data_15809 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15809 _Entry.Title ; myristoylated yeast ARF1, GDP bound ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-06-18 _Entry.Accession_date 2008-06-18 _Entry.Last_release_date 2009-03-12 _Entry.Original_release_date 2009-03-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 James Prestegard . . . 15809 2 Yizhou Liu . . . 15809 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15809 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 525 15809 '15N chemical shifts' 163 15809 '1H chemical shifts' 529 15809 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 . . 2009-03-12 2008-06-18 original author . 15809 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15809 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19141284 _Citation.Full_citation . _Citation.Title 'Structure and Membrane Interaction of Myristoylated ARF1' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 17 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 79 _Citation.Page_last 87 _Citation.Year 2009 _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 Yizhou Liu . . . 15809 1 2 Richard Kahn . A. . 15809 1 3 James Prestegard . H. . 15809 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15809 _Assembly.ID 1 _Assembly.Name 'myr-yARF1.GDP, monomer' _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 myr-yARF1.GDP 1 $myr-yARF1.GDP A . yes native no no . . . 15809 1 2 GDP 2 $GDP B . no native no no . . . 15809 1 3 MYR 3 $MYR C . yes native no no . . . 15809 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_myr-yARF1.GDP _Entity.Sf_category entity _Entity.Sf_framecode myr-yARF1.GDP _Entity.Entry_ID 15809 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name myr-yARF1.GDP _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 ; GLFASKLFSNLFGNKEMRIL MVGLDGAGKTTVLYKLKLGE VITTIPTIGFNVETVQYKNI SFTVWDVGGQDRIRSLWRHY YRNTEGVIFVVDSNDRSRIG EAREVMQRMLNEDELRNAAW LVFANKQDLPEAMSAAEITE KLGLHSIRNRPWFIQATCAT SGEGLYEGLEWLSNSLKNST LVRP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 184 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15626 . yeast_ARF1 . . . . . 98.37 188 100.00 100.00 7.26e-129 . . . . 15809 1 2 no PDB 2K5U . "Solution Structure Of Myirstoylated Yeast Arf1 Protein, Gdp- Bound" . . . . . 97.83 181 100.00 100.00 3.00e-128 . . . . 15809 1 3 no PDB 2KSQ . "The Myristoylated Yeast Arf1 In A Gtp And Bicelle Bound Conformation" . . . . . 97.83 181 97.22 97.22 8.90e-124 . . . . 15809 1 4 no PDB 3TJZ . "Crystal Structure Of Arf1 Bound To The GammaZETA-Cop Core Complex" . . . . . 89.13 164 100.00 100.00 5.56e-116 . . . . 15809 1 5 no PDB 4Q66 . "Structure Of Exomer Bound To Arf1" . . . . . 91.85 175 97.04 97.04 9.59e-115 . . . . 15809 1 6 no PDB 5A1U . "The Structure Of The Copi Coat Triad" . . . . . 97.83 181 100.00 100.00 2.93e-128 . . . . 15809 1 7 no PDB 5A1V . "The Structure Of The Copi Coat Linkage I" . . . . . 97.83 181 100.00 100.00 2.93e-128 . . . . 15809 1 8 no PDB 5A1W . "The Structure Of The Copi Coat Linkage Ii" . . . . . 97.83 181 100.00 100.00 2.93e-128 . . . . 15809 1 9 no PDB 5A1X . "The Structure Of The Copi Coat Linkage Iii" . . . . . 97.83 181 100.00 100.00 2.93e-128 . . . . 15809 1 10 no PDB 5A1Y . "The Structure Of The Copi Coat Linkage Iv" . . . . . 97.83 181 100.00 100.00 2.93e-128 . . . . 15809 1 11 no DBJ GAA22060 . "K7_Arf1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 97.83 181 100.00 100.00 2.93e-128 . . . . 15809 1 12 no EMBL CAA58255 . "ADP-ribosylationfactor 2 [Saccharomyces cerevisiae]" . . . . . 97.83 181 100.00 100.00 2.93e-128 . . . . 15809 1 13 no EMBL CAA98769 . "ARF1 [Saccharomyces cerevisiae]" . . . . . 97.83 181 100.00 100.00 2.93e-128 . . . . 15809 1 14 no EMBL CAG60356 . "unnamed protein product [Candida glabrata]" . . . . . 96.74 181 97.75 98.88 3.51e-124 . . . . 15809 1 15 no EMBL CAY78316 . "Arf1p [Saccharomyces cerevisiae EC1118]" . . . . . 97.83 181 100.00 100.00 2.93e-128 . . . . 15809 1 16 no EMBL CCC67945 . "hypothetical protein NCAS_0A13870 [Naumovozyma castellii CBS 4309]" . . . . . 97.83 181 97.22 98.89 3.17e-125 . . . . 15809 1 17 no GB AAA34431 . "ADP-ribosylation factor [Saccharomyces cerevisiae]" . . . . . 97.83 181 100.00 100.00 2.93e-128 . . . . 15809 1 18 no GB AHY74824 . "Arf1p [Saccharomyces cerevisiae YJM993]" . . . . . 97.83 181 100.00 100.00 2.93e-128 . . . . 15809 1 19 no GB AJP37565 . "Arf1p [Saccharomyces cerevisiae YJM1078]" . . . . . 97.83 181 100.00 100.00 2.93e-128 . . . . 15809 1 20 no GB AJU57677 . "Arf1p [Saccharomyces cerevisiae YJM189]" . . . . . 97.83 181 100.00 100.00 2.93e-128 . . . . 15809 1 21 no GB AJU58380 . "Arf1p [Saccharomyces cerevisiae YJM193]" . . . . . 97.83 181 100.00 100.00 2.93e-128 . . . . 15809 1 22 no REF NP_010089 . "Arf family GTPase ARF1 [Saccharomyces cerevisiae S288c]" . . . . . 97.83 181 100.00 100.00 2.93e-128 . . . . 15809 1 23 no REF XP_001646910 . "hypothetical protein Kpol_2000p16 [Vanderwaltozyma polyspora DSM 70294]" . . . . . 97.83 181 97.22 98.89 1.98e-125 . . . . 15809 1 24 no REF XP_003667691 . "hypothetical protein NDAI_0A02910 [Naumovozyma dairenensis CBS 421]" . . . . . 97.83 181 97.22 98.89 3.04e-125 . . . . 15809 1 25 no REF XP_003674325 . "hypothetical protein NCAS_0A13870 [Naumovozyma castellii CBS 4309]" . . . . . 97.83 181 97.22 98.89 3.17e-125 . . . . 15809 1 26 no REF XP_003676799 . "hypothetical protein NCAS_0E03720 [Naumovozyma castellii CBS 4309]" . . . . . 97.83 181 97.78 98.89 1.06e-125 . . . . 15809 1 27 no SP P11076 . "RecName: Full=ADP-ribosylation factor 1" . . . . . 97.83 181 100.00 100.00 2.93e-128 . . . . 15809 1 28 no TPG DAA11671 . "TPA: Arf family GTPase ARF1 [Saccharomyces cerevisiae S288c]" . . . . . 97.83 181 100.00 100.00 2.93e-128 . . . . 15809 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 GLY . 15809 1 2 3 LEU . 15809 1 3 4 PHE . 15809 1 4 5 ALA . 15809 1 5 6 SER . 15809 1 6 7 LYS . 15809 1 7 8 LEU . 15809 1 8 9 PHE . 15809 1 9 10 SER . 15809 1 10 11 ASN . 15809 1 11 12 LEU . 15809 1 12 13 PHE . 15809 1 13 14 GLY . 15809 1 14 15 ASN . 15809 1 15 16 LYS . 15809 1 16 17 GLU . 15809 1 17 18 MET . 15809 1 18 19 ARG . 15809 1 19 20 ILE . 15809 1 20 21 LEU . 15809 1 21 22 MET . 15809 1 22 23 VAL . 15809 1 23 24 GLY . 15809 1 24 25 LEU . 15809 1 25 26 ASP . 15809 1 26 27 GLY . 15809 1 27 28 ALA . 15809 1 28 29 GLY . 15809 1 29 30 LYS . 15809 1 30 31 THR . 15809 1 31 32 THR . 15809 1 32 33 VAL . 15809 1 33 34 LEU . 15809 1 34 35 TYR . 15809 1 35 36 LYS . 15809 1 36 37 LEU . 15809 1 37 38 LYS . 15809 1 38 39 LEU . 15809 1 39 40 GLY . 15809 1 40 41 GLU . 15809 1 41 42 VAL . 15809 1 42 43 ILE . 15809 1 43 44 THR . 15809 1 44 45 THR . 15809 1 45 46 ILE . 15809 1 46 47 PRO . 15809 1 47 48 THR . 15809 1 48 49 ILE . 15809 1 49 50 GLY . 15809 1 50 51 PHE . 15809 1 51 52 ASN . 15809 1 52 53 VAL . 15809 1 53 54 GLU . 15809 1 54 55 THR . 15809 1 55 56 VAL . 15809 1 56 57 GLN . 15809 1 57 58 TYR . 15809 1 58 59 LYS . 15809 1 59 60 ASN . 15809 1 60 61 ILE . 15809 1 61 62 SER . 15809 1 62 63 PHE . 15809 1 63 64 THR . 15809 1 64 65 VAL . 15809 1 65 66 TRP . 15809 1 66 67 ASP . 15809 1 67 68 VAL . 15809 1 68 69 GLY . 15809 1 69 70 GLY . 15809 1 70 71 GLN . 15809 1 71 72 ASP . 15809 1 72 73 ARG . 15809 1 73 74 ILE . 15809 1 74 75 ARG . 15809 1 75 76 SER . 15809 1 76 77 LEU . 15809 1 77 78 TRP . 15809 1 78 79 ARG . 15809 1 79 80 HIS . 15809 1 80 81 TYR . 15809 1 81 82 TYR . 15809 1 82 83 ARG . 15809 1 83 84 ASN . 15809 1 84 85 THR . 15809 1 85 86 GLU . 15809 1 86 87 GLY . 15809 1 87 88 VAL . 15809 1 88 89 ILE . 15809 1 89 90 PHE . 15809 1 90 91 VAL . 15809 1 91 92 VAL . 15809 1 92 93 ASP . 15809 1 93 94 SER . 15809 1 94 95 ASN . 15809 1 95 96 ASP . 15809 1 96 97 ARG . 15809 1 97 98 SER . 15809 1 98 99 ARG . 15809 1 99 100 ILE . 15809 1 100 101 GLY . 15809 1 101 102 GLU . 15809 1 102 103 ALA . 15809 1 103 104 ARG . 15809 1 104 105 GLU . 15809 1 105 106 VAL . 15809 1 106 107 MET . 15809 1 107 108 GLN . 15809 1 108 109 ARG . 15809 1 109 110 MET . 15809 1 110 111 LEU . 15809 1 111 112 ASN . 15809 1 112 113 GLU . 15809 1 113 114 ASP . 15809 1 114 115 GLU . 15809 1 115 116 LEU . 15809 1 116 117 ARG . 15809 1 117 118 ASN . 15809 1 118 119 ALA . 15809 1 119 120 ALA . 15809 1 120 121 TRP . 15809 1 121 122 LEU . 15809 1 122 123 VAL . 15809 1 123 124 PHE . 15809 1 124 125 ALA . 15809 1 125 126 ASN . 15809 1 126 127 LYS . 15809 1 127 128 GLN . 15809 1 128 129 ASP . 15809 1 129 130 LEU . 15809 1 130 131 PRO . 15809 1 131 132 GLU . 15809 1 132 133 ALA . 15809 1 133 134 MET . 15809 1 134 135 SER . 15809 1 135 136 ALA . 15809 1 136 137 ALA . 15809 1 137 138 GLU . 15809 1 138 139 ILE . 15809 1 139 140 THR . 15809 1 140 141 GLU . 15809 1 141 142 LYS . 15809 1 142 143 LEU . 15809 1 143 144 GLY . 15809 1 144 145 LEU . 15809 1 145 146 HIS . 15809 1 146 147 SER . 15809 1 147 148 ILE . 15809 1 148 149 ARG . 15809 1 149 150 ASN . 15809 1 150 151 ARG . 15809 1 151 152 PRO . 15809 1 152 153 TRP . 15809 1 153 154 PHE . 15809 1 154 155 ILE . 15809 1 155 156 GLN . 15809 1 156 157 ALA . 15809 1 157 158 THR . 15809 1 158 159 CYS . 15809 1 159 160 ALA . 15809 1 160 161 THR . 15809 1 161 162 SER . 15809 1 162 163 GLY . 15809 1 163 164 GLU . 15809 1 164 165 GLY . 15809 1 165 166 LEU . 15809 1 166 167 TYR . 15809 1 167 168 GLU . 15809 1 168 169 GLY . 15809 1 169 170 LEU . 15809 1 170 171 GLU . 15809 1 171 172 TRP . 15809 1 172 173 LEU . 15809 1 173 174 SER . 15809 1 174 175 ASN . 15809 1 175 176 SER . 15809 1 176 177 LEU . 15809 1 177 178 LYS . 15809 1 178 179 ASN . 15809 1 179 180 SER . 15809 1 180 181 THR . 15809 1 181 182 LEU . 15809 1 182 183 VAL . 15809 1 183 184 ARG . 15809 1 184 185 PRO . 15809 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 . GLY 1 1 15809 1 . LEU 2 2 15809 1 . PHE 3 3 15809 1 . ALA 4 4 15809 1 . SER 5 5 15809 1 . LYS 6 6 15809 1 . LEU 7 7 15809 1 . PHE 8 8 15809 1 . SER 9 9 15809 1 . ASN 10 10 15809 1 . LEU 11 11 15809 1 . PHE 12 12 15809 1 . GLY 13 13 15809 1 . ASN 14 14 15809 1 . LYS 15 15 15809 1 . GLU 16 16 15809 1 . MET 17 17 15809 1 . ARG 18 18 15809 1 . ILE 19 19 15809 1 . LEU 20 20 15809 1 . MET 21 21 15809 1 . VAL 22 22 15809 1 . GLY 23 23 15809 1 . LEU 24 24 15809 1 . ASP 25 25 15809 1 . GLY 26 26 15809 1 . ALA 27 27 15809 1 . GLY 28 28 15809 1 . LYS 29 29 15809 1 . THR 30 30 15809 1 . THR 31 31 15809 1 . VAL 32 32 15809 1 . LEU 33 33 15809 1 . TYR 34 34 15809 1 . LYS 35 35 15809 1 . LEU 36 36 15809 1 . LYS 37 37 15809 1 . LEU 38 38 15809 1 . GLY 39 39 15809 1 . GLU 40 40 15809 1 . VAL 41 41 15809 1 . ILE 42 42 15809 1 . THR 43 43 15809 1 . THR 44 44 15809 1 . ILE 45 45 15809 1 . PRO 46 46 15809 1 . THR 47 47 15809 1 . ILE 48 48 15809 1 . GLY 49 49 15809 1 . PHE 50 50 15809 1 . ASN 51 51 15809 1 . VAL 52 52 15809 1 . GLU 53 53 15809 1 . THR 54 54 15809 1 . VAL 55 55 15809 1 . GLN 56 56 15809 1 . TYR 57 57 15809 1 . LYS 58 58 15809 1 . ASN 59 59 15809 1 . ILE 60 60 15809 1 . SER 61 61 15809 1 . PHE 62 62 15809 1 . THR 63 63 15809 1 . VAL 64 64 15809 1 . TRP 65 65 15809 1 . ASP 66 66 15809 1 . VAL 67 67 15809 1 . GLY 68 68 15809 1 . GLY 69 69 15809 1 . GLN 70 70 15809 1 . ASP 71 71 15809 1 . ARG 72 72 15809 1 . ILE 73 73 15809 1 . ARG 74 74 15809 1 . SER 75 75 15809 1 . LEU 76 76 15809 1 . TRP 77 77 15809 1 . ARG 78 78 15809 1 . HIS 79 79 15809 1 . TYR 80 80 15809 1 . TYR 81 81 15809 1 . ARG 82 82 15809 1 . ASN 83 83 15809 1 . THR 84 84 15809 1 . GLU 85 85 15809 1 . GLY 86 86 15809 1 . VAL 87 87 15809 1 . ILE 88 88 15809 1 . PHE 89 89 15809 1 . VAL 90 90 15809 1 . VAL 91 91 15809 1 . ASP 92 92 15809 1 . SER 93 93 15809 1 . ASN 94 94 15809 1 . ASP 95 95 15809 1 . ARG 96 96 15809 1 . SER 97 97 15809 1 . ARG 98 98 15809 1 . ILE 99 99 15809 1 . GLY 100 100 15809 1 . GLU 101 101 15809 1 . ALA 102 102 15809 1 . ARG 103 103 15809 1 . GLU 104 104 15809 1 . VAL 105 105 15809 1 . MET 106 106 15809 1 . GLN 107 107 15809 1 . ARG 108 108 15809 1 . MET 109 109 15809 1 . LEU 110 110 15809 1 . ASN 111 111 15809 1 . GLU 112 112 15809 1 . ASP 113 113 15809 1 . GLU 114 114 15809 1 . LEU 115 115 15809 1 . ARG 116 116 15809 1 . ASN 117 117 15809 1 . ALA 118 118 15809 1 . ALA 119 119 15809 1 . TRP 120 120 15809 1 . LEU 121 121 15809 1 . VAL 122 122 15809 1 . PHE 123 123 15809 1 . ALA 124 124 15809 1 . ASN 125 125 15809 1 . LYS 126 126 15809 1 . GLN 127 127 15809 1 . ASP 128 128 15809 1 . LEU 129 129 15809 1 . PRO 130 130 15809 1 . GLU 131 131 15809 1 . ALA 132 132 15809 1 . MET 133 133 15809 1 . SER 134 134 15809 1 . ALA 135 135 15809 1 . ALA 136 136 15809 1 . GLU 137 137 15809 1 . ILE 138 138 15809 1 . THR 139 139 15809 1 . GLU 140 140 15809 1 . LYS 141 141 15809 1 . LEU 142 142 15809 1 . GLY 143 143 15809 1 . LEU 144 144 15809 1 . HIS 145 145 15809 1 . SER 146 146 15809 1 . ILE 147 147 15809 1 . ARG 148 148 15809 1 . ASN 149 149 15809 1 . ARG 150 150 15809 1 . PRO 151 151 15809 1 . TRP 152 152 15809 1 . PHE 153 153 15809 1 . ILE 154 154 15809 1 . GLN 155 155 15809 1 . ALA 156 156 15809 1 . THR 157 157 15809 1 . CYS 158 158 15809 1 . ALA 159 159 15809 1 . THR 160 160 15809 1 . SER 161 161 15809 1 . GLY 162 162 15809 1 . GLU 163 163 15809 1 . GLY 164 164 15809 1 . LEU 165 165 15809 1 . TYR 166 166 15809 1 . GLU 167 167 15809 1 . GLY 168 168 15809 1 . LEU 169 169 15809 1 . GLU 170 170 15809 1 . TRP 171 171 15809 1 . LEU 172 172 15809 1 . SER 173 173 15809 1 . ASN 174 174 15809 1 . SER 175 175 15809 1 . LEU 176 176 15809 1 . LYS 177 177 15809 1 . ASN 178 178 15809 1 . SER 179 179 15809 1 . THR 180 180 15809 1 . LEU 181 181 15809 1 . VAL 182 182 15809 1 . ARG 183 183 15809 1 . PRO 184 184 15809 1 stop_ save_ save_GDP _Entity.Sf_category entity _Entity.Sf_framecode GDP _Entity.Entry_ID 15809 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name GDP _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID GDP _Entity.Nonpolymer_comp_label $chem_comp_GDP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GDP . 15809 2 stop_ save_ save_MYR _Entity.Sf_category entity _Entity.Sf_framecode MYR _Entity.Entry_ID 15809 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name MYR _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID MYR _Entity.Nonpolymer_comp_label $chem_comp_MYR _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MYR . 15809 3 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15809 _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 $myr-yARF1.GDP . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 15809 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 15809 _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 $myr-yARF1.GDP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET20(b) . . . . . . 15809 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_GDP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_GDP _Chem_comp.Entry_ID 15809 _Chem_comp.ID GDP _Chem_comp.Provenance . _Chem_comp.Name GUANOSINE-5'-DIPHOSPHATE _Chem_comp.Type 'RNA LINKING' _Chem_comp.BMRB_code . _Chem_comp.PDB_code GDP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code G _Chem_comp.Three_letter_code GDP _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID G _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H15 N5 O11 P2' _Chem_comp.Formula_weight 443.201 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1EK0 _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 21 12:58:25 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N SMILES 'OpenEye OEToolkits' 1.5.0 15809 GDP c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15809 GDP InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 InChI InChI 1.03 15809 GDP NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 15809 GDP NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 15809 GDP O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O SMILES ACDLabs 10.04 15809 GDP QGWNDRXFNXRZMB-UUOKFMHZSA-N InChIKey InChI 1.03 15809 GDP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15809 GDP 'guanosine 5'-(trihydrogen diphosphate)' 'SYSTEMATIC NAME' ACDLabs 10.04 15809 GDP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID PB . PB . . P . . N 0 . . . . no no . . . . 13.635 . 17.027 . 28.402 . -1.117 -0.328 5.957 1 . 15809 GDP O1B . O1B . . O . . N 0 . . . . no no . . . . 14.317 . 18.299 . 28.131 . -1.702 1.023 5.810 2 . 15809 GDP O2B . O2B . . O . . N 0 . . . . no no . . . . 14.465 . 15.868 . 28.851 . -2.120 -1.258 6.805 3 . 15809 GDP O3B . O3B . . O . . N 0 . . . . no no . . . . 12.657 . 17.014 . 29.609 . 0.294 -0.221 6.725 4 . 15809 GDP O3A . O3A . . O . . N 0 . . . . no no . . . . 13.031 . 16.438 . 26.904 . -0.887 -0.974 4.500 5 . 15809 GDP PA . PA . . P . . S 0 . . . . no no . . . . 12.164 . 17.382 . 25.843 . 0.120 0.001 3.711 6 . 15809 GDP O1A . O1A . . O . . N 0 . . . . no no . . . . 11.308 . 16.310 . 25.239 . -0.484 1.348 3.599 7 . 15809 GDP O2A . O2A . . O . . N 0 . . . . no no . . . . 11.654 . 18.737 . 26.082 . 1.510 0.102 4.517 8 . 15809 GDP O5' . O5' . . O . . N 0 . . . . no no . . . . 13.417 . 17.470 . 24.852 . 0.394 -0.587 2.238 9 . 15809 GDP C5' . C5' . . C . . N 0 . . . . no no . . . . 14.543 . 18.324 . 25.037 . 1.291 0.319 1.591 10 . 15809 GDP C4' . C4' . . C . . R 0 . . . . no no . . . . 15.043 . 18.710 . 23.648 . 1.595 -0.185 0.179 11 . 15809 GDP O4' . O4' . . O . . N 0 . . . . no no . . . . 15.183 . 17.536 . 22.793 . 0.383 -0.244 -0.604 12 . 15809 GDP C3' . C3' . . C . . S 0 . . . . no no . . . . 13.926 . 19.400 . 22.829 . 2.500 0.818 -0.568 13 . 15809 GDP O3' . O3' . . O . . N 0 . . . . no no . . . . 14.002 . 20.787 . 23.226 . 3.865 0.398 -0.512 14 . 15809 GDP C2' . C2' . . C . . R 0 . . . . no no . . . . 14.511 . 19.303 . 21.406 . 1.981 0.780 -2.024 15 . 15809 GDP O2' . O2' . . O . . N 0 . . . . no no . . . . 15.627 . 20.165 . 21.220 . 3.010 0.339 -2.912 16 . 15809 GDP C1' . C1' . . C . . R 0 . . . . no no . . . . 15.015 . 17.874 . 21.438 . 0.820 -0.238 -1.981 17 . 15809 GDP N9 . N9 . . N . . N 0 . . . . yes no . . . . 13.968 . 16.928 . 20.922 . -0.269 0.191 -2.860 18 . 15809 GDP C8 . C8 . . C . . N 0 . . . . yes no . . . . 13.129 . 16.056 . 21.555 . -1.309 1.006 -2.517 19 . 15809 GDP N7 . N7 . . N . . N 0 . . . . yes no . . . . 12.358 . 15.405 . 20.737 . -2.090 1.179 -3.543 20 . 15809 GDP C5 . C5 . . C . . N 0 . . . . yes no . . . . 12.701 . 15.869 . 19.474 . -1.600 0.488 -4.601 21 . 15809 GDP C6 . C6 . . C . . N 0 . . . . no no . . . . 12.214 . 15.545 . 18.183 . -2.019 0.310 -5.941 22 . 15809 GDP O6 . O6 . . O . . N 0 . . . . no no . . . . 11.326 . 14.728 . 17.882 . -3.032 0.847 -6.355 23 . 15809 GDP N1 . N1 . . N . . N 0 . . . . no no . . . . 12.870 . 16.282 . 17.187 . -1.266 -0.465 -6.751 24 . 15809 GDP C2 . C2 . . C . . N 0 . . . . no no . . . . 13.858 . 17.205 . 17.402 . -0.138 -1.065 -6.276 25 . 15809 GDP N2 . N2 . . N . . N 0 . . . . no no . . . . 14.348 . 17.795 . 16.316 . 0.603 -1.852 -7.120 26 . 15809 GDP N3 . N3 . . N . . N 0 . . . . no no . . . . 14.329 . 17.524 . 18.614 . 0.261 -0.908 -5.034 27 . 15809 GDP C4 . C4 . . C . . N 0 . . . . yes no . . . . 13.701 . 16.819 . 19.565 . -0.430 -0.150 -4.175 28 . 15809 GDP HOB2 . HOB2 . . H . . N 0 . . . . no no . . . . 14.023 . 15.045 . 29.026 . -2.230 -0.837 7.668 29 . 15809 GDP HOB3 . HOB3 . . H . . N 0 . . . . no no . . . . 12.215 . 16.191 . 29.784 . 0.640 -1.121 6.799 30 . 15809 GDP HOA2 . HOA2 . . H . . N 0 . . . . no no . . . . 11.159 . 19.276 . 25.476 . 1.869 -0.793 4.567 31 . 15809 GDP H5' . H5' . . H . . N 0 . . . . no no . . . . 14.323 . 19.205 . 25.683 . 2.217 0.382 2.162 32 . 15809 GDP H5'' . H5'' . . H . . N 0 . . . . no no . . . . 15.335 . 17.871 . 25.677 . 0.831 1.305 1.534 33 . 15809 GDP H4' . H4' . . H . . N 0 . . . . no no . . . . 15.966 . 19.302 . 23.846 . 2.068 -1.166 0.221 34 . 15809 GDP H3' . H3' . . H . . N 0 . . . . no no . . . . 12.892 . 18.995 . 22.935 . 2.392 1.817 -0.148 35 . 15809 GDP HO3' . HO3' . . H . . N 0 . . . . no yes . . . . 13.316 . 21.210 . 22.723 . 4.381 1.059 -0.993 36 . 15809 GDP H2' . H2' . . H . . N 0 . . . . no no . . . . 13.784 . 19.572 . 20.604 . 1.614 1.762 -2.324 37 . 15809 GDP HO2' . HO2' . . H . . N 0 . . . . no no . . . . 15.987 . 20.105 . 20.343 . 3.728 0.983 -2.849 38 . 15809 GDP H1' . H1' . . H . . N 0 . . . . no no . . . . 15.944 . 17.799 . 20.826 . 1.173 -1.227 -2.271 39 . 15809 GDP H8 . H8 . . H . . N 0 . . . . no no . . . . 13.078 . 15.890 . 22.644 . -1.460 1.442 -1.541 40 . 15809 GDP HN1 . HN1 . . H . . N 0 . . . . no no . . . . 12.603 . 16.132 . 16.213 . -1.533 -0.602 -7.674 41 . 15809 GDP HN21 . HN21 . . H . . N 0 . . . . no no . . . . 15.084 . 18.482 . 16.476 . 1.410 -2.283 -6.798 42 . 15809 GDP HN22 . HN22 . . H . . N 0 . . . . no no . . . . 13.590 . 18.216 . 15.778 . 0.319 -1.981 -8.039 43 . 15809 GDP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PB O1B no N 1 . 15809 GDP 2 . SING PB O2B no N 2 . 15809 GDP 3 . SING PB O3B no N 3 . 15809 GDP 4 . SING PB O3A no N 4 . 15809 GDP 5 . SING O2B HOB2 no N 5 . 15809 GDP 6 . SING O3B HOB3 no N 6 . 15809 GDP 7 . SING O3A PA no N 7 . 15809 GDP 8 . DOUB PA O1A no N 8 . 15809 GDP 9 . SING PA O2A no N 9 . 15809 GDP 10 . SING PA O5' no N 10 . 15809 GDP 11 . SING O2A HOA2 no N 11 . 15809 GDP 12 . SING O5' C5' no N 12 . 15809 GDP 13 . SING C5' C4' no N 13 . 15809 GDP 14 . SING C5' H5' no N 14 . 15809 GDP 15 . SING C5' H5'' no N 15 . 15809 GDP 16 . SING C4' O4' no N 16 . 15809 GDP 17 . SING C4' C3' no N 17 . 15809 GDP 18 . SING C4' H4' no N 18 . 15809 GDP 19 . SING O4' C1' no N 19 . 15809 GDP 20 . SING C3' O3' no N 20 . 15809 GDP 21 . SING C3' C2' no N 21 . 15809 GDP 22 . SING C3' H3' no N 22 . 15809 GDP 23 . SING O3' HO3' no N 23 . 15809 GDP 24 . SING C2' O2' no N 24 . 15809 GDP 25 . SING C2' C1' no N 25 . 15809 GDP 26 . SING C2' H2' no N 26 . 15809 GDP 27 . SING O2' HO2' no N 27 . 15809 GDP 28 . SING C1' N9 no N 28 . 15809 GDP 29 . SING C1' H1' no N 29 . 15809 GDP 30 . SING N9 C8 yes N 30 . 15809 GDP 31 . SING N9 C4 yes N 31 . 15809 GDP 32 . DOUB C8 N7 yes N 32 . 15809 GDP 33 . SING C8 H8 no N 33 . 15809 GDP 34 . SING N7 C5 yes N 34 . 15809 GDP 35 . SING C5 C6 no N 35 . 15809 GDP 36 . DOUB C5 C4 yes N 36 . 15809 GDP 37 . DOUB C6 O6 no N 37 . 15809 GDP 38 . SING C6 N1 no N 38 . 15809 GDP 39 . SING N1 C2 no N 39 . 15809 GDP 40 . SING N1 HN1 no N 40 . 15809 GDP 41 . SING C2 N2 no N 41 . 15809 GDP 42 . DOUB C2 N3 no N 42 . 15809 GDP 43 . SING N2 HN21 no N 43 . 15809 GDP 44 . SING N2 HN22 no N 44 . 15809 GDP 45 . SING N3 C4 no N 45 . 15809 GDP stop_ save_ save_chem_comp_MYR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MYR _Chem_comp.Entry_ID 15809 _Chem_comp.ID MYR _Chem_comp.Provenance . _Chem_comp.Name 'MYRISTIC ACID' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code MYR _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-07 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MYR _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C14 H28 O2' _Chem_comp.Formula_weight 228.371 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1ICM _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 30 15:39:57 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CCCCCCCCCCCCCC(=O)O SMILES 'OpenEye OEToolkits' 1.5.0 15809 MYR CCCCCCCCCCCCCC(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15809 MYR CCCCCCCCCCCCCC(O)=O SMILES CACTVS 3.341 15809 MYR CCCCCCCCCCCCCC(O)=O SMILES_CANONICAL CACTVS 3.341 15809 MYR InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16) InChI InChI 1.03 15809 MYR O=C(O)CCCCCCCCCCCCC SMILES ACDLabs 10.04 15809 MYR TUNFSRHWOTWDNC-UHFFFAOYSA-N InChIKey InChI 1.03 15809 MYR stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 'tetradecanoic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 15809 MYR 'tetradecanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15809 MYR stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 . C1 . . C . . N 0 . . . . no no . . . . 6.748 . -0.653 . 3.744 . 0.121 0.000 -6.963 1 . 15809 MYR O1 . O1 . . O . . N 0 . . . . no no . . . . 6.160 . -1.704 . 3.756 . 1.327 0.000 -6.888 2 . 15809 MYR O2 . O2 . . O . . N 0 . . . . no yes . . . . 6.245 . 0.389 . 4.316 . -0.476 0.000 -8.164 3 . 15809 MYR C2 . C2 . . C . . N 0 . . . . no no . . . . 8.095 . -0.440 . 3.061 . -0.711 0.000 -5.706 4 . 15809 MYR C3 . C3 . . C . . N 0 . . . . no no . . . . 9.236 . -1.264 . 3.627 . 0.209 0.000 -4.484 5 . 15809 MYR C4 . C4 . . C . . N 0 . . . . no no . . . . 9.578 . -0.958 . 5.081 . -0.636 0.000 -3.209 6 . 15809 MYR C5 . C5 . . C . . N 0 . . . . no no . . . . 10.773 . -1.735 . 5.635 . 0.284 0.000 -1.987 7 . 15809 MYR C6 . C6 . . C . . N 0 . . . . no no . . . . 11.280 . -1.093 . 6.928 . -0.560 0.000 -0.712 8 . 15809 MYR C7 . C7 . . C . . N 0 . . . . no no . . . . 12.782 . -1.170 . 7.157 . 0.359 0.000 0.509 9 . 15809 MYR C8 . C8 . . C . . N 0 . . . . no no . . . . 13.305 . 0.171 . 7.667 . -0.485 0.000 1.785 10 . 15809 MYR C9 . C9 . . C . . N 0 . . . . no no . . . . 14.245 . 0.011 . 8.840 . 0.434 0.000 3.007 11 . 15809 MYR C10 . C10 . . C . . N 0 . . . . no no . . . . 14.363 . 1.259 . 9.699 . -0.410 0.000 4.282 12 . 15809 MYR C11 . C11 . . C . . N 0 . . . . no no . . . . 15.566 . 2.088 . 9.297 . 0.510 0.000 5.504 13 . 15809 MYR C12 . C12 . . C . . N 0 . . . . no no . . . . 15.613 . 3.507 . 9.835 . -0.335 0.000 6.779 14 . 15809 MYR C13 . C13 . . C . . N 0 . . . . no no . . . . 16.815 . 4.232 . 9.253 . 0.585 0.000 8.001 15 . 15809 MYR C14 . C14 . . C . . N 0 . . . . no no . . . . 17.118 . 5.584 . 9.876 . -0.259 0.000 9.277 16 . 15809 MYR HO2 . HO2 . . H . . N 0 . . . . no no . . . . 6.708 . 1.218 . 4.306 . 0.057 0.000 -8.970 17 . 15809 MYR H21 . H21 . . H . . N 0 . . . . no no . . . . 8.002 . -0.612 . 1.963 . -1.340 -0.890 -5.688 18 . 15809 MYR H22 . H22 . . H . . N 0 . . . . no no . . . . 8.362 . 0.642 . 3.065 . -1.340 0.890 -5.688 19 . 15809 MYR H31 . H31 . . H . . N 0 . . . . no no . . . . 9.029 . -2.352 . 3.497 . 0.838 0.890 -4.503 20 . 15809 MYR H32 . H32 . . H . . N 0 . . . . no no . . . . 10.142 . -1.163 . 2.985 . 0.838 -0.890 -4.503 21 . 15809 MYR H41 . H41 . . H . . N 0 . . . . no no . . . . 9.731 . 0.137 . 5.219 . -1.265 -0.890 -3.190 22 . 15809 MYR H42 . H42 . . H . . N 0 . . . . no no . . . . 8.683 . -1.111 . 5.728 . -1.265 0.890 -3.190 23 . 15809 MYR H51 . H51 . . H . . N 0 . . . . no no . . . . 10.535 . -2.815 . 5.774 . 0.913 0.890 -2.006 24 . 15809 MYR H52 . H52 . . H . . N 0 . . . . no no . . . . 11.585 . -1.839 . 4.878 . 0.913 -0.890 -2.006 25 . 15809 MYR H61 . H61 . . H . . N 0 . . . . no no . . . . 10.940 . -0.032 . 6.985 . -1.189 -0.890 -0.693 26 . 15809 MYR H62 . H62 . . H . . N 0 . . . . no no . . . . 10.739 . -1.522 . 7.803 . -1.189 0.890 -0.693 27 . 15809 MYR H71 . H71 . . H . . N 0 . . . . no no . . . . 13.057 . -2.010 . 7.835 . 0.988 0.890 0.490 28 . 15809 MYR H72 . H72 . . H . . N 0 . . . . no no . . . . 13.326 . -1.510 . 6.245 . 0.988 -0.890 0.490 29 . 15809 MYR H81 . H81 . . H . . N 0 . . . . no no . . . . 13.781 . 0.756 . 6.846 . -1.114 -0.890 1.804 30 . 15809 MYR H82 . H82 . . H . . N 0 . . . . no no . . . . 12.466 . 0.862 . 7.914 . -1.114 0.890 1.804 31 . 15809 MYR H91 . H91 . . H . . N 0 . . . . no no . . . . 13.954 . -0.868 . 9.460 . 1.063 0.890 2.988 32 . 15809 MYR H92 . H92 . . H . . N 0 . . . . no no . . . . 15.250 . -0.327 . 8.496 . 1.063 -0.890 2.988 33 . 15809 MYR H101 . H101 . . H . . N 0 . . . . no no . . . . 13.424 . 1.861 . 9.678 . -1.039 -0.890 4.301 34 . 15809 MYR H102 . H102 . . H . . N 0 . . . . no no . . . . 14.381 . 1.008 . 10.785 . -1.039 0.890 4.301 35 . 15809 MYR H111 . H111 . . H . . N 0 . . . . no no . . . . 16.503 . 1.549 . 9.571 . 1.139 0.890 5.485 36 . 15809 MYR H112 . H112 . . H . . N 0 . . . . no no . . . . 15.659 . 2.102 . 8.186 . 1.139 -0.890 5.485 37 . 15809 MYR H121 . H121 . . H . . N 0 . . . . no no . . . . 14.660 . 4.057 . 9.653 . -0.964 -0.890 6.798 38 . 15809 MYR H122 . H122 . . H . . N 0 . . . . no no . . . . 15.603 . 3.535 . 10.949 . -0.964 0.890 6.798 39 . 15809 MYR H131 . H131 . . H . . N 0 . . . . no no . . . . 17.716 . 3.577 . 9.298 . 1.214 0.890 7.982 40 . 15809 MYR H132 . H132 . . H . . N 0 . . . . no no . . . . 16.703 . 4.334 . 8.148 . 1.214 -0.890 7.982 41 . 15809 MYR H141 . H141 . . H . . N 0 . . . . no no . . . . 18.000 . 6.116 . 9.449 . 0.395 0.000 10.147 42 . 15809 MYR H142 . H142 . . H . . N 0 . . . . no no . . . . 16.216 . 6.238 . 9.830 . -0.889 0.890 9.296 43 . 15809 MYR H143 . H143 . . H . . N 0 . . . . no no . . . . 17.229 . 5.481 . 10.980 . -0.889 -0.890 9.296 44 . 15809 MYR stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C1 O1 no N 1 . 15809 MYR 2 . SING C1 O2 no N 2 . 15809 MYR 3 . SING C1 C2 no N 3 . 15809 MYR 4 . SING O2 HO2 no N 4 . 15809 MYR 5 . SING C2 C3 no N 5 . 15809 MYR 6 . SING C2 H21 no N 6 . 15809 MYR 7 . SING C2 H22 no N 7 . 15809 MYR 8 . SING C3 C4 no N 8 . 15809 MYR 9 . SING C3 H31 no N 9 . 15809 MYR 10 . SING C3 H32 no N 10 . 15809 MYR 11 . SING C4 C5 no N 11 . 15809 MYR 12 . SING C4 H41 no N 12 . 15809 MYR 13 . SING C4 H42 no N 13 . 15809 MYR 14 . SING C5 C6 no N 14 . 15809 MYR 15 . SING C5 H51 no N 15 . 15809 MYR 16 . SING C5 H52 no N 16 . 15809 MYR 17 . SING C6 C7 no N 17 . 15809 MYR 18 . SING C6 H61 no N 18 . 15809 MYR 19 . SING C6 H62 no N 19 . 15809 MYR 20 . SING C7 C8 no N 20 . 15809 MYR 21 . SING C7 H71 no N 21 . 15809 MYR 22 . SING C7 H72 no N 22 . 15809 MYR 23 . SING C8 C9 no N 23 . 15809 MYR 24 . SING C8 H81 no N 24 . 15809 MYR 25 . SING C8 H82 no N 25 . 15809 MYR 26 . SING C9 C10 no N 26 . 15809 MYR 27 . SING C9 H91 no N 27 . 15809 MYR 28 . SING C9 H92 no N 28 . 15809 MYR 29 . SING C10 C11 no N 29 . 15809 MYR 30 . SING C10 H101 no N 30 . 15809 MYR 31 . SING C10 H102 no N 31 . 15809 MYR 32 . SING C11 C12 no N 32 . 15809 MYR 33 . SING C11 H111 no N 33 . 15809 MYR 34 . SING C11 H112 no N 34 . 15809 MYR 35 . SING C12 C13 no N 35 . 15809 MYR 36 . SING C12 H121 no N 36 . 15809 MYR 37 . SING C12 H122 no N 37 . 15809 MYR 38 . SING C13 C14 no N 38 . 15809 MYR 39 . SING C13 H131 no N 39 . 15809 MYR 40 . SING C13 H132 no N 40 . 15809 MYR 41 . SING C14 H141 no N 41 . 15809 MYR 42 . SING C14 H142 no N 42 . 15809 MYR 43 . SING C14 H143 no N 43 . 15809 MYR stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15809 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 myr-yARF1.GDP '[U-13C; U-15N; Methyl-1H;U-2H;]' . . 1 $myr-yARF1.GDP . . 0.8 . . mM . . . . 15809 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15809 1 3 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 15809 1 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15809 _Sample.ID 2 _Sample.Type gel _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 myr-yARF1.GDP '[U-13C; U-15N; U-2H]' . . 1 $myr-yARF1.GDP . . 0.5 . . mM . . . . 15809 2 2 KH2PO4-K2HPO4 . . . . . . . 50 . . mM . . . . 15809 2 3 NaCl . . . . . . . 50 . . mM . . . . 15809 2 4 K2SO4 . . . . . . . 10 . . mM . . . . 15809 2 5 MgCl2 . . . . . . . 2 . . mM . . . . 15809 2 6 DTT . . . . . . . 2 . . mM . . . . 15809 2 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15809 2 8 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 15809 2 stop_ save_ save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15809 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 myr-yARF1.GDP '[U-13C; U-15N; U-2H]' . . 1 $myr-yARF1.GDP . . 0.7 . . mM . . . . 15809 3 2 KH2PO4-K2HPO4 . . . . . . . 50 . . mM . . . . 15809 3 3 NaCl . . . . . . . 50 . . mM . . . . 15809 3 4 K2SO4 . . . . . . . 10 . . mM . . . . 15809 3 5 MgCl2 . . . . . . . 2 . . mM . . . . 15809 3 6 DTT . . . . . . . 2 . . mM . . . . 15809 3 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15809 3 8 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 15809 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15809 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 15809 1 pH 7 . pH 15809 1 pressure 1 . atm 15809 1 temperature 298 . K 15809 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 15809 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15809 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15809 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15809 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Zhengrong and Bax' . . 15809 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15809 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15809 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15809 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15809 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15809 _Software.ID 4 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15809 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15809 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15809 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15809 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15809 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15809 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 15809 1 2 spectrometer_2 Varian INOVA . 800 . . . 15809 1 3 spectrometer_3 Varian INOVA . 900 . . . 15809 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 15809 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15809 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15809 1 3 '3D HNHA' no . . . . . . . . . . 3 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15809 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15809 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15809 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15809 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15809 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15809 1 9 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15809 1 10 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15809 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15809 1 12 '3D 13C-filtered-13C-edited NOESY' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15809 1 13 '3D CCmHm-TOCSY' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15809 1 14 HSQC-TROSY no . . . . . . . . . . 2 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15809 1 15 HNCO-JNH no . . . . . . . . . . 2 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15809 1 16 HNCO-JNCO no . . . . . . . . . . 2 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15809 1 17 HSQC-TROSY no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15809 1 18 HNCO-JNH no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15809 1 19 HNCO-JNCO no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15809 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15809 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 15809 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 15809 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15809 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15809 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15809 1 2 '3D 1H-15N NOESY' . . . 15809 1 3 '3D HNHA' . . . 15809 1 4 '3D CBCA(CO)NH' . . . 15809 1 7 '3D HNCA' . . . 15809 1 8 '3D HNCACB' . . . 15809 1 9 '3D HN(CO)CA' . . . 15809 1 10 '3D HN(COCA)CB' . . . 15809 1 11 '3D 1H-13C NOESY' . . . 15809 1 13 '3D CCmHm-TOCSY' . . . 15809 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY H H 1 8.034 0.000 . 1 . . . . 2 G HN . 15809 1 2 . 1 1 1 1 GLY CA C 13 46.534 0.000 . 1 . . . . 2 G CA . 15809 1 3 . 1 1 1 1 GLY N N 15 112.684 0.000 . 1 . . . . 2 G N . 15809 1 4 . 1 1 10 10 ASN C C 13 175.556 0.000 . 1 . . . . 11 N C . 15809 1 5 . 1 1 10 10 ASN CA C 13 54.067 0.000 . 1 . . . . 11 N CA . 15809 1 6 . 1 1 10 10 ASN CB C 13 37.818 0.000 . 1 . . . . 11 N CB . 15809 1 7 . 1 1 11 11 LEU H H 1 7.849 0.001 . 1 . . . . 12 L HN . 15809 1 8 . 1 1 11 11 LEU HD11 H 1 0.784 0.003 . 1 . . . . 12 L QD1 . 15809 1 9 . 1 1 11 11 LEU HD12 H 1 0.784 0.003 . 1 . . . . 12 L QD1 . 15809 1 10 . 1 1 11 11 LEU HD13 H 1 0.784 0.003 . 1 . . . . 12 L QD1 . 15809 1 11 . 1 1 11 11 LEU HD21 H 1 0.659 0.003 . 1 . . . . 12 L QD2 . 15809 1 12 . 1 1 11 11 LEU HD22 H 1 0.659 0.003 . 1 . . . . 12 L QD2 . 15809 1 13 . 1 1 11 11 LEU HD23 H 1 0.659 0.003 . 1 . . . . 12 L QD2 . 15809 1 14 . 1 1 11 11 LEU CA C 13 55.222 0.024 . 1 . . . . 12 L CA . 15809 1 15 . 1 1 11 11 LEU CB C 13 41.709 0.097 . 1 . . . . 12 L CB . 15809 1 16 . 1 1 11 11 LEU CD1 C 13 25.489 0.016 . 2 . . . . 12 L CD1 . 15809 1 17 . 1 1 11 11 LEU CD2 C 13 23.261 0.005 . 2 . . . . 12 L CD2 . 15809 1 18 . 1 1 11 11 LEU N N 15 118.848 0.000 . 1 . . . . 12 L N . 15809 1 19 . 1 1 12 12 PHE C C 13 176.199 0.017 . 1 . . . . 13 F C . 15809 1 20 . 1 1 12 12 PHE CA C 13 57.037 0.000 . 1 . . . . 13 F CA . 15809 1 21 . 1 1 12 12 PHE CB C 13 38.498 0.000 . 1 . . . . 13 F CB . 15809 1 22 . 1 1 13 13 GLY H H 1 8.008 0.000 . 1 . . . . 14 G HN . 15809 1 23 . 1 1 13 13 GLY CA C 13 46.443 0.000 . 1 . . . . 14 G CA . 15809 1 24 . 1 1 13 13 GLY N N 15 108.148 0.000 . 1 . . . . 14 G N . 15809 1 25 . 1 1 14 14 ASN C C 13 175.497 0.161 . 1 . . . . 15 N C . 15809 1 26 . 1 1 14 14 ASN CA C 13 53.051 0.000 . 1 . . . . 15 N CA . 15809 1 27 . 1 1 14 14 ASN CB C 13 38.730 0.042 . 1 . . . . 15 N CB . 15809 1 28 . 1 1 15 15 LYS H H 1 7.911 0.018 . 1 . . . . 16 K HN . 15809 1 29 . 1 1 15 15 LYS HA H 1 4.302 0.000 . 1 . . . . 16 K HA . 15809 1 30 . 1 1 15 15 LYS C C 13 175.680 0.070 . 1 . . . . 16 K C . 15809 1 31 . 1 1 15 15 LYS CA C 13 55.736 0.090 . 1 . . . . 16 K CA . 15809 1 32 . 1 1 15 15 LYS CB C 13 32.704 0.064 . 1 . . . . 16 K CB . 15809 1 33 . 1 1 15 15 LYS N N 15 120.799 0.023 . 1 . . . . 16 K N . 15809 1 34 . 1 1 16 16 GLU H H 1 8.562 0.021 . 1 . . . . 17 E HN . 15809 1 35 . 1 1 16 16 GLU C C 13 176.003 0.016 . 1 . . . . 17 E C . 15809 1 36 . 1 1 16 16 GLU CA C 13 56.773 0.000 . 1 . . . . 17 E CA . 15809 1 37 . 1 1 16 16 GLU CB C 13 29.455 0.000 . 1 . . . . 17 E CB . 15809 1 38 . 1 1 16 16 GLU N N 15 124.653 0.000 . 1 . . . . 17 E N . 15809 1 39 . 1 1 17 17 MET H H 1 8.506 0.001 . 1 . . . . 18 M HN . 15809 1 40 . 1 1 17 17 MET CA C 13 54.329 0.030 . 1 . . . . 18 M CA . 15809 1 41 . 1 1 17 17 MET N N 15 123.447 0.012 . 1 . . . . 18 M N . 15809 1 42 . 1 1 18 18 ARG H H 1 8.891 0.017 . 1 . . . . 19 R HN . 15809 1 43 . 1 1 18 18 ARG C C 13 174.825 0.025 . 1 . . . . 19 R C . 15809 1 44 . 1 1 18 18 ARG CA C 13 55.474 0.097 . 1 . . . . 19 R CA . 15809 1 45 . 1 1 18 18 ARG N N 15 124.059 0.054 . 1 . . . . 19 R N . 15809 1 46 . 1 1 19 19 ILE H H 1 8.558 0.002 . 1 . . . . 20 I HN . 15809 1 47 . 1 1 19 19 ILE HD11 H 1 0.333 0.004 . 1 . . . . 20 I QD1 . 15809 1 48 . 1 1 19 19 ILE HD12 H 1 0.333 0.004 . 1 . . . . 20 I QD1 . 15809 1 49 . 1 1 19 19 ILE HD13 H 1 0.333 0.004 . 1 . . . . 20 I QD1 . 15809 1 50 . 1 1 19 19 ILE CA C 13 58.912 0.000 . 1 . . . . 20 I CA . 15809 1 51 . 1 1 19 19 ILE CD1 C 13 10.813 0.017 . 1 . . . . 20 I CD1 . 15809 1 52 . 1 1 19 19 ILE CG1 C 13 26.269 0.000 . 1 . . . . 20 I CG1 . 15809 1 53 . 1 1 19 19 ILE CG2 C 13 16.579 0.000 . 1 . . . . 20 I CG2 . 15809 1 54 . 1 1 19 19 ILE N N 15 124.908 0.030 . 1 . . . . 20 I N . 15809 1 55 . 1 1 20 20 LEU H H 1 8.166 0.012 . 1 . . . . 21 L HN . 15809 1 56 . 1 1 20 20 LEU HD11 H 1 0.706 0.007 . 1 . . . . 21 L QD1 . 15809 1 57 . 1 1 20 20 LEU HD12 H 1 0.706 0.007 . 1 . . . . 21 L QD1 . 15809 1 58 . 1 1 20 20 LEU HD13 H 1 0.706 0.007 . 1 . . . . 21 L QD1 . 15809 1 59 . 1 1 20 20 LEU C C 13 174.612 0.000 . 1 . . . . 21 L C . 15809 1 60 . 1 1 20 20 LEU CA C 13 52.725 0.020 . 1 . . . . 21 L CA . 15809 1 61 . 1 1 20 20 LEU CD1 C 13 24.396 0.058 . 2 . . . . 21 L CD1 . 15809 1 62 . 1 1 20 20 LEU N N 15 128.520 0.080 . 1 . . . . 21 L N . 15809 1 63 . 1 1 21 21 MET H H 1 9.036 0.000 . 1 . . . . 22 M HN . 15809 1 64 . 1 1 21 21 MET HE1 H 1 1.820 0.005 . 1 . . . . 22 M QE . 15809 1 65 . 1 1 21 21 MET HE2 H 1 1.820 0.005 . 1 . . . . 22 M QE . 15809 1 66 . 1 1 21 21 MET HE3 H 1 1.820 0.005 . 1 . . . . 22 M QE . 15809 1 67 . 1 1 21 21 MET C C 13 172.946 0.042 . 1 . . . . 22 M C . 15809 1 68 . 1 1 21 21 MET CA C 13 54.070 0.000 . 1 . . . . 22 M CA . 15809 1 69 . 1 1 21 21 MET CE C 13 15.831 0.026 . 1 . . . . 22 M CE . 15809 1 70 . 1 1 21 21 MET N N 15 125.808 0.000 . 1 . . . . 22 M N . 15809 1 71 . 1 1 22 22 VAL H H 1 8.433 0.001 . 1 . . . . 23 V HN . 15809 1 72 . 1 1 22 22 VAL HG11 H 1 -0.305 0.008 . 1 . . . . 23 V QG1 . 15809 1 73 . 1 1 22 22 VAL HG12 H 1 -0.305 0.008 . 1 . . . . 23 V QG1 . 15809 1 74 . 1 1 22 22 VAL HG13 H 1 -0.305 0.008 . 1 . . . . 23 V QG1 . 15809 1 75 . 1 1 22 22 VAL HG21 H 1 0.324 0.009 . 1 . . . . 23 V QG2 . 15809 1 76 . 1 1 22 22 VAL HG22 H 1 0.324 0.009 . 1 . . . . 23 V QG2 . 15809 1 77 . 1 1 22 22 VAL HG23 H 1 0.324 0.009 . 1 . . . . 23 V QG2 . 15809 1 78 . 1 1 22 22 VAL C C 13 174.046 0.000 . 1 . . . . 23 V C . 15809 1 79 . 1 1 22 22 VAL CA C 13 57.504 0.001 . 1 . . . . 23 V CA . 15809 1 80 . 1 1 22 22 VAL CB C 13 36.564 0.012 . 1 . . . . 23 V CB . 15809 1 81 . 1 1 22 22 VAL CG1 C 13 19.750 0.020 . 2 . . . . 23 V CG1 . 15809 1 82 . 1 1 22 22 VAL CG2 C 13 18.225 0.024 . 2 . . . . 23 V CG2 . 15809 1 83 . 1 1 22 22 VAL N N 15 115.319 0.017 . 1 . . . . 23 V N . 15809 1 84 . 1 1 23 23 GLY H H 1 6.382 0.005 . 1 . . . . 24 G HN . 15809 1 85 . 1 1 23 23 GLY C C 13 172.809 0.017 . 1 . . . . 24 G C . 15809 1 86 . 1 1 23 23 GLY CA C 13 43.121 0.000 . 1 . . . . 24 G CA . 15809 1 87 . 1 1 23 23 GLY N N 15 102.586 0.015 . 1 . . . . 24 G N . 15809 1 88 . 1 1 24 24 LEU H H 1 10.090 0.008 . 1 . . . . 25 L HN . 15809 1 89 . 1 1 24 24 LEU HD11 H 1 0.964 0.006 . 1 . . . . 25 L QD1 . 15809 1 90 . 1 1 24 24 LEU HD12 H 1 0.964 0.006 . 1 . . . . 25 L QD1 . 15809 1 91 . 1 1 24 24 LEU HD13 H 1 0.964 0.006 . 1 . . . . 25 L QD1 . 15809 1 92 . 1 1 24 24 LEU HD21 H 1 0.989 0.013 . 1 . . . . 25 L QD2 . 15809 1 93 . 1 1 24 24 LEU HD22 H 1 0.989 0.013 . 1 . . . . 25 L QD2 . 15809 1 94 . 1 1 24 24 LEU HD23 H 1 0.989 0.013 . 1 . . . . 25 L QD2 . 15809 1 95 . 1 1 24 24 LEU C C 13 179.037 0.022 . 1 . . . . 25 L C . 15809 1 96 . 1 1 24 24 LEU CA C 13 55.383 0.011 . 1 . . . . 25 L CA . 15809 1 97 . 1 1 24 24 LEU CB C 13 40.201 0.016 . 1 . . . . 25 L CB . 15809 1 98 . 1 1 24 24 LEU CD1 C 13 23.089 0.023 . 2 . . . . 25 L CD1 . 15809 1 99 . 1 1 24 24 LEU CD2 C 13 26.018 0.031 . 2 . . . . 25 L CD2 . 15809 1 100 . 1 1 24 24 LEU N N 15 124.531 0.018 . 1 . . . . 25 L N . 15809 1 101 . 1 1 25 25 ASP H H 1 8.927 0.003 . 1 . . . . 26 D HN . 15809 1 102 . 1 1 25 25 ASP HA H 1 4.193 0.000 . 1 . . . . 26 D HA . 15809 1 103 . 1 1 25 25 ASP C C 13 176.334 0.025 . 1 . . . . 26 D C . 15809 1 104 . 1 1 25 25 ASP CA C 13 55.122 0.000 . 1 . . . . 26 D CA . 15809 1 105 . 1 1 25 25 ASP CB C 13 39.803 0.000 . 1 . . . . 26 D CB . 15809 1 106 . 1 1 25 25 ASP N N 15 119.976 0.013 . 1 . . . . 26 D N . 15809 1 107 . 1 1 26 26 GLY H H 1 11.055 0.007 . 1 . . . . 27 G HN . 15809 1 108 . 1 1 26 26 GLY C C 13 173.226 0.011 . 1 . . . . 27 G C . 15809 1 109 . 1 1 26 26 GLY CA C 13 45.050 0.000 . 1 . . . . 27 G CA . 15809 1 110 . 1 1 26 26 GLY N N 15 114.952 0.018 . 1 . . . . 27 G N . 15809 1 111 . 1 1 27 27 ALA H H 1 7.417 0.004 . 1 . . . . 28 A HN . 15809 1 112 . 1 1 27 27 ALA HA H 1 3.788 0.000 . 1 . . . . 28 A HA . 15809 1 113 . 1 1 27 27 ALA HB1 H 1 1.065 0.017 . 1 . . . . 28 A QB . 15809 1 114 . 1 1 27 27 ALA HB2 H 1 1.065 0.017 . 1 . . . . 28 A QB . 15809 1 115 . 1 1 27 27 ALA HB3 H 1 1.065 0.017 . 1 . . . . 28 A QB . 15809 1 116 . 1 1 27 27 ALA C C 13 176.081 0.020 . 1 . . . . 28 A C . 15809 1 117 . 1 1 27 27 ALA CA C 13 55.044 0.000 . 1 . . . . 28 A CA . 15809 1 118 . 1 1 27 27 ALA CB C 13 19.737 0.008 . 1 . . . . 28 A CB . 15809 1 119 . 1 1 27 27 ALA N N 15 123.009 0.023 . 1 . . . . 28 A N . 15809 1 120 . 1 1 28 28 GLY H H 1 8.686 0.012 . 1 . . . . 29 G HN . 15809 1 121 . 1 1 28 28 GLY C C 13 174.163 0.031 . 1 . . . . 29 G C . 15809 1 122 . 1 1 28 28 GLY CA C 13 45.348 0.000 . 1 . . . . 29 G CA . 15809 1 123 . 1 1 28 28 GLY N N 15 102.797 0.011 . 1 . . . . 29 G N . 15809 1 124 . 1 1 29 29 LYS H H 1 9.841 0.011 . 1 . . . . 30 K HN . 15809 1 125 . 1 1 29 29 LYS C C 13 177.487 0.030 . 1 . . . . 30 K C . 15809 1 126 . 1 1 29 29 LYS CA C 13 59.382 0.000 . 1 . . . . 30 K CA . 15809 1 127 . 1 1 29 29 LYS CB C 13 29.103 0.000 . 1 . . . . 30 K CB . 15809 1 128 . 1 1 29 29 LYS N N 15 122.974 0.039 . 1 . . . . 30 K N . 15809 1 129 . 1 1 30 30 THR H H 1 9.046 0.007 . 1 . . . . 31 T HN . 15809 1 130 . 1 1 30 30 THR C C 13 175.803 0.020 . 1 . . . . 31 T C . 15809 1 131 . 1 1 30 30 THR CA C 13 68.332 0.000 . 1 . . . . 31 T CA . 15809 1 132 . 1 1 30 30 THR N N 15 122.163 0.028 . 1 . . . . 31 T N . 15809 1 133 . 1 1 31 31 THR H H 1 8.764 0.004 . 1 . . . . 32 T HN . 15809 1 134 . 1 1 31 31 THR C C 13 178.538 0.030 . 1 . . . . 32 T C . 15809 1 135 . 1 1 31 31 THR CA C 13 68.168 0.000 . 1 . . . . 32 T CA . 15809 1 136 . 1 1 31 31 THR N N 15 118.981 0.011 . 1 . . . . 32 T N . 15809 1 137 . 1 1 32 32 VAL H H 1 8.109 0.021 . 1 . . . . 33 V HN . 15809 1 138 . 1 1 32 32 VAL HG11 H 1 0.789 0.008 . 1 . . . . 33 V QG1 . 15809 1 139 . 1 1 32 32 VAL HG12 H 1 0.789 0.008 . 1 . . . . 33 V QG1 . 15809 1 140 . 1 1 32 32 VAL HG13 H 1 0.789 0.008 . 1 . . . . 33 V QG1 . 15809 1 141 . 1 1 32 32 VAL HG21 H 1 0.981 0.007 . 1 . . . . 33 V QG2 . 15809 1 142 . 1 1 32 32 VAL HG22 H 1 0.981 0.007 . 1 . . . . 33 V QG2 . 15809 1 143 . 1 1 32 32 VAL HG23 H 1 0.981 0.007 . 1 . . . . 33 V QG2 . 15809 1 144 . 1 1 32 32 VAL C C 13 176.481 0.021 . 1 . . . . 33 V C . 15809 1 145 . 1 1 32 32 VAL CA C 13 67.061 0.054 . 1 . . . . 33 V CA . 15809 1 146 . 1 1 32 32 VAL CB C 13 30.706 0.079 . 1 . . . . 33 V CB . 15809 1 147 . 1 1 32 32 VAL CG1 C 13 21.758 0.022 . 2 . . . . 33 V CG1 . 15809 1 148 . 1 1 32 32 VAL CG2 C 13 23.167 0.083 . 2 . . . . 33 V CG2 . 15809 1 149 . 1 1 32 32 VAL N N 15 121.248 0.000 . 1 . . . . 33 V N . 15809 1 150 . 1 1 33 33 LEU H H 1 8.040 0.028 . 1 . . . . 34 L HN . 15809 1 151 . 1 1 33 33 LEU C C 13 179.655 0.014 . 1 . . . . 34 L C . 15809 1 152 . 1 1 33 33 LEU CA C 13 58.248 0.018 . 1 . . . . 34 L CA . 15809 1 153 . 1 1 33 33 LEU N N 15 117.301 0.000 . 1 . . . . 34 L N . 15809 1 154 . 1 1 34 34 TYR H H 1 8.225 0.002 . 1 . . . . 35 Y HN . 15809 1 155 . 1 1 34 34 TYR C C 13 179.463 0.010 . 1 . . . . 35 Y C . 15809 1 156 . 1 1 34 34 TYR CA C 13 61.473 0.039 . 1 . . . . 35 Y CA . 15809 1 157 . 1 1 34 34 TYR CB C 13 37.675 0.000 . 1 . . . . 35 Y CB . 15809 1 158 . 1 1 34 34 TYR N N 15 115.451 0.055 . 1 . . . . 35 Y N . 15809 1 159 . 1 1 35 35 LYS H H 1 8.120 0.007 . 1 . . . . 36 K HN . 15809 1 160 . 1 1 35 35 LYS C C 13 177.680 0.014 . 1 . . . . 36 K C . 15809 1 161 . 1 1 35 35 LYS CA C 13 55.982 0.000 . 1 . . . . 36 K CA . 15809 1 162 . 1 1 35 35 LYS CB C 13 30.924 0.000 . 1 . . . . 36 K CB . 15809 1 163 . 1 1 35 35 LYS N N 15 121.783 0.017 . 1 . . . . 36 K N . 15809 1 164 . 1 1 36 36 LEU H H 1 7.494 0.008 . 1 . . . . 37 L HN . 15809 1 165 . 1 1 36 36 LEU HD11 H 1 0.182 0.004 . 1 . . . . 37 L QD1 . 15809 1 166 . 1 1 36 36 LEU HD12 H 1 0.182 0.004 . 1 . . . . 37 L QD1 . 15809 1 167 . 1 1 36 36 LEU HD13 H 1 0.182 0.004 . 1 . . . . 37 L QD1 . 15809 1 168 . 1 1 36 36 LEU HD21 H 1 0.755 0.002 . 1 . . . . 37 L QD2 . 15809 1 169 . 1 1 36 36 LEU HD22 H 1 0.755 0.002 . 1 . . . . 37 L QD2 . 15809 1 170 . 1 1 36 36 LEU HD23 H 1 0.755 0.002 . 1 . . . . 37 L QD2 . 15809 1 171 . 1 1 36 36 LEU C C 13 176.428 0.018 . 1 . . . . 37 L C . 15809 1 172 . 1 1 36 36 LEU CA C 13 56.099 0.000 . 1 . . . . 37 L CA . 15809 1 173 . 1 1 36 36 LEU CB C 13 40.653 0.000 . 1 . . . . 37 L CB . 15809 1 174 . 1 1 36 36 LEU CD1 C 13 25.249 0.003 . 2 . . . . 37 L CD1 . 15809 1 175 . 1 1 36 36 LEU N N 15 114.870 0.020 . 1 . . . . 37 L N . 15809 1 176 . 1 1 37 37 LYS H H 1 7.224 0.005 . 1 . . . . 38 K HN . 15809 1 177 . 1 1 37 37 LYS C C 13 176.465 0.004 . 1 . . . . 38 K C . 15809 1 178 . 1 1 37 37 LYS CA C 13 56.984 0.000 . 1 . . . . 38 K CA . 15809 1 179 . 1 1 37 37 LYS N N 15 111.559 0.054 . 1 . . . . 38 K N . 15809 1 180 . 1 1 38 38 LEU H H 1 8.070 0.019 . 1 . . . . 39 L HN . 15809 1 181 . 1 1 38 38 LEU HD11 H 1 0.174 0.008 . 1 . . . . 39 L QD1 . 15809 1 182 . 1 1 38 38 LEU HD12 H 1 0.174 0.008 . 1 . . . . 39 L QD1 . 15809 1 183 . 1 1 38 38 LEU HD13 H 1 0.174 0.008 . 1 . . . . 39 L QD1 . 15809 1 184 . 1 1 38 38 LEU HD21 H 1 0.618 0.000 . 1 . . . . 39 L QD2 . 15809 1 185 . 1 1 38 38 LEU HD22 H 1 0.618 0.000 . 1 . . . . 39 L QD2 . 15809 1 186 . 1 1 38 38 LEU HD23 H 1 0.618 0.000 . 1 . . . . 39 L QD2 . 15809 1 187 . 1 1 38 38 LEU C C 13 176.183 0.025 . 1 . . . . 39 L C . 15809 1 188 . 1 1 38 38 LEU CA C 13 54.419 0.000 . 1 . . . . 39 L CA . 15809 1 189 . 1 1 38 38 LEU CB C 13 41.947 0.000 . 1 . . . . 39 L CB . 15809 1 190 . 1 1 38 38 LEU N N 15 117.405 0.004 . 1 . . . . 39 L N . 15809 1 191 . 1 1 39 39 GLY H H 1 7.104 0.012 . 1 . . . . 40 G HN . 15809 1 192 . 1 1 39 39 GLY C C 13 172.351 0.022 . 1 . . . . 40 G C . 15809 1 193 . 1 1 39 39 GLY CA C 13 44.129 0.111 . 1 . . . . 40 G CA . 15809 1 194 . 1 1 39 39 GLY N N 15 103.661 0.073 . 1 . . . . 40 G N . 15809 1 195 . 1 1 40 40 GLU H H 1 8.407 0.016 . 1 . . . . 41 E HN . 15809 1 196 . 1 1 40 40 GLU C C 13 175.218 0.092 . 1 . . . . 41 E C . 15809 1 197 . 1 1 40 40 GLU CA C 13 55.826 0.000 . 1 . . . . 41 E CA . 15809 1 198 . 1 1 40 40 GLU CB C 13 29.588 0.000 . 1 . . . . 41 E CB . 15809 1 199 . 1 1 40 40 GLU N N 15 121.224 0.013 . 1 . . . . 41 E N . 15809 1 200 . 1 1 41 41 VAL H H 1 8.233 0.012 . 1 . . . . 42 V HN . 15809 1 201 . 1 1 41 41 VAL HG11 H 1 0.402 0.006 . 1 . . . . 42 V QG1 . 15809 1 202 . 1 1 41 41 VAL HG12 H 1 0.402 0.006 . 1 . . . . 42 V QG1 . 15809 1 203 . 1 1 41 41 VAL HG13 H 1 0.402 0.006 . 1 . . . . 42 V QG1 . 15809 1 204 . 1 1 41 41 VAL HG21 H 1 0.602 0.005 . 1 . . . . 42 V QG2 . 15809 1 205 . 1 1 41 41 VAL HG22 H 1 0.602 0.005 . 1 . . . . 42 V QG2 . 15809 1 206 . 1 1 41 41 VAL HG23 H 1 0.602 0.005 . 1 . . . . 42 V QG2 . 15809 1 207 . 1 1 41 41 VAL C C 13 176.388 0.002 . 1 . . . . 42 V C . 15809 1 208 . 1 1 41 41 VAL CA C 13 61.984 0.022 . 1 . . . . 42 V CA . 15809 1 209 . 1 1 41 41 VAL CB C 13 31.176 0.000 . 1 . . . . 42 V CB . 15809 1 210 . 1 1 41 41 VAL CG1 C 13 20.829 0.017 . 2 . . . . 42 V CG1 . 15809 1 211 . 1 1 41 41 VAL CG2 C 13 21.348 0.029 . 2 . . . . 42 V CG2 . 15809 1 212 . 1 1 41 41 VAL N N 15 124.481 0.006 . 1 . . . . 42 V N . 15809 1 213 . 1 1 42 42 ILE H H 1 9.085 0.011 . 1 . . . . 43 I HN . 15809 1 214 . 1 1 42 42 ILE HD11 H 1 0.722 0.001 . 1 . . . . 43 I QD1 . 15809 1 215 . 1 1 42 42 ILE HD12 H 1 0.722 0.001 . 1 . . . . 43 I QD1 . 15809 1 216 . 1 1 42 42 ILE HD13 H 1 0.722 0.001 . 1 . . . . 43 I QD1 . 15809 1 217 . 1 1 42 42 ILE C C 13 176.544 0.023 . 1 . . . . 43 I C . 15809 1 218 . 1 1 42 42 ILE CA C 13 58.991 0.000 . 1 . . . . 43 I CA . 15809 1 219 . 1 1 42 42 ILE CB C 13 37.802 0.000 . 1 . . . . 43 I CB . 15809 1 220 . 1 1 42 42 ILE CD1 C 13 11.249 0.051 . 1 . . . . 43 I CD1 . 15809 1 221 . 1 1 42 42 ILE CG1 C 13 26.247 0.000 . 1 . . . . 43 I CG1 . 15809 1 222 . 1 1 42 42 ILE CG2 C 13 16.501 0.000 . 1 . . . . 43 I CG2 . 15809 1 223 . 1 1 42 42 ILE N N 15 131.959 0.006 . 1 . . . . 43 I N . 15809 1 224 . 1 1 43 43 THR H H 1 8.858 0.008 . 1 . . . . 44 T HN . 15809 1 225 . 1 1 43 43 THR C C 13 174.648 0.012 . 1 . . . . 44 T C . 15809 1 226 . 1 1 43 43 THR CA C 13 61.844 0.000 . 1 . . . . 44 T CA . 15809 1 227 . 1 1 43 43 THR CB C 13 69.328 0.000 . 1 . . . . 44 T CB . 15809 1 228 . 1 1 43 43 THR N N 15 125.185 0.002 . 1 . . . . 44 T N . 15809 1 229 . 1 1 44 44 THR H H 1 9.320 0.003 . 1 . . . . 45 T HN . 15809 1 230 . 1 1 44 44 THR HG21 H 1 1.075 0.007 . 1 . . . . 45 T QG2 . 15809 1 231 . 1 1 44 44 THR HG22 H 1 1.075 0.007 . 1 . . . . 45 T QG2 . 15809 1 232 . 1 1 44 44 THR HG23 H 1 1.075 0.007 . 1 . . . . 45 T QG2 . 15809 1 233 . 1 1 44 44 THR C C 13 172.270 0.001 . 1 . . . . 45 T C . 15809 1 234 . 1 1 44 44 THR CA C 13 59.984 0.024 . 1 . . . . 45 T CA . 15809 1 235 . 1 1 44 44 THR CB C 13 71.320 0.000 . 1 . . . . 45 T CB . 15809 1 236 . 1 1 44 44 THR N N 15 121.070 0.018 . 1 . . . . 45 T N . 15809 1 237 . 1 1 45 45 ILE H H 1 8.375 0.003 . 1 . . . . 46 I HN . 15809 1 238 . 1 1 45 45 ILE HD11 H 1 0.793 0.003 . 1 . . . . 46 I QD1 . 15809 1 239 . 1 1 45 45 ILE HD12 H 1 0.793 0.003 . 1 . . . . 46 I QD1 . 15809 1 240 . 1 1 45 45 ILE HD13 H 1 0.793 0.003 . 1 . . . . 46 I QD1 . 15809 1 241 . 1 1 45 45 ILE HG21 H 1 0.735 0.002 . 1 . . . . 46 I QG2 . 15809 1 242 . 1 1 45 45 ILE HG22 H 1 0.735 0.002 . 1 . . . . 46 I QG2 . 15809 1 243 . 1 1 45 45 ILE HG23 H 1 0.735 0.002 . 1 . . . . 46 I QG2 . 15809 1 244 . 1 1 45 45 ILE CA C 13 57.773 0.003 . 1 . . . . 46 I CA . 15809 1 245 . 1 1 45 45 ILE CB C 13 37.864 0.070 . 1 . . . . 46 I CB . 15809 1 246 . 1 1 45 45 ILE CD1 C 13 13.748 0.016 . 1 . . . . 46 I CD1 . 15809 1 247 . 1 1 45 45 ILE CG1 C 13 25.960 0.000 . 1 . . . . 46 I CG1 . 15809 1 248 . 1 1 45 45 ILE CG2 C 13 17.451 0.026 . 1 . . . . 46 I CG2 . 15809 1 249 . 1 1 45 45 ILE N N 15 121.818 0.026 . 1 . . . . 46 I N . 15809 1 250 . 1 1 46 46 PRO C C 13 177.428 0.005 . 1 . . . . 47 P C . 15809 1 251 . 1 1 46 46 PRO CA C 13 64.189 0.000 . 1 . . . . 47 P CA . 15809 1 252 . 1 1 46 46 PRO CB C 13 31.968 0.000 . 1 . . . . 47 P CB . 15809 1 253 . 1 1 47 47 THR H H 1 7.358 0.014 . 1 . . . . 48 T HN . 15809 1 254 . 1 1 47 47 THR HA H 1 4.461 0.000 . 1 . . . . 48 T HA . 15809 1 255 . 1 1 47 47 THR C C 13 171.855 0.017 . 1 . . . . 48 T C . 15809 1 256 . 1 1 47 47 THR CA C 13 59.851 0.000 . 1 . . . . 48 T CA . 15809 1 257 . 1 1 47 47 THR N N 15 108.445 0.033 . 1 . . . . 48 T N . 15809 1 258 . 1 1 48 48 ILE H H 1 7.901 0.005 . 1 . . . . 49 I HN . 15809 1 259 . 1 1 48 48 ILE HA H 1 4.327 0.000 . 1 . . . . 49 I HA . 15809 1 260 . 1 1 48 48 ILE HD11 H 1 0.844 0.003 . 1 . . . . 49 I QD1 . 15809 1 261 . 1 1 48 48 ILE HD12 H 1 0.844 0.003 . 1 . . . . 49 I QD1 . 15809 1 262 . 1 1 48 48 ILE HD13 H 1 0.844 0.003 . 1 . . . . 49 I QD1 . 15809 1 263 . 1 1 48 48 ILE HG21 H 1 0.854 0.009 . 1 . . . . 49 I QG2 . 15809 1 264 . 1 1 48 48 ILE HG22 H 1 0.854 0.009 . 1 . . . . 49 I QG2 . 15809 1 265 . 1 1 48 48 ILE HG23 H 1 0.854 0.009 . 1 . . . . 49 I QG2 . 15809 1 266 . 1 1 48 48 ILE C C 13 177.220 0.003 . 1 . . . . 49 I C . 15809 1 267 . 1 1 48 48 ILE CA C 13 62.992 0.012 . 1 . . . . 49 I CA . 15809 1 268 . 1 1 48 48 ILE CB C 13 36.740 0.036 . 1 . . . . 49 I CB . 15809 1 269 . 1 1 48 48 ILE CD1 C 13 12.390 0.037 . 1 . . . . 49 I CD1 . 15809 1 270 . 1 1 48 48 ILE CG1 C 13 27.191 0.105 . 1 . . . . 49 I CG1 . 15809 1 271 . 1 1 48 48 ILE CG2 C 13 16.386 0.117 . 1 . . . . 49 I CG2 . 15809 1 272 . 1 1 48 48 ILE N N 15 123.694 0.022 . 1 . . . . 49 I N . 15809 1 273 . 1 1 49 49 GLY H H 1 8.808 0.018 . 1 . . . . 50 G HN . 15809 1 274 . 1 1 49 49 GLY C C 13 173.368 0.000 . 1 . . . . 50 G C . 15809 1 275 . 1 1 49 49 GLY CA C 13 44.735 0.197 . 1 . . . . 50 G CA . 15809 1 276 . 1 1 49 49 GLY N N 15 114.142 0.015 . 1 . . . . 50 G N . 15809 1 277 . 1 1 50 50 PHE H H 1 8.247 0.016 . 1 . . . . 51 F HN . 15809 1 278 . 1 1 50 50 PHE C C 13 170.936 0.000 . 1 . . . . 51 F C . 15809 1 279 . 1 1 50 50 PHE CA C 13 55.190 0.000 . 1 . . . . 51 F CA . 15809 1 280 . 1 1 50 50 PHE N N 15 123.390 0.000 . 1 . . . . 51 F N . 15809 1 281 . 1 1 51 51 ASN H H 1 7.787 0.005 . 1 . . . . 52 N HN . 15809 1 282 . 1 1 51 51 ASN HD21 H 1 6.671 0.004 . 2 . . . . 52 N HD21 . 15809 1 283 . 1 1 51 51 ASN HD22 H 1 7.279 0.004 . 2 . . . . 52 N HD22 . 15809 1 284 . 1 1 51 51 ASN C C 13 173.897 0.003 . 1 . . . . 52 N C . 15809 1 285 . 1 1 51 51 ASN CA C 13 52.191 0.000 . 1 . . . . 52 N CA . 15809 1 286 . 1 1 51 51 ASN CB C 13 40.062 0.000 . 1 . . . . 52 N CB . 15809 1 287 . 1 1 51 51 ASN N N 15 121.801 0.000 . 1 . . . . 52 N N . 15809 1 288 . 1 1 51 51 ASN ND2 N 15 111.915 0.001 . 1 . . . . 52 N ND2 . 15809 1 289 . 1 1 52 52 VAL H H 1 8.836 0.019 . 1 . . . . 53 V HN . 15809 1 290 . 1 1 52 52 VAL HG11 H 1 0.147 0.005 . 1 . . . . 53 V QG1 . 15809 1 291 . 1 1 52 52 VAL HG12 H 1 0.147 0.005 . 1 . . . . 53 V QG1 . 15809 1 292 . 1 1 52 52 VAL HG13 H 1 0.147 0.005 . 1 . . . . 53 V QG1 . 15809 1 293 . 1 1 52 52 VAL HG21 H 1 0.687 0.007 . 1 . . . . 53 V QG2 . 15809 1 294 . 1 1 52 52 VAL HG22 H 1 0.687 0.007 . 1 . . . . 53 V QG2 . 15809 1 295 . 1 1 52 52 VAL HG23 H 1 0.687 0.007 . 1 . . . . 53 V QG2 . 15809 1 296 . 1 1 52 52 VAL C C 13 175.539 0.031 . 1 . . . . 53 V C . 15809 1 297 . 1 1 52 52 VAL CA C 13 61.015 0.000 . 1 . . . . 53 V CA . 15809 1 298 . 1 1 52 52 VAL CB C 13 33.783 0.000 . 1 . . . . 53 V CB . 15809 1 299 . 1 1 52 52 VAL CG1 C 13 21.558 0.028 . 2 . . . . 53 V CG1 . 15809 1 300 . 1 1 52 52 VAL CG2 C 13 22.041 0.019 . 2 . . . . 53 V CG2 . 15809 1 301 . 1 1 52 52 VAL N N 15 124.050 0.016 . 1 . . . . 53 V N . 15809 1 302 . 1 1 53 53 GLU H H 1 8.752 0.009 . 1 . . . . 54 E HN . 15809 1 303 . 1 1 53 53 GLU C C 13 175.616 0.041 . 1 . . . . 54 E C . 15809 1 304 . 1 1 53 53 GLU CA C 13 53.871 0.000 . 1 . . . . 54 E CA . 15809 1 305 . 1 1 53 53 GLU CB C 13 32.071 0.000 . 1 . . . . 54 E CB . 15809 1 306 . 1 1 53 53 GLU N N 15 125.834 0.034 . 1 . . . . 54 E N . 15809 1 307 . 1 1 54 54 THR H H 1 8.951 0.010 . 1 . . . . 55 T HN . 15809 1 308 . 1 1 54 54 THR HG21 H 1 0.195 0.009 . 1 . . . . 55 T QG2 . 15809 1 309 . 1 1 54 54 THR HG22 H 1 0.195 0.009 . 1 . . . . 55 T QG2 . 15809 1 310 . 1 1 54 54 THR HG23 H 1 0.195 0.009 . 1 . . . . 55 T QG2 . 15809 1 311 . 1 1 54 54 THR C C 13 172.101 0.023 . 1 . . . . 55 T C . 15809 1 312 . 1 1 54 54 THR CA C 13 59.825 0.005 . 1 . . . . 55 T CA . 15809 1 313 . 1 1 54 54 THR N N 15 114.261 0.024 . 1 . . . . 55 T N . 15809 1 314 . 1 1 55 55 VAL H H 1 8.428 0.001 . 1 . . . . 56 V HN . 15809 1 315 . 1 1 55 55 VAL HG11 H 1 0.591 0.013 . 1 . . . . 56 V QG1 . 15809 1 316 . 1 1 55 55 VAL HG12 H 1 0.591 0.013 . 1 . . . . 56 V QG1 . 15809 1 317 . 1 1 55 55 VAL HG13 H 1 0.591 0.013 . 1 . . . . 56 V QG1 . 15809 1 318 . 1 1 55 55 VAL HG21 H 1 0.666 0.020 . 1 . . . . 56 V QG2 . 15809 1 319 . 1 1 55 55 VAL HG22 H 1 0.666 0.020 . 1 . . . . 56 V QG2 . 15809 1 320 . 1 1 55 55 VAL HG23 H 1 0.666 0.020 . 1 . . . . 56 V QG2 . 15809 1 321 . 1 1 55 55 VAL C C 13 173.274 0.028 . 1 . . . . 56 V C . 15809 1 322 . 1 1 55 55 VAL CA C 13 61.092 0.017 . 1 . . . . 56 V CA . 15809 1 323 . 1 1 55 55 VAL CB C 13 35.855 0.011 . 1 . . . . 56 V CB . 15809 1 324 . 1 1 55 55 VAL CG1 C 13 20.750 0.020 . 2 . . . . 56 V CG1 . 15809 1 325 . 1 1 55 55 VAL CG2 C 13 23.269 0.024 . 2 . . . . 56 V CG2 . 15809 1 326 . 1 1 55 55 VAL N N 15 120.870 0.028 . 1 . . . . 56 V N . 15809 1 327 . 1 1 56 56 GLN H H 1 8.721 0.007 . 1 . . . . 57 Q HN . 15809 1 328 . 1 1 56 56 GLN HA H 1 5.072 0.000 . 1 . . . . 57 Q HA . 15809 1 329 . 1 1 56 56 GLN C C 13 174.225 0.000 . 1 . . . . 57 Q C . 15809 1 330 . 1 1 56 56 GLN CA C 13 53.871 0.000 . 1 . . . . 57 Q CA . 15809 1 331 . 1 1 56 56 GLN CB C 13 29.714 0.000 . 1 . . . . 57 Q CB . 15809 1 332 . 1 1 56 56 GLN N N 15 127.273 0.033 . 1 . . . . 57 Q N . 15809 1 333 . 1 1 57 57 TYR H H 1 9.104 0.002 . 1 . . . . 58 Y HN . 15809 1 334 . 1 1 57 57 TYR CA C 13 56.808 0.004 . 1 . . . . 58 Y CA . 15809 1 335 . 1 1 57 57 TYR N N 15 128.172 0.003 . 1 . . . . 58 Y N . 15809 1 336 . 1 1 58 58 LYS CA C 13 58.327 0.000 . 1 . . . . 59 K CA . 15809 1 337 . 1 1 59 59 ASN H H 1 8.793 0.000 . 1 . . . . 60 N HN . 15809 1 338 . 1 1 59 59 ASN CA C 13 53.602 0.042 . 1 . . . . 60 N CA . 15809 1 339 . 1 1 59 59 ASN CB C 13 36.933 0.000 . 1 . . . . 60 N CB . 15809 1 340 . 1 1 59 59 ASN N N 15 120.448 0.000 . 1 . . . . 60 N N . 15809 1 341 . 1 1 60 60 ILE H H 1 8.756 0.001 . 1 . . . . 61 I HN . 15809 1 342 . 1 1 60 60 ILE HD11 H 1 0.347 0.000 . 1 . . . . 61 I QD1 . 15809 1 343 . 1 1 60 60 ILE HD12 H 1 0.347 0.000 . 1 . . . . 61 I QD1 . 15809 1 344 . 1 1 60 60 ILE HD13 H 1 0.347 0.000 . 1 . . . . 61 I QD1 . 15809 1 345 . 1 1 60 60 ILE HG21 H 1 0.698 0.012 . 1 . . . . 61 I QG2 . 15809 1 346 . 1 1 60 60 ILE HG22 H 1 0.698 0.012 . 1 . . . . 61 I QG2 . 15809 1 347 . 1 1 60 60 ILE HG23 H 1 0.698 0.012 . 1 . . . . 61 I QG2 . 15809 1 348 . 1 1 60 60 ILE C C 13 174.694 0.006 . 1 . . . . 61 I C . 15809 1 349 . 1 1 60 60 ILE CA C 13 59.370 0.012 . 1 . . . . 61 I CA . 15809 1 350 . 1 1 60 60 ILE CB C 13 38.118 0.000 . 1 . . . . 61 I CB . 15809 1 351 . 1 1 60 60 ILE N N 15 123.107 0.014 . 1 . . . . 61 I N . 15809 1 352 . 1 1 61 61 SER H H 1 8.348 0.013 . 1 . . . . 62 S HN . 15809 1 353 . 1 1 61 61 SER HB2 H 1 3.728 0.015 . 2 . . . . 62 S QB . 15809 1 354 . 1 1 61 61 SER HB3 H 1 3.728 0.015 . 2 . . . . 62 S QB . 15809 1 355 . 1 1 61 61 SER CA C 13 56.688 0.000 . 1 . . . . 62 S CA . 15809 1 356 . 1 1 61 61 SER N N 15 119.958 0.108 . 1 . . . . 62 S N . 15809 1 357 . 1 1 62 62 PHE H H 1 9.120 0.018 . 1 . . . . 63 F HN . 15809 1 358 . 1 1 62 62 PHE C C 13 175.306 0.024 . 1 . . . . 63 F C . 15809 1 359 . 1 1 62 62 PHE CA C 13 56.692 0.023 . 1 . . . . 63 F CA . 15809 1 360 . 1 1 62 62 PHE CB C 13 41.146 0.000 . 1 . . . . 63 F CB . 15809 1 361 . 1 1 62 62 PHE N N 15 123.530 0.024 . 1 . . . . 63 F N . 15809 1 362 . 1 1 63 63 THR H H 1 8.409 0.005 . 1 . . . . 64 T HN . 15809 1 363 . 1 1 63 63 THR C C 13 172.881 0.094 . 1 . . . . 64 T C . 15809 1 364 . 1 1 63 63 THR CA C 13 62.665 0.000 . 1 . . . . 64 T CA . 15809 1 365 . 1 1 63 63 THR CB C 13 70.511 0.000 . 1 . . . . 64 T CB . 15809 1 366 . 1 1 63 63 THR N N 15 119.917 0.032 . 1 . . . . 64 T N . 15809 1 367 . 1 1 64 64 VAL H H 1 9.449 0.011 . 1 . . . . 65 V HN . 15809 1 368 . 1 1 64 64 VAL HG11 H 1 0.675 0.005 . 1 . . . . 65 V QG1 . 15809 1 369 . 1 1 64 64 VAL HG12 H 1 0.675 0.005 . 1 . . . . 65 V QG1 . 15809 1 370 . 1 1 64 64 VAL HG13 H 1 0.675 0.005 . 1 . . . . 65 V QG1 . 15809 1 371 . 1 1 64 64 VAL CA C 13 60.987 0.000 . 1 . . . . 65 V CA . 15809 1 372 . 1 1 64 64 VAL CB C 13 33.794 0.000 . 1 . . . . 65 V CB . 15809 1 373 . 1 1 64 64 VAL CG1 C 13 21.901 0.006 . 2 . . . . 65 V CG1 . 15809 1 374 . 1 1 64 64 VAL N N 15 126.768 0.025 . 1 . . . . 65 V N . 15809 1 375 . 1 1 65 65 TRP HB2 H 1 3.250 0.000 . 2 . . . . 66 W HB2 . 15809 1 376 . 1 1 65 65 TRP HB3 H 1 3.441 0.000 . 2 . . . . 66 W HB3 . 15809 1 377 . 1 1 65 65 TRP C C 13 172.681 0.054 . 1 . . . . 66 W C . 15809 1 378 . 1 1 65 65 TRP CA C 13 56.724 0.000 . 1 . . . . 66 W CA . 15809 1 379 . 1 1 65 65 TRP CB C 13 30.512 0.000 . 1 . . . . 66 W CB . 15809 1 380 . 1 1 66 66 ASP H H 1 8.896 0.000 . 1 . . . . 67 D HN . 15809 1 381 . 1 1 66 66 ASP C C 13 176.373 0.013 . 1 . . . . 67 D C . 15809 1 382 . 1 1 66 66 ASP CA C 13 53.012 0.000 . 1 . . . . 67 D CA . 15809 1 383 . 1 1 66 66 ASP CB C 13 41.146 0.000 . 1 . . . . 67 D CB . 15809 1 384 . 1 1 66 66 ASP N N 15 117.151 0.000 . 1 . . . . 67 D N . 15809 1 385 . 1 1 67 67 VAL H H 1 7.884 0.015 . 1 . . . . 68 V HN . 15809 1 386 . 1 1 67 67 VAL HG11 H 1 0.819 0.006 . 1 . . . . 68 V QG1 . 15809 1 387 . 1 1 67 67 VAL HG12 H 1 0.819 0.006 . 1 . . . . 68 V QG1 . 15809 1 388 . 1 1 67 67 VAL HG13 H 1 0.819 0.006 . 1 . . . . 68 V QG1 . 15809 1 389 . 1 1 67 67 VAL HG21 H 1 0.741 0.010 . 1 . . . . 68 V QG2 . 15809 1 390 . 1 1 67 67 VAL HG22 H 1 0.741 0.010 . 1 . . . . 68 V QG2 . 15809 1 391 . 1 1 67 67 VAL HG23 H 1 0.741 0.010 . 1 . . . . 68 V QG2 . 15809 1 392 . 1 1 67 67 VAL C C 13 174.676 0.004 . 1 . . . . 68 V C . 15809 1 393 . 1 1 67 67 VAL CA C 13 59.897 0.000 . 1 . . . . 68 V CA . 15809 1 394 . 1 1 67 67 VAL CB C 13 32.883 0.000 . 1 . . . . 68 V CB . 15809 1 395 . 1 1 67 67 VAL CG1 C 13 22.176 0.010 . 2 . . . . 68 V CG1 . 15809 1 396 . 1 1 67 67 VAL CG2 C 13 19.927 0.018 . 2 . . . . 68 V CG2 . 15809 1 397 . 1 1 67 67 VAL N N 15 116.282 0.032 . 1 . . . . 68 V N . 15809 1 398 . 1 1 68 68 GLY H H 1 8.436 0.029 . 1 . . . . 69 G HN . 15809 1 399 . 1 1 68 68 GLY C C 13 174.841 0.012 . 1 . . . . 69 G C . 15809 1 400 . 1 1 68 68 GLY CA C 13 44.670 0.000 . 1 . . . . 69 G CA . 15809 1 401 . 1 1 68 68 GLY N N 15 108.615 0.018 . 1 . . . . 69 G N . 15809 1 402 . 1 1 69 69 GLY H H 1 9.422 0.000 . 1 . . . . 70 G HN . 15809 1 403 . 1 1 69 69 GLY C C 13 175.007 0.008 . 1 . . . . 70 G C . 15809 1 404 . 1 1 69 69 GLY CA C 13 45.907 0.000 . 1 . . . . 70 G CA . 15809 1 405 . 1 1 69 69 GLY N N 15 109.076 0.000 . 1 . . . . 70 G N . 15809 1 406 . 1 1 70 70 GLN H H 1 8.547 0.000 . 1 . . . . 71 Q HN . 15809 1 407 . 1 1 70 70 GLN HA H 1 4.435 0.000 . 1 . . . . 71 Q HA . 15809 1 408 . 1 1 70 70 GLN CA C 13 56.089 0.000 . 1 . . . . 71 Q CA . 15809 1 409 . 1 1 70 70 GLN N N 15 118.148 0.000 . 1 . . . . 71 Q N . 15809 1 410 . 1 1 71 71 ASP C C 13 178.547 0.000 . 1 . . . . 72 D C . 15809 1 411 . 1 1 71 71 ASP CA C 13 57.428 0.000 . 1 . . . . 72 D CA . 15809 1 412 . 1 1 72 72 ARG H H 1 9.183 0.048 . 1 . . . . 73 R HN . 15809 1 413 . 1 1 72 72 ARG CA C 13 56.653 0.000 . 1 . . . . 73 R CA . 15809 1 414 . 1 1 72 72 ARG N N 15 123.156 0.352 . 1 . . . . 73 R N . 15809 1 415 . 1 1 73 73 ILE H H 1 7.641 0.013 . 1 . . . . 74 I HN . 15809 1 416 . 1 1 73 73 ILE CA C 13 61.315 0.000 . 1 . . . . 74 I CA . 15809 1 417 . 1 1 73 73 ILE N N 15 118.817 0.051 . 1 . . . . 74 I N . 15809 1 418 . 1 1 76 76 LEU H H 1 7.552 0.000 . 1 . . . . 77 L HN . 15809 1 419 . 1 1 76 76 LEU HD11 H 1 0.656 0.002 . 1 . . . . 77 L QD1 . 15809 1 420 . 1 1 76 76 LEU HD12 H 1 0.656 0.002 . 1 . . . . 77 L QD1 . 15809 1 421 . 1 1 76 76 LEU HD13 H 1 0.656 0.002 . 1 . . . . 77 L QD1 . 15809 1 422 . 1 1 76 76 LEU HD21 H 1 0.701 0.005 . 1 . . . . 77 L QD2 . 15809 1 423 . 1 1 76 76 LEU HD22 H 1 0.701 0.005 . 1 . . . . 77 L QD2 . 15809 1 424 . 1 1 76 76 LEU HD23 H 1 0.701 0.005 . 1 . . . . 77 L QD2 . 15809 1 425 . 1 1 76 76 LEU C C 13 178.030 0.034 . 1 . . . . 77 L C . 15809 1 426 . 1 1 76 76 LEU CA C 13 56.105 0.010 . 1 . . . . 77 L CA . 15809 1 427 . 1 1 76 76 LEU CB C 13 40.912 0.030 . 1 . . . . 77 L CB . 15809 1 428 . 1 1 76 76 LEU CD1 C 13 23.688 0.043 . 2 . . . . 77 L CD1 . 15809 1 429 . 1 1 76 76 LEU CD2 C 13 24.814 0.046 . 2 . . . . 77 L CD2 . 15809 1 430 . 1 1 76 76 LEU CG C 13 26.377 0.062 . 1 . . . . 77 L CG . 15809 1 431 . 1 1 77 77 TRP H H 1 7.102 0.001 . 1 . . . . 78 W HN . 15809 1 432 . 1 1 77 77 TRP HB2 H 1 3.067 0.000 . 2 . . . . 78 W QB . 15809 1 433 . 1 1 77 77 TRP HB3 H 1 3.067 0.000 . 2 . . . . 78 W QB . 15809 1 434 . 1 1 77 77 TRP C C 13 177.325 0.000 . 1 . . . . 78 W C . 15809 1 435 . 1 1 77 77 TRP CA C 13 57.274 0.002 . 1 . . . . 78 W CA . 15809 1 436 . 1 1 77 77 TRP N N 15 116.641 0.017 . 1 . . . . 78 W N . 15809 1 437 . 1 1 78 78 ARG H H 1 7.290 0.006 . 1 . . . . 79 R HN . 15809 1 438 . 1 1 78 78 ARG CA C 13 58.931 0.000 . 1 . . . . 79 R CA . 15809 1 439 . 1 1 78 78 ARG N N 15 115.013 0.000 . 1 . . . . 79 R N . 15809 1 440 . 1 1 80 80 TYR H H 1 8.433 0.000 . 1 . . . . 81 Y HN . 15809 1 441 . 1 1 81 81 TYR H H 1 9.178 0.001 . 1 . . . . 82 Y HN . 15809 1 442 . 1 1 81 81 TYR C C 13 173.294 0.011 . 1 . . . . 82 Y C . 15809 1 443 . 1 1 81 81 TYR CA C 13 56.299 0.004 . 1 . . . . 82 Y CA . 15809 1 444 . 1 1 81 81 TYR CB C 13 39.944 0.000 . 1 . . . . 82 Y CB . 15809 1 445 . 1 1 81 81 TYR N N 15 124.697 0.016 . 1 . . . . 82 Y N . 15809 1 446 . 1 1 82 82 ARG H H 1 8.888 0.000 . 1 . . . . 83 R HN . 15809 1 447 . 1 1 82 82 ARG C C 13 175.748 0.021 . 1 . . . . 83 R C . 15809 1 448 . 1 1 82 82 ARG CA C 13 58.088 0.000 . 1 . . . . 83 R CA . 15809 1 449 . 1 1 82 82 ARG N N 15 123.495 0.051 . 1 . . . . 83 R N . 15809 1 450 . 1 1 83 83 ASN H H 1 9.161 0.000 . 1 . . . . 84 N HN . 15809 1 451 . 1 1 83 83 ASN C C 13 177.332 0.000 . 1 . . . . 84 N C . 15809 1 452 . 1 1 83 83 ASN CA C 13 53.324 0.000 . 1 . . . . 84 N CA . 15809 1 453 . 1 1 83 83 ASN N N 15 118.960 0.000 . 1 . . . . 84 N N . 15809 1 454 . 1 1 84 84 THR H H 1 7.760 0.000 . 1 . . . . 85 T HN . 15809 1 455 . 1 1 84 84 THR C C 13 174.847 0.028 . 1 . . . . 85 T C . 15809 1 456 . 1 1 84 84 THR CA C 13 64.346 0.000 . 1 . . . . 85 T CA . 15809 1 457 . 1 1 84 84 THR CB C 13 69.594 0.000 . 1 . . . . 85 T CB . 15809 1 458 . 1 1 84 84 THR N N 15 116.503 0.000 . 1 . . . . 85 T N . 15809 1 459 . 1 1 85 85 GLU H H 1 8.640 0.000 . 1 . . . . 86 E HN . 15809 1 460 . 1 1 85 85 GLU C C 13 175.822 0.057 . 1 . . . . 86 E C . 15809 1 461 . 1 1 85 85 GLU CA C 13 56.998 0.000 . 1 . . . . 86 E CA . 15809 1 462 . 1 1 85 85 GLU CB C 13 31.201 0.000 . 1 . . . . 86 E CB . 15809 1 463 . 1 1 85 85 GLU N N 15 124.963 0.000 . 1 . . . . 86 E N . 15809 1 464 . 1 1 86 86 GLY H H 1 7.390 0.004 . 1 . . . . 87 G HN . 15809 1 465 . 1 1 86 86 GLY CA C 13 45.175 0.002 . 1 . . . . 87 G CA . 15809 1 466 . 1 1 86 86 GLY N N 15 104.176 0.038 . 1 . . . . 87 G N . 15809 1 467 . 1 1 87 87 VAL H H 1 8.799 0.008 . 1 . . . . 88 V HN . 15809 1 468 . 1 1 87 87 VAL HG11 H 1 -0.188 0.006 . 1 . . . . 88 V QG1 . 15809 1 469 . 1 1 87 87 VAL HG12 H 1 -0.188 0.006 . 1 . . . . 88 V QG1 . 15809 1 470 . 1 1 87 87 VAL HG13 H 1 -0.188 0.006 . 1 . . . . 88 V QG1 . 15809 1 471 . 1 1 87 87 VAL HG21 H 1 0.324 0.015 . 1 . . . . 88 V QG2 . 15809 1 472 . 1 1 87 87 VAL HG22 H 1 0.324 0.015 . 1 . . . . 88 V QG2 . 15809 1 473 . 1 1 87 87 VAL HG23 H 1 0.324 0.015 . 1 . . . . 88 V QG2 . 15809 1 474 . 1 1 87 87 VAL C C 13 173.001 0.007 . 1 . . . . 88 V C . 15809 1 475 . 1 1 87 87 VAL CA C 13 59.927 0.000 . 1 . . . . 88 V CA . 15809 1 476 . 1 1 87 87 VAL CB C 13 34.019 0.000 . 1 . . . . 88 V CB . 15809 1 477 . 1 1 87 87 VAL CG1 C 13 19.760 0.013 . 2 . . . . 88 V CG1 . 15809 1 478 . 1 1 87 87 VAL CG2 C 13 21.980 0.000 . 2 . . . . 88 V CG2 . 15809 1 479 . 1 1 87 87 VAL N N 15 124.158 0.082 . 1 . . . . 88 V N . 15809 1 480 . 1 1 88 88 ILE H H 1 9.068 0.000 . 1 . . . . 89 I HN . 15809 1 481 . 1 1 88 88 ILE HD11 H 1 0.583 0.001 . 1 . . . . 89 I QD1 . 15809 1 482 . 1 1 88 88 ILE HD12 H 1 0.583 0.001 . 1 . . . . 89 I QD1 . 15809 1 483 . 1 1 88 88 ILE HD13 H 1 0.583 0.001 . 1 . . . . 89 I QD1 . 15809 1 484 . 1 1 88 88 ILE HG21 H 1 0.448 0.000 . 1 . . . . 89 I QG2 . 15809 1 485 . 1 1 88 88 ILE HG22 H 1 0.448 0.000 . 1 . . . . 89 I QG2 . 15809 1 486 . 1 1 88 88 ILE HG23 H 1 0.448 0.000 . 1 . . . . 89 I QG2 . 15809 1 487 . 1 1 88 88 ILE C C 13 173.947 0.009 . 1 . . . . 89 I C . 15809 1 488 . 1 1 88 88 ILE CA C 13 58.363 0.000 . 1 . . . . 89 I CA . 15809 1 489 . 1 1 88 88 ILE CB C 13 38.119 0.000 . 1 . . . . 89 I CB . 15809 1 490 . 1 1 88 88 ILE CD1 C 13 13.943 0.046 . 1 . . . . 89 I CD1 . 15809 1 491 . 1 1 88 88 ILE CG1 C 13 25.945 0.000 . 1 . . . . 89 I CG1 . 15809 1 492 . 1 1 88 88 ILE CG2 C 13 16.203 0.000 . 1 . . . . 89 I CG2 . 15809 1 493 . 1 1 88 88 ILE N N 15 125.130 0.023 . 1 . . . . 89 I N . 15809 1 494 . 1 1 89 89 PHE H H 1 9.445 0.012 . 1 . . . . 90 F HN . 15809 1 495 . 1 1 89 89 PHE HA H 1 5.066 0.000 . 1 . . . . 90 F HA . 15809 1 496 . 1 1 89 89 PHE C C 13 174.827 0.024 . 1 . . . . 90 F C . 15809 1 497 . 1 1 89 89 PHE CA C 13 55.848 0.029 . 1 . . . . 90 F CA . 15809 1 498 . 1 1 89 89 PHE N N 15 107.053 0.024 . 1 . . . . 90 F N . 15809 1 499 . 1 1 90 90 VAL H H 1 8.452 0.013 . 1 . . . . 91 V HN . 15809 1 500 . 1 1 90 90 VAL HG11 H 1 0.712 0.008 . 1 . . . . 91 V QG1 . 15809 1 501 . 1 1 90 90 VAL HG12 H 1 0.712 0.008 . 1 . . . . 91 V QG1 . 15809 1 502 . 1 1 90 90 VAL HG13 H 1 0.712 0.008 . 1 . . . . 91 V QG1 . 15809 1 503 . 1 1 90 90 VAL HG21 H 1 0.909 0.005 . 1 . . . . 91 V QG2 . 15809 1 504 . 1 1 90 90 VAL HG22 H 1 0.909 0.005 . 1 . . . . 91 V QG2 . 15809 1 505 . 1 1 90 90 VAL HG23 H 1 0.909 0.005 . 1 . . . . 91 V QG2 . 15809 1 506 . 1 1 90 90 VAL C C 13 174.040 0.006 . 1 . . . . 91 V C . 15809 1 507 . 1 1 90 90 VAL CA C 13 61.424 0.003 . 1 . . . . 91 V CA . 15809 1 508 . 1 1 90 90 VAL CB C 13 32.162 0.003 . 1 . . . . 91 V CB . 15809 1 509 . 1 1 90 90 VAL CG1 C 13 21.458 0.028 . 2 . . . . 91 V CG1 . 15809 1 510 . 1 1 90 90 VAL CG2 C 13 23.076 0.057 . 2 . . . . 91 V CG2 . 15809 1 511 . 1 1 90 90 VAL N N 15 128.193 0.000 . 1 . . . . 91 V N . 15809 1 512 . 1 1 91 91 VAL H H 1 8.837 0.000 . 1 . . . . 92 V HN . 15809 1 513 . 1 1 91 91 VAL HA H 1 4.329 0.000 . 1 . . . . 92 V HA . 15809 1 514 . 1 1 91 91 VAL HG11 H 1 0.930 0.004 . 1 . . . . 92 V QG1 . 15809 1 515 . 1 1 91 91 VAL HG12 H 1 0.930 0.004 . 1 . . . . 92 V QG1 . 15809 1 516 . 1 1 91 91 VAL HG13 H 1 0.930 0.004 . 1 . . . . 92 V QG1 . 15809 1 517 . 1 1 91 91 VAL HG21 H 1 0.866 0.013 . 1 . . . . 92 V QG2 . 15809 1 518 . 1 1 91 91 VAL HG22 H 1 0.866 0.013 . 1 . . . . 92 V QG2 . 15809 1 519 . 1 1 91 91 VAL HG23 H 1 0.866 0.013 . 1 . . . . 92 V QG2 . 15809 1 520 . 1 1 91 91 VAL C C 13 173.805 0.013 . 1 . . . . 92 V C . 15809 1 521 . 1 1 91 91 VAL CA C 13 59.255 0.020 . 1 . . . . 92 V CA . 15809 1 522 . 1 1 91 91 VAL CB C 13 35.480 0.007 . 1 . . . . 92 V CB . 15809 1 523 . 1 1 91 91 VAL CG1 C 13 21.288 0.007 . 2 . . . . 92 V CG1 . 15809 1 524 . 1 1 91 91 VAL CG2 C 13 21.025 0.006 . 2 . . . . 92 V CG2 . 15809 1 525 . 1 1 91 91 VAL N N 15 121.758 0.000 . 1 . . . . 92 V N . 15809 1 526 . 1 1 92 92 ASP H H 1 9.081 0.005 . 1 . . . . 93 D HN . 15809 1 527 . 1 1 92 92 ASP HA H 1 4.281 0.000 . 1 . . . . 93 D HA . 15809 1 528 . 1 1 92 92 ASP C C 13 177.522 0.014 . 1 . . . . 93 D C . 15809 1 529 . 1 1 92 92 ASP CA C 13 53.047 0.004 . 1 . . . . 93 D CA . 15809 1 530 . 1 1 92 92 ASP CB C 13 40.134 0.000 . 1 . . . . 93 D CB . 15809 1 531 . 1 1 92 92 ASP N N 15 122.915 0.000 . 1 . . . . 93 D N . 15809 1 532 . 1 1 93 93 SER H H 1 8.457 0.006 . 1 . . . . 94 S HN . 15809 1 533 . 1 1 93 93 SER HB2 H 1 3.694 0.007 . 2 . . . . 94 S HB2 . 15809 1 534 . 1 1 93 93 SER HB3 H 1 4.107 0.020 . 2 . . . . 94 S HB3 . 15809 1 535 . 1 1 93 93 SER C C 13 172.722 0.026 . 1 . . . . 94 S C . 15809 1 536 . 1 1 93 93 SER CA C 13 60.828 0.000 . 1 . . . . 94 S CA . 15809 1 537 . 1 1 93 93 SER CB C 13 63.038 0.000 . 1 . . . . 94 S CB . 15809 1 538 . 1 1 93 93 SER N N 15 123.075 0.021 . 1 . . . . 94 S N . 15809 1 539 . 1 1 94 94 ASN H H 1 9.223 0.009 . 1 . . . . 95 N HN . 15809 1 540 . 1 1 94 94 ASN HA H 1 4.814 0.000 . 1 . . . . 95 N HA . 15809 1 541 . 1 1 94 94 ASN HD21 H 1 6.778 0.004 . 2 . . . . 95 N HD21 . 15809 1 542 . 1 1 94 94 ASN HD22 H 1 7.615 0.016 . 2 . . . . 95 N HD22 . 15809 1 543 . 1 1 94 94 ASN C C 13 174.260 0.026 . 1 . . . . 95 N C . 15809 1 544 . 1 1 94 94 ASN CA C 13 52.738 0.000 . 1 . . . . 95 N CA . 15809 1 545 . 1 1 94 94 ASN CB C 13 41.523 0.000 . 1 . . . . 95 N CB . 15809 1 546 . 1 1 94 94 ASN N N 15 117.595 0.013 . 1 . . . . 95 N N . 15809 1 547 . 1 1 94 94 ASN ND2 N 15 114.905 0.014 . 1 . . . . 95 N ND2 . 15809 1 548 . 1 1 95 95 ASP H H 1 6.899 0.003 . 1 . . . . 96 D HN . 15809 1 549 . 1 1 95 95 ASP HA H 1 4.849 0.000 . 1 . . . . 96 D HA . 15809 1 550 . 1 1 95 95 ASP C C 13 176.857 0.009 . 1 . . . . 96 D C . 15809 1 551 . 1 1 95 95 ASP CA C 13 51.526 0.000 . 1 . . . . 96 D CA . 15809 1 552 . 1 1 95 95 ASP CB C 13 38.727 0.000 . 1 . . . . 96 D CB . 15809 1 553 . 1 1 95 95 ASP N N 15 118.552 0.020 . 1 . . . . 96 D N . 15809 1 554 . 1 1 96 96 ARG H H 1 8.215 0.013 . 1 . . . . 97 R HN . 15809 1 555 . 1 1 96 96 ARG C C 13 178.461 0.033 . 1 . . . . 97 R C . 15809 1 556 . 1 1 96 96 ARG CA C 13 58.679 0.000 . 1 . . . . 97 R CA . 15809 1 557 . 1 1 96 96 ARG CB C 13 29.204 0.000 . 1 . . . . 97 R CB . 15809 1 558 . 1 1 96 96 ARG N N 15 124.633 0.014 . 1 . . . . 97 R N . 15809 1 559 . 1 1 97 97 SER H H 1 8.567 0.007 . 1 . . . . 98 S HN . 15809 1 560 . 1 1 97 97 SER HB2 H 1 4.003 0.009 . 2 . . . . 98 S QB . 15809 1 561 . 1 1 97 97 SER HB3 H 1 4.003 0.009 . 2 . . . . 98 S QB . 15809 1 562 . 1 1 97 97 SER C C 13 176.174 0.012 . 1 . . . . 98 S C . 15809 1 563 . 1 1 97 97 SER CA C 13 60.750 0.000 . 1 . . . . 98 S CA . 15809 1 564 . 1 1 97 97 SER CB C 13 62.620 0.000 . 1 . . . . 98 S CB . 15809 1 565 . 1 1 97 97 SER N N 15 115.510 0.073 . 1 . . . . 98 S N . 15809 1 566 . 1 1 98 98 ARG H H 1 7.172 0.007 . 1 . . . . 99 R HN . 15809 1 567 . 1 1 98 98 ARG HA H 1 4.852 0.000 . 1 . . . . 99 R HA . 15809 1 568 . 1 1 98 98 ARG C C 13 176.881 0.016 . 1 . . . . 99 R C . 15809 1 569 . 1 1 98 98 ARG CA C 13 56.021 0.000 . 1 . . . . 99 R CA . 15809 1 570 . 1 1 98 98 ARG CB C 13 30.734 0.000 . 1 . . . . 99 R CB . 15809 1 571 . 1 1 98 98 ARG N N 15 116.324 0.007 . 1 . . . . 99 R N . 15809 1 572 . 1 1 99 99 ILE H H 1 7.091 0.013 . 1 . . . . 100 I HN . 15809 1 573 . 1 1 99 99 ILE HD11 H 1 0.850 0.005 . 1 . . . . 100 I QD1 . 15809 1 574 . 1 1 99 99 ILE HD12 H 1 0.850 0.005 . 1 . . . . 100 I QD1 . 15809 1 575 . 1 1 99 99 ILE HD13 H 1 0.850 0.005 . 1 . . . . 100 I QD1 . 15809 1 576 . 1 1 99 99 ILE HG21 H 1 0.965 0.007 . 1 . . . . 100 I QG2 . 15809 1 577 . 1 1 99 99 ILE HG22 H 1 0.965 0.007 . 1 . . . . 100 I QG2 . 15809 1 578 . 1 1 99 99 ILE HG23 H 1 0.965 0.007 . 1 . . . . 100 I QG2 . 15809 1 579 . 1 1 99 99 ILE C C 13 175.952 0.046 . 1 . . . . 100 I C . 15809 1 580 . 1 1 99 99 ILE CA C 13 61.100 0.010 . 1 . . . . 100 I CA . 15809 1 581 . 1 1 99 99 ILE CB C 13 36.819 0.009 . 1 . . . . 100 I CB . 15809 1 582 . 1 1 99 99 ILE CD1 C 13 13.712 0.031 . 1 . . . . 100 I CD1 . 15809 1 583 . 1 1 99 99 ILE CG1 C 13 29.046 0.000 . 1 . . . . 100 I CG1 . 15809 1 584 . 1 1 99 99 ILE CG2 C 13 18.283 0.122 . 1 . . . . 100 I CG2 . 15809 1 585 . 1 1 99 99 ILE N N 15 121.156 0.011 . 1 . . . . 100 I N . 15809 1 586 . 1 1 100 100 GLY H H 1 8.545 0.007 . 1 . . . . 101 G HN . 15809 1 587 . 1 1 100 100 GLY HA2 H 1 3.856 0.000 . 2 . . . . 101 G QA . 15809 1 588 . 1 1 100 100 GLY HA3 H 1 3.856 0.000 . 2 . . . . 101 G QA . 15809 1 589 . 1 1 100 100 GLY C C 13 176.237 0.012 . 1 . . . . 101 G C . 15809 1 590 . 1 1 100 100 GLY CA C 13 46.589 0.000 . 1 . . . . 101 G CA . 15809 1 591 . 1 1 100 100 GLY N N 15 111.116 0.024 . 1 . . . . 101 G N . 15809 1 592 . 1 1 101 101 GLU H H 1 7.645 0.014 . 1 . . . . 102 E HN . 15809 1 593 . 1 1 101 101 GLU HA H 1 4.187 0.000 . 1 . . . . 102 E HA . 15809 1 594 . 1 1 101 101 GLU C C 13 176.987 0.030 . 1 . . . . 102 E C . 15809 1 595 . 1 1 101 101 GLU CA C 13 58.401 0.034 . 1 . . . . 102 E CA . 15809 1 596 . 1 1 101 101 GLU CB C 13 28.858 0.000 . 1 . . . . 102 E CB . 15809 1 597 . 1 1 101 101 GLU N N 15 125.353 0.018 . 1 . . . . 102 E N . 15809 1 598 . 1 1 102 102 ALA H H 1 8.089 0.017 . 1 . . . . 103 A HN . 15809 1 599 . 1 1 102 102 ALA HB1 H 1 1.639 0.007 . 1 . . . . 103 A QB . 15809 1 600 . 1 1 102 102 ALA HB2 H 1 1.639 0.007 . 1 . . . . 103 A QB . 15809 1 601 . 1 1 102 102 ALA HB3 H 1 1.639 0.007 . 1 . . . . 103 A QB . 15809 1 602 . 1 1 102 102 ALA C C 13 178.549 0.014 . 1 . . . . 103 A C . 15809 1 603 . 1 1 102 102 ALA CA C 13 55.161 0.000 . 1 . . . . 103 A CA . 15809 1 604 . 1 1 102 102 ALA CB C 13 17.074 0.021 . 1 . . . . 103 A CB . 15809 1 605 . 1 1 102 102 ALA N N 15 121.331 0.052 . 1 . . . . 103 A N . 15809 1 606 . 1 1 103 103 ARG H H 1 8.221 0.006 . 1 . . . . 104 R HN . 15809 1 607 . 1 1 103 103 ARG C C 13 177.557 0.035 . 1 . . . . 104 R C . 15809 1 608 . 1 1 103 103 ARG CA C 13 59.695 0.000 . 1 . . . . 104 R CA . 15809 1 609 . 1 1 103 103 ARG CB C 13 28.540 0.000 . 1 . . . . 104 R CB . 15809 1 610 . 1 1 103 103 ARG N N 15 117.038 0.017 . 1 . . . . 104 R N . 15809 1 611 . 1 1 104 104 GLU H H 1 7.916 0.012 . 1 . . . . 105 E HN . 15809 1 612 . 1 1 104 104 GLU HG2 H 1 2.250 0.004 . 2 . . . . 105 E QG . 15809 1 613 . 1 1 104 104 GLU HG3 H 1 2.250 0.004 . 2 . . . . 105 E QG . 15809 1 614 . 1 1 104 104 GLU C C 13 179.883 0.020 . 1 . . . . 105 E C . 15809 1 615 . 1 1 104 104 GLU CA C 13 59.843 0.000 . 1 . . . . 105 E CA . 15809 1 616 . 1 1 104 104 GLU CB C 13 28.785 0.000 . 1 . . . . 105 E CB . 15809 1 617 . 1 1 104 104 GLU N N 15 118.246 0.010 . 1 . . . . 105 E N . 15809 1 618 . 1 1 105 105 VAL H H 1 8.166 0.010 . 1 . . . . 106 V HN . 15809 1 619 . 1 1 105 105 VAL HG11 H 1 1.204 0.005 . 1 . . . . 106 V QG1 . 15809 1 620 . 1 1 105 105 VAL HG12 H 1 1.204 0.005 . 1 . . . . 106 V QG1 . 15809 1 621 . 1 1 105 105 VAL HG13 H 1 1.204 0.005 . 1 . . . . 106 V QG1 . 15809 1 622 . 1 1 105 105 VAL HG21 H 1 1.181 0.014 . 1 . . . . 106 V QG2 . 15809 1 623 . 1 1 105 105 VAL HG22 H 1 1.181 0.014 . 1 . . . . 106 V QG2 . 15809 1 624 . 1 1 105 105 VAL HG23 H 1 1.181 0.014 . 1 . . . . 106 V QG2 . 15809 1 625 . 1 1 105 105 VAL C C 13 178.031 0.018 . 1 . . . . 106 V C . 15809 1 626 . 1 1 105 105 VAL CA C 13 65.701 0.005 . 1 . . . . 106 V CA . 15809 1 627 . 1 1 105 105 VAL CB C 13 31.489 0.019 . 1 . . . . 106 V CB . 15809 1 628 . 1 1 105 105 VAL CG1 C 13 22.544 0.023 . 2 . . . . 106 V CG1 . 15809 1 629 . 1 1 105 105 VAL CG2 C 13 21.568 0.024 . 2 . . . . 106 V CG2 . 15809 1 630 . 1 1 105 105 VAL N N 15 118.033 0.024 . 1 . . . . 106 V N . 15809 1 631 . 1 1 106 106 MET H H 1 8.626 0.009 . 1 . . . . 107 M HN . 15809 1 632 . 1 1 106 106 MET HE1 H 1 1.377 0.005 . 1 . . . . 107 M QE . 15809 1 633 . 1 1 106 106 MET HE2 H 1 1.377 0.005 . 1 . . . . 107 M QE . 15809 1 634 . 1 1 106 106 MET HE3 H 1 1.377 0.005 . 1 . . . . 107 M QE . 15809 1 635 . 1 1 106 106 MET C C 13 178.148 0.013 . 1 . . . . 107 M C . 15809 1 636 . 1 1 106 106 MET CA C 13 59.421 0.000 . 1 . . . . 107 M CA . 15809 1 637 . 1 1 106 106 MET CB C 13 31.445 0.000 . 1 . . . . 107 M CB . 15809 1 638 . 1 1 106 106 MET CE C 13 17.337 0.026 . 1 . . . . 107 M CE . 15809 1 639 . 1 1 106 106 MET N N 15 121.235 0.019 . 1 . . . . 107 M N . 15809 1 640 . 1 1 107 107 GLN H H 1 8.654 0.005 . 1 . . . . 108 Q HN . 15809 1 641 . 1 1 107 107 GLN HE21 H 1 6.345 0.013 . 2 . . . . 108 Q HE21 . 15809 1 642 . 1 1 107 107 GLN HE22 H 1 7.227 0.005 . 2 . . . . 108 Q HE22 . 15809 1 643 . 1 1 107 107 GLN HG2 H 1 2.287 0.004 . 2 . . . . 108 Q QG . 15809 1 644 . 1 1 107 107 GLN HG3 H 1 2.287 0.004 . 2 . . . . 108 Q QG . 15809 1 645 . 1 1 107 107 GLN C C 13 178.402 0.024 . 1 . . . . 108 Q C . 15809 1 646 . 1 1 107 107 GLN CA C 13 58.444 0.000 . 1 . . . . 108 Q CA . 15809 1 647 . 1 1 107 107 GLN CB C 13 26.783 0.000 . 1 . . . . 108 Q CB . 15809 1 648 . 1 1 107 107 GLN N N 15 115.523 0.011 . 1 . . . . 108 Q N . 15809 1 649 . 1 1 107 107 GLN NE2 N 15 111.151 0.049 . 1 . . . . 108 Q NE2 . 15809 1 650 . 1 1 108 108 ARG H H 1 7.500 0.008 . 1 . . . . 109 R HN . 15809 1 651 . 1 1 108 108 ARG HA H 1 4.143 0.000 . 1 . . . . 109 R HA . 15809 1 652 . 1 1 108 108 ARG C C 13 180.324 0.026 . 1 . . . . 109 R C . 15809 1 653 . 1 1 108 108 ARG CA C 13 59.129 0.019 . 1 . . . . 109 R CA . 15809 1 654 . 1 1 108 108 ARG N N 15 118.076 0.022 . 1 . . . . 109 R N . 15809 1 655 . 1 1 109 109 MET H H 1 8.068 0.016 . 1 . . . . 110 M HN . 15809 1 656 . 1 1 109 109 MET HE1 H 1 1.969 0.004 . 1 . . . . 110 M QE . 15809 1 657 . 1 1 109 109 MET HE2 H 1 1.969 0.004 . 1 . . . . 110 M QE . 15809 1 658 . 1 1 109 109 MET HE3 H 1 1.969 0.004 . 1 . . . . 110 M QE . 15809 1 659 . 1 1 109 109 MET C C 13 178.518 0.040 . 1 . . . . 110 M C . 15809 1 660 . 1 1 109 109 MET CA C 13 59.446 0.000 . 1 . . . . 110 M CA . 15809 1 661 . 1 1 109 109 MET CE C 13 16.541 0.026 . 1 . . . . 110 M CE . 15809 1 662 . 1 1 109 109 MET N N 15 119.273 0.020 . 1 . . . . 110 M N . 15809 1 663 . 1 1 110 110 LEU H H 1 8.286 0.011 . 1 . . . . 111 L HN . 15809 1 664 . 1 1 110 110 LEU HD11 H 1 -0.792 0.007 . 1 . . . . 111 L QD1 . 15809 1 665 . 1 1 110 110 LEU HD12 H 1 -0.792 0.007 . 1 . . . . 111 L QD1 . 15809 1 666 . 1 1 110 110 LEU HD13 H 1 -0.792 0.007 . 1 . . . . 111 L QD1 . 15809 1 667 . 1 1 110 110 LEU HD21 H 1 0.059 0.008 . 1 . . . . 111 L QD2 . 15809 1 668 . 1 1 110 110 LEU HD22 H 1 0.059 0.008 . 1 . . . . 111 L QD2 . 15809 1 669 . 1 1 110 110 LEU HD23 H 1 0.059 0.008 . 1 . . . . 111 L QD2 . 15809 1 670 . 1 1 110 110 LEU C C 13 177.447 0.044 . 1 . . . . 111 L C . 15809 1 671 . 1 1 110 110 LEU CA C 13 56.473 0.004 . 1 . . . . 111 L CA . 15809 1 672 . 1 1 110 110 LEU CB C 13 41.234 0.002 . 1 . . . . 111 L CB . 15809 1 673 . 1 1 110 110 LEU CD1 C 13 20.685 0.018 . 2 . . . . 111 L CD1 . 15809 1 674 . 1 1 110 110 LEU CD2 C 13 25.620 0.062 . 2 . . . . 111 L CD2 . 15809 1 675 . 1 1 110 110 LEU N N 15 118.950 0.024 . 1 . . . . 111 L N . 15809 1 676 . 1 1 111 111 ASN H H 1 7.152 0.006 . 1 . . . . 112 N HN . 15809 1 677 . 1 1 111 111 ASN HA H 1 4.766 0.000 . 1 . . . . 112 N HA . 15809 1 678 . 1 1 111 111 ASN HB2 H 1 2.615 0.000 . 2 . . . . 112 N HB2 . 15809 1 679 . 1 1 111 111 ASN HB3 H 1 2.970 0.000 . 2 . . . . 112 N HB3 . 15809 1 680 . 1 1 111 111 ASN HD21 H 1 6.834 0.000 . 2 . . . . 112 N HD21 . 15809 1 681 . 1 1 111 111 ASN C C 13 175.263 0.006 . 1 . . . . 112 N C . 15809 1 682 . 1 1 111 111 ASN CA C 13 52.464 0.000 . 1 . . . . 112 N CA . 15809 1 683 . 1 1 111 111 ASN CB C 13 39.500 0.000 . 1 . . . . 112 N CB . 15809 1 684 . 1 1 111 111 ASN N N 15 114.937 0.030 . 1 . . . . 112 N N . 15809 1 685 . 1 1 112 112 GLU H H 1 7.359 0.004 . 1 . . . . 113 E HN . 15809 1 686 . 1 1 112 112 GLU HA H 1 4.515 0.000 . 1 . . . . 113 E HA . 15809 1 687 . 1 1 112 112 GLU C C 13 178.589 0.023 . 1 . . . . 113 E C . 15809 1 688 . 1 1 112 112 GLU CA C 13 55.708 0.000 . 1 . . . . 113 E CA . 15809 1 689 . 1 1 112 112 GLU CB C 13 28.298 0.000 . 1 . . . . 113 E CB . 15809 1 690 . 1 1 112 112 GLU N N 15 120.239 0.028 . 1 . . . . 113 E N . 15809 1 691 . 1 1 113 113 ASP H H 1 9.356 0.005 . 1 . . . . 114 D HN . 15809 1 692 . 1 1 113 113 ASP C C 13 179.248 0.019 . 1 . . . . 114 D C . 15809 1 693 . 1 1 113 113 ASP CA C 13 57.780 0.000 . 1 . . . . 114 D CA . 15809 1 694 . 1 1 113 113 ASP CB C 13 40.644 0.000 . 1 . . . . 114 D CB . 15809 1 695 . 1 1 113 113 ASP N N 15 130.002 0.065 . 1 . . . . 114 D N . 15809 1 696 . 1 1 114 114 GLU H H 1 9.729 0.006 . 1 . . . . 115 E HN . 15809 1 697 . 1 1 114 114 GLU C C 13 176.797 0.023 . 1 . . . . 115 E C . 15809 1 698 . 1 1 114 114 GLU CA C 13 58.561 0.000 . 1 . . . . 115 E CA . 15809 1 699 . 1 1 114 114 GLU CB C 13 29.690 0.000 . 1 . . . . 115 E CB . 15809 1 700 . 1 1 114 114 GLU N N 15 116.156 0.010 . 1 . . . . 115 E N . 15809 1 701 . 1 1 115 115 LEU H H 1 7.205 0.019 . 1 . . . . 116 L HN . 15809 1 702 . 1 1 115 115 LEU HA H 1 4.700 0.000 . 1 . . . . 116 L HA . 15809 1 703 . 1 1 115 115 LEU HD11 H 1 0.459 0.005 . 1 . . . . 116 L QD1 . 15809 1 704 . 1 1 115 115 LEU HD12 H 1 0.459 0.005 . 1 . . . . 116 L QD1 . 15809 1 705 . 1 1 115 115 LEU HD13 H 1 0.459 0.005 . 1 . . . . 116 L QD1 . 15809 1 706 . 1 1 115 115 LEU HD21 H 1 0.558 0.003 . 1 . . . . 116 L QD2 . 15809 1 707 . 1 1 115 115 LEU HD22 H 1 0.558 0.003 . 1 . . . . 116 L QD2 . 15809 1 708 . 1 1 115 115 LEU HD23 H 1 0.558 0.003 . 1 . . . . 116 L QD2 . 15809 1 709 . 1 1 115 115 LEU C C 13 178.422 0.029 . 1 . . . . 116 L C . 15809 1 710 . 1 1 115 115 LEU CA C 13 53.012 0.019 . 1 . . . . 116 L CA . 15809 1 711 . 1 1 115 115 LEU CB C 13 42.030 0.023 . 1 . . . . 116 L CB . 15809 1 712 . 1 1 115 115 LEU CD1 C 13 24.650 0.029 . 2 . . . . 116 L CD1 . 15809 1 713 . 1 1 115 115 LEU CD2 C 13 22.526 0.021 . 2 . . . . 116 L CD2 . 15809 1 714 . 1 1 115 115 LEU CG C 13 26.354 0.038 . 1 . . . . 116 L CG . 15809 1 715 . 1 1 115 115 LEU N N 15 114.257 0.024 . 1 . . . . 116 L N . 15809 1 716 . 1 1 116 116 ARG H H 1 7.362 0.009 . 1 . . . . 117 R HN . 15809 1 717 . 1 1 116 116 ARG C C 13 175.735 0.034 . 1 . . . . 117 R C . 15809 1 718 . 1 1 116 116 ARG CA C 13 58.952 0.000 . 1 . . . . 117 R CA . 15809 1 719 . 1 1 116 116 ARG CB C 13 29.541 0.000 . 1 . . . . 117 R CB . 15809 1 720 . 1 1 116 116 ARG N N 15 120.784 0.014 . 1 . . . . 117 R N . 15809 1 721 . 1 1 117 117 ASN H H 1 8.631 0.010 . 1 . . . . 118 N HN . 15809 1 722 . 1 1 117 117 ASN HD21 H 1 6.905 0.005 . 2 . . . . 118 N HD21 . 15809 1 723 . 1 1 117 117 ASN HD22 H 1 7.723 0.002 . 2 . . . . 118 N HD22 . 15809 1 724 . 1 1 117 117 ASN C C 13 174.949 0.019 . 1 . . . . 118 N C . 15809 1 725 . 1 1 117 117 ASN CA C 13 52.699 0.000 . 1 . . . . 118 N CA . 15809 1 726 . 1 1 117 117 ASN CB C 13 38.886 0.000 . 1 . . . . 118 N CB . 15809 1 727 . 1 1 117 117 ASN N N 15 114.362 0.013 . 1 . . . . 118 N N . 15809 1 728 . 1 1 118 118 ALA H H 1 7.399 0.000 . 1 . . . . 119 A HN . 15809 1 729 . 1 1 118 118 ALA HB1 H 1 1.071 0.011 . 1 . . . . 119 A QB . 15809 1 730 . 1 1 118 118 ALA HB2 H 1 1.071 0.011 . 1 . . . . 119 A QB . 15809 1 731 . 1 1 118 118 ALA HB3 H 1 1.071 0.011 . 1 . . . . 119 A QB . 15809 1 732 . 1 1 118 118 ALA C C 13 176.890 0.000 . 1 . . . . 119 A C . 15809 1 733 . 1 1 118 118 ALA CA C 13 52.152 0.000 . 1 . . . . 119 A CA . 15809 1 734 . 1 1 118 118 ALA CB C 13 18.233 0.000 . 1 . . . . 119 A CB . 15809 1 735 . 1 1 118 118 ALA N N 15 122.433 0.003 . 1 . . . . 119 A N . 15809 1 736 . 1 1 119 119 ALA H H 1 7.340 0.003 . 1 . . . . 120 A HN . 15809 1 737 . 1 1 119 119 ALA HB1 H 1 1.333 0.001 . 1 . . . . 120 A QB . 15809 1 738 . 1 1 119 119 ALA HB2 H 1 1.333 0.001 . 1 . . . . 120 A QB . 15809 1 739 . 1 1 119 119 ALA HB3 H 1 1.333 0.001 . 1 . . . . 120 A QB . 15809 1 740 . 1 1 119 119 ALA CA C 13 52.545 0.000 . 1 . . . . 120 A CA . 15809 1 741 . 1 1 119 119 ALA CB C 13 19.383 0.018 . 1 . . . . 120 A CB . 15809 1 742 . 1 1 119 119 ALA N N 15 123.958 0.023 . 1 . . . . 120 A N . 15809 1 743 . 1 1 120 120 TRP H H 1 8.685 0.015 . 1 . . . . 121 W HN . 15809 1 744 . 1 1 120 120 TRP HB2 H 1 3.032 0.000 . 2 . . . . 121 W QB . 15809 1 745 . 1 1 120 120 TRP HB3 H 1 3.032 0.000 . 2 . . . . 121 W QB . 15809 1 746 . 1 1 120 120 TRP CA C 13 57.665 0.050 . 1 . . . . 121 W CA . 15809 1 747 . 1 1 120 120 TRP N N 15 124.033 0.000 . 1 . . . . 121 W N . 15809 1 748 . 1 1 121 121 LEU H H 1 9.285 0.015 . 1 . . . . 122 L HN . 15809 1 749 . 1 1 121 121 LEU HD11 H 1 0.985 0.006 . 1 . . . . 122 L QD1 . 15809 1 750 . 1 1 121 121 LEU HD12 H 1 0.985 0.006 . 1 . . . . 122 L QD1 . 15809 1 751 . 1 1 121 121 LEU HD13 H 1 0.985 0.006 . 1 . . . . 122 L QD1 . 15809 1 752 . 1 1 121 121 LEU HD21 H 1 0.619 0.004 . 1 . . . . 122 L QD2 . 15809 1 753 . 1 1 121 121 LEU HD22 H 1 0.619 0.004 . 1 . . . . 122 L QD2 . 15809 1 754 . 1 1 121 121 LEU HD23 H 1 0.619 0.004 . 1 . . . . 122 L QD2 . 15809 1 755 . 1 1 121 121 LEU C C 13 174.035 0.033 . 1 . . . . 122 L C . 15809 1 756 . 1 1 121 121 LEU CA C 13 52.207 0.021 . 1 . . . . 122 L CA . 15809 1 757 . 1 1 121 121 LEU CB C 13 44.317 0.082 . 1 . . . . 122 L CB . 15809 1 758 . 1 1 121 121 LEU CD1 C 13 23.669 0.016 . 2 . . . . 122 L CD1 . 15809 1 759 . 1 1 121 121 LEU CD2 C 13 27.141 0.061 . 2 . . . . 122 L CD2 . 15809 1 760 . 1 1 121 121 LEU N N 15 127.540 0.019 . 1 . . . . 122 L N . 15809 1 761 . 1 1 122 122 VAL H H 1 9.298 0.007 . 1 . . . . 123 V HN . 15809 1 762 . 1 1 122 122 VAL HA H 1 5.265 0.000 . 1 . . . . 123 V HA . 15809 1 763 . 1 1 122 122 VAL HG11 H 1 0.859 0.006 . 1 . . . . 123 V QG1 . 15809 1 764 . 1 1 122 122 VAL HG12 H 1 0.859 0.006 . 1 . . . . 123 V QG1 . 15809 1 765 . 1 1 122 122 VAL HG13 H 1 0.859 0.006 . 1 . . . . 123 V QG1 . 15809 1 766 . 1 1 122 122 VAL HG21 H 1 1.032 0.010 . 1 . . . . 123 V QG2 . 15809 1 767 . 1 1 122 122 VAL HG22 H 1 1.032 0.010 . 1 . . . . 123 V QG2 . 15809 1 768 . 1 1 122 122 VAL HG23 H 1 1.032 0.010 . 1 . . . . 123 V QG2 . 15809 1 769 . 1 1 122 122 VAL C C 13 176.176 0.021 . 1 . . . . 123 V C . 15809 1 770 . 1 1 122 122 VAL CA C 13 59.643 0.001 . 1 . . . . 123 V CA . 15809 1 771 . 1 1 122 122 VAL CB C 13 32.880 0.007 . 1 . . . . 123 V CB . 15809 1 772 . 1 1 122 122 VAL CG1 C 13 20.262 0.021 . 2 . . . . 123 V CG1 . 15809 1 773 . 1 1 122 122 VAL CG2 C 13 21.659 0.024 . 2 . . . . 123 V CG2 . 15809 1 774 . 1 1 122 122 VAL N N 15 125.856 0.013 . 1 . . . . 123 V N . 15809 1 775 . 1 1 123 123 PHE H H 1 8.782 0.009 . 1 . . . . 124 F HN . 15809 1 776 . 1 1 123 123 PHE C C 13 174.691 0.011 . 1 . . . . 124 F C . 15809 1 777 . 1 1 123 123 PHE CA C 13 52.108 0.000 . 1 . . . . 124 F CA . 15809 1 778 . 1 1 123 123 PHE CB C 13 38.230 0.000 . 1 . . . . 124 F CB . 15809 1 779 . 1 1 123 123 PHE N N 15 124.952 0.000 . 1 . . . . 124 F N . 15809 1 780 . 1 1 124 124 ALA H H 1 8.705 0.012 . 1 . . . . 125 A HN . 15809 1 781 . 1 1 124 124 ALA HA H 1 4.504 0.000 . 1 . . . . 125 A HA . 15809 1 782 . 1 1 124 124 ALA HB1 H 1 1.115 0.005 . 1 . . . . 125 A QB . 15809 1 783 . 1 1 124 124 ALA HB2 H 1 1.115 0.005 . 1 . . . . 125 A QB . 15809 1 784 . 1 1 124 124 ALA HB3 H 1 1.115 0.005 . 1 . . . . 125 A QB . 15809 1 785 . 1 1 124 124 ALA C C 13 174.307 0.010 . 1 . . . . 125 A C . 15809 1 786 . 1 1 124 124 ALA CA C 13 49.689 0.000 . 1 . . . . 125 A CA . 15809 1 787 . 1 1 124 124 ALA CB C 13 16.090 0.027 . 1 . . . . 125 A CB . 15809 1 788 . 1 1 124 124 ALA N N 15 128.834 0.014 . 1 . . . . 125 A N . 15809 1 789 . 1 1 125 125 ASN H H 1 8.750 0.008 . 1 . . . . 126 N HN . 15809 1 790 . 1 1 125 125 ASN C C 13 177.039 0.016 . 1 . . . . 126 N C . 15809 1 791 . 1 1 125 125 ASN CA C 13 52.503 0.000 . 1 . . . . 126 N CA . 15809 1 792 . 1 1 125 125 ASN CB C 13 40.633 0.000 . 1 . . . . 126 N CB . 15809 1 793 . 1 1 125 125 ASN N N 15 121.197 0.018 . 1 . . . . 126 N N . 15809 1 794 . 1 1 126 126 LYS H H 1 7.654 0.009 . 1 . . . . 127 K HN . 15809 1 795 . 1 1 126 126 LYS C C 13 176.364 0.020 . 1 . . . . 127 K C . 15809 1 796 . 1 1 126 126 LYS CA C 13 56.881 0.000 . 1 . . . . 127 K CA . 15809 1 797 . 1 1 126 126 LYS CB C 13 28.037 0.000 . 1 . . . . 127 K CB . 15809 1 798 . 1 1 126 126 LYS N N 15 117.365 0.026 . 1 . . . . 127 K N . 15809 1 799 . 1 1 127 127 GLN H H 1 7.995 0.005 . 1 . . . . 128 Q HN . 15809 1 800 . 1 1 127 127 GLN HE21 H 1 6.895 0.012 . 1 . . . . 128 Q HE21 . 15809 1 801 . 1 1 127 127 GLN HE22 H 1 7.728 0.010 . 1 . . . . 128 Q HE22 . 15809 1 802 . 1 1 127 127 GLN C C 13 174.827 0.029 . 1 . . . . 128 Q C . 15809 1 803 . 1 1 127 127 GLN CA C 13 56.842 0.000 . 1 . . . . 128 Q CA . 15809 1 804 . 1 1 127 127 GLN CB C 13 27.666 0.000 . 1 . . . . 128 Q CB . 15809 1 805 . 1 1 127 127 GLN N N 15 113.055 0.027 . 1 . . . . 128 Q N . 15809 1 806 . 1 1 128 128 ASP H H 1 9.859 0.004 . 1 . . . . 129 D HN . 15809 1 807 . 1 1 128 128 ASP HA H 1 4.327 0.000 . 1 . . . . 129 D HA . 15809 1 808 . 1 1 128 128 ASP C C 13 176.664 0.011 . 1 . . . . 129 D C . 15809 1 809 . 1 1 128 128 ASP CA C 13 53.910 0.000 . 1 . . . . 129 D CA . 15809 1 810 . 1 1 128 128 ASP CB C 13 40.140 0.000 . 1 . . . . 129 D CB . 15809 1 811 . 1 1 128 128 ASP N N 15 114.332 0.048 . 1 . . . . 129 D N . 15809 1 812 . 1 1 129 129 LEU H H 1 7.327 0.005 . 1 . . . . 130 L HN . 15809 1 813 . 1 1 129 129 LEU HA H 1 4.559 0.000 . 1 . . . . 130 L HA . 15809 1 814 . 1 1 129 129 LEU HD11 H 1 0.838 0.005 . 1 . . . . 130 L QD1 . 15809 1 815 . 1 1 129 129 LEU HD12 H 1 0.838 0.005 . 1 . . . . 130 L QD1 . 15809 1 816 . 1 1 129 129 LEU HD13 H 1 0.838 0.005 . 1 . . . . 130 L QD1 . 15809 1 817 . 1 1 129 129 LEU HD21 H 1 0.907 0.002 . 1 . . . . 130 L QD2 . 15809 1 818 . 1 1 129 129 LEU HD22 H 1 0.907 0.002 . 1 . . . . 130 L QD2 . 15809 1 819 . 1 1 129 129 LEU HD23 H 1 0.907 0.002 . 1 . . . . 130 L QD2 . 15809 1 820 . 1 1 129 129 LEU CA C 13 52.696 0.021 . 1 . . . . 130 L CA . 15809 1 821 . 1 1 129 129 LEU CB C 13 38.566 0.016 . 1 . . . . 130 L CB . 15809 1 822 . 1 1 129 129 LEU CD1 C 13 22.015 0.039 . 2 . . . . 130 L CD1 . 15809 1 823 . 1 1 129 129 LEU CD2 C 13 26.331 0.051 . 2 . . . . 130 L CD2 . 15809 1 824 . 1 1 129 129 LEU N N 15 122.436 0.035 . 1 . . . . 130 L N . 15809 1 825 . 1 1 130 130 PRO C C 13 178.055 0.039 . 1 . . . . 131 P C . 15809 1 826 . 1 1 130 130 PRO CA C 13 64.580 0.000 . 1 . . . . 131 P CA . 15809 1 827 . 1 1 130 130 PRO CB C 13 31.358 0.000 . 1 . . . . 131 P CB . 15809 1 828 . 1 1 131 131 GLU H H 1 8.440 0.003 . 1 . . . . 132 E HN . 15809 1 829 . 1 1 131 131 GLU HA H 1 4.471 0.000 . 1 . . . . 132 E HA . 15809 1 830 . 1 1 131 131 GLU HG2 H 1 2.056 0.008 . 2 . . . . 132 E HG2 . 15809 1 831 . 1 1 131 131 GLU HG3 H 1 2.167 0.013 . 2 . . . . 132 E HG3 . 15809 1 832 . 1 1 131 131 GLU C C 13 176.177 0.027 . 1 . . . . 132 E C . 15809 1 833 . 1 1 131 131 GLU CA C 13 54.966 0.000 . 1 . . . . 132 E CA . 15809 1 834 . 1 1 131 131 GLU CB C 13 27.655 0.000 . 1 . . . . 132 E CB . 15809 1 835 . 1 1 131 131 GLU N N 15 115.104 0.017 . 1 . . . . 132 E N . 15809 1 836 . 1 1 132 132 ALA H H 1 7.308 0.005 . 1 . . . . 133 A HN . 15809 1 837 . 1 1 132 132 ALA HA H 1 3.815 0.000 . 1 . . . . 133 A HA . 15809 1 838 . 1 1 132 132 ALA HB1 H 1 1.201 0.010 . 1 . . . . 133 A QB . 15809 1 839 . 1 1 132 132 ALA HB2 H 1 1.201 0.010 . 1 . . . . 133 A QB . 15809 1 840 . 1 1 132 132 ALA HB3 H 1 1.201 0.010 . 1 . . . . 133 A QB . 15809 1 841 . 1 1 132 132 ALA C C 13 178.578 0.020 . 1 . . . . 133 A C . 15809 1 842 . 1 1 132 132 ALA CA C 13 53.006 0.006 . 1 . . . . 133 A CA . 15809 1 843 . 1 1 132 132 ALA CB C 13 17.970 0.012 . 1 . . . . 133 A CB . 15809 1 844 . 1 1 132 132 ALA N N 15 122.200 0.033 . 1 . . . . 133 A N . 15809 1 845 . 1 1 133 133 MET H H 1 8.266 0.009 . 1 . . . . 134 M HN . 15809 1 846 . 1 1 133 133 MET HE1 H 1 1.761 0.009 . 1 . . . . 134 M QE . 15809 1 847 . 1 1 133 133 MET HE2 H 1 1.761 0.009 . 1 . . . . 134 M QE . 15809 1 848 . 1 1 133 133 MET HE3 H 1 1.761 0.009 . 1 . . . . 134 M QE . 15809 1 849 . 1 1 133 133 MET C C 13 175.105 0.016 . 1 . . . . 134 M C . 15809 1 850 . 1 1 133 133 MET CA C 13 56.295 0.000 . 1 . . . . 134 M CA . 15809 1 851 . 1 1 133 133 MET CB C 13 35.368 0.000 . 1 . . . . 134 M CB . 15809 1 852 . 1 1 133 133 MET CE C 13 16.924 0.016 . 1 . . . . 134 M CE . 15809 1 853 . 1 1 133 133 MET N N 15 122.093 0.021 . 1 . . . . 134 M N . 15809 1 854 . 1 1 134 134 SER H H 1 8.771 0.007 . 1 . . . . 135 S HN . 15809 1 855 . 1 1 134 134 SER HA H 1 4.528 0.000 . 1 . . . . 135 S HA . 15809 1 856 . 1 1 134 134 SER C C 13 175.170 0.016 . 1 . . . . 135 S C . 15809 1 857 . 1 1 134 134 SER CA C 13 56.842 0.000 . 1 . . . . 135 S CA . 15809 1 858 . 1 1 134 134 SER CB C 13 65.038 0.000 . 1 . . . . 135 S CB . 15809 1 859 . 1 1 134 134 SER N N 15 116.459 0.040 . 1 . . . . 135 S N . 15809 1 860 . 1 1 135 135 ALA H H 1 9.286 0.005 . 1 . . . . 136 A HN . 15809 1 861 . 1 1 135 135 ALA HB1 H 1 1.251 0.007 . 1 . . . . 136 A QB . 15809 1 862 . 1 1 135 135 ALA HB2 H 1 1.251 0.007 . 1 . . . . 136 A QB . 15809 1 863 . 1 1 135 135 ALA HB3 H 1 1.251 0.007 . 1 . . . . 136 A QB . 15809 1 864 . 1 1 135 135 ALA C C 13 180.691 0.040 . 1 . . . . 136 A C . 15809 1 865 . 1 1 135 135 ALA CA C 13 55.200 0.000 . 1 . . . . 136 A CA . 15809 1 866 . 1 1 135 135 ALA CB C 13 16.843 0.024 . 1 . . . . 136 A CB . 15809 1 867 . 1 1 135 135 ALA N N 15 122.105 0.019 . 1 . . . . 136 A N . 15809 1 868 . 1 1 136 136 ALA H H 1 8.597 0.005 . 1 . . . . 137 A HN . 15809 1 869 . 1 1 136 136 ALA HB1 H 1 1.412 0.006 . 1 . . . . 137 A QB . 15809 1 870 . 1 1 136 136 ALA HB2 H 1 1.412 0.006 . 1 . . . . 137 A QB . 15809 1 871 . 1 1 136 136 ALA HB3 H 1 1.412 0.006 . 1 . . . . 137 A QB . 15809 1 872 . 1 1 136 136 ALA C C 13 180.149 0.028 . 1 . . . . 137 A C . 15809 1 873 . 1 1 136 136 ALA CA C 13 55.317 0.000 . 1 . . . . 137 A CA . 15809 1 874 . 1 1 136 136 ALA CB C 13 17.643 0.033 . 1 . . . . 137 A CB . 15809 1 875 . 1 1 136 136 ALA N N 15 122.567 0.010 . 1 . . . . 137 A N . 15809 1 876 . 1 1 137 137 GLU H H 1 8.021 0.011 . 1 . . . . 138 E HN . 15809 1 877 . 1 1 137 137 GLU HA H 1 4.139 0.000 . 1 . . . . 138 E HA . 15809 1 878 . 1 1 137 137 GLU C C 13 179.193 0.052 . 1 . . . . 138 E C . 15809 1 879 . 1 1 137 137 GLU CA C 13 58.930 0.018 . 1 . . . . 138 E CA . 15809 1 880 . 1 1 137 137 GLU CB C 13 28.962 0.000 . 1 . . . . 138 E CB . 15809 1 881 . 1 1 137 137 GLU N N 15 122.302 0.021 . 1 . . . . 138 E N . 15809 1 882 . 1 1 138 138 ILE H H 1 8.577 0.011 . 1 . . . . 139 I HN . 15809 1 883 . 1 1 138 138 ILE HD11 H 1 0.731 0.004 . 1 . . . . 139 I QD1 . 15809 1 884 . 1 1 138 138 ILE HD12 H 1 0.731 0.004 . 1 . . . . 139 I QD1 . 15809 1 885 . 1 1 138 138 ILE HD13 H 1 0.731 0.004 . 1 . . . . 139 I QD1 . 15809 1 886 . 1 1 138 138 ILE HG21 H 1 0.751 0.000 . 1 . . . . 139 I QG2 . 15809 1 887 . 1 1 138 138 ILE HG22 H 1 0.751 0.000 . 1 . . . . 139 I QG2 . 15809 1 888 . 1 1 138 138 ILE HG23 H 1 0.751 0.000 . 1 . . . . 139 I QG2 . 15809 1 889 . 1 1 138 138 ILE C C 13 177.044 0.036 . 1 . . . . 139 I C . 15809 1 890 . 1 1 138 138 ILE CA C 13 64.143 0.000 . 1 . . . . 139 I CA . 15809 1 891 . 1 1 138 138 ILE CB C 13 36.020 0.000 . 1 . . . . 139 I CB . 15809 1 892 . 1 1 138 138 ILE CD1 C 13 13.246 0.015 . 1 . . . . 139 I CD1 . 15809 1 893 . 1 1 138 138 ILE CG1 C 13 28.429 0.000 . 1 . . . . 139 I CG1 . 15809 1 894 . 1 1 138 138 ILE CG2 C 13 18.029 0.000 . 1 . . . . 139 I CG2 . 15809 1 895 . 1 1 138 138 ILE N N 15 120.151 0.029 . 1 . . . . 139 I N . 15809 1 896 . 1 1 139 139 THR H H 1 8.262 0.011 . 1 . . . . 140 T HN . 15809 1 897 . 1 1 139 139 THR C C 13 176.349 0.086 . 1 . . . . 140 T C . 15809 1 898 . 1 1 139 139 THR CA C 13 67.170 0.029 . 1 . . . . 140 T CA . 15809 1 899 . 1 1 139 139 THR CB C 13 68.185 0.000 . 1 . . . . 140 T CB . 15809 1 900 . 1 1 139 139 THR N N 15 116.702 0.013 . 1 . . . . 140 T N . 15809 1 901 . 1 1 140 140 GLU H H 1 7.281 0.010 . 1 . . . . 141 E HN . 15809 1 902 . 1 1 140 140 GLU HA H 1 4.087 0.000 . 1 . . . . 141 E HA . 15809 1 903 . 1 1 140 140 GLU C C 13 179.576 0.013 . 1 . . . . 141 E C . 15809 1 904 . 1 1 140 140 GLU CA C 13 58.796 0.000 . 1 . . . . 141 E CA . 15809 1 905 . 1 1 140 140 GLU CB C 13 28.854 0.000 . 1 . . . . 141 E CB . 15809 1 906 . 1 1 140 140 GLU N N 15 120.659 0.022 . 1 . . . . 141 E N . 15809 1 907 . 1 1 141 141 LYS H H 1 8.638 0.005 . 1 . . . . 142 K HN . 15809 1 908 . 1 1 141 141 LYS C C 13 178.987 0.016 . 1 . . . . 142 K C . 15809 1 909 . 1 1 141 141 LYS CA C 13 58.561 0.000 . 1 . . . . 142 K CA . 15809 1 910 . 1 1 141 141 LYS CB C 13 32.410 0.000 . 1 . . . . 142 K CB . 15809 1 911 . 1 1 141 141 LYS N N 15 119.210 0.020 . 1 . . . . 142 K N . 15809 1 912 . 1 1 142 142 LEU H H 1 8.346 0.006 . 1 . . . . 143 L HN . 15809 1 913 . 1 1 142 142 LEU HA H 1 4.118 0.000 . 1 . . . . 143 L HA . 15809 1 914 . 1 1 142 142 LEU HD11 H 1 0.646 0.009 . 1 . . . . 143 L QD1 . 15809 1 915 . 1 1 142 142 LEU HD12 H 1 0.646 0.009 . 1 . . . . 143 L QD1 . 15809 1 916 . 1 1 142 142 LEU HD13 H 1 0.646 0.009 . 1 . . . . 143 L QD1 . 15809 1 917 . 1 1 142 142 LEU HD21 H 1 0.673 0.003 . 1 . . . . 143 L QD2 . 15809 1 918 . 1 1 142 142 LEU HD22 H 1 0.673 0.003 . 1 . . . . 143 L QD2 . 15809 1 919 . 1 1 142 142 LEU HD23 H 1 0.673 0.003 . 1 . . . . 143 L QD2 . 15809 1 920 . 1 1 142 142 LEU C C 13 176.421 0.017 . 1 . . . . 143 L C . 15809 1 921 . 1 1 142 142 LEU CA C 13 54.454 0.003 . 1 . . . . 143 L CA . 15809 1 922 . 1 1 142 142 LEU CB C 13 41.385 0.026 . 1 . . . . 143 L CB . 15809 1 923 . 1 1 142 142 LEU CD1 C 13 21.490 0.037 . 2 . . . . 143 L CD1 . 15809 1 924 . 1 1 142 142 LEU CD2 C 13 26.812 0.006 . 2 . . . . 143 L CD2 . 15809 1 925 . 1 1 142 142 LEU CG C 13 26.608 0.000 . 1 . . . . 143 L CG . 15809 1 926 . 1 1 142 142 LEU N N 15 114.159 0.022 . 1 . . . . 143 L N . 15809 1 927 . 1 1 143 143 GLY H H 1 7.416 0.001 . 1 . . . . 144 G HN . 15809 1 928 . 1 1 143 143 GLY HA2 H 1 3.867 0.000 . 2 . . . . 144 G QA . 15809 1 929 . 1 1 143 143 GLY HA3 H 1 3.867 0.000 . 2 . . . . 144 G QA . 15809 1 930 . 1 1 143 143 GLY C C 13 177.067 0.059 . 1 . . . . 144 G C . 15809 1 931 . 1 1 143 143 GLY CA C 13 46.307 0.000 . 1 . . . . 144 G CA . 15809 1 932 . 1 1 143 143 GLY N N 15 106.376 0.027 . 1 . . . . 144 G N . 15809 1 933 . 1 1 144 144 LEU H H 1 7.365 0.004 . 1 . . . . 145 L HN . 15809 1 934 . 1 1 144 144 LEU HD11 H 1 0.151 0.007 . 1 . . . . 145 L QD1 . 15809 1 935 . 1 1 144 144 LEU HD12 H 1 0.151 0.007 . 1 . . . . 145 L QD1 . 15809 1 936 . 1 1 144 144 LEU HD13 H 1 0.151 0.007 . 1 . . . . 145 L QD1 . 15809 1 937 . 1 1 144 144 LEU HD21 H 1 0.590 0.002 . 1 . . . . 145 L QD2 . 15809 1 938 . 1 1 144 144 LEU HD22 H 1 0.590 0.002 . 1 . . . . 145 L QD2 . 15809 1 939 . 1 1 144 144 LEU HD23 H 1 0.590 0.002 . 1 . . . . 145 L QD2 . 15809 1 940 . 1 1 144 144 LEU C C 13 176.716 0.094 . 1 . . . . 145 L C . 15809 1 941 . 1 1 144 144 LEU CA C 13 56.387 0.010 . 1 . . . . 145 L CA . 15809 1 942 . 1 1 144 144 LEU CB C 13 37.706 0.042 . 1 . . . . 145 L CB . 15809 1 943 . 1 1 144 144 LEU CD1 C 13 22.744 0.017 . 2 . . . . 145 L CD1 . 15809 1 944 . 1 1 144 144 LEU CD2 C 13 26.497 0.034 . 2 . . . . 145 L CD2 . 15809 1 945 . 1 1 144 144 LEU N N 15 116.715 0.040 . 1 . . . . 145 L N . 15809 1 946 . 1 1 145 145 HIS H H 1 7.942 0.006 . 1 . . . . 146 H HN . 15809 1 947 . 1 1 145 145 HIS HA H 1 4.456 0.000 . 1 . . . . 146 H HA . 15809 1 948 . 1 1 145 145 HIS C C 13 176.842 0.040 . 1 . . . . 146 H C . 15809 1 949 . 1 1 145 145 HIS CA C 13 58.366 0.000 . 1 . . . . 146 H CA . 15809 1 950 . 1 1 145 145 HIS CB C 13 29.144 0.000 . 1 . . . . 146 H CB . 15809 1 951 . 1 1 145 145 HIS N N 15 111.170 0.007 . 1 . . . . 146 H N . 15809 1 952 . 1 1 146 146 SER H H 1 7.361 0.002 . 1 . . . . 147 S HN . 15809 1 953 . 1 1 146 146 SER HA H 1 4.325 0.000 . 1 . . . . 147 S HA . 15809 1 954 . 1 1 146 146 SER HB2 H 1 3.804 0.003 . 2 . . . . 147 S QB . 15809 1 955 . 1 1 146 146 SER HB3 H 1 3.804 0.003 . 2 . . . . 147 S QB . 15809 1 956 . 1 1 146 146 SER C C 13 174.000 0.031 . 1 . . . . 147 S C . 15809 1 957 . 1 1 146 146 SER CA C 13 58.679 0.000 . 1 . . . . 147 S CA . 15809 1 958 . 1 1 146 146 SER CB C 13 63.143 0.000 . 1 . . . . 147 S CB . 15809 1 959 . 1 1 146 146 SER N N 15 113.044 0.033 . 1 . . . . 147 S N . 15809 1 960 . 1 1 147 147 ILE H H 1 7.467 0.012 . 1 . . . . 148 I HN . 15809 1 961 . 1 1 147 147 ILE HA H 1 3.731 0.000 . 1 . . . . 148 I HA . 15809 1 962 . 1 1 147 147 ILE HD11 H 1 0.047 0.005 . 1 . . . . 148 I QD1 . 15809 1 963 . 1 1 147 147 ILE HD12 H 1 0.047 0.005 . 1 . . . . 148 I QD1 . 15809 1 964 . 1 1 147 147 ILE HD13 H 1 0.047 0.005 . 1 . . . . 148 I QD1 . 15809 1 965 . 1 1 147 147 ILE HG21 H 1 0.684 0.006 . 1 . . . . 148 I QG2 . 15809 1 966 . 1 1 147 147 ILE HG22 H 1 0.684 0.006 . 1 . . . . 148 I QG2 . 15809 1 967 . 1 1 147 147 ILE HG23 H 1 0.684 0.006 . 1 . . . . 148 I QG2 . 15809 1 968 . 1 1 147 147 ILE C C 13 175.953 0.018 . 1 . . . . 148 I C . 15809 1 969 . 1 1 147 147 ILE CA C 13 62.267 0.000 . 1 . . . . 148 I CA . 15809 1 970 . 1 1 147 147 ILE CB C 13 35.315 0.000 . 1 . . . . 148 I CB . 15809 1 971 . 1 1 147 147 ILE CD1 C 13 12.817 0.028 . 1 . . . . 148 I CD1 . 15809 1 972 . 1 1 147 147 ILE CG1 C 13 26.269 0.000 . 1 . . . . 148 I CG1 . 15809 1 973 . 1 1 147 147 ILE CG2 C 13 17.680 0.090 . 1 . . . . 148 I CG2 . 15809 1 974 . 1 1 147 147 ILE N N 15 123.763 0.004 . 1 . . . . 148 I N . 15809 1 975 . 1 1 148 148 ARG H H 1 8.553 0.000 . 1 . . . . 149 R HN . 15809 1 976 . 1 1 148 148 ARG CA C 13 54.849 0.000 . 1 . . . . 149 R CA . 15809 1 977 . 1 1 148 148 ARG N N 15 126.591 0.023 . 1 . . . . 149 R N . 15809 1 978 . 1 1 149 149 ASN C C 13 173.718 0.021 . 1 . . . . 150 N C . 15809 1 979 . 1 1 149 149 ASN CA C 13 53.754 0.000 . 1 . . . . 150 N CA . 15809 1 980 . 1 1 149 149 ASN CB C 13 37.463 0.000 . 1 . . . . 150 N CB . 15809 1 981 . 1 1 150 150 ARG H H 1 7.491 0.001 . 1 . . . . 151 R HN . 15809 1 982 . 1 1 150 150 ARG HA H 1 4.965 0.000 . 1 . . . . 151 R HA . 15809 1 983 . 1 1 150 150 ARG CA C 13 53.811 0.000 . 1 . . . . 151 R CA . 15809 1 984 . 1 1 150 150 ARG N N 15 116.154 0.007 . 1 . . . . 151 R N . 15809 1 985 . 1 1 151 151 PRO C C 13 176.044 0.010 . 1 . . . . 152 P C . 15809 1 986 . 1 1 151 151 PRO CA C 13 62.605 0.021 . 1 . . . . 152 P CA . 15809 1 987 . 1 1 151 151 PRO CB C 13 31.631 0.000 . 1 . . . . 152 P CB . 15809 1 988 . 1 1 152 152 TRP H H 1 8.104 0.002 . 1 . . . . 153 W HN . 15809 1 989 . 1 1 152 152 TRP HB2 H 1 3.059 0.001 . 2 . . . . 153 W HB2 . 15809 1 990 . 1 1 152 152 TRP HB3 H 1 3.335 0.009 . 2 . . . . 153 W HB3 . 15809 1 991 . 1 1 152 152 TRP HE1 H 1 10.007 0.009 . 1 . . . . 153 W HE1 . 15809 1 992 . 1 1 152 152 TRP C C 13 174.109 0.007 . 1 . . . . 153 W C . 15809 1 993 . 1 1 152 152 TRP CA C 13 54.774 0.004 . 1 . . . . 153 W CA . 15809 1 994 . 1 1 152 152 TRP CB C 13 32.667 0.000 . 1 . . . . 153 W CB . 15809 1 995 . 1 1 152 152 TRP N N 15 119.616 0.029 . 1 . . . . 153 W N . 15809 1 996 . 1 1 152 152 TRP NE1 N 15 129.820 0.062 . 1 . . . . 153 W NE1 . 15809 1 997 . 1 1 153 153 PHE H H 1 8.326 0.006 . 1 . . . . 154 F HN . 15809 1 998 . 1 1 153 153 PHE C C 13 172.520 0.031 . 1 . . . . 154 F C . 15809 1 999 . 1 1 153 153 PHE CA C 13 56.568 0.000 . 1 . . . . 154 F CA . 15809 1 1000 . 1 1 153 153 PHE CB C 13 40.482 0.000 . 1 . . . . 154 F CB . 15809 1 1001 . 1 1 153 153 PHE N N 15 121.965 0.030 . 1 . . . . 154 F N . 15809 1 1002 . 1 1 154 154 ILE H H 1 7.040 0.031 . 1 . . . . 155 I HN . 15809 1 1003 . 1 1 154 154 ILE HD11 H 1 0.751 0.004 . 1 . . . . 155 I QD1 . 15809 1 1004 . 1 1 154 154 ILE HD12 H 1 0.751 0.004 . 1 . . . . 155 I QD1 . 15809 1 1005 . 1 1 154 154 ILE HD13 H 1 0.751 0.004 . 1 . . . . 155 I QD1 . 15809 1 1006 . 1 1 154 154 ILE C C 13 170.311 0.037 . 1 . . . . 155 I C . 15809 1 1007 . 1 1 154 154 ILE CA C 13 57.317 0.000 . 1 . . . . 155 I CA . 15809 1 1008 . 1 1 154 154 ILE CB C 13 40.279 0.000 . 1 . . . . 155 I CB . 15809 1 1009 . 1 1 154 154 ILE CD1 C 13 14.898 0.041 . 1 . . . . 155 I CD1 . 15809 1 1010 . 1 1 154 154 ILE CG1 C 13 28.089 0.000 . 1 . . . . 155 I CG1 . 15809 1 1011 . 1 1 154 154 ILE N N 15 122.870 0.045 . 1 . . . . 155 I N . 15809 1 1012 . 1 1 155 155 GLN H H 1 8.896 0.004 . 1 . . . . 156 Q HN . 15809 1 1013 . 1 1 155 155 GLN HA H 1 4.449 0.000 . 1 . . . . 156 Q HA . 15809 1 1014 . 1 1 155 155 GLN HE21 H 1 6.824 0.000 . 1 . . . . 156 Q HE21 . 15809 1 1015 . 1 1 155 155 GLN HE22 H 1 7.668 0.009 . 2 . . . . 156 Q HE22 . 15809 1 1016 . 1 1 155 155 GLN C C 13 174.886 0.010 . 1 . . . . 156 Q C . 15809 1 1017 . 1 1 155 155 GLN CA C 13 51.995 0.000 . 1 . . . . 156 Q CA . 15809 1 1018 . 1 1 155 155 GLN CB C 13 32.307 0.000 . 1 . . . . 156 Q CB . 15809 1 1019 . 1 1 155 155 GLN N N 15 126.258 0.000 . 1 . . . . 156 Q N . 15809 1 1020 . 1 1 155 155 GLN NE2 N 15 112.757 0.010 . 1 . . . . 156 Q NE2 . 15809 1 1021 . 1 1 156 156 ALA H H 1 8.914 0.007 . 1 . . . . 157 A HN . 15809 1 1022 . 1 1 156 156 ALA HB1 H 1 1.334 0.006 . 1 . . . . 157 A QB . 15809 1 1023 . 1 1 156 156 ALA HB2 H 1 1.334 0.006 . 1 . . . . 157 A QB . 15809 1 1024 . 1 1 156 156 ALA HB3 H 1 1.334 0.006 . 1 . . . . 157 A QB . 15809 1 1025 . 1 1 156 156 ALA C C 13 177.711 0.009 . 1 . . . . 157 A C . 15809 1 1026 . 1 1 156 156 ALA CA C 13 51.839 0.000 . 1 . . . . 157 A CA . 15809 1 1027 . 1 1 156 156 ALA CB C 13 18.535 0.028 . 1 . . . . 157 A CB . 15809 1 1028 . 1 1 156 156 ALA N N 15 132.270 0.034 . 1 . . . . 157 A N . 15809 1 1029 . 1 1 157 157 THR H H 1 8.733 0.013 . 1 . . . . 158 T HN . 15809 1 1030 . 1 1 157 157 THR HA H 1 5.114 0.000 . 1 . . . . 158 T HA . 15809 1 1031 . 1 1 157 157 THR C C 13 173.860 0.010 . 1 . . . . 158 T C . 15809 1 1032 . 1 1 157 157 THR CA C 13 60.392 0.006 . 1 . . . . 158 T CA . 15809 1 1033 . 1 1 157 157 THR CB C 13 72.882 0.000 . 1 . . . . 158 T CB . 15809 1 1034 . 1 1 157 157 THR N N 15 116.033 0.013 . 1 . . . . 158 T N . 15809 1 1035 . 1 1 158 158 CYS H H 1 8.437 0.004 . 1 . . . . 159 C HN . 15809 1 1036 . 1 1 158 158 CYS HA H 1 5.115 0.000 . 1 . . . . 159 C HA . 15809 1 1037 . 1 1 158 158 CYS C C 13 174.661 0.012 . 1 . . . . 159 C C . 15809 1 1038 . 1 1 158 158 CYS CA C 13 57.233 0.000 . 1 . . . . 159 C CA . 15809 1 1039 . 1 1 158 158 CYS CB C 13 28.063 0.000 . 1 . . . . 159 C CB . 15809 1 1040 . 1 1 158 158 CYS N N 15 120.455 0.051 . 1 . . . . 159 C N . 15809 1 1041 . 1 1 159 159 ALA H H 1 9.517 0.006 . 1 . . . . 160 A HN . 15809 1 1042 . 1 1 159 159 ALA HB1 H 1 1.642 0.008 . 1 . . . . 160 A QB . 15809 1 1043 . 1 1 159 159 ALA HB2 H 1 1.642 0.008 . 1 . . . . 160 A QB . 15809 1 1044 . 1 1 159 159 ALA HB3 H 1 1.642 0.008 . 1 . . . . 160 A QB . 15809 1 1045 . 1 1 159 159 ALA C C 13 177.049 0.024 . 1 . . . . 160 A C . 15809 1 1046 . 1 1 159 159 ALA CA C 13 55.200 0.000 . 1 . . . . 160 A CA . 15809 1 1047 . 1 1 159 159 ALA CB C 13 19.214 0.081 . 1 . . . . 160 A CB . 15809 1 1048 . 1 1 159 159 ALA N N 15 132.127 0.035 . 1 . . . . 160 A N . 15809 1 1049 . 1 1 160 160 THR H H 1 7.099 0.008 . 1 . . . . 161 T HN . 15809 1 1050 . 1 1 160 160 THR C C 13 176.885 0.017 . 1 . . . . 161 T C . 15809 1 1051 . 1 1 160 160 THR CA C 13 63.330 0.000 . 1 . . . . 161 T CA . 15809 1 1052 . 1 1 160 160 THR CB C 13 66.909 0.000 . 1 . . . . 161 T CB . 15809 1 1053 . 1 1 160 160 THR N N 15 103.240 0.018 . 1 . . . . 161 T N . 15809 1 1054 . 1 1 161 161 SER H H 1 7.678 0.004 . 1 . . . . 162 S HN . 15809 1 1055 . 1 1 161 161 SER HA H 1 4.624 0.000 . 1 . . . . 162 S HA . 15809 1 1056 . 1 1 161 161 SER C C 13 176.492 0.018 . 1 . . . . 162 S C . 15809 1 1057 . 1 1 161 161 SER CA C 13 57.545 0.000 . 1 . . . . 162 S CA . 15809 1 1058 . 1 1 161 161 SER CB C 13 64.131 0.000 . 1 . . . . 162 S CB . 15809 1 1059 . 1 1 161 161 SER N N 15 115.460 0.030 . 1 . . . . 162 S N . 15809 1 1060 . 1 1 162 162 GLY H H 1 8.423 0.011 . 1 . . . . 163 G HN . 15809 1 1061 . 1 1 162 162 GLY HA2 H 1 4.440 0.000 . 2 . . . . 163 G QA . 15809 1 1062 . 1 1 162 162 GLY HA3 H 1 4.440 0.000 . 2 . . . . 163 G QA . 15809 1 1063 . 1 1 162 162 GLY C C 13 173.650 0.155 . 1 . . . . 163 G C . 15809 1 1064 . 1 1 162 162 GLY CA C 13 44.938 0.000 . 1 . . . . 163 G CA . 15809 1 1065 . 1 1 162 162 GLY N N 15 112.752 0.019 . 1 . . . . 163 G N . 15809 1 1066 . 1 1 163 163 GLU H H 1 8.080 0.002 . 1 . . . . 164 E HN . 15809 1 1067 . 1 1 163 163 GLU C C 13 176.778 0.024 . 1 . . . . 164 E C . 15809 1 1068 . 1 1 163 163 GLU CA C 13 58.014 0.000 . 1 . . . . 164 E CA . 15809 1 1069 . 1 1 163 163 GLU CB C 13 29.520 0.000 . 1 . . . . 164 E CB . 15809 1 1070 . 1 1 163 163 GLU N N 15 125.408 0.021 . 1 . . . . 164 E N . 15809 1 1071 . 1 1 164 164 GLY H H 1 8.882 0.009 . 1 . . . . 165 G HN . 15809 1 1072 . 1 1 164 164 GLY C C 13 174.118 0.032 . 1 . . . . 165 G C . 15809 1 1073 . 1 1 164 164 GLY CA C 13 46.264 0.000 . 1 . . . . 165 G CA . 15809 1 1074 . 1 1 164 164 GLY N N 15 114.393 0.010 . 1 . . . . 165 G N . 15809 1 1075 . 1 1 165 165 LEU H H 1 7.275 0.011 . 1 . . . . 166 L HN . 15809 1 1076 . 1 1 165 165 LEU HD11 H 1 0.277 0.005 . 1 . . . . 166 L QD1 . 15809 1 1077 . 1 1 165 165 LEU HD12 H 1 0.277 0.005 . 1 . . . . 166 L QD1 . 15809 1 1078 . 1 1 165 165 LEU HD13 H 1 0.277 0.005 . 1 . . . . 166 L QD1 . 15809 1 1079 . 1 1 165 165 LEU HD21 H 1 0.756 0.018 . 1 . . . . 166 L QD2 . 15809 1 1080 . 1 1 165 165 LEU HD22 H 1 0.756 0.018 . 1 . . . . 166 L QD2 . 15809 1 1081 . 1 1 165 165 LEU HD23 H 1 0.756 0.018 . 1 . . . . 166 L QD2 . 15809 1 1082 . 1 1 165 165 LEU C C 13 178.859 0.033 . 1 . . . . 166 L C . 15809 1 1083 . 1 1 165 165 LEU CA C 13 57.727 0.018 . 1 . . . . 166 L CA . 15809 1 1084 . 1 1 165 165 LEU CB C 13 40.604 0.014 . 1 . . . . 166 L CB . 15809 1 1085 . 1 1 165 165 LEU CD1 C 13 23.481 0.033 . 2 . . . . 166 L CD1 . 15809 1 1086 . 1 1 165 165 LEU CD2 C 13 25.943 0.134 . 2 . . . . 166 L CD2 . 15809 1 1087 . 1 1 165 165 LEU N N 15 117.599 0.014 . 1 . . . . 166 L N . 15809 1 1088 . 1 1 166 166 TYR H H 1 8.964 0.012 . 1 . . . . 167 Y HN . 15809 1 1089 . 1 1 166 166 TYR C C 13 176.691 0.059 . 1 . . . . 167 Y C . 15809 1 1090 . 1 1 166 166 TYR CA C 13 62.118 0.000 . 1 . . . . 167 Y CA . 15809 1 1091 . 1 1 166 166 TYR CB C 13 37.159 0.000 . 1 . . . . 167 Y CB . 15809 1 1092 . 1 1 166 166 TYR N N 15 118.355 0.035 . 1 . . . . 167 Y N . 15809 1 1093 . 1 1 167 167 GLU H H 1 9.690 0.008 . 1 . . . . 168 E HN . 15809 1 1094 . 1 1 167 167 GLU C C 13 180.863 0.037 . 1 . . . . 168 E C . 15809 1 1095 . 1 1 167 167 GLU CA C 13 60.867 0.000 . 1 . . . . 168 E CA . 15809 1 1096 . 1 1 167 167 GLU N N 15 119.673 0.029 . 1 . . . . 168 E N . 15809 1 1097 . 1 1 168 168 GLY H H 1 8.180 0.006 . 1 . . . . 169 G HN . 15809 1 1098 . 1 1 168 168 GLY C C 13 174.380 0.028 . 1 . . . . 169 G C . 15809 1 1099 . 1 1 168 168 GLY CA C 13 47.535 0.109 . 1 . . . . 169 G CA . 15809 1 1100 . 1 1 168 168 GLY N N 15 105.319 0.005 . 1 . . . . 169 G N . 15809 1 1101 . 1 1 169 169 LEU H H 1 8.349 0.010 . 1 . . . . 170 L HN . 15809 1 1102 . 1 1 169 169 LEU HD11 H 1 0.609 0.005 . 1 . . . . 170 L QD1 . 15809 1 1103 . 1 1 169 169 LEU HD12 H 1 0.609 0.005 . 1 . . . . 170 L QD1 . 15809 1 1104 . 1 1 169 169 LEU HD13 H 1 0.609 0.005 . 1 . . . . 170 L QD1 . 15809 1 1105 . 1 1 169 169 LEU HD21 H 1 0.861 0.003 . 1 . . . . 170 L QD2 . 15809 1 1106 . 1 1 169 169 LEU HD22 H 1 0.861 0.003 . 1 . . . . 170 L QD2 . 15809 1 1107 . 1 1 169 169 LEU HD23 H 1 0.861 0.003 . 1 . . . . 170 L QD2 . 15809 1 1108 . 1 1 169 169 LEU C C 13 178.580 0.018 . 1 . . . . 170 L C . 15809 1 1109 . 1 1 169 169 LEU CA C 13 57.412 0.000 . 1 . . . . 170 L CA . 15809 1 1110 . 1 1 169 169 LEU CB C 13 40.279 0.000 . 1 . . . . 170 L CB . 15809 1 1111 . 1 1 169 169 LEU CD1 C 13 23.117 0.000 . 2 . . . . 170 L CD1 . 15809 1 1112 . 1 1 169 169 LEU CD2 C 13 26.414 0.107 . 2 . . . . 170 L CD2 . 15809 1 1113 . 1 1 169 169 LEU N N 15 121.445 0.016 . 1 . . . . 170 L N . 15809 1 1114 . 1 1 170 170 GLU H H 1 9.146 0.005 . 1 . . . . 171 E HN . 15809 1 1115 . 1 1 170 170 GLU C C 13 178.082 0.093 . 1 . . . . 171 E C . 15809 1 1116 . 1 1 170 170 GLU CA C 13 59.265 0.078 . 1 . . . . 171 E CA . 15809 1 1117 . 1 1 170 170 GLU CB C 13 28.604 0.000 . 1 . . . . 171 E CB . 15809 1 1118 . 1 1 170 170 GLU N N 15 122.839 0.017 . 1 . . . . 171 E N . 15809 1 1119 . 1 1 171 171 TRP H H 1 7.338 0.003 . 1 . . . . 172 W HN . 15809 1 1120 . 1 1 171 171 TRP HB2 H 1 2.574 0.004 . 2 . . . . 172 W HB2 . 15809 1 1121 . 1 1 171 171 TRP HB3 H 1 3.228 0.015 . 2 . . . . 172 W HB3 . 15809 1 1122 . 1 1 171 171 TRP C C 13 179.339 0.024 . 1 . . . . 172 W C . 15809 1 1123 . 1 1 171 171 TRP CA C 13 62.170 0.026 . 1 . . . . 172 W CA . 15809 1 1124 . 1 1 171 171 TRP N N 15 119.831 0.043 . 1 . . . . 172 W N . 15809 1 1125 . 1 1 172 172 LEU H H 1 8.102 0.014 . 1 . . . . 173 L HN . 15809 1 1126 . 1 1 172 172 LEU HD11 H 1 0.820 0.010 . 1 . . . . 173 L QD1 . 15809 1 1127 . 1 1 172 172 LEU HD12 H 1 0.820 0.010 . 1 . . . . 173 L QD1 . 15809 1 1128 . 1 1 172 172 LEU HD13 H 1 0.820 0.010 . 1 . . . . 173 L QD1 . 15809 1 1129 . 1 1 172 172 LEU C C 13 177.728 0.084 . 1 . . . . 173 L C . 15809 1 1130 . 1 1 172 172 LEU CA C 13 57.454 0.000 . 1 . . . . 173 L CA . 15809 1 1131 . 1 1 172 172 LEU CB C 13 41.452 0.000 . 1 . . . . 173 L CB . 15809 1 1132 . 1 1 172 172 LEU CD1 C 13 23.938 0.061 . 2 . . . . 173 L CD1 . 15809 1 1133 . 1 1 172 172 LEU CD2 C 13 26.166 0.000 . 2 . . . . 173 L CD2 . 15809 1 1134 . 1 1 172 172 LEU N N 15 120.826 0.035 . 1 . . . . 173 L N . 15809 1 1135 . 1 1 173 173 SER H H 1 8.657 0.023 . 1 . . . . 174 S HN . 15809 1 1136 . 1 1 173 173 SER C C 13 176.529 0.055 . 1 . . . . 174 S C . 15809 1 1137 . 1 1 173 173 SER CA C 13 60.985 0.000 . 1 . . . . 174 S CA . 15809 1 1138 . 1 1 173 173 SER CB C 13 62.256 0.000 . 1 . . . . 174 S CB . 15809 1 1139 . 1 1 173 173 SER N N 15 113.159 0.006 . 1 . . . . 174 S N . 15809 1 1140 . 1 1 174 174 ASN H H 1 7.793 0.015 . 1 . . . . 175 N HN . 15809 1 1141 . 1 1 174 174 ASN C C 13 177.289 0.048 . 1 . . . . 175 N C . 15809 1 1142 . 1 1 174 174 ASN CA C 13 55.161 0.000 . 1 . . . . 175 N CA . 15809 1 1143 . 1 1 174 174 ASN CB C 13 37.835 0.000 . 1 . . . . 175 N CB . 15809 1 1144 . 1 1 174 174 ASN N N 15 117.671 0.000 . 1 . . . . 175 N N . 15809 1 1145 . 1 1 175 175 SER H H 1 7.698 0.003 . 1 . . . . 176 S HN . 15809 1 1146 . 1 1 175 175 SER HA H 1 3.845 0.000 . 1 . . . . 176 S HA . 15809 1 1147 . 1 1 175 175 SER C C 13 176.120 0.004 . 1 . . . . 176 S C . 15809 1 1148 . 1 1 175 175 SER CA C 13 60.437 0.000 . 1 . . . . 176 S CA . 15809 1 1149 . 1 1 175 175 SER CB C 13 62.166 0.000 . 1 . . . . 176 S CB . 15809 1 1150 . 1 1 175 175 SER N N 15 116.478 0.014 . 1 . . . . 176 S N . 15809 1 1151 . 1 1 176 176 LEU H H 1 7.672 0.005 . 1 . . . . 177 L HN . 15809 1 1152 . 1 1 176 176 LEU HD11 H 1 0.706 0.006 . 1 . . . . 177 L QD1 . 15809 1 1153 . 1 1 176 176 LEU HD12 H 1 0.706 0.006 . 1 . . . . 177 L QD1 . 15809 1 1154 . 1 1 176 176 LEU HD13 H 1 0.706 0.006 . 1 . . . . 177 L QD1 . 15809 1 1155 . 1 1 176 176 LEU HD21 H 1 0.653 0.007 . 1 . . . . 177 L QD2 . 15809 1 1156 . 1 1 176 176 LEU HD22 H 1 0.653 0.007 . 1 . . . . 177 L QD2 . 15809 1 1157 . 1 1 176 176 LEU HD23 H 1 0.653 0.007 . 1 . . . . 177 L QD2 . 15809 1 1158 . 1 1 176 176 LEU C C 13 178.637 0.018 . 1 . . . . 177 L C . 15809 1 1159 . 1 1 176 176 LEU CA C 13 55.648 0.001 . 1 . . . . 177 L CA . 15809 1 1160 . 1 1 176 176 LEU CB C 13 40.632 0.014 . 1 . . . . 177 L CB . 15809 1 1161 . 1 1 176 176 LEU CD1 C 13 23.247 0.033 . 2 . . . . 177 L CD1 . 15809 1 1162 . 1 1 176 176 LEU CD2 C 13 25.321 0.059 . 2 . . . . 177 L CD2 . 15809 1 1163 . 1 1 176 176 LEU CG C 13 26.315 0.000 . 1 . . . . 177 L CG . 15809 1 1164 . 1 1 176 176 LEU N N 15 120.120 0.007 . 1 . . . . 177 L N . 15809 1 1165 . 1 1 177 177 LYS H H 1 7.871 0.010 . 1 . . . . 178 K HN . 15809 1 1166 . 1 1 177 177 LYS HA H 1 4.034 0.000 . 1 . . . . 178 K HA . 15809 1 1167 . 1 1 177 177 LYS C C 13 177.174 0.030 . 1 . . . . 178 K C . 15809 1 1168 . 1 1 177 177 LYS CA C 13 57.545 0.000 . 1 . . . . 178 K CA . 15809 1 1169 . 1 1 177 177 LYS CB C 13 31.633 0.000 . 1 . . . . 178 K CB . 15809 1 1170 . 1 1 177 177 LYS N N 15 119.935 0.000 . 1 . . . . 178 K N . 15809 1 1171 . 1 1 178 178 ASN H H 1 7.998 0.002 . 1 . . . . 179 N HN . 15809 1 1172 . 1 1 178 178 ASN C C 13 175.861 0.053 . 1 . . . . 179 N C . 15809 1 1173 . 1 1 178 178 ASN CA C 13 53.285 0.000 . 1 . . . . 179 N CA . 15809 1 1174 . 1 1 178 178 ASN CB C 13 38.462 0.000 . 1 . . . . 179 N CB . 15809 1 1175 . 1 1 178 178 ASN N N 15 117.601 0.010 . 1 . . . . 179 N N . 15809 1 1176 . 1 1 179 179 SER H H 1 8.065 0.000 . 1 . . . . 180 S HN . 15809 1 1177 . 1 1 179 179 SER C C 13 175.299 0.055 . 1 . . . . 180 S C . 15809 1 1178 . 1 1 179 179 SER CA C 13 58.601 0.000 . 1 . . . . 180 S CA . 15809 1 1179 . 1 1 179 179 SER CB C 13 63.336 0.000 . 1 . . . . 180 S CB . 15809 1 1180 . 1 1 179 179 SER N N 15 115.925 0.018 . 1 . . . . 180 S N . 15809 1 1181 . 1 1 180 180 THR H H 1 8.111 0.001 . 1 . . . . 181 T HN . 15809 1 1182 . 1 1 180 180 THR C C 13 174.769 0.000 . 1 . . . . 181 T C . 15809 1 1183 . 1 1 180 180 THR CA C 13 62.079 0.000 . 1 . . . . 181 T CA . 15809 1 1184 . 1 1 180 180 THR CB C 13 69.238 0.000 . 1 . . . . 181 T CB . 15809 1 1185 . 1 1 180 180 THR N N 15 115.878 0.029 . 1 . . . . 181 T N . 15809 1 1186 . 1 1 181 181 LEU H H 1 7.941 0.002 . 1 . . . . 182 L HN . 15809 1 1187 . 1 1 181 181 LEU C C 13 177.348 0.000 . 1 . . . . 182 L C . 15809 1 1188 . 1 1 181 181 LEU CA C 13 55.122 0.000 . 1 . . . . 182 L CA . 15809 1 1189 . 1 1 181 181 LEU CB C 13 41.291 0.000 . 1 . . . . 182 L CB . 15809 1 1190 . 1 1 181 181 LEU N N 15 123.409 0.021 . 1 . . . . 182 L N . 15809 1 1191 . 3 3 1 1 MYR H21 H 1 1.939 0.000 . 2 . . . . . MYR H21 . 15809 1 1192 . 3 3 1 1 MYR H22 H 1 2.058 0.000 . 2 . . . . . MYR H22 . 15809 1 1193 . 3 3 1 1 MYR H31 H 1 1.327 0.000 . 1 . . . . . MYR H31 . 15809 1 1194 . 3 3 1 1 MYR H32 H 1 1.327 0.000 . 1 . . . . . MYR H32 . 15809 1 1195 . 3 3 1 1 MYR H41 H 1 0.979 0.000 . 4 . . . . . MYR H41 . 15809 1 1196 . 3 3 1 1 MYR H42 H 1 0.979 0.000 . 4 . . . . . MYR H42 . 15809 1 1197 . 3 3 1 1 MYR H51 H 1 0.979 0.000 . 4 . . . . . MYR H51 . 15809 1 1198 . 3 3 1 1 MYR H52 H 1 0.979 0.000 . 4 . . . . . MYR H52 . 15809 1 1199 . 3 3 1 1 MYR H61 H 1 0.979 0.000 . 4 . . . . . MYR H61 . 15809 1 1200 . 3 3 1 1 MYR H62 H 1 0.979 0.000 . 4 . . . . . MYR H62 . 15809 1 1201 . 3 3 1 1 MYR H71 H 1 0.979 0.000 . 4 . . . . . MYR H71 . 15809 1 1202 . 3 3 1 1 MYR H72 H 1 0.979 0.000 . 4 . . . . . MYR H72 . 15809 1 1203 . 3 3 1 1 MYR H81 H 1 0.979 0.000 . 4 . . . . . MYR H81 . 15809 1 1204 . 3 3 1 1 MYR H82 H 1 0.979 0.000 . 4 . . . . . MYR H82 . 15809 1 1205 . 3 3 1 1 MYR H91 H 1 0.979 0.000 . 4 . . . . . MYR H91 . 15809 1 1206 . 3 3 1 1 MYR H92 H 1 0.979 0.000 . 4 . . . . . MYR H92 . 15809 1 1207 . 3 3 1 1 MYR H101 H 1 0.979 0.000 . 4 . . . . . MYR H101 . 15809 1 1208 . 3 3 1 1 MYR H102 H 1 0.979 0.000 . 4 . . . . . MYR H102 . 15809 1 1209 . 3 3 1 1 MYR H111 H 1 0.979 0.000 . 4 . . . . . MYR H111 . 15809 1 1210 . 3 3 1 1 MYR H112 H 1 0.979 0.000 . 4 . . . . . MYR H112 . 15809 1 1211 . 3 3 1 1 MYR H121 H 1 0.979 0.000 . 4 . . . . . MYR H121 . 15809 1 1212 . 3 3 1 1 MYR H122 H 1 0.979 0.000 . 4 . . . . . MYR H122 . 15809 1 1213 . 3 3 1 1 MYR H131 H 1 0.979 0.000 . 4 . . . . . MYR H131 . 15809 1 1214 . 3 3 1 1 MYR H132 H 1 0.979 0.000 . 4 . . . . . MYR H132 . 15809 1 1215 . 3 3 1 1 MYR H141 H 1 0.602 0.000 . 1 . . . . . MYR H141 . 15809 1 1216 . 3 3 1 1 MYR H142 H 1 0.602 0.000 . 1 . . . . . MYR H142 . 15809 1 1217 . 3 3 1 1 MYR H143 H 1 0.602 0.000 . 1 . . . . . MYR H143 . 15809 1 stop_ save_