . . . 5872 1 852 . 1 1 101 101 PRO HA H 1 4.17 0.02 . 1 . . . . . . . . 5872 1 853 . 1 1 101 101 PRO HB2 H 1 2.04 0.02 . 2 . . . . . . . . 5872 1 854 . 1 1 101 101 PRO HB3 H 1 1.55 0.02 . 2 . . . . . . . . 5872 1 855 . 1 1 102 102 SER H H 1 7.12 0.02 . 1 . . . . . . . . 5872 1 856 . 1 1 102 102 SER N N 15 114.30 0.25 . 1 . . . . . . . . 5872 1 857 . 1 1 102 102 SER C C 13 174.01 0.2 . 1 . . . . . . . . 5872 1 858 . 1 1 102 102 SER CA C 13 56.34 0.2 . 1 . . . . . . . . 5872 1 859 . 1 1 102 102 SER CB C 13 65.84 0.2 . 1 . . . . . . . . 5872 1 860 . 1 1 102 102 SER HA H 1 4.60 0.02 . 1 . . . . . . . . 5872 1 861 . 1 1 102 102 SER HB2 H 1 4.11 0.02 . 2 . . . . . . . . 5872 1 862 . 1 1 102 102 SER HB3 H 1 3.82 0.02 . 2 . . . . . . . . 5872 1 863 . 1 1 103 103 GLN H H 1 9.16 0.02 . 1 . . . . . . . . 5872 1 864 . 1 1 103 103 GLN N N 15 117.16 0.25 . 1 . . . . . . . . 5872 1 865 . 1 1 103 103 GLN C C 13 175.01 0.2 . 1 . . . . . . . . 5872 1 866 . 1 1 103 103 GLN CA C 13 57.97 0.2 . 1 . . . . . . . . 5872 1 867 . 1 1 103 103 GLN CB C 13 28.60 0.2 . 1 . . . . . . . . 5872 1 868 . 1 1 103 103 GLN CG C 13 33.88 0.2 . 1 . . . . . . . . 5872 1 869 . 1 1 103 103 GLN NE2 N 15 113.14 0.25 . 1 . . . . . . . . 5872 1 870 . 1 1 103 103 GLN HE21 H 1 7.58 0.02 . 1 . . . . . . . . 5872 1 871 . 1 1 103 103 GLN HE22 H 1 6.95 0.02 . 1 . . . . . . . . 5872 1 872 . 1 1 103 103 GLN HA H 1 3.74 0.02 . 1 . . . . . . . . 5872 1 873 . 1 1 103 103 GLN HB2 H 1 2.01 0.02 . 2 . . . . . . . . 5872 1 874 . 1 1 103 103 GLN HB3 H 1 1.73 0.02 . 2 . . . . . . . . 5872 1 875 . 1 1 104 104 HIS H H 1 7.73 0.02 . 1 . . . . . . . . 5872 1 876 . 1 1 104 104 HIS N N 15 113.13 0.25 . 1 . . . . . . . . 5872 1 877 . 1 1 104 104 HIS C C 13 176.52 0.2 . 1 . . . . . . . . 5872 1 878 . 1 1 104 104 HIS CA C 13 55.64 0.2 . 1 . . . . . . . . 5872 1 879 . 1 1 104 104 HIS CB C 13 28.98 0.2 . 1 . . . . . . . . 5872 1 880 . 1 1 104 104 HIS HA H 1 4.69 0.02 . 1 . . . . . . . . 5872 1 881 . 1 1 104 104 HIS HB2 H 1 3.44 0.02 . 2 . . . . . . . . 5872 1 882 . 1 1 104 104 HIS HB3 H 1 2.69 0.02 . 2 . . . . . . . . 5872 1 883 . 1 1 105 105 ILE H H 1 7.11 0.02 . 1 . . . . . . . . 5872 1 884 . 1 1 105 105 ILE N N 15 120.92 0.25 . 1 . . . . . . . . 5872 1 885 . 1 1 105 105 ILE C C 13 175.44 0.2 . 1 . . . . . . . . 5872 1 886 . 1 1 105 105 ILE CA C 13 64.01 0.2 . 1 . . . . . . . . 5872 1 887 . 1 1 105 105 ILE CB C 13 37.44 0.2 . 1 . . . . . . . . 5872 1 888 . 1 1 105 105 ILE CG1 C 13 27.86 0.2 . 1 . . . . . . . . 5872 1 889 . 1 1 105 105 ILE CD1 C 13 14.87 0.2 . 1 . . . . . . . . 5872 1 890 . 1 1 105 105 ILE HA H 1 3.77 0.02 . 1 . . . . . . . . 5872 1 891 . 1 1 105 105 ILE HB H 1 1.66 0.02 . 1 . . . . . . . . 5872 1 892 . 1 1 106 106 PHE H H 1 8.53 0.02 . 1 . . . . . . . . 5872 1 893 . 1 1 106 106 PHE N N 15 118.58 0.25 . 1 . . . . . . . . 5872 1 894 . 1 1 106 106 PHE C C 13 175.52 0.2 . 1 . . . . . . . . 5872 1 895 . 1 1 106 106 PHE CA C 13 56.98 0.2 . 1 . . . . . . . . 5872 1 896 . 1 1 106 106 PHE CB C 13 39.98 0.2 . 1 . . . . . . . . 5872 1 897 . 1 1 106 106 PHE HA H 1 4.93 0.02 . 1 . . . . . . . . 5872 1 898 . 1 1 106 106 PHE HB2 H 1 3.73 0.02 . 2 . . . . . . . . 5872 1 899 . 1 1 106 106 PHE HB3 H 1 2.89 0.02 . 2 . . . . . . . . 5872 1 900 . 1 1 107 107 ASP H H 1 7.71 0.02 . 1 . . . . . . . . 5872 1 901 . 1 1 107 107 ASP N N 15 121.64 0.25 . 1 . . . . . . . . 5872 1 902 . 1 1 107 107 ASP C C 13 178.71 0.2 . 1 . . . . . . . . 5872 1 903 . 1 1 107 107 ASP CA C 13 58.74 0.2 . 1 . . . . . . . . 5872 1 904 . 1 1 107 107 ASP CB C 13 39.48 0.2 . 1 . . . . . . . . 5872 1 905 . 1 1 107 107 ASP HA H 1 4.21 0.02 . 1 . . . . . . . . 5872 1 906 . 1 1 107 107 ASP HB2 H 1 2.87 0.02 . 2 . . . . . . . . 5872 1 907 . 1 1 107 107 ASP HB3 H 1 2.67 0.02 . 2 . . . . . . . . 5872 1 908 . 1 1 108 108 ASP H H 1 8.55 0.02 . 1 . . . . . . . . 5872 1 909 . 1 1 108 108 ASP N N 15 120.73 0.25 . 1 . . . . . . . . 5872 1 910 . 1 1 108 108 ASP C C 13 179.26 0.2 . 1 . . . . . . . . 5872 1 911 . 1 1 108 108 ASP CA C 13 57.44 0.2 . 1 . . . . . . . . 5872 1 912 . 1 1 108 108 ASP CB C 13 40.06 0.2 . 1 . . . . . . . . 5872 1 913 . 1 1 108 108 ASP HA H 1 4.60 0.02 . 1 . . . . . . . . 5872 1 914 . 1 1 108 108 ASP HB2 H 1 2.70 0.02 . 2 . . . . . . . . 5872 1 915 . 1 1 108 108 ASP HB3 H 1 2.61 0.02 . 2 . . . . . . . . 5872 1 916 . 1 1 109 109 ALA H H 1 8.51 0.02 . 1 . . . . . . . . 5872 1 917 . 1 1 109 109 ALA N N 15 124.34 0.25 . 1 . . . . . . . . 5872 1 918 . 1 1 109 109 ALA C C 13 178.60 0.2 . 1 . . . . . . . . 5872 1 919 . 1 1 109 109 ALA CA C 13 54.98 0.2 . 1 . . . . . . . . 5872 1 920 . 1 1 109 109 ALA CB C 13 19.76 0.2 . 1 . . . . . . . . 5872 1 921 . 1 1 109 109 ALA HA H 1 4.05 0.02 . 1 . . . . . . . . 5872 1 922 . 1 1 109 109 ALA HB1 H 1 1.66 0.02 . 1 . . . . . . . . 5872 1 923 . 1 1 109 109 ALA HB2 H 1 1.66 0.02 . 1 . . . . . . . . 5872 1 924 . 1 1 109 109 ALA HB3 H 1 1.66 0.02 . 1 . . . . . . . . 5872 1 925 . 1 1 110 110 GLN H H 1 9.65 0.02 . 1 . . . . . . . . 5872 1 926 . 1 1 110 110 GLN N N 15 118.79 0.25 . 1 . . . . . . . . 5872 1 927 . 1 1 110 110 GLN C C 13 178.35 0.2 . 1 . . . . . . . . 5872 1 928 . 1 1 110 110 GLN CA C 13 60.15 0.2 . 1 . . . . . . . . 5872 1 929 . 1 1 110 110 GLN CB C 13 27.86 0.2 . 1 . . . . . . . . 5872 1 930 . 1 1 110 110 GLN CG C 13 35.47 0.2 . 1 . . . . . . . . 5872 1 931 . 1 1 110 110 GLN HA H 1 3.86 0.02 . 1 . . . . . . . . 5872 1 932 . 1 1 110 110 GLN HB2 H 1 2.24 0.02 . 2 . . . . . . . . 5872 1 933 . 1 1 110 110 GLN HB3 H 1 1.99 0.02 . 2 . . . . . . . . 5872 1 934 . 1 1 111 111 LEU H H 1 8.06 0.02 . 1 . . . . . . . . 5872 1 935 . 1 1 111 111 LEU N N 15 120.41 0.25 . 1 . . . . . . . . 5872 1 936 . 1 1 111 111 LEU C C 13 180.11 0.2 . 1 . . . . . . . . 5872 1 937 . 1 1 111 111 LEU CA C 13 57.77 0.2 . 1 . . . . . . . . 5872 1 938 . 1 1 111 111 LEU CB C 13 41.54 0.2 . 1 . . . . . . . . 5872 1 939 . 1 1 111 111 LEU CG C 13 27.17 0.2 . 1 . . . . . . . . 5872 1 940 . 1 1 111 111 LEU CD1 C 13 24.91 0.2 . 2 . . . . . . . . 5872 1 941 . 1 1 111 111 LEU CD2 C 13 23.36 0.2 . 2 . . . . . . . . 5872 1 942 . 1 1 111 111 LEU HA H 1 4.40 0.02 . 1 . . . . . . . . 5872 1 943 . 1 1 111 111 LEU HB2 H 1 1.99 0.02 . 1 . . . . . . . . 5872 1 944 . 1 1 111 111 LEU HB3 H 1 1.79 0.02 . 1 . . . . . . . . 5872 1 945 . 1 1 112 112 GLN H H 1 8.30 0.02 . 1 . . . . . . . . 5872 1 946 . 1 1 112 112 GLN N N 15 121.50 0.25 . 1 . . . . . . . . 5872 1 947 . 1 1 112 112 GLN C C 13 179.34 0.2 . 1 . . . . . . . . 5872 1 948 . 1 1 112 112 GLN CA C 13 59.96 0.2 . 1 . . . . . . . . 5872 1 949 . 1 1 112 112 GLN CB C 13 27.93 0.2 . 1 . . . . . . . . 5872 1 950 . 1 1 112 112 GLN CG C 13 34.40 0.2 . 1 . . . . . . . . 5872 1 951 . 1 1 112 112 GLN NE2 N 15 109.96 0.25 . 1 . . . . . . . . 5872 1 952 . 1 1 112 112 GLN HE21 H 1 7.43 0.02 . 1 . . . . . . . . 5872 1 953 . 1 1 112 112 GLN HE22 H 1 6.77 0.02 . 1 . . . . . . . . 5872 1 954 . 1 1 112 112 GLN HA H 1 4.14 0.02 . 1 . . . . . . . . 5872 1 955 . 1 1 112 112 GLN HB2 H 1 2.32 0.02 . 1 . . . . . . . . 5872 1 956 . 1 1 112 112 GLN HB3 H 1 2.32 0.02 . 1 . . . . . . . . 5872 1 957 . 1 1 113 113 ILE H H 1 8.39 0.02 . 1 . . . . . . . . 5872 1 958 . 1 1 113 113 ILE N N 15 121.25 0.25 . 1 . . . . . . . . 5872 1 959 . 1 1 113 113 ILE C C 13 177.77 0.2 . 1 . . . . . . . . 5872 1 960 . 1 1 113 113 ILE CA C 13 61.64 0.2 . 1 . . . . . . . . 5872 1 961 . 1 1 113 113 ILE CB C 13 36.11 0.2 . 1 . . . . . . . . 5872 1 962 . 1 1 113 113 ILE CG1 C 13 28.87 0.2 . 1 . . . . . . . . 5872 1 963 . 1 1 113 113 ILE CG2 C 13 19.50 0.2 . 1 . . . . . . . . 5872 1 964 . 1 1 113 113 ILE HA H 1 4.18 0.02 . 1 . . . . . . . . 5872 1 965 . 1 1 113 113 ILE HB H 1 2.45 0.02 . 1 . . . . . . . . 5872 1 966 . 1 1 114 114 TYR H H 1 9.31 0.02 . 1 . . . . . . . . 5872 1 967 . 1 1 114 114 TYR N N 15 124.78 0.25 . 1 . . . . . . . . 5872 1 968 . 1 1 114 114 TYR C C 13 177.27 0.2 . 1 . . . . . . . . 5872 1 969 . 1 1 114 114 TYR CA C 13 63.27 0.2 . 1 . . . . . . . . 5872 1 970 . 1 1 114 114 TYR CB C 13 39.18 0.2 . 1 . . . . . . . . 5872 1 971 . 1 1 114 114 TYR HA H 1 3.89 0.02 . 1 . . . . . . . . 5872 1 972 . 1 1 114 114 TYR HB2 H 1 3.47 0.02 . 2 . . . . . . . . 5872 1 973 . 1 1 114 114 TYR HB3 H 1 3.32 0.02 . 2 . . . . . . . . 5872 1 974 . 1 1 115 115 THR H H 1 8.62 0.02 . 1 . . . . . . . . 5872 1 975 . 1 1 115 115 THR N N 15 113.97 0.25 . 1 . . . . . . . . 5872 1 976 . 1 1 115 115 THR C C 13 175.85 0.2 . 1 . . . . . . . . 5872 1 977 . 1 1 115 115 THR CA C 13 66.66 0.2 . 1 . . . . . . . . 5872 1 978 . 1 1 115 115 THR CB C 13 68.71 0.2 . 1 . . . . . . . . 5872 1 979 . 1 1 115 115 THR CG2 C 13 21.20 0.2 . 1 . . . . . . . . 5872 1 980 . 1 1 115 115 THR HA H 1 3.94 0.02 . 1 . . . . . . . . 5872 1 981 . 1 1 115 115 THR HB H 1 4.42 0.02 . 1 . . . . . . . . 5872 1 982 . 1 1 116 116 LEU H H 1 7.95 0.02 . 1 . . . . . . . . 5872 1 983 . 1 1 116 116 LEU N N 15 124.19 0.25 . 1 . . . . . . . . 5872 1 984 . 1 1 116 116 LEU C C 13 179.16 0.2 . 1 . . . . . . . . 5872 1 985 . 1 1 116 116 LEU CA C 13 58.66 0.2 . 1 . . . . . . . . 5872 1 986 . 1 1 116 116 LEU CB C 13 42.23 0.2 . 1 . . . . . . . . 5872 1 987 . 1 1 116 116 LEU CG C 13 26.82 0.2 . 1 . . . . . . . . 5872 1 988 . 1 1 116 116 LEU CD1 C 13 24.90 0.2 . 2 . . . . . . . . 5872 1 989 . 1 1 116 116 LEU HA H 1 4.06 0.02 . 1 . . . . . . . . 5872 1 990 . 1 1 116 116 LEU HB2 H 1 1.99 0.02 . 1 . . . . . . . . 5872 1 991 . 1 1 116 116 LEU HB3 H 1 1.81 0.02 . 1 . . . . . . . . 5872 1 992 . 1 1 117 117 MET H H 1 8.54 0.02 . 1 . . . . . . . . 5872 1 993 . 1 1 117 117 MET N N 15 118.33 0.25 . 1 . . . . . . . . 5872 1 994 . 1 1 117 117 MET C C 13 177.65 0.2 . 1 . . . . . . . . 5872 1 995 . 1 1 117 117 MET CA C 13 60.32 0.2 . 1 . . . . . . . . 5872 1 996 . 1 1 117 117 MET CB C 13 34.56 0.2 . 1 . . . . . . . . 5872 1 997 . 1 1 117 117 MET HA H 1 4.09 0.02 . 1 . . . . . . . . 5872 1 998 . 1 1 117 117 MET HB2 H 1 1.93 0.02 . 1 . . . . . . . . 5872 1 999 . 1 1 117 117 MET HB3 H 1 1.93 0.02 . 1 . . . . . . . . 5872 1 1000 . 1 1 118 118 HIS H H 1 8.13 0.02 . 1 . . . . . . . . 5872 1 1001 . 1 1 118 118 HIS N N 15 119.18 0.25 . 1 . . . . . . . . 5872 1 1002 . 1 1 118 118 HIS C C 13 176.32 0.2 . 1 . . . . . . . . 5872 1 1003 . 1 1 118 118 HIS CA C 13 56.54 0.2 . 1 . . . . . . . . 5872 1 1004 . 1 1 118 118 HIS CB C 13 31.17 0.2 . 1 . . . . . . . . 5872 1 1005 . 1 1 118 118 HIS HA H 1 3.05 0.02 . 1 . . . . . . . . 5872 1 1006 . 1 1 118 118 HIS HB2 H 1 2.70 0.02 . 2 . . . . . . . . 5872 1 1007 . 1 1 118 118 HIS HB3 H 1 2.38 0.02 . 2 . . . . . . . . 5872 1 1008 . 1 1 119 119 ARG H H 1 8.22 0.02 . 1 . . . . . . . . 5872 1 1009 . 1 1 119 119 ARG N N 15 115.78 0.25 . 1 . . . . . . . . 5872 1 1010 . 1 1 119 119 ARG C C 13 177.22 0.2 . 1 . . . . . . . . 5872 1 1011 . 1 1 119 119 ARG CA C 13 58.18 0.2 . 1 . . . . . . . . 5872 1 1012 . 1 1 119 119 ARG CB C 13 31.22 0.2 . 1 . . . . . . . . 5872 1 1013 . 1 1 119 119 ARG CG C 13 26.66 0.2 . 1 . . . . . . . . 5872 1 1014 . 1 1 119 119 ARG CD C 13 43.34 0.2 . 1 . . . . . . . . 5872 1 1015 . 1 1 119 119 ARG HA H 1 3.81 0.02 . 1 . . . . . . . . 5872 1 1016 . 1 1 119 119 ARG HB2 H 1 1.78 0.02 . 1 . . . . . . . . 5872 1 1017 . 1 1 119 119 ARG HB3 H 1 1.78 0.02 . 1 . . . . . . . . 5872 1 1018 . 1 1 120 120 ASP H H 1 8.40 0.02 . 1 . . . . . . . . 5872 1 1019 . 1 1 120 120 ASP N N 15 114.99 0.25 . 1 . . . . . . . . 5872 1 1020 . 1 1 120 120 ASP C C 13 177.54 0.2 . 1 . . . . . . . . 5872 1 1021 . 1 1 120 120 ASP CA C 13 55.69 0.2 . 1 . . . . . . . . 5872 1 1022 . 1 1 120 120 ASP CB C 13 42.15 0.2 . 1 . . . . . . . . 5872 1 1023 . 1 1 120 120 ASP HA H 1 4.82 0.02 . 1 . . . . . . . . 5872 1 1024 . 1 1 120 120 ASP HB2 H 1 2.72 0.02 . 1 . . . . . . . . 5872 1 1025 . 1 1 120 120 ASP HB3 H 1 2.72 0.02 . 1 . . . . . . . . 5872 1 1026 . 1 1 121 121 SER H H 1 7.47 0.02 . 1 . . . . . . . . 5872 1 1027 . 1 1 121 121 SER N N 15 113.70 0.25 . 1 . . . . . . . . 5872 1 1028 . 1 1 121 121 SER C C 13 175.53 0.2 . 1 . . . . . . . . 5872 1 1029 . 1 1 121 121 SER CA C 13 61.69 0.2 . 1 . . . . . . . . 5872 1 1030 . 1 1 121 121 SER CB C 13 63.98 0.2 . 1 . . . . . . . . 5872 1 1031 . 1 1 121 121 SER HA H 1 4.69 0.02 . 1 . . . . . . . . 5872 1 1032 . 1 1 121 121 SER HB2 H 1 4.29 0.02 . 2 . . . . . . . . 5872 1 1033 . 1 1 121 121 SER HB3 H 1 4.22 0.02 . 2 . . . . . . . . 5872 1 1034 . 1 1 122 122 TYR H H 1 8.69 0.02 . 1 . . . . . . . . 5872 1 1035 . 1 1 122 122 TYR N N 15 123.17 0.25 . 1 . . . . . . . . 5872 1 1036 . 1 1 122 122 TYR CA C 13 62.22 0.2 . 1 . . . . . . . . 5872 1 1037 . 1 1 122 122 TYR CB C 13 35.42 0.2 . 1 . . . . . . . . 5872 1 1038 . 1 1 123 123 PRO C C 13 179.32 0.2 . 1 . . . . . . . . 5872 1 1039 . 1 1 123 123 PRO CA C 13 65.69 0.2 . 1 . . . . . . . . 5872 1 1040 . 1 1 123 123 PRO CB C 13 30.67 0.2 . 1 . . . . . . . . 5872 1 1041 . 1 1 123 123 PRO CG C 13 28.64 0.2 . 1 . . . . . . . . 5872 1 1042 . 1 1 123 123 PRO HA H 1 3.80 0.02 . 1 . . . . . . . . 5872 1 1043 . 1 1 123 123 PRO HB2 H 1 1.63 0.02 . 2 . . . . . . . . 5872 1 1044 . 1 1 123 123 PRO HB3 H 1 2.16 0.02 . 2 . . . . . . . . 5872 1 1045 . 1 1 124 124 ARG H H 1 6.51 0.02 . 1 . . . . . . . . 5872 1 1046 . 1 1 124 124 ARG N N 15 113.37 0.25 . 1 . . . . . . . . 5872 1 1047 . 1 1 124 124 ARG C C 13 179.98 0.2 . 1 . . . . . . . . 5872 1 1048 . 1 1 124 124 ARG CA C 13 58.70 0.2 . 1 . . . . . . . . 5872 1 1049 . 1 1 124 124 ARG CB C 13 30.76 0.2 . 1 . . . . . . . . 5872 1 1050 . 1 1 124 124 ARG CG C 13 28.56 0.2 . 1 . . . . . . . . 5872 1 1051 . 1 1 124 124 ARG CD C 13 43.31 0.2 . 1 . . . . . . . . 5872 1 1052 . 1 1 124 124 ARG HA H 1 4.07 0.02 . 1 . . . . . . . . 5872 1 1053 . 1 1 124 124 ARG HB2 H 1 2.09 0.02 . 1 . . . . . . . . 5872 1 1054 . 1 1 124 124 ARG HB3 H 1 2.09 0.02 . 1 . . . . . . . . 5872 1 1055 . 1 1 125 125 PHE H H 1 8.37 0.02 . 1 . . . . . . . . 5872 1 1056 . 1 1 125 125 PHE N N 15 123.72 0.25 . 1 . . . . . . . . 5872 1 1057 . 1 1 125 125 PHE C C 13 178.48 0.2 . 1 . . . . . . . . 5872 1 1058 . 1 1 125 125 PHE CA C 13 59.23 0.2 . 1 . . . . . . . . 5872 1 1059 . 1 1 125 125 PHE CB C 13 38.58 0.2 . 1 . . . . . . . . 5872 1 1060 . 1 1 125 125 PHE HA H 1 3.14 0.02 . 1 . . . . . . . . 5872 1 1061 . 1 1 125 125 PHE HB2 H 1 2.87 0.02 . 2 . . . . . . . . 5872 1 1062 . 1 1 125 125 PHE HB3 H 1 2.73 0.02 . 2 . . . . . . . . 5872 1 1063 . 1 1 126 126 MET H H 1 7.52 0.02 . 1 . . . . . . . . 5872 1 1064 . 1 1 126 126 MET N N 15 117.38 0.25 . 1 . . . . . . . . 5872 1 1065 . 1 1 126 126 MET C C 13 175.51 0.2 . 1 . . . . . . . . 5872 1 1066 . 1 1 126 126 MET CA C 13 56.73 0.2 . 1 . . . . . . . . 5872 1 1067 . 1 1 126 126 MET CB C 13 32.07 0.2 . 1 . . . . . . . . 5872 1 1068 . 1 1 126 126 MET CG C 13 32.14 0.2 . 1 . . . . . . . . 5872 1 1069 . 1 1 126 126 MET HA H 1 3.35 0.02 . 1 . . . . . . . . 5872 1 1070 . 1 1 126 126 MET HB2 H 1 1.55 0.02 . 1 . . . . . . . . 5872 1 1071 . 1 1 126 126 MET HB3 H 1 1.55 0.02 . 1 . . . . . . . . 5872 1 1072 . 1 1 127 127 ASN H H 1 6.82 0.02 . 1 . . . . . . . . 5872 1 1073 . 1 1 127 127 ASN N N 15 114.20 0.25 . 1 . . . . . . . . 5872 1 1074 . 1 1 127 127 ASN C C 13 174.45 0.2 . 1 . . . . . . . . 5872 1 1075 . 1 1 127 127 ASN CA C 13 52.13 0.2 . 1 . . . . . . . . 5872 1 1076 . 1 1 127 127 ASN CB C 13 39.99 0.2 . 1 . . . . . . . . 5872 1 1077 . 1 1 127 127 ASN ND2 N 15 112.96 0.25 . 1 . . . . . . . . 5872 1 1078 . 1 1 127 127 ASN HD21 H 1 7.50 0.02 . 1 . . . . . . . . 5872 1 1079 . 1 1 127 127 ASN HD22 H 1 6.82 0.02 . 1 . . . . . . . . 5872 1 1080 . 1 1 127 127 ASN HA H 1 4.81 0.02 . 1 . . . . . . . . 5872 1 1081 . 1 1 127 127 ASN HB2 H 1 2.87 0.02 . 2 . . . . . . . . 5872 1 1082 . 1 1 127 127 ASN HB3 H 1 2.38 0.02 . 2 . . . . . . . . 5872 1 1083 . 1 1 128 128 SER H H 1 7.54 0.02 . 1 . . . . . . . . 5872 1 1084 . 1 1 128 128 SER N N 15 117.08 0.25 . 1 . . . . . . . . 5872 1 1085 . 1 1 128 128 SER C C 13 174.33 0.2 . 1 . . . . . . . . 5872 1 1086 . 1 1 128 128 SER CA C 13 58.36 0.2 . 1 . . . . . . . . 5872 1 1087 . 1 1 128 128 SER CB C 13 66.66 0.2 . 1 . . . . . . . . 5872 1 1088 . 1 1 128 128 SER HA H 1 4.41 0.02 . 1 . . . . . . . . 5872 1 1089 . 1 1 128 128 SER HB2 H 1 4.32 0.02 . 2 . . . . . . . . 5872 1 1090 . 1 1 128 128 SER HB3 H 1 4.04 0.02 . 2 . . . . . . . . 5872 1 1091 . 1 1 129 129 ALA H H 1 8.92 0.02 . 1 . . . . . . . . 5872 1 1092 . 1 1 129 129 ALA N N 15 124.37 0.25 . 1 . . . . . . . . 5872 1 1093 . 1 1 129 129 ALA C C 13 179.10 0.2 . 1 . . . . . . . . 5872 1 1094 . 1 1 129 129 ALA CA C 13 54.75 0.2 . 1 . . . . . . . . 5872 1 1095 . 1 1 129 129 ALA CB C 13 18.13 0.2 . 1 . . . . . . . . 5872 1 1096 . 1 1 129 129 ALA HA H 1 4.07 0.02 . 1 . . . . . . . . 5872 1 1097 . 1 1 129 129 ALA HB1 H 1 1.46 0.02 . 1 . . . . . . . . 5872 1 1098 . 1 1 129 129 ALA HB2 H 1 1.46 0.02 . 1 . . . . . . . . 5872 1 1099 . 1 1 129 129 ALA HB3 H 1 1.46 0.02 . 1 . . . . . . . . 5872 1 1100 . 1 1 130 130 VAL H H 1 7.52 0.02 . 1 . . . . . . . . 5872 1 1101 . 1 1 130 130 VAL N N 15 114.46 0.25 . 1 . . . . . . . . 5872 1 1102 . 1 1 130 130 VAL C C 13 178.21 0.2 . 1 . . . . . . . . 5872 1 1103 . 1 1 130 130 VAL CA C 13 65.89 0.2 . 1 . . . . . . . . 5872 1 1104 . 1 1 130 130 VAL CB C 13 32.10 0.2 . 1 . . . . . . . . 5872 1 1105 . 1 1 130 130 VAL CG1 C 13 22.10 0.2 . 2 . . . . . . . . 5872 1 1106 . 1 1 130 130 VAL CG2 C 13 21.21 0.2 . 2 . . . . . . . . 5872 1 1107 . 1 1 130 130 VAL HA H 1 3.78 0.02 . 1 . . . . . . . . 5872 1 1108 . 1 1 130 130 VAL HB H 1 2.16 0.02 . 1 . . . . . . . . 5872 1 1109 . 1 1 131 131 TYR H H 1 7.32 0.02 . 1 . . . . . . . . 5872 1 1110 . 1 1 131 131 TYR N N 15 119.32 0.25 . 1 . . . . . . . . 5872 1 1111 . 1 1 131 131 TYR C C 13 176.45 0.2 . 1 . . . . . . . . 5872 1 1112 . 1 1 131 131 TYR CA C 13 61.39 0.2 . 1 . . . . . . . . 5872 1 1113 . 1 1 131 131 TYR CB C 13 38.96 0.2 . 1 . . . . . . . . 5872 1 1114 . 1 1 131 131 TYR HA H 1 3.93 0.02 . 1 . . . . . . . . 5872 1 1115 . 1 1 131 131 TYR HB2 H 1 2.41 0.02 . 2 . . . . . . . . 5872 1 1116 . 1 1 131 131 TYR HB3 H 1 1.75 0.02 . 2 . . . . . . . . 5872 1 1117 . 1 1 132 132 LYS H H 1 8.24 0.02 . 1 . . . . . . . . 5872 1 1118 . 1 1 132 132 LYS N N 15 117.22 0.25 . 1 . . . . . . . . 5872 1 1119 . 1 1 132 132 LYS C C 13 179.74 0.2 . 1 . . . . . . . . 5872 1 1120 . 1 1 132 132 LYS CA C 13 60.00 0.2 . 1 . . . . . . . . 5872 1 1121 . 1 1 132 132 LYS CB C 13 32.05 0.2 . 1 . . . . . . . . 5872 1 1122 . 1 1 132 132 LYS CG C 13 25.75 0.2 . 1 . . . . . . . . 5872 1 1123 . 1 1 132 132 LYS CD C 13 28.97 0.2 . 1 . . . . . . . . 5872 1 1124 . 1 1 132 132 LYS CE C 13 41.93 0.2 . 1 . . . . . . . . 5872 1 1125 . 1 1 132 132 LYS HA H 1 3.51 0.02 . 1 . . . . . . . . 5872 1 1126 . 1 1 132 132 LYS HB2 H 1 1.76 0.02 . 2 . . . . . . . . 5872 1 1127 . 1 1 132 132 LYS HB3 H 1 1.70 0.02 . 2 . . . . . . . . 5872 1 1128 . 1 1 133 133 ASP H H 1 9.08 0.02 . 1 . . . . . . . . 5872 1 1129 . 1 1 133 133 ASP N N 15 119.65 0.25 . 1 . . . . . . . . 5872 1 1130 . 1 1 133 133 ASP C C 13 179.33 0.2 . 1 . . . . . . . . 5872 1 1131 . 1 1 133 133 ASP CA C 13 57.01 0.2 . 1 . . . . . . . . 5872 1 1132 . 1 1 133 133 ASP CB C 13 39.63 0.2 . 1 . . . . . . . . 5872 1 1133 . 1 1 133 133 ASP HA H 1 4.30 0.02 . 1 . . . . . . . . 5872 1 1134 . 1 1 133 133 ASP HB2 H 1 2.78 0.02 . 2 . . . . . . . . 5872 1 1135 . 1 1 133 133 ASP HB3 H 1 2.51 0.02 . 2 . . . . . . . . 5872 1 1136 . 1 1 134 134 LEU H H 1 7.18 0.02 . 1 . . . . . . . . 5872 1 1137 . 1 1 134 134 LEU N N 15 123.55 0.25 . 1 . . . . . . . . 5872 1 1138 . 1 1 134 134 LEU C C 13 178.74 0.2 . 1 . . . . . . . . 5872 1 1139 . 1 1 134 134 LEU CA C 13 57.84 0.2 . 1 . . . . . . . . 5872 1 1140 . 1 1 134 134 LEU CB C 13 41.86 0.2 . 1 . . . . . . . . 5872 1 1141 . 1 1 134 134 LEU CG C 13 27.19 0.2 . 1 . . . . . . . . 5872 1 1142 . 1 1 134 134 LEU CD1 C 13 25.78 0.2 . 2 . . . . . . . . 5872 1 1143 . 1 1 134 134 LEU CD2 C 13 23.71 0.2 . 2 . . . . . . . . 5872 1 1144 . 1 1 134 134 LEU HA H 1 4.06 0.02 . 1 . . . . . . . . 5872 1 1145 . 1 1 134 134 LEU HB2 H 1 1.77 0.02 . 2 . . . . . . . . 5872 1 1146 . 1 1 134 134 LEU HB3 H 1 1.63 0.02 . 2 . . . . . . . . 5872 1 1147 . 1 1 135 135 LEU H H 1 7.88 0.02 . 1 . . . . . . . . 5872 1 1148 . 1 1 135 135 LEU N N 15 119.07 0.25 . 1 . . . . . . . . 5872 1 1149 . 1 1 135 135 LEU C C 13 179.78 0.2 . 1 . . . . . . . . 5872 1 1150 . 1 1 135 135 LEU CA C 13 57.97 0.2 . 1 . . . . . . . . 5872 1 1151 . 1 1 135 135 LEU CB C 13 41.67 0.2 . 1 . . . . . . . . 5872 1 1152 . 1 1 135 135 LEU CG C 13 26.43 0.2 . 1 . . . . . . . . 5872 1 1153 . 1 1 135 135 LEU CD1 C 13 24.34 0.2 . 2 . . . . . . . . 5872 1 1154 . 1 1 135 135 LEU HA H 1 3.52 0.02 . 1 . . . . . . . . 5872 1 1155 . 1 1 135 135 LEU HB2 H 1 1.31 0.02 . 2 . . . . . . . . 5872 1 1156 . 1 1 135 135 LEU HB3 H 1 1.04 0.02 . 2 . . . . . . . . 5872 1 1157 . 1 1 136 136 GLN H H 1 8.20 0.02 . 1 . . . . . . . . 5872 1 1158 . 1 1 136 136 GLN N N 15 118.62 0.25 . 1 . . . . . . . . 5872 1 1159 . 1 1 136 136 GLN C C 13 178.51 0.2 . 1 . . . . . . . . 5872 1 1160 . 1 1 136 136 GLN CA C 13 58.73 0.2 . 1 . . . . . . . . 5872 1 1161 . 1 1 136 136 GLN CB C 13 28.16 0.2 . 1 . . . . . . . . 5872 1 1162 . 1 1 136 136 GLN CG C 13 33.39 0.2 . 1 . . . . . . . . 5872 1 1163 . 1 1 136 136 GLN NE2 N 15 111.67 0.25 . 1 . . . . . . . . 5872 1 1164 . 1 1 136 136 GLN HE21 H 1 7.57 0.02 . 1 . . . . . . . . 5872 1 1165 . 1 1 136 136 GLN HE22 H 1 6.77 0.02 . 1 . . . . . . . . 5872 1 1166 . 1 1 136 136 GLN HA H 1 3.87 0.02 . 1 . . . . . . . . 5872 1 1167 . 1 1 136 136 GLN HB2 H 1 2.10 0.02 . 2 . . . . . . . . 5872 1 1168 . 1 1 136 136 GLN HB3 H 1 2.03 0.02 . 2 . . . . . . . . 5872 1 1169 . 1 1 137 137 SER H H 1 8.10 0.02 . 1 . . . . . . . . 5872 1 1170 . 1 1 137 137 SER N N 15 115.23 0.25 . 1 . . . . . . . . 5872 1 1171 . 1 1 137 137 SER C C 13 176.64 0.2 . 1 . . . . . . . . 5872 1 1172 . 1 1 137 137 SER CA C 13 61.07 0.2 . 1 . . . . . . . . 5872 1 1173 . 1 1 137 137 SER CB C 13 62.65 0.2 . 1 . . . . . . . . 5872 1 1174 . 1 1 137 137 SER HA H 1 4.16 0.02 . 1 . . . . . . . . 5872 1 1175 . 1 1 137 137 SER HB2 H 1 3.95 0.02 . 1 . . . . . . . . 5872 1 1176 . 1 1 137 137 SER HB3 H 1 3.95 0.02 . 1 . . . . . . . . 5872 1 1177 . 1 1 138 138 LEU H H 1 7.74 0.02 . 1 . . . . . . . . 5872 1 1178 . 1 1 138 138 LEU N N 15 120.67 0.25 . 1 . . . . . . . . 5872 1 1179 . 1 1 138 138 LEU C C 13 178.49 0.2 . 1 . . . . . . . . 5872 1 1180 . 1 1 138 138 LEU CA C 13 56.09 0.2 . 1 . . . . . . . . 5872 1 1181 . 1 1 138 138 LEU CB C 13 43.12 0.2 . 1 . . . . . . . . 5872 1 1182 . 1 1 138 138 LEU CG C 13 26.29 0.2 . 1 . . . . . . . . 5872 1 1183 . 1 1 138 138 LEU CD1 C 13 22.38 0.2 . 2 . . . . . . . . 5872 1 1184 . 1 1 138 138 LEU HA H 1 4.20 0.02 . 1 . . . . . . . . 5872 1 1185 . 1 1 138 138 LEU HB2 H 1 1.62 0.02 . 2 . . . . . . . . 5872 1 1186 . 1 1 138 138 LEU HB3 H 1 1.26 0.02 . 2 . . . . . . . . 5872 1 1187 . 1 1 139 139 SER H H 1 7.92 0.02 . 1 . . . . . . . . 5872 1 1188 . 1 1 139 139 SER N N 15 115.64 0.25 . 1 . . . . . . . . 5872 1 1189 . 1 1 139 139 SER C C 13 175.27 0.2 . 1 . . . . . . . . 5872 1 1190 . 1 1 139 139 SER CA C 13 60.18 0.2 . 1 . . . . . . . . 5872 1 1191 . 1 1 139 139 SER CB C 13 63.26 0.2 . 1 . . . . . . . . 5872 1 1192 . 1 1 139 139 SER HA H 1 4.23 0.02 . 1 . . . . . . . . 5872 1 1193 . 1 1 139 139 SER HB2 H 1 3.90 0.02 . 2 . . . . . . . . 5872 1 1194 . 1 1 139 139 SER HB3 H 1 3.82 0.02 . 2 . . . . . . . . 5872 1 1195 . 1 1 140 140 GLU H H 1 8.06 0.02 . 1 . . . . . . . . 5872 1 1196 . 1 1 140 140 GLU N N 15 121.80 0.25 . 1 . . . . . . . . 5872 1 1197 . 1 1 140 140 GLU C C 13 177.25 0.2 . 1 . . . . . . . . 5872 1 1198 . 1 1 140 140 GLU CA C 13 57.51 0.2 . 1 . . . . . . . . 5872 1 1199 . 1 1 140 140 GLU CB C 13 29.79 0.2 . 1 . . . . . . . . 5872 1 1200 . 1 1 140 140 GLU CG C 13 36.17 0.2 . 1 . . . . . . . . 5872 1 1201 . 1 1 140 140 GLU HA H 1 4.12 0.02 . 1 . . . . . . . . 5872 1 1202 . 1 1 140 140 GLU HB2 H 1 1.98 0.02 . 1 . . . . . . . . 5872 1 1203 . 1 1 140 140 GLU HB3 H 1 1.98 0.02 . 1 . . . . . . . . 5872 1 1204 . 1 1 141 141 LYS H H 1 7.94 0.02 . 1 . . . . . . . . 5872 1 1205 . 1 1 141 141 LYS N N 15 120.11 0.25 . 1 . . . . . . . . 5872 1 1206 . 1 1 141 141 LYS C C 13 177.10 0.2 . 1 . . . . . . . . 5872 1 1207 . 1 1 141 141 LYS CA C 13 56.75 0.2 . 1 . . . . . . . . 5872 1 1208 . 1 1 141 141 LYS CB C 13 32.77 0.2 . 1 . . . . . . . . 5872 1 1209 . 1 1 141 141 LYS CG C 13 24.70 0.2 . 1 . . . . . . . . 5872 1 1210 . 1 1 141 141 LYS CD C 13 28.87 0.2 . 1 . . . . . . . . 5872 1 1211 . 1 1 141 141 LYS CE C 13 42.03 0.2 . 1 . . . . . . . . 5872 1 1212 . 1 1 141 141 LYS HA H 1 4.22 0.02 . 1 . . . . . . . . 5872 1 1213 . 1 1 141 141 LYS HB2 H 1 1.81 0.02 . 2 . . . . . . . . 5872 1 1214 . 1 1 141 141 LYS HB3 H 1 1.74 0.02 . 2 . . . . . . . . 5872 1 1215 . 1 1 142 142 SER H H 1 8.04 0.02 . 1 . . . . . . . . 5872 1 1216 . 1 1 142 142 SER N N 15 116.19 0.25 . 1 . . . . . . . . 5872 1 1217 . 1 1 142 142 SER C C 13 175.04 0.2 . 1 . . . . . . . . 5872 1 1218 . 1 1 142 142 SER CA C 13 58.74 0.2 . 1 . . . . . . . . 5872 1 1219 . 1 1 142 142 SER CB C 13 63.47 0.2 . 1 . . . . . . . . 5872 1 1220 . 1 1 142 142 SER HA H 1 4.36 0.02 . 1 . . . . . . . . 5872 1 1221 . 1 1 142 142 SER HB2 H 1 3.83 0.02 . 1 . . . . . . . . 5872 1 1222 . 1 1 142 142 SER HB3 H 1 3.83 0.02 . 1 . . . . . . . . 5872 1 1223 . 1 1 143 143 ILE H H 1 8.01 0.02 . 1 . . . . . . . . 5872 1 1224 . 1 1 143 143 ILE N N 15 122.01 0.25 . 1 . . . . . . . . 5872 1 1225 . 1 1 143 143 ILE C C 13 176.66 0.2 . 1 . . . . . . . . 5872 1 1226 . 1 1 143 143 ILE CA C 13 61.69 0.2 . 1 . . . . . . . . 5872 1 1227 . 1 1 143 143 ILE CB C 13 38.51 0.2 . 1 . . . . . . . . 5872 1 1228 . 1 1 143 143 ILE CG1 C 13 27.28 0.2 . 1 . . . . . . . . 5872 1 1229 . 1 1 143 143 ILE CG2 C 13 17.38 0.2 . 1 . . . . . . . . 5872 1 1230 . 1 1 143 143 ILE CD1 C 13 12.93 0.2 . 1 . . . . . . . . 5872 1 1231 . 1 1 143 143 ILE HA H 1 4.04 0.02 . 1 . . . . . . . . 5872 1 1232 . 1 1 143 143 ILE HB H 1 1.82 0.02 . 1 . . . . . . . . 5872 1 1233 . 1 1 144 144 GLU H H 1 8.24 0.02 . 1 . . . . . . . . 5872 1 1234 . 1 1 144 144 GLU N N 15 123.64 0.25 . 1 . . . . . . . . 5872 1 1235 . 1 1 144 144 GLU C C 13 176.42 0.2 . 1 . . . . . . . . 5872 1 1236 . 1 1 144 144 GLU CA C 13 56.76 0.2 . 1 . . . . . . . . 5872 1 1237 . 1 1 144 144 GLU CB C 13 29.90 0.2 . 1 . . . . . . . . 5872 1 1238 . 1 1 144 144 GLU CG C 13 36.06 0.2 . 1 . . . . . . . . 5872 1 1239 . 1 1 144 144 GLU HA H 1 4.11 0.02 . 1 . . . . . . . . 5872 1 1240 . 1 1 144 144 GLU HB2 H 1 1.92 0.02 . 2 . . . . . . . . 5872 1 1241 . 1 1 144 144 GLU HB3 H 1 1.84 0.02 . 2 . . . . . . . . 5872 1 1242 . 1 1 145 145 ALA H H 1 8.10 0.02 . 1 . . . . . . . . 5872 1 1243 . 1 1 145 145 ALA N N 15 124.04 0.25 . 1 . . . . . . . . 5872 1 1244 . 1 1 145 145 ALA C C 13 177.62 0.2 . 1 . . . . . . . . 5872 1 1245 . 1 1 145 145 ALA CA C 13 52.64 0.2 . 1 . . . . . . . . 5872 1 1246 . 1 1 145 145 ALA CB C 13 19.01 0.2 . 1 . . . . . . . . 5872 1 1247 . 1 1 145 145 ALA HA H 1 4.12 0.02 . 1 . . . . . . . . 5872 1 1248 . 1 1 145 145 ALA HB1 H 1 1.22 0.02 . 1 . . . . . . . . 5872 1 1249 . 1 1 145 145 ALA HB2 H 1 1.22 0.02 . 1 . . . . . . . . 5872 1 1250 . 1 1 145 145 ALA HB3 H 1 1.22 0.02 . 1 . . . . . . . . 5872 1 1251 . 1 1 146 146 HIS H H 1 8.12 0.02 . 1 . . . . . . . . 5872 1 1252 . 1 1 146 146 HIS N N 15 117.39 0.25 . 1 . . . . . . . . 5872 1 1253 . 1 1 146 146 HIS C C 13 173.97 0.2 . 1 . . . . . . . . 5872 1 1254 . 1 1 146 146 HIS CA C 13 55.79 0.2 . 1 . . . . . . . . 5872 1 1255 . 1 1 146 146 HIS CB C 13 29.98 0.2 . 1 . . . . . . . . 5872 1 1256 . 1 1 146 146 HIS HA H 1 4.53 0.02 . 1 . . . . . . . . 5872 1 1257 . 1 1 146 146 HIS HB2 H 1 3.05 0.02 . 1 . . . . . . . . 5872 1 1258 . 1 1 146 146 HIS HB3 H 1 3.05 0.02 . 1 . . . . . . . . 5872 1 1259 . 1 1 147 147 HIS H H 1 8.12 0.02 . 1 . . . . . . . . 5872 1 1260 . 1 1 147 147 HIS N N 15 125.43 0.25 . 1 . . . . . . . . 5872 1 1261 . 1 1 147 147 HIS CA C 13 57.18 0.2 . 1 . . . . . . . . 5872 1 1262 . 1 1 147 147 HIS CB C 13 30.66 0.2 . 1 . . . . . . . . 5872 1 stop_ save_