data_5874 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5874 _Entry.Title ; Complete backbone resonance assignments of p47: the 41kDa adaptor protein of the AAA ATPase p97 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-07-18 _Entry.Accession_date 2003-07-18 _Entry.Last_release_date 2003-12-05 _Entry.Original_release_date 2003-12-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Xuemei Yuan . . . 5874 2 Pete Simpson . . . 5874 3 Hisao Kondo . . . 5874 4 Ciaran Mckeown . . . 5874 5 Ingrid Dreveny . . . 5874 6 Anthony Shaw . . . 5874 7 Xiaodong Zhang . . . 5874 8 Paul Freemont . S. . 5874 9 Stephen Matthews . J. . 5874 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5874 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 282 5874 '15N chemical shifts' 140 5874 '1H chemical shifts' 759 5874 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 . . 2003-12-05 2003-07-18 original author . 5874 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5876 'p47 residues 171-370, p47 monomer' 5874 PDB 1JRU 'BMRB Entry Tracking System' 5874 PDB 1VAZ 'BMRB Entry Tracking System' 5874 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5874 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14752269 _Citation.Full_citation . _Citation.Title ; Complete backbone resonance assignments of p47: the 41kDa adaptor protein of the AAA ATPase p97 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 28 _Citation.Journal_issue 3 _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 309 _Citation.Page_last 310 _Citation.Year 2004 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Xuemei Yuan . . . 5874 1 2 Pete Simpson . . . 5874 1 3 Hisao Kondo . . . 5874 1 4 Ciaran Mckeown . . . 5874 1 5 Ingrid Dreveny . . . 5874 1 6 Anthony Shaw . . . 5874 1 7 Xiaodong Zhang . . . 5874 1 8 Paul Freemont . S. . 5874 1 9 Stephen Matthews . J. . 5874 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_p47 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_p47 _Assembly.Entry_ID 5874 _Assembly.ID 1 _Assembly.Name 'p47 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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5874 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'p47 residues 1-174, p47 monomer' 1 $p47 . . . native . . . . . 5874 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . pdb 1JRU . . . . . . 5874 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID p47 abbreviation 5874 1 'p47 monomer' system 5874 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ; adaptor protein of the ATPase p97 in the mediation of cellular processes including membrane fusion ; 5874 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_p47 _Entity.Sf_category entity _Entity.Sf_framecode p47 _Entity.Entry_ID 5874 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name p47 _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 ; MAEERQDALREFVAVTGAEE DRARFFLESAGWDLQIALAS FYEDGGDEDIVTISQATPSS VSRGTAPSDNRVTSFRDLIH DQDEEEEEEEGQRFYAGGSE RSGQQIVGPPRKKSPNELVD DLFKGAKEHGAVAVERVTKS PGETSKPRPFAGGGYRLGAA PEEESAYVAGERRR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 174 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 41000 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAA21659 . "p47 [Rattus norvegicus]" . . . . . 100.00 370 100.00 100.00 4.63e-118 . . . . 5874 1 2 no DBJ BAA91731 . "unnamed protein product [Homo sapiens]" . . . . . 85.06 339 97.97 99.32 3.00e-96 . . . . 5874 1 3 no DBJ BAB28604 . "unnamed protein product [Mus musculus]" . . . . . 100.00 370 99.43 99.43 1.76e-117 . . . . 5874 1 4 no DBJ BAC30250 . "unnamed protein product [Mus musculus]" . . . . . 101.15 264 97.73 97.73 1.63e-114 . . . . 5874 1 5 no DBJ BAD97061 . "p47 protein isoform a variant [Homo sapiens]" . . . . . 100.00 370 97.13 99.43 6.09e-115 . . . . 5874 1 6 no EMBL CAA71742 . "XY40 protein [Rattus norvegicus]" . . . . . 100.00 370 100.00 100.00 4.63e-118 . . . . 5874 1 7 no EMBL CAH90897 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 370 97.13 99.43 7.57e-115 . . . . 5874 1 8 no GB AAD44488 . "p47 [Homo sapiens]" . . . . . 100.00 370 97.13 99.43 6.09e-115 . . . . 5874 1 9 no GB AAH02801 . "NSFL1 (p97) cofactor (p47) [Homo sapiens]" . . . . . 100.00 370 97.13 99.43 7.57e-115 . . . . 5874 1 10 no GB AAH50936 . "NSFL1 (p97) cofactor (p47) [Mus musculus]" . . . . . 101.15 372 98.30 98.30 2.01e-115 . . . . 5874 1 11 no GB AAH72464 . "NSFL1 (p97) cofactor (p47) [Rattus norvegicus]" . . . . . 100.00 370 100.00 100.00 4.63e-118 . . . . 5874 1 12 no GB AAI02957 . "NSFL1 (p97) cofactor (p47) [Bos taurus]" . . . . . 100.00 370 98.28 99.43 4.67e-116 . . . . 5874 1 13 no REF NP_001029729 . "NSFL1 cofactor p47 [Bos taurus]" . . . . . 100.00 370 98.28 99.43 4.67e-116 . . . . 5874 1 14 no REF NP_001125510 . "NSFL1 cofactor p47 [Pongo abelii]" . . . . . 100.00 370 97.13 99.43 7.57e-115 . . . . 5874 1 15 no REF NP_001231372 . "NSFL1 (p97) cofactor (p47) [Sus scrofa]" . . . . . 100.00 370 98.85 99.43 9.13e-117 . . . . 5874 1 16 no REF NP_001278003 . "NSFL1 cofactor p47 isoform b [Mus musculus]" . . . . . 100.00 370 99.43 99.43 1.76e-117 . . . . 5874 1 17 no REF NP_057227 . "NSFL1 cofactor p47 isoform a [Homo sapiens]" . . . . . 100.00 370 97.13 99.43 7.57e-115 . . . . 5874 1 18 no SP O35987 . "RecName: Full=NSFL1 cofactor p47; AltName: Full=XY body-associated protein XY40; AltName: Full=p97 cofactor p47 [Rattus norvegi" . . . . . 100.00 370 100.00 100.00 4.63e-118 . . . . 5874 1 19 no SP Q3SZC4 . "RecName: Full=NSFL1 cofactor p47; AltName: Full=p97 cofactor p47 [Bos taurus]" . . . . . 100.00 370 98.28 99.43 4.67e-116 . . . . 5874 1 20 no SP Q5RBG3 . "RecName: Full=NSFL1 cofactor p47; AltName: Full=p97 cofactor p47 [Pongo abelii]" . . . . . 100.00 370 97.13 99.43 7.57e-115 . . . . 5874 1 21 no SP Q9CZ44 . "RecName: Full=NSFL1 cofactor p47; AltName: Full=p97 cofactor p47 [Mus musculus]" . . . . . 100.00 370 99.43 99.43 1.76e-117 . . . . 5874 1 22 no SP Q9UNZ2 . "RecName: Full=NSFL1 cofactor p47; AltName: Full=UBX domain-containing protein 2C; AltName: Full=p97 cofactor p47 [Homo sapiens]" . . . . . 100.00 370 97.13 99.43 7.57e-115 . . . . 5874 1 23 no TPG DAA23261 . "TPA: NSFL1 cofactor p47 [Bos taurus]" . . . . . 100.00 370 98.28 99.43 4.67e-116 . . . . 5874 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID p47 abbreviation 5874 1 p47 common 5874 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5874 1 2 . ALA . 5874 1 3 . GLU . 5874 1 4 . GLU . 5874 1 5 . ARG . 5874 1 6 . GLN . 5874 1 7 . ASP . 5874 1 8 . ALA . 5874 1 9 . LEU . 5874 1 10 . ARG . 5874 1 11 . GLU . 5874 1 12 . PHE . 5874 1 13 . VAL . 5874 1 14 . ALA . 5874 1 15 . VAL . 5874 1 16 . THR . 5874 1 17 . GLY . 5874 1 18 . ALA . 5874 1 19 . GLU . 5874 1 20 . GLU . 5874 1 21 . ASP . 5874 1 22 . ARG . 5874 1 23 . ALA . 5874 1 24 . ARG . 5874 1 25 . PHE . 5874 1 26 . PHE . 5874 1 27 . LEU . 5874 1 28 . GLU . 5874 1 29 . SER . 5874 1 30 . ALA . 5874 1 31 . GLY . 5874 1 32 . TRP . 5874 1 33 . ASP . 5874 1 34 . LEU . 5874 1 35 . GLN . 5874 1 36 . ILE . 5874 1 37 . ALA . 5874 1 38 . LEU . 5874 1 39 . ALA . 5874 1 40 . SER . 5874 1 41 . PHE . 5874 1 42 . TYR . 5874 1 43 . GLU . 5874 1 44 . ASP . 5874 1 45 . GLY . 5874 1 46 . GLY . 5874 1 47 . ASP . 5874 1 48 . GLU . 5874 1 49 . ASP . 5874 1 50 . ILE . 5874 1 51 . VAL . 5874 1 52 . THR . 5874 1 53 . ILE . 5874 1 54 . SER . 5874 1 55 . GLN . 5874 1 56 . ALA . 5874 1 57 . THR . 5874 1 58 . PRO . 5874 1 59 . SER . 5874 1 60 . SER . 5874 1 61 . VAL . 5874 1 62 . SER . 5874 1 63 . ARG . 5874 1 64 . GLY . 5874 1 65 . THR . 5874 1 66 . ALA . 5874 1 67 . PRO . 5874 1 68 . SER . 5874 1 69 . ASP . 5874 1 70 . ASN . 5874 1 71 . ARG . 5874 1 72 . VAL . 5874 1 73 . THR . 5874 1 74 . SER . 5874 1 75 . PHE . 5874 1 76 . ARG . 5874 1 77 . ASP . 5874 1 78 . LEU . 5874 1 79 . ILE . 5874 1 80 . HIS . 5874 1 81 . ASP . 5874 1 82 . GLN . 5874 1 83 . ASP . 5874 1 84 . GLU . 5874 1 85 . GLU . 5874 1 86 . GLU . 5874 1 87 . GLU . 5874 1 88 . GLU . 5874 1 89 . GLU . 5874 1 90 . GLU . 5874 1 91 . GLY . 5874 1 92 . GLN . 5874 1 93 . ARG . 5874 1 94 . PHE . 5874 1 95 . TYR . 5874 1 96 . ALA . 5874 1 97 . GLY . 5874 1 98 . GLY . 5874 1 99 . SER . 5874 1 100 . GLU . 5874 1 101 . ARG . 5874 1 102 . SER . 5874 1 103 . GLY . 5874 1 104 . GLN . 5874 1 105 . GLN . 5874 1 106 . ILE . 5874 1 107 . VAL . 5874 1 108 . GLY . 5874 1 109 . PRO . 5874 1 110 . PRO . 5874 1 111 . ARG . 5874 1 112 . LYS . 5874 1 113 . LYS . 5874 1 114 . SER . 5874 1 115 . PRO . 5874 1 116 . ASN . 5874 1 117 . GLU . 5874 1 118 . LEU . 5874 1 119 . VAL . 5874 1 120 . ASP . 5874 1 121 . ASP . 5874 1 122 . LEU . 5874 1 123 . PHE . 5874 1 124 . LYS . 5874 1 125 . GLY . 5874 1 126 . ALA . 5874 1 127 . LYS . 5874 1 128 . GLU . 5874 1 129 . HIS . 5874 1 130 . GLY . 5874 1 131 . ALA . 5874 1 132 . VAL . 5874 1 133 . ALA . 5874 1 134 . VAL . 5874 1 135 . GLU . 5874 1 136 . ARG . 5874 1 137 . VAL . 5874 1 138 . THR . 5874 1 139 . LYS . 5874 1 140 . SER . 5874 1 141 . PRO . 5874 1 142 . GLY . 5874 1 143 . GLU . 5874 1 144 . THR . 5874 1 145 . SER . 5874 1 146 . LYS . 5874 1 147 . PRO . 5874 1 148 . ARG . 5874 1 149 . PRO . 5874 1 150 . PHE . 5874 1 151 . ALA . 5874 1 152 . GLY . 5874 1 153 . GLY . 5874 1 154 . GLY . 5874 1 155 . TYR . 5874 1 156 . ARG . 5874 1 157 . LEU . 5874 1 158 . GLY . 5874 1 159 . ALA . 5874 1 160 . ALA . 5874 1 161 . PRO . 5874 1 162 . GLU . 5874 1 163 . GLU . 5874 1 164 . GLU . 5874 1 165 . SER . 5874 1 166 . ALA . 5874 1 167 . TYR . 5874 1 168 . VAL . 5874 1 169 . ALA . 5874 1 170 . GLY . 5874 1 171 . GLU . 5874 1 172 . ARG . 5874 1 173 . ARG . 5874 1 174 . ARG . 5874 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5874 1 . ALA 2 2 5874 1 . GLU 3 3 5874 1 . GLU 4 4 5874 1 . ARG 5 5 5874 1 . GLN 6 6 5874 1 . ASP 7 7 5874 1 . ALA 8 8 5874 1 . LEU 9 9 5874 1 . ARG 10 10 5874 1 . GLU 11 11 5874 1 . PHE 12 12 5874 1 . VAL 13 13 5874 1 . ALA 14 14 5874 1 . VAL 15 15 5874 1 . THR 16 16 5874 1 . GLY 17 17 5874 1 . ALA 18 18 5874 1 . GLU 19 19 5874 1 . GLU 20 20 5874 1 . ASP 21 21 5874 1 . ARG 22 22 5874 1 . ALA 23 23 5874 1 . ARG 24 24 5874 1 . PHE 25 25 5874 1 . PHE 26 26 5874 1 . LEU 27 27 5874 1 . GLU 28 28 5874 1 . SER 29 29 5874 1 . ALA 30 30 5874 1 . GLY 31 31 5874 1 . TRP 32 32 5874 1 . ASP 33 33 5874 1 . LEU 34 34 5874 1 . GLN 35 35 5874 1 . ILE 36 36 5874 1 . ALA 37 37 5874 1 . LEU 38 38 5874 1 . ALA 39 39 5874 1 . SER 40 40 5874 1 . PHE 41 41 5874 1 . TYR 42 42 5874 1 . GLU 43 43 5874 1 . ASP 44 44 5874 1 . GLY 45 45 5874 1 . GLY 46 46 5874 1 . ASP 47 47 5874 1 . GLU 48 48 5874 1 . ASP 49 49 5874 1 . ILE 50 50 5874 1 . VAL 51 51 5874 1 . THR 52 52 5874 1 . ILE 53 53 5874 1 . SER 54 54 5874 1 . GLN 55 55 5874 1 . ALA 56 56 5874 1 . THR 57 57 5874 1 . PRO 58 58 5874 1 . SER 59 59 5874 1 . SER 60 60 5874 1 . VAL 61 61 5874 1 . SER 62 62 5874 1 . ARG 63 63 5874 1 . GLY 64 64 5874 1 . THR 65 65 5874 1 . ALA 66 66 5874 1 . PRO 67 67 5874 1 . SER 68 68 5874 1 . ASP 69 69 5874 1 . ASN 70 70 5874 1 . ARG 71 71 5874 1 . VAL 72 72 5874 1 . THR 73 73 5874 1 . SER 74 74 5874 1 . PHE 75 75 5874 1 . ARG 76 76 5874 1 . ASP 77 77 5874 1 . LEU 78 78 5874 1 . ILE 79 79 5874 1 . HIS 80 80 5874 1 . ASP 81 81 5874 1 . GLN 82 82 5874 1 . ASP 83 83 5874 1 . GLU 84 84 5874 1 . GLU 85 85 5874 1 . GLU 86 86 5874 1 . GLU 87 87 5874 1 . GLU 88 88 5874 1 . GLU 89 89 5874 1 . GLU 90 90 5874 1 . GLY 91 91 5874 1 . GLN 92 92 5874 1 . ARG 93 93 5874 1 . PHE 94 94 5874 1 . TYR 95 95 5874 1 . ALA 96 96 5874 1 . GLY 97 97 5874 1 . GLY 98 98 5874 1 . SER 99 99 5874 1 . GLU 100 100 5874 1 . ARG 101 101 5874 1 . SER 102 102 5874 1 . GLY 103 103 5874 1 . GLN 104 104 5874 1 . GLN 105 105 5874 1 . ILE 106 106 5874 1 . VAL 107 107 5874 1 . GLY 108 108 5874 1 . PRO 109 109 5874 1 . PRO 110 110 5874 1 . ARG 111 111 5874 1 . LYS 112 112 5874 1 . LYS 113 113 5874 1 . SER 114 114 5874 1 . PRO 115 115 5874 1 . ASN 116 116 5874 1 . GLU 117 117 5874 1 . LEU 118 118 5874 1 . VAL 119 119 5874 1 . ASP 120 120 5874 1 . ASP 121 121 5874 1 . LEU 122 122 5874 1 . PHE 123 123 5874 1 . LYS 124 124 5874 1 . GLY 125 125 5874 1 . ALA 126 126 5874 1 . LYS 127 127 5874 1 . GLU 128 128 5874 1 . HIS 129 129 5874 1 . GLY 130 130 5874 1 . ALA 131 131 5874 1 . VAL 132 132 5874 1 . ALA 133 133 5874 1 . VAL 134 134 5874 1 . GLU 135 135 5874 1 . ARG 136 136 5874 1 . VAL 137 137 5874 1 . THR 138 138 5874 1 . LYS 139 139 5874 1 . SER 140 140 5874 1 . PRO 141 141 5874 1 . GLY 142 142 5874 1 . GLU 143 143 5874 1 . THR 144 144 5874 1 . SER 145 145 5874 1 . LYS 146 146 5874 1 . PRO 147 147 5874 1 . ARG 148 148 5874 1 . PRO 149 149 5874 1 . PHE 150 150 5874 1 . ALA 151 151 5874 1 . GLY 152 152 5874 1 . GLY 153 153 5874 1 . GLY 154 154 5874 1 . TYR 155 155 5874 1 . ARG 156 156 5874 1 . LEU 157 157 5874 1 . GLY 158 158 5874 1 . ALA 159 159 5874 1 . ALA 160 160 5874 1 . PRO 161 161 5874 1 . GLU 162 162 5874 1 . GLU 163 163 5874 1 . GLU 164 164 5874 1 . SER 165 165 5874 1 . ALA 166 166 5874 1 . TYR 167 167 5874 1 . VAL 168 168 5874 1 . ALA 169 169 5874 1 . GLY 170 170 5874 1 . GLU 171 171 5874 1 . ARG 172 172 5874 1 . ARG 173 173 5874 1 . ARG 174 174 5874 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5874 _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 $p47 . 10116 . . 'Rattus norvegicus' 'Norway rat' . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 5874 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 5874 _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 $p47 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5874 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5874 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 p47 '[U-13C; U-15N]' . . 1 $p47 . . 0.5 0.3 0.6 mM . . . . 5874 1 stop_ save_ ####################### # Sample conditions # ####################### save_ex-cond _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode ex-cond _Sample_condition_list.Entry_ID 5874 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.3 0.2 n/a 5874 1 temperature 298 1 K 5874 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5874 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 5874 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5874 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5874 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model . _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5874 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DRX . 500 . . . 5874 1 2 NMR_spectrometer_2 Varian . . 800 . . . 5874 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 5874 _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 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5874 1 2 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5874 1 3 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5874 1 4 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5874 1 5 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5874 1 6 HBHA(CBCACO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5874 1 7 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5874 1 8 '1H-13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5874 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5874 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5874 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5874 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5874 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5874 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5874 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HBHA(CBCACO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5874 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5874 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '1H-13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5874 _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 0.0 . indirect 0.251449530 . . . . . . . . . 5874 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5874 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5874 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5874 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $ex-cond _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5874 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 55.435 0.05 . 1 . . . . . . . . 5874 1 2 . 1 1 1 1 MET CB C 13 28.831 0.05 . 1 . . . . . . . . 5874 1 3 . 1 1 1 1 MET C C 13 176.160 0.05 . 1 . . . . . . . . 5874 1 4 . 1 1 1 1 MET HB3 H 1 1.993 0.05 . 1 . . . . . . . . 5874 1 5 . 1 1 1 1 MET HB2 H 1 1.993 0.05 . 1 . . . . . . . . 5874 1 6 . 1 1 2 2 ALA N N 15 122.961 0.05 . 1 . . . . . . . . 5874 1 7 . 1 1 2 2 ALA H H 1 8.219 0.05 . 1 . . . . . . . . 5874 1 8 . 1 1 2 2 ALA CA C 13 58.875 0.05 . 1 . . . . . . . . 5874 1 9 . 1 1 2 2 ALA HA H 1 3.955 0.05 . 1 . . . . . . . . 5874 1 10 . 1 1 2 2 ALA CB C 13 19.518 0.05 . 1 . . . . . . . . 5874 1 11 . 1 1 2 2 ALA HB1 H 1 1.383 0.05 . 1 . . . . . . . . 5874 1 12 . 1 1 2 2 ALA HB2 H 1 1.383 0.05 . 1 . . . . . . . . 5874 1 13 . 1 1 2 2 ALA HB3 H 1 1.383 0.05 . 1 . . . . . . . . 5874 1 14 . 1 1 2 2 ALA C C 13 179.203 0.05 . 1 . . . . . . . . 5874 1 15 . 1 1 3 3 GLU N N 15 119.994 0.05 . 1 . . . . . . . . 5874 1 16 . 1 1 3 3 GLU H H 1 8.442 0.05 . 1 . . . . . . . . 5874 1 17 . 1 1 3 3 GLU CA C 13 58.340 0.05 . 1 . . . . . . . . 5874 1 18 . 1 1 3 3 GLU HA H 1 4.012 0.05 . 1 . . . . . . . . 5874 1 19 . 1 1 3 3 GLU CB C 13 28.830 0.05 . 1 . . . . . . . . 5874 1 20 . 1 1 3 3 GLU HB3 H 1 2.090 0.05 . 1 . . . . . . . . 5874 1 21 . 1 1 3 3 GLU C C 13 177.411 0.05 . 1 . . . . . . . . 5874 1 22 . 1 1 4 4 GLU N N 15 119.570 0.05 . 1 . . . . . . . . 5874 1 23 . 1 1 4 4 GLU H H 1 8.414 0.05 . 1 . . . . . . . . 5874 1 24 . 1 1 4 4 GLU CA C 13 58.340 0.05 . 1 . . . . . . . . 5874 1 25 . 1 1 4 4 GLU HA H 1 4.165 0.05 . 1 . . . . . . . . 5874 1 26 . 1 1 4 4 GLU CB C 13 28.525 0.05 . 1 . . . . . . . . 5874 1 27 . 1 1 4 4 GLU HB3 H 1 2.101 0.05 . 1 . . . . . . . . 5874 1 28 . 1 1 4 4 GLU HG3 H 1 2.461 0.05 . 1 . . . . . . . . 5874 1 29 . 1 1 4 4 GLU HG2 H 1 2.371 0.05 . 1 . . . . . . . . 5874 1 30 . 1 1 4 4 GLU C C 13 176.712 0.05 . 1 . . . . . . . . 5874 1 31 . 1 1 5 5 ARG N N 15 120.206 0.05 . 1 . . . . . . . . 5874 1 32 . 1 1 5 5 ARG H H 1 7.931 0.05 . 1 . . . . . . . . 5874 1 33 . 1 1 5 5 ARG CA C 13 59.028 0.05 . 1 . . . . . . . . 5874 1 34 . 1 1 5 5 ARG HA H 1 4.064 0.05 . 1 . . . . . . . . 5874 1 35 . 1 1 5 5 ARG CB C 13 29.213 0.05 . 1 . . . . . . . . 5874 1 36 . 1 1 5 5 ARG HB3 H 1 1.451 0.05 . 1 . . . . . . . . 5874 1 37 . 1 1 5 5 ARG HB2 H 1 1.451 0.05 . 1 . . . . . . . . 5874 1 38 . 1 1 5 5 ARG HG3 H 1 0.924 0.05 . 1 . . . . . . . . 5874 1 39 . 1 1 5 5 ARG HG2 H 1 0.924 0.05 . 1 . . . . . . . . 5874 1 40 . 1 1 5 5 ARG C C 13 177.211 0.05 . 1 . . . . . . . . 5874 1 41 . 1 1 6 6 GLN N N 15 119.359 0.05 . 1 . . . . . . . . 5874 1 42 . 1 1 6 6 GLN H H 1 7.998 0.05 . 1 . . . . . . . . 5874 1 43 . 1 1 6 6 GLN CA C 13 58.417 0.05 . 1 . . . . . . . . 5874 1 44 . 1 1 6 6 GLN HA H 1 4.057 0.05 . 1 . . . . . . . . 5874 1 45 . 1 1 6 6 GLN CB C 13 27.760 0.05 . 1 . . . . . . . . 5874 1 46 . 1 1 6 6 GLN HB3 H 1 2.181 0.05 . 1 . . . . . . . . 5874 1 47 . 1 1 6 6 GLN HG2 H 1 2.411 0.05 . 1 . . . . . . . . 5874 1 48 . 1 1 6 6 GLN NE2 N 15 111.687 0.05 . 1 . . . . . . . . 5874 1 49 . 1 1 6 6 GLN HE21 H 1 6.906 0.05 . 1 . . . . . . . . 5874 1 50 . 1 1 6 6 GLN HE22 H 1 7.447 0.05 . 1 . . . . . . . . 5874 1 51 . 1 1 6 6 GLN C C 13 175.594 0.05 . 1 . . . . . . . . 5874 1 52 . 1 1 7 7 ASP N N 15 119.782 0.05 . 1 . . . . . . . . 5874 1 53 . 1 1 7 7 ASP H H 1 8.322 0.05 . 1 . . . . . . . . 5874 1 54 . 1 1 7 7 ASP CA C 13 56.123 0.05 . 1 . . . . . . . . 5874 1 55 . 1 1 7 7 ASP HA H 1 4.493 0.05 . 1 . . . . . . . . 5874 1 56 . 1 1 7 7 ASP CB C 13 39.610 0.05 . 1 . . . . . . . . 5874 1 57 . 1 1 7 7 ASP HB3 H 1 2.871 0.05 . 1 . . . . . . . . 5874 1 58 . 1 1 7 7 ASP HB2 H 1 2.776 0.05 . 1 . . . . . . . . 5874 1 59 . 1 1 7 7 ASP C C 13 177.451 0.05 . 1 . . . . . . . . 5874 1 60 . 1 1 8 8 ALA N N 15 123.173 0.05 . 1 . . . . . . . . 5874 1 61 . 1 1 8 8 ALA H H 1 8.061 0.05 . 1 . . . . . . . . 5874 1 62 . 1 1 8 8 ALA CA C 13 55.053 0.05 . 1 . . . . . . . . 5874 1 63 . 1 1 8 8 ALA HA H 1 4.326 0.05 . 1 . . . . . . . . 5874 1 64 . 1 1 8 8 ALA CB C 13 18.204 0.05 . 1 . . . . . . . . 5874 1 65 . 1 1 8 8 ALA HB1 H 1 1.829 0.05 . 1 . . . . . . . . 5874 1 66 . 1 1 8 8 ALA HB2 H 1 1.829 0.05 . 1 . . . . . . . . 5874 1 67 . 1 1 8 8 ALA HB3 H 1 1.829 0.05 . 1 . . . . . . . . 5874 1 68 . 1 1 8 8 ALA C C 13 178.449 0.05 . 1 . . . . . . . . 5874 1 69 . 1 1 9 9 LEU N N 15 118.935 0.05 . 1 . . . . . . . . 5874 1 70 . 1 1 9 9 LEU H H 1 8.284 0.05 . 1 . . . . . . . . 5874 1 71 . 1 1 9 9 LEU CA C 13 58.034 0.05 . 1 . . . . . . . . 5874 1 72 . 1 1 9 9 LEU HA H 1 3.947 0.05 . 1 . . . . . . . . 5874 1 73 . 1 1 9 9 LEU CB C 13 41.903 0.05 . 1 . . . . . . . . 5874 1 74 . 1 1 9 9 LEU HB3 H 1 2.052 0.05 . 1 . . . . . . . . 5874 1 75 . 1 1 9 9 LEU HB2 H 1 1.815 0.05 . 1 . . . . . . . . 5874 1 76 . 1 1 9 9 LEU HD21 H 1 0.952 0.05 . 1 . . . . . . . . 5874 1 77 . 1 1 9 9 LEU HD22 H 1 0.952 0.05 . 1 . . . . . . . . 5874 1 78 . 1 1 9 9 LEU HD23 H 1 0.952 0.05 . 1 . . . . . . . . 5874 1 79 . 1 1 9 9 LEU C C 13 177.451 0.05 . 1 . . . . . . . . 5874 1 80 . 1 1 10 10 ARG N N 15 117.875 0.05 . 1 . . . . . . . . 5874 1 81 . 1 1 10 10 ARG H H 1 8.110 0.05 . 1 . . . . . . . . 5874 1 82 . 1 1 10 10 ARG CA C 13 58.438 0.05 . 1 . . . . . . . . 5874 1 83 . 1 1 10 10 ARG HA H 1 3.987 0.05 . 1 . . . . . . . . 5874 1 84 . 1 1 10 10 ARG CB C 13 28.983 0.05 . 1 . . . . . . . . 5874 1 85 . 1 1 10 10 ARG HB3 H 1 2.037 0.05 . 1 . . . . . . . . 5874 1 86 . 1 1 10 10 ARG HB2 H 1 2.009 0.05 . 1 . . . . . . . . 5874 1 87 . 1 1 10 10 ARG HG3 H 1 1.851 0.05 . 1 . . . . . . . . 5874 1 88 . 1 1 10 10 ARG HG2 H 1 1.675 0.05 . 1 . . . . . . . . 5874 1 89 . 1 1 10 10 ARG HD2 H 1 3.290 0.05 . 1 . . . . . . . . 5874 1 90 . 1 1 10 10 ARG NE N 15 110.882 0.05 . 1 . . . . . . . . 5874 1 91 . 1 1 10 10 ARG HE H 1 7.372 0.05 . 1 . . . . . . . . 5874 1 92 . 1 1 10 10 ARG C C 13 179.208 0.05 . 1 . . . . . . . . 5874 1 93 . 1 1 11 11 GLU N N 15 120.457 0.05 . 1 . . . . . . . . 5874 1 94 . 1 1 11 11 GLU H H 1 8.455 0.05 . 1 . . . . . . . . 5874 1 95 . 1 1 11 11 GLU CA C 13 58.438 0.05 . 1 . . . . . . . . 5874 1 96 . 1 1 11 11 GLU HA H 1 4.190 0.05 . 1 . . . . . . . . 5874 1 97 . 1 1 11 11 GLU CB C 13 28.219 0.05 . 1 . . . . . . . . 5874 1 98 . 1 1 11 11 GLU HB3 H 1 2.244 0.05 . 1 . . . . . . . . 5874 1 99 . 1 1 11 11 GLU HB2 H 1 2.072 0.05 . 1 . . . . . . . . 5874 1 100 . 1 1 11 11 GLU HG3 H 1 2.410 0.05 . 1 . . . . . . . . 5874 1 101 . 1 1 11 11 GLU HG2 H 1 2.437 0.05 . 1 . . . . . . . . 5874 1 102 . 1 1 11 11 GLU C C 13 176.952 0.05 . 1 . . . . . . . . 5874 1 103 . 1 1 12 12 PHE N N 15 120.190 0.05 . 1 . . . . . . . . 5874 1 104 . 1 1 12 12 PHE H H 1 8.867 0.05 . 1 . . . . . . . . 5874 1 105 . 1 1 12 12 PHE CA C 13 61.190 0.05 . 1 . . . . . . . . 5874 1 106 . 1 1 12 12 PHE HA H 1 3.730 0.05 . 1 . . . . . . . . 5874 1 107 . 1 1 12 12 PHE CB C 13 39.457 0.05 . 1 . . . . . . . . 5874 1 108 . 1 1 12 12 PHE HB3 H 1 3.317 0.05 . 1 . . . . . . . . 5874 1 109 . 1 1 12 12 PHE HB2 H 1 3.009 0.05 . 1 . . . . . . . . 5874 1 110 . 1 1 12 12 PHE HD1 H 1 6.668 0.05 . 1 . . . . . . . . 5874 1 111 . 1 1 12 12 PHE HE1 H 1 6.525 0.05 . 1 . . . . . . . . 5874 1 112 . 1 1 12 12 PHE HZ H 1 7.055 0.05 . 1 . . . . . . . . 5874 1 113 . 1 1 12 12 PHE C C 13 179.627 0.05 . 1 . . . . . . . . 5874 1 114 . 1 1 13 13 VAL N N 15 121.902 0.05 . 1 . . . . . . . . 5874 1 115 . 1 1 13 13 VAL H H 1 8.647 0.05 . 1 . . . . . . . . 5874 1 116 . 1 1 13 13 VAL CA C 13 66.465 0.05 . 1 . . . . . . . . 5874 1 117 . 1 1 13 13 VAL HA H 1 3.484 0.05 . 1 . . . . . . . . 5874 1 118 . 1 1 13 13 VAL CB C 13 31.888 0.05 . 1 . . . . . . . . 5874 1 119 . 1 1 13 13 VAL HB H 1 2.208 0.05 . 1 . . . . . . . . 5874 1 120 . 1 1 13 13 VAL HG21 H 1 1.098 0.05 . 1 . . . . . . . . 5874 1 121 . 1 1 13 13 VAL HG22 H 1 1.098 0.05 . 1 . . . . . . . . 5874 1 122 . 1 1 13 13 VAL HG23 H 1 1.098 0.05 . 1 . . . . . . . . 5874 1 123 . 1 1 13 13 VAL HG11 H 1 1.018 0.05 . 1 . . . . . . . . 5874 1 124 . 1 1 13 13 VAL HG12 H 1 1.018 0.05 . 1 . . . . . . . . 5874 1 125 . 1 1 13 13 VAL HG13 H 1 1.018 0.05 . 1 . . . . . . . . 5874 1 126 . 1 1 13 13 VAL C C 13 177.571 0.05 . 1 . . . . . . . . 5874 1 127 . 1 1 14 14 ALA N N 15 124.021 0.05 . 1 . . . . . . . . 5874 1 128 . 1 1 14 14 ALA H H 1 8.269 0.05 . 1 . . . . . . . . 5874 1 129 . 1 1 14 14 ALA CA C 13 54.703 0.05 . 1 . . . . . . . . 5874 1 130 . 1 1 14 14 ALA HA H 1 4.091 0.05 . 1 . . . . . . . . 5874 1 131 . 1 1 14 14 ALA CB C 13 17.898 0.05 . 1 . . . . . . . . 5874 1 132 . 1 1 14 14 ALA HB1 H 1 1.541 0.05 . 1 . . . . . . . . 5874 1 133 . 1 1 14 14 ALA HB2 H 1 1.541 0.05 . 1 . . . . . . . . 5874 1 134 . 1 1 14 14 ALA HB3 H 1 1.541 0.05 . 1 . . . . . . . . 5874 1 135 . 1 1 14 14 ALA C C 13 179.268 0.05 . 1 . . . . . . . . 5874 1 136 . 1 1 15 15 VAL N N 15 114.061 0.05 . 1 . . . . . . . . 5874 1 137 . 1 1 15 15 VAL H H 1 7.926 0.05 . 1 . . . . . . . . 5874 1 138 . 1 1 15 15 VAL CA C 13 64.368 0.05 . 1 . . . . . . . . 5874 1 139 . 1 1 15 15 VAL HA H 1 3.852 0.05 . 1 . . . . . . . . 5874 1 140 . 1 1 15 15 VAL CB C 13 32.347 0.05 . 1 . . . . . . . . 5874 1 141 . 1 1 15 15 VAL HB H 1 1.918 0.05 . 1 . . . . . . . . 5874 1 142 . 1 1 15 15 VAL HG21 H 1 1.028 0.05 . 1 . . . . . . . . 5874 1 143 . 1 1 15 15 VAL HG22 H 1 1.028 0.05 . 1 . . . . . . . . 5874 1 144 . 1 1 15 15 VAL HG23 H 1 1.028 0.05 . 1 . . . . . . . . 5874 1 145 . 1 1 15 15 VAL HG11 H 1 0.913 0.05 . 1 . . . . . . . . 5874 1 146 . 1 1 15 15 VAL HG12 H 1 0.913 0.05 . 1 . . . . . . . . 5874 1 147 . 1 1 15 15 VAL HG13 H 1 0.913 0.05 . 1 . . . . . . . . 5874 1 148 . 1 1 15 15 VAL C C 13 176.952 0.05 . 1 . . . . . . . . 5874 1 149 . 1 1 16 16 THR N N 15 106.219 0.05 . 1 . . . . . . . . 5874 1 150 . 1 1 16 16 THR H H 1 7.529 0.05 . 1 . . . . . . . . 5874 1 151 . 1 1 16 16 THR CA C 13 62.435 0.05 . 1 . . . . . . . . 5874 1 152 . 1 1 16 16 THR HA H 1 4.150 0.05 . 1 . . . . . . . . 5874 1 153 . 1 1 16 16 THR CB C 13 71.184 0.05 . 1 . . . . . . . . 5874 1 154 . 1 1 16 16 THR HB H 1 3.317 0.05 . 1 . . . . . . . . 5874 1 155 . 1 1 16 16 THR HG21 H 1 -0.154 0.05 . 1 . . . . . . . . 5874 1 156 . 1 1 16 16 THR HG22 H 1 -0.154 0.05 . 1 . . . . . . . . 5874 1 157 . 1 1 16 16 THR HG23 H 1 -0.154 0.05 . 1 . . . . . . . . 5874 1 158 . 1 1 16 16 THR C C 13 176.513 0.05 . 1 . . . . . . . . 5874 1 159 . 1 1 17 17 GLY N N 15 112.789 0.05 . 1 . . . . . . . . 5874 1 160 . 1 1 17 17 GLY H H 1 8.694 0.05 . 1 . . . . . . . . 5874 1 161 . 1 1 17 17 GLY CA C 13 45.004 0.05 . 1 . . . . . . . . 5874 1 162 . 1 1 17 17 GLY HA3 H 1 4.137 0.05 . 1 . . . . . . . . 5874 1 163 . 1 1 17 17 GLY HA2 H 1 3.810 0.05 . 1 . . . . . . . . 5874 1 164 . 1 1 17 17 GLY C C 13 173.099 0.05 . 1 . . . . . . . . 5874 1 165 . 1 1 18 18 ALA N N 15 122.113 0.05 . 1 . . . . . . . . 5874 1 166 . 1 1 18 18 ALA H H 1 7.951 0.05 . 1 . . . . . . . . 5874 1 167 . 1 1 18 18 ALA CA C 13 51.361 0.05 . 1 . . . . . . . . 5874 1 168 . 1 1 18 18 ALA HA H 1 4.284 0.05 . 1 . . . . . . . . 5874 1 169 . 1 1 18 18 ALA CB C 13 19.656 0.05 . 1 . . . . . . . . 5874 1 170 . 1 1 18 18 ALA HB1 H 1 1.339 0.05 . 1 . . . . . . . . 5874 1 171 . 1 1 18 18 ALA HB2 H 1 1.339 0.05 . 1 . . . . . . . . 5874 1 172 . 1 1 18 18 ALA HB3 H 1 1.339 0.05 . 1 . . . . . . . . 5874 1 173 . 1 1 18 18 ALA C C 13 175.714 0.05 . 1 . . . . . . . . 5874 1 174 . 1 1 19 19 GLU N N 15 117.875 0.05 . 1 . . . . . . . . 5874 1 175 . 1 1 19 19 GLU H H 1 8.634 0.05 . 1 . . . . . . . . 5874 1 176 . 1 1 19 19 GLU CA C 13 55.751 0.05 . 1 . . . . . . . . 5874 1 177 . 1 1 19 19 GLU HA H 1 4.299 0.05 . 1 . . . . . . . . 5874 1 178 . 1 1 19 19 GLU CB C 13 29.671 0.05 . 1 . . . . . . . . 5874 1 179 . 1 1 19 19 GLU HB3 H 1 2.360 0.05 . 1 . . . . . . . . 5874 1 180 . 1 1 19 19 GLU HB2 H 1 2.062 0.05 . 1 . . . . . . . . 5874 1 181 . 1 1 19 19 GLU HG3 H 1 2.563 0.05 . 1 . . . . . . . . 5874 1 182 . 1 1 19 19 GLU HG2 H 1 2.548 0.05 . 1 . . . . . . . . 5874 1 183 . 1 1 19 19 GLU C C 13 174.017 0.05 . 1 . . . . . . . . 5874 1 184 . 1 1 20 20 GLU N N 15 123.173 0.05 . 1 . . . . . . . . 5874 1 185 . 1 1 20 20 GLU H H 1 8.976 0.05 . 1 . . . . . . . . 5874 1 186 . 1 1 20 20 GLU CA C 13 60.371 0.05 . 1 . . . . . . . . 5874 1 187 . 1 1 20 20 GLU HA H 1 3.677 0.05 . 1 . . . . . . . . 5874 1 188 . 1 1 20 20 GLU CB C 13 29.213 0.05 . 1 . . . . . . . . 5874 1 189 . 1 1 20 20 GLU HB3 H 1 2.066 0.05 . 1 . . . . . . . . 5874 1 190 . 1 1 20 20 GLU HB2 H 1 2.066 0.05 . 1 . . . . . . . . 5874 1 191 . 1 1 20 20 GLU HG3 H 1 2.365 0.05 . 1 . . . . . . . . 5874 1 192 . 1 1 20 20 GLU HG2 H 1 2.181 0.05 . 1 . . . . . . . . 5874 1 193 . 1 1 20 20 GLU C C 13 175.514 0.05 . 1 . . . . . . . . 5874 1 194 . 1 1 21 21 ASP N N 15 116.392 0.05 . 1 . . . . . . . . 5874 1 195 . 1 1 21 21 ASP H H 1 8.939 0.05 . 1 . . . . . . . . 5874 1 196 . 1 1 21 21 ASP CA C 13 56.734 0.05 . 1 . . . . . . . . 5874 1 197 . 1 1 21 21 ASP HA H 1 4.360 0.05 . 1 . . . . . . . . 5874 1 198 . 1 1 21 21 ASP CB C 13 38.922 0.05 . 1 . . . . . . . . 5874 1 199 . 1 1 21 21 ASP HB3 H 1 2.684 0.05 . 1 . . . . . . . . 5874 1 200 . 1 1 21 21 ASP HB2 H 1 2.684 0.05 . 1 . . . . . . . . 5874 1 201 . 1 1 21 21 ASP C C 13 178.030 0.05 . 1 . . . . . . . . 5874 1 202 . 1 1 22 22 ARG N N 15 122.095 0.05 . 1 . . . . . . . . 5874 1 203 . 1 1 22 22 ARG H H 1 7.315 0.05 . 1 . . . . . . . . 5874 1 204 . 1 1 22 22 ARG CA C 13 57.520 0.05 . 1 . . . . . . . . 5874 1 205 . 1 1 22 22 ARG HA H 1 4.244 0.05 . 1 . . . . . . . . 5874 1 206 . 1 1 22 22 ARG CB C 13 29.595 0.05 . 1 . . . . . . . . 5874 1 207 . 1 1 22 22 ARG HB3 H 1 2.171 0.05 . 1 . . . . . . . . 5874 1 208 . 1 1 22 22 ARG HB2 H 1 2.069 0.05 . 1 . . . . . . . . 5874 1 209 . 1 1 22 22 ARG HG3 H 1 1.896 0.05 . 1 . . . . . . . . 5874 1 210 . 1 1 22 22 ARG HG2 H 1 1.896 0.05 . 1 . . . . . . . . 5874 1 211 . 1 1 22 22 ARG HD3 H 1 3.431 0.05 . 1 . . . . . . . . 5874 1 212 . 1 1 22 22 ARG HD2 H 1 3.431 0.05 . 1 . . . . . . . . 5874 1 213 . 1 1 22 22 ARG C C 13 176.992 0.05 . 1 . . . . . . . . 5874 1 214 . 1 1 23 23 ALA N N 15 121.266 0.05 . 1 . . . . . . . . 5874 1 215 . 1 1 23 23 ALA H H 1 8.317 0.05 . 1 . . . . . . . . 5874 1 216 . 1 1 23 23 ALA CA C 13 54.211 0.05 . 1 . . . . . . . . 5874 1 217 . 1 1 23 23 ALA HA H 1 3.221 0.05 . 1 . . . . . . . . 5874 1 218 . 1 1 23 23 ALA CB C 13 19.962 0.05 . 1 . . . . . . . . 5874 1 219 . 1 1 23 23 ALA HB1 H 1 1.115 0.05 . 1 . . . . . . . . 5874 1 220 . 1 1 23 23 ALA HB2 H 1 1.115 0.05 . 1 . . . . . . . . 5874 1 221 . 1 1 23 23 ALA HB3 H 1 1.115 0.05 . 1 . . . . . . . . 5874 1 222 . 1 1 23 23 ALA C C 13 177.730 0.05 . 1 . . . . . . . . 5874 1 223 . 1 1 24 24 ARG N N 15 116.204 0.05 . 1 . . . . . . . . 5874 1 224 . 1 1 24 24 ARG H H 1 8.426 0.05 . 1 . . . . . . . . 5874 1 225 . 1 1 24 24 ARG CA C 13 59.650 0.05 . 1 . . . . . . . . 5874 1 226 . 1 1 24 24 ARG HA H 1 3.402 0.05 . 1 . . . . . . . . 5874 1 227 . 1 1 24 24 ARG CB C 13 29.213 0.05 . 1 . . . . . . . . 5874 1 228 . 1 1 24 24 ARG HB3 H 1 1.914 0.05 . 1 . . . . . . . . 5874 1 229 . 1 1 24 24 ARG HB2 H 1 1.830 0.05 . 1 . . . . . . . . 5874 1 230 . 1 1 24 24 ARG HG3 H 1 1.640 0.05 . 1 . . . . . . . . 5874 1 231 . 1 1 24 24 ARG HG2 H 1 1.640 0.05 . 1 . . . . . . . . 5874 1 232 . 1 1 24 24 ARG C C 13 176.213 0.05 . 1 . . . . . . . . 5874 1 233 . 1 1 25 25 PHE N N 15 118.914 0.05 . 1 . . . . . . . . 5874 1 234 . 1 1 25 25 PHE H H 1 7.440 0.05 . 1 . . . . . . . . 5874 1 235 . 1 1 25 25 PHE CA C 13 60.731 0.05 . 1 . . . . . . . . 5874 1 236 . 1 1 25 25 PHE HA H 1 4.088 0.05 . 1 . . . . . . . . 5874 1 237 . 1 1 25 25 PHE CB C 13 37.775 0.05 . 1 . . . . . . . . 5874 1 238 . 1 1 25 25 PHE HB3 H 1 3.129 0.05 . 1 . . . . . . . . 5874 1 239 . 1 1 25 25 PHE HB2 H 1 3.129 0.05 . 1 . . . . . . . . 5874 1 240 . 1 1 25 25 PHE HD1 H 1 6.577 0.05 . 1 . . . . . . . . 5874 1 241 . 1 1 25 25 PHE HE1 H 1 6.938 0.05 . 1 . . . . . . . . 5874 1 242 . 1 1 25 25 PHE HZ H 1 7.480 0.05 . 1 . . . . . . . . 5874 1 243 . 1 1 25 25 PHE HE2 H 1 6.938 0.05 . 1 . . . . . . . . 5874 1 244 . 1 1 25 25 PHE HD2 H 1 6.577 0.05 . 1 . . . . . . . . 5874 1 245 . 1 1 25 25 PHE C C 13 177.830 0.05 . 1 . . . . . . . . 5874 1 246 . 1 1 26 26 PHE N N 15 118.708 0.05 . 1 . . . . . . . . 5874 1 247 . 1 1 26 26 PHE H H 1 7.820 0.05 . 1 . . . . . . . . 5874 1 248 . 1 1 26 26 PHE CA C 13 62.402 0.05 . 1 . . . . . . . . 5874 1 249 . 1 1 26 26 PHE HA H 1 3.640 0.05 . 1 . . . . . . . . 5874 1 250 . 1 1 26 26 PHE CB C 13 38.692 0.05 . 1 . . . . . . . . 5874 1 251 . 1 1 26 26 PHE HB3 H 1 2.894 0.05 . 1 . . . . . . . . 5874 1 252 . 1 1 26 26 PHE HB2 H 1 2.592 0.05 . 1 . . . . . . . . 5874 1 253 . 1 1 26 26 PHE HD1 H 1 7.597 0.05 . 1 . . . . . . . . 5874 1 254 . 1 1 26 26 PHE HE1 H 1 7.459 0.05 . 1 . . . . . . . . 5874 1 255 . 1 1 26 26 PHE HZ H 1 7.166 0.05 . 1 . . . . . . . . 5874 1 256 . 1 1 26 26 PHE C C 13 178.170 0.05 . 1 . . . . . . . . 5874 1 257 . 1 1 27 27 LEU N N 15 120.609 0.05 . 1 . . . . . . . . 5874 1 258 . 1 1 27 27 LEU H H 1 8.045 0.05 . 1 . . . . . . . . 5874 1 259 . 1 1 27 27 LEU CA C 13 57.815 0.05 . 1 . . . . . . . . 5874 1 260 . 1 1 27 27 LEU HA H 1 3.238 0.05 . 1 . . . . . . . . 5874 1 261 . 1 1 27 27 LEU CB C 13 38.769 0.05 . 1 . . . . . . . . 5874 1 262 . 1 1 27 27 LEU HB3 H 1 0.693 0.05 . 1 . . . . . . . . 5874 1 263 . 1 1 27 27 LEU HB2 H 1 -0.434 0.05 . 1 . . . . . . . . 5874 1 264 . 1 1 27 27 LEU HG H 1 0.787 0.05 . 1 . . . . . . . . 5874 1 265 . 1 1 27 27 LEU HD11 H 1 0.523 0.05 . 1 . . . . . . . . 5874 1 266 . 1 1 27 27 LEU HD12 H 1 0.523 0.05 . 1 . . . . . . . . 5874 1 267 . 1 1 27 27 LEU HD13 H 1 0.523 0.05 . 1 . . . . . . . . 5874 1 268 . 1 1 27 27 LEU HD21 H 1 0.520 0.05 . 1 . . . . . . . . 5874 1 269 . 1 1 27 27 LEU HD22 H 1 0.520 0.05 . 1 . . . . . . . . 5874 1 270 . 1 1 27 27 LEU HD23 H 1 0.520 0.05 . 1 . . . . . . . . 5874 1 271 . 1 1 27 27 LEU C C 13 177.810 0.05 . 1 . . . . . . . . 5874 1 272 . 1 1 28 28 GLU N N 15 120.460 0.05 . 1 . . . . . . . . 5874 1 273 . 1 1 28 28 GLU H H 1 8.531 0.05 . 1 . . . . . . . . 5874 1 274 . 1 1 28 28 GLU CA C 13 59.027 0.05 . 1 . . . . . . . . 5874 1 275 . 1 1 28 28 GLU HA H 1 3.356 0.05 . 1 . . . . . . . . 5874 1 276 . 1 1 28 28 GLU CB C 13 28.372 0.05 . 1 . . . . . . . . 5874 1 277 . 1 1 28 28 GLU HB3 H 1 1.966 0.05 . 1 . . . . . . . . 5874 1 278 . 1 1 28 28 GLU HB2 H 1 1.831 0.05 . 1 . . . . . . . . 5874 1 279 . 1 1 28 28 GLU HG3 H 1 2.321 0.05 . 1 . . . . . . . . 5874 1 280 . 1 1 28 28 GLU HG2 H 1 2.317 0.05 . 1 . . . . . . . . 5874 1 281 . 1 1 28 28 GLU C C 13 180.164 0.05 . 1 . . . . . . . . 5874 1 282 . 1 1 29 29 SER N N 15 115.099 0.05 . 1 . . . . . . . . 5874 1 283 . 1 1 29 29 SER H H 1 7.446 0.05 . 1 . . . . . . . . 5874 1 284 . 1 1 29 29 SER CA C 13 60.535 0.05 . 1 . . . . . . . . 5874 1 285 . 1 1 29 29 SER HA H 1 4.002 0.05 . 1 . . . . . . . . 5874 1 286 . 1 1 29 29 SER CB C 13 61.857 0.05 . 1 . . . . . . . . 5874 1 287 . 1 1 29 29 SER HB3 H 1 3.590 0.05 . 1 . . . . . . . . 5874 1 288 . 1 1 29 29 SER HB2 H 1 3.545 0.05 . 1 . . . . . . . . 5874 1 289 . 1 1 29 29 SER C C 13 173.216 0.05 . 1 . . . . . . . . 5874 1 290 . 1 1 30 30 ALA N N 15 121.266 0.05 . 1 . . . . . . . . 5874 1 291 . 1 1 30 30 ALA H H 1 7.060 0.05 . 1 . . . . . . . . 5874 1 292 . 1 1 30 30 ALA CA C 13 50.476 0.05 . 1 . . . . . . . . 5874 1 293 . 1 1 30 30 ALA HA H 1 4.480 0.05 . 1 . . . . . . . . 5874 1 294 . 1 1 30 30 ALA CB C 13 20.039 0.05 . 1 . . . . . . . . 5874 1 295 . 1 1 30 30 ALA HB1 H 1 1.480 0.05 . 1 . . . . . . . . 5874 1 296 . 1 1 30 30 ALA HB2 H 1 1.480 0.05 . 1 . . . . . . . . 5874 1 297 . 1 1 30 30 ALA HB3 H 1 1.480 0.05 . 1 . . . . . . . . 5874 1 298 . 1 1 30 30 ALA C C 13 177.549 0.05 . 1 . . . . . . . . 5874 1 299 . 1 1 31 31 GLY N N 15 110.458 0.05 . 1 . . . . . . . . 5874 1 300 . 1 1 31 31 GLY H H 1 7.808 0.05 . 1 . . . . . . . . 5874 1 301 . 1 1 31 31 GLY CA C 13 47.200 0.05 . 1 . . . . . . . . 5874 1 302 . 1 1 31 31 GLY HA3 H 1 4.012 0.05 . 1 . . . . . . . . 5874 1 303 . 1 1 31 31 GLY HA2 H 1 3.879 0.05 . 1 . . . . . . . . 5874 1 304 . 1 1 31 31 GLY C C 13 171.759 0.05 . 1 . . . . . . . . 5874 1 305 . 1 1 32 32 TRP N N 15 110.670 0.05 . 1 . . . . . . . . 5874 1 306 . 1 1 32 32 TRP H H 1 8.813 0.05 . 1 . . . . . . . . 5874 1 307 . 1 1 32 32 TRP CA C 13 59.322 0.05 . 1 . . . . . . . . 5874 1 308 . 1 1 32 32 TRP HA H 1 3.574 0.05 . 1 . . . . . . . . 5874 1 309 . 1 1 32 32 TRP CB C 13 23.632 0.05 . 1 . . . . . . . . 5874 1 310 . 1 1 32 32 TRP HB3 H 1 3.267 0.05 . 1 . . . . . . . . 5874 1 311 . 1 1 32 32 TRP HB2 H 1 3.108 0.05 . 1 . . . . . . . . 5874 1 312 . 1 1 32 32 TRP HD1 H 1 7.055 0.05 . 1 . . . . . . . . 5874 1 313 . 1 1 32 32 TRP NE1 N 15 129.799 0.05 . 1 . . . . . . . . 5874 1 314 . 1 1 32 32 TRP HE1 H 1 10.236 0.05 . 1 . . . . . . . . 5874 1 315 . 1 1 32 32 TRP HZ2 H 1 6.961 0.05 . 1 . . . . . . . . 5874 1 316 . 1 1 32 32 TRP HH2 H 1 7.164 0.05 . 1 . . . . . . . . 5874 1 317 . 1 1 32 32 TRP HE3 H 1 7.415 0.05 . 1 . . . . . . . . 5874 1 318 . 1 1 32 32 TRP C C 13 174.354 0.05 . 1 . . . . . . . . 5874 1 319 . 1 1 33 33 ASP N N 15 118.511 0.05 . 1 . . . . . . . . 5874 1 320 . 1 1 33 33 ASP H H 1 6.867 0.05 . 1 . . . . . . . . 5874 1 321 . 1 1 33 33 ASP CA C 13 52.704 0.05 . 1 . . . . . . . . 5874 1 322 . 1 1 33 33 ASP HA H 1 4.806 0.05 . 1 . . . . . . . . 5874 1 323 . 1 1 33 33 ASP CB C 13 41.674 0.05 . 1 . . . . . . . . 5874 1 324 . 1 1 33 33 ASP HB3 H 1 3.121 0.05 . 1 . . . . . . . . 5874 1 325 . 1 1 33 33 ASP HB2 H 1 2.510 0.05 . 1 . . . . . . . . 5874 1 326 . 1 1 33 33 ASP C C 13 174.953 0.05 . 1 . . . . . . . . 5874 1 327 . 1 1 34 34 LEU N N 15 128.212 0.05 . 1 . . . . . . . . 5874 1 328 . 1 1 34 34 LEU H H 1 8.814 0.05 . 1 . . . . . . . . 5874 1 329 . 1 1 34 34 LEU CA C 13 58.012 0.05 . 1 . . . . . . . . 5874 1 330 . 1 1 34 34 LEU HA H 1 3.953 0.05 . 1 . . . . . . . . 5874 1 331 . 1 1 34 34 LEU CB C 13 41.827 0.05 . 1 . . . . . . . . 5874 1 332 . 1 1 34 34 LEU HB3 H 1 1.607 0.05 . 1 . . . . . . . . 5874 1 333 . 1 1 34 34 LEU HB2 H 1 1.603 0.05 . 1 . . . . . . . . 5874 1 334 . 1 1 34 34 LEU HG H 1 1.936 0.05 . 1 . . . . . . . . 5874 1 335 . 1 1 34 34 LEU HD11 H 1 1.011 0.05 . 1 . . . . . . . . 5874 1 336 . 1 1 34 34 LEU HD12 H 1 1.011 0.05 . 1 . . . . . . . . 5874 1 337 . 1 1 34 34 LEU HD13 H 1 1.011 0.05 . 1 . . . . . . . . 5874 1 338 . 1 1 34 34 LEU HD21 H 1 1.147 0.05 . 1 . . . . . . . . 5874 1 339 . 1 1 34 34 LEU HD22 H 1 1.147 0.05 . 1 . . . . . . . . 5874 1 340 . 1 1 34 34 LEU HD23 H 1 1.147 0.05 . 1 . . . . . . . . 5874 1 341 . 1 1 34 34 LEU C C 13 176.650 0.05 . 1 . . . . . . . . 5874 1 342 . 1 1 35 35 GLN N N 15 115.544 0.05 . 1 . . . . . . . . 5874 1 343 . 1 1 35 35 GLN H H 1 8.097 0.05 . 1 . . . . . . . . 5874 1 344 . 1 1 35 35 GLN CA C 13 58.929 0.05 . 1 . . . . . . . . 5874 1 345 . 1 1 35 35 GLN HA H 1 4.021 0.05 . 1 . . . . . . . . 5874 1 346 . 1 1 35 35 GLN CB C 13 29.518 0.05 . 1 . . . . . . . . 5874 1 347 . 1 1 35 35 GLN HB3 H 1 2.366 0.05 . 1 . . . . . . . . 5874 1 348 . 1 1 35 35 GLN HB2 H 1 2.086 0.05 . 1 . . . . . . . . 5874 1 349 . 1 1 35 35 GLN HG2 H 1 2.493 0.05 . 1 . . . . . . . . 5874 1 350 . 1 1 35 35 GLN NE2 N 15 112.469 0.05 . 1 . . . . . . . . 5874 1 351 . 1 1 35 35 GLN HE21 H 1 6.907 0.05 . 1 . . . . . . . . 5874 1 352 . 1 1 35 35 GLN HE22 H 1 7.637 0.05 . 1 . . . . . . . . 5874 1 353 . 1 1 35 35 GLN C C 13 179.206 0.05 . 1 . . . . . . . . 5874 1 354 . 1 1 36 36 ILE N N 15 122.060 0.05 . 1 . . . . . . . . 5874 1 355 . 1 1 36 36 ILE H H 1 8.122 0.05 . 1 . . . . . . . . 5874 1 356 . 1 1 36 36 ILE CA C 13 63.877 0.05 . 1 . . . . . . . . 5874 1 357 . 1 1 36 36 ILE HA H 1 4.224 0.05 . 1 . . . . . . . . 5874 1 358 . 1 1 36 36 ILE CB C 13 37.316 0.05 . 1 . . . . . . . . 5874 1 359 . 1 1 36 36 ILE HB H 1 1.918 0.05 . 1 . . . . . . . . 5874 1 360 . 1 1 36 36 ILE HG13 H 1 1.475 0.05 . 1 . . . . . . . . 5874 1 361 . 1 1 36 36 ILE HG12 H 1 1.158 0.05 . 1 . . . . . . . . 5874 1 362 . 1 1 36 36 ILE HD11 H 1 0.883 0.05 . 1 . . . . . . . . 5874 1 363 . 1 1 36 36 ILE HD12 H 1 0.883 0.05 . 1 . . . . . . . . 5874 1 364 . 1 1 36 36 ILE HD13 H 1 0.883 0.05 . 1 . . . . . . . . 5874 1 365 . 1 1 36 36 ILE HG21 H 1 0.992 0.05 . 1 . . . . . . . . 5874 1 366 . 1 1 36 36 ILE HG22 H 1 0.992 0.05 . 1 . . . . . . . . 5874 1 367 . 1 1 36 36 ILE HG23 H 1 0.992 0.05 . 1 . . . . . . . . 5874 1 368 . 1 1 36 36 ILE C C 13 177.748 0.05 . 1 . . . . . . . . 5874 1 369 . 1 1 37 37 ALA N N 15 123.809 0.05 . 1 . . . . . . . . 5874 1 370 . 1 1 37 37 ALA H H 1 8.480 0.05 . 1 . . . . . . . . 5874 1 371 . 1 1 37 37 ALA CA C 13 54.899 0.05 . 1 . . . . . . . . 5874 1 372 . 1 1 37 37 ALA HA H 1 4.012 0.05 . 1 . . . . . . . . 5874 1 373 . 1 1 37 37 ALA CB C 13 18.586 0.05 . 1 . . . . . . . . 5874 1 374 . 1 1 37 37 ALA HB1 H 1 1.367 0.05 . 1 . . . . . . . . 5874 1 375 . 1 1 37 37 ALA HB2 H 1 1.367 0.05 . 1 . . . . . . . . 5874 1 376 . 1 1 37 37 ALA HB3 H 1 1.367 0.05 . 1 . . . . . . . . 5874 1 377 . 1 1 37 37 ALA C C 13 179.166 0.05 . 1 . . . . . . . . 5874 1 378 . 1 1 38 38 LEU N N 15 118.299 0.05 . 1 . . . . . . . . 5874 1 379 . 1 1 38 38 LEU H H 1 8.707 0.05 . 1 . . . . . . . . 5874 1 380 . 1 1 38 38 LEU CA C 13 57.160 0.05 . 1 . . . . . . . . 5874 1 381 . 1 1 38 38 LEU HA H 1 3.720 0.05 . 1 . . . . . . . . 5874 1 382 . 1 1 38 38 LEU CB C 13 41.598 0.05 . 1 . . . . . . . . 5874 1 383 . 1 1 38 38 LEU HB3 H 1 1.921 0.05 . 1 . . . . . . . . 5874 1 384 . 1 1 38 38 LEU HB2 H 1 1.358 0.05 . 1 . . . . . . . . 5874 1 385 . 1 1 38 38 LEU HG H 1 1.679 0.05 . 1 . . . . . . . . 5874 1 386 . 1 1 38 38 LEU HD11 H 1 0.091 0.05 . 1 . . . . . . . . 5874 1 387 . 1 1 38 38 LEU HD12 H 1 0.091 0.05 . 1 . . . . . . . . 5874 1 388 . 1 1 38 38 LEU HD13 H 1 0.091 0.05 . 1 . . . . . . . . 5874 1 389 . 1 1 38 38 LEU HD21 H 1 0.768 0.05 . 1 . . . . . . . . 5874 1 390 . 1 1 38 38 LEU HD22 H 1 0.768 0.05 . 1 . . . . . . . . 5874 1 391 . 1 1 38 38 LEU HD23 H 1 0.768 0.05 . 1 . . . . . . . . 5874 1 392 . 1 1 38 38 LEU C C 13 177.189 0.05 . 1 . . . . . . . . 5874 1 393 . 1 1 39 39 ALA N N 15 120.418 0.05 . 1 . . . . . . . . 5874 1 394 . 1 1 39 39 ALA H H 1 7.773 0.05 . 1 . . . . . . . . 5874 1 395 . 1 1 39 39 ALA CA C 13 54.866 0.05 . 1 . . . . . . . . 5874 1 396 . 1 1 39 39 ALA HA H 1 4.216 0.05 . 1 . . . . . . . . 5874 1 397 . 1 1 39 39 ALA CB C 13 17.592 0.05 . 1 . . . . . . . . 5874 1 398 . 1 1 39 39 ALA HB1 H 1 1.561 0.05 . 1 . . . . . . . . 5874 1 399 . 1 1 39 39 ALA HB2 H 1 1.561 0.05 . 1 . . . . . . . . 5874 1 400 . 1 1 39 39 ALA HB3 H 1 1.561 0.05 . 1 . . . . . . . . 5874 1 401 . 1 1 39 39 ALA C C 13 180.423 0.05 . 1 . . . . . . . . 5874 1 402 . 1 1 40 40 SER N N 15 114.061 0.05 . 1 . . . . . . . . 5874 1 403 . 1 1 40 40 SER H H 1 8.364 0.05 . 1 . . . . . . . . 5874 1 404 . 1 1 40 40 SER CA C 13 60.993 0.05 . 1 . . . . . . . . 5874 1 405 . 1 1 40 40 SER HA H 1 4.288 0.05 . 1 . . . . . . . . 5874 1 406 . 1 1 40 40 SER CB C 13 62.392 0.05 . 1 . . . . . . . . 5874 1 407 . 1 1 40 40 SER HB3 H 1 4.169 0.05 . 1 . . . . . . . . 5874 1 408 . 1 1 40 40 SER HB2 H 1 4.077 0.05 . 1 . . . . . . . . 5874 1 409 . 1 1 40 40 SER C C 13 175.013 0.05 . 1 . . . . . . . . 5874 1 410 . 1 1 41 41 PHE N N 15 123.809 0.05 . 1 . . . . . . . . 5874 1 411 . 1 1 41 41 PHE H H 1 8.143 0.05 . 1 . . . . . . . . 5874 1 412 . 1 1 41 41 PHE CA C 13 60.634 0.05 . 1 . . . . . . . . 5874 1 413 . 1 1 41 41 PHE HA H 1 3.262 0.05 . 1 . . . . . . . . 5874 1 414 . 1 1 41 41 PHE CB C 13 38.616 0.05 . 1 . . . . . . . . 5874 1 415 . 1 1 41 41 PHE HB3 H 1 2.806 0.05 . 1 . . . . . . . . 5874 1 416 . 1 1 41 41 PHE HB2 H 1 2.312 0.05 . 1 . . . . . . . . 5874 1 417 . 1 1 41 41 PHE HD1 H 1 5.873 0.05 . 1 . . . . . . . . 5874 1 418 . 1 1 41 41 PHE HE1 H 1 6.462 0.05 . 1 . . . . . . . . 5874 1 419 . 1 1 41 41 PHE HZ H 1 6.989 0.05 . 1 . . . . . . . . 5874 1 420 . 1 1 41 41 PHE C C 13 176.730 0.05 . 1 . . . . . . . . 5874 1 421 . 1 1 42 42 TYR N N 15 116.604 0.05 . 1 . . . . . . . . 5874 1 422 . 1 1 42 42 TYR H H 1 8.060 0.05 . 1 . . . . . . . . 5874 1 423 . 1 1 42 42 TYR CA C 13 60.052 0.05 . 1 . . . . . . . . 5874 1 424 . 1 1 42 42 TYR HA H 1 4.220 0.05 . 1 . . . . . . . . 5874 1 425 . 1 1 42 42 TYR CB C 13 37.163 0.05 . 1 . . . . . . . . 5874 1 426 . 1 1 42 42 TYR HB3 H 1 3.225 0.05 . 1 . . . . . . . . 5874 1 427 . 1 1 42 42 TYR HB2 H 1 2.815 0.05 . 1 . . . . . . . . 5874 1 428 . 1 1 42 42 TYR HD1 H 1 7.218 0.05 . 1 . . . . . . . . 5874 1 429 . 1 1 42 42 TYR HE1 H 1 6.719 0.05 . 1 . . . . . . . . 5874 1 430 . 1 1 42 42 TYR C C 13 177.309 0.05 . 1 . . . . . . . . 5874 1 431 . 1 1 43 43 GLU N N 15 120.418 0.05 . 1 . . . . . . . . 5874 1 432 . 1 1 43 43 GLU H H 1 8.028 0.05 . 1 . . . . . . . . 5874 1 433 . 1 1 43 43 GLU CA C 13 57.127 0.05 . 1 . . . . . . . . 5874 1 434 . 1 1 43 43 GLU HA H 1 4.203 0.05 . 1 . . . . . . . . 5874 1 435 . 1 1 43 43 GLU CB C 13 28.601 0.05 . 1 . . . . . . . . 5874 1 436 . 1 1 43 43 GLU HB3 H 1 2.186 0.05 . 1 . . . . . . . . 5874 1 437 . 1 1 43 43 GLU HB2 H 1 2.186 0.05 . 1 . . . . . . . . 5874 1 438 . 1 1 43 43 GLU HG3 H 1 2.483 0.05 . 1 . . . . . . . . 5874 1 439 . 1 1 43 43 GLU HG2 H 1 2.483 0.05 . 1 . . . . . . . . 5874 1 440 . 1 1 43 43 GLU C C 13 176.411 0.05 . 1 . . . . . . . . 5874 1 441 . 1 1 44 44 ASP N N 15 118.299 0.05 . 1 . . . . . . . . 5874 1 442 . 1 1 44 44 ASP H H 1 8.024 0.05 . 1 . . . . . . . . 5874 1 443 . 1 1 44 44 ASP CA C 13 53.621 0.05 . 1 . . . . . . . . 5874 1 444 . 1 1 44 44 ASP HA H 1 4.714 0.05 . 1 . . . . . . . . 5874 1 445 . 1 1 44 44 ASP CB C 13 39.610 0.05 . 1 . . . . . . . . 5874 1 446 . 1 1 44 44 ASP HB3 H 1 2.928 0.05 . 1 . . . . . . . . 5874 1 447 . 1 1 44 44 ASP HB2 H 1 2.823 0.05 . 1 . . . . . . . . 5874 1 448 . 1 1 44 44 ASP C C 13 176.391 0.05 . 1 . . . . . . . . 5874 1 449 . 1 1 45 45 GLY N N 15 109.017 0.05 . 1 . . . . . . . . 5874 1 450 . 1 1 45 45 GLY H H 1 8.016 0.05 . 1 . . . . . . . . 5874 1 451 . 1 1 45 45 GLY CA C 13 45.266 0.05 . 1 . . . . . . . . 5874 1 452 . 1 1 45 45 GLY HA3 H 1 3.901 0.05 . 1 . . . . . . . . 5874 1 453 . 1 1 45 45 GLY HA2 H 1 3.901 0.05 . 1 . . . . . . . . 5874 1 454 . 1 1 45 45 GLY C C 13 174.394 0.05 . 1 . . . . . . . . 5874 1 455 . 1 1 46 46 GLY N N 15 108.127 0.05 . 1 . . . . . . . . 5874 1 456 . 1 1 46 46 GLY H H 1 8.167 0.05 . 1 . . . . . . . . 5874 1 457 . 1 1 46 46 GLY CA C 13 44.972 0.05 . 1 . . . . . . . . 5874 1 458 . 1 1 46 46 GLY HA3 H 1 3.667 0.05 . 1 . . . . . . . . 5874 1 459 . 1 1 46 46 GLY HA2 H 1 3.504 0.05 . 1 . . . . . . . . 5874 1 460 . 1 1 46 46 GLY C C 13 173.116 0.05 . 1 . . . . . . . . 5874 1 461 . 1 1 47 47 ASP N N 15 119.570 0.05 . 1 . . . . . . . . 5874 1 462 . 1 1 47 47 ASP H H 1 8.137 0.05 . 1 . . . . . . . . 5874 1 463 . 1 1 47 47 ASP CA C 13 53.447 0.05 . 1 . . . . . . . . 5874 1 464 . 1 1 47 47 ASP HA H 1 4.615 0.05 . 1 . . . . . . . . 5874 1 465 . 1 1 47 47 ASP CB C 13 39.610 0.05 . 1 . . . . . . . . 5874 1 466 . 1 1 47 47 ASP HB3 H 1 2.814 0.05 . 1 . . . . . . . . 5874 1 467 . 1 1 47 47 ASP HB2 H 1 2.661 0.05 . 1 . . . . . . . . 5874 1 468 . 1 1 48 48 GLU N N 15 120.418 0.05 . 1 . . . . . . . . 5874 1 469 . 1 1 48 48 GLU H H 1 8.352 0.05 . 1 . . . . . . . . 5874 1 470 . 1 1 48 48 GLU CA C 13 55.970 0.05 . 1 . . . . . . . . 5874 1 471 . 1 1 48 48 GLU HA H 1 4.180 0.05 . 1 . . . . . . . . 5874 1 472 . 1 1 48 48 GLU CB C 13 30.206 0.05 . 1 . . . . . . . . 5874 1 473 . 1 1 48 48 GLU HB3 H 1 1.957 0.05 . 1 . . . . . . . . 5874 1 474 . 1 1 48 48 GLU HB2 H 1 1.890 0.05 . 1 . . . . . . . . 5874 1 475 . 1 1 48 48 GLU HG3 H 1 2.326 0.05 . 1 . . . . . . . . 5874 1 476 . 1 1 48 48 GLU HG2 H 1 2.326 0.05 . 1 . . . . . . . . 5874 1 477 . 1 1 49 49 ASP N N 15 120.206 0.05 . 1 . . . . . . . . 5874 1 478 . 1 1 49 49 ASP H H 1 8.354 0.05 . 1 . . . . . . . . 5874 1 479 . 1 1 49 49 ASP CA C 13 53.785 0.05 . 1 . . . . . . . . 5874 1 480 . 1 1 49 49 ASP HA H 1 4.602 0.05 . 1 . . . . . . . . 5874 1 481 . 1 1 49 49 ASP CB C 13 39.839 0.05 . 1 . . . . . . . . 5874 1 482 . 1 1 49 49 ASP HB3 H 1 2.737 0.05 . 1 . . . . . . . . 5874 1 483 . 1 1 49 49 ASP HB2 H 1 2.655 0.05 . 1 . . . . . . . . 5874 1 484 . 1 1 50 50 ILE N N 15 120.206 0.05 . 1 . . . . . . . . 5874 1 485 . 1 1 50 50 ILE H H 1 7.873 0.05 . 1 . . . . . . . . 5874 1 486 . 1 1 50 50 ILE CA C 13 60.862 0.05 . 1 . . . . . . . . 5874 1 487 . 1 1 50 50 ILE HA H 1 4.120 0.05 . 1 . . . . . . . . 5874 1 488 . 1 1 50 50 ILE CB C 13 37.928 0.05 . 1 . . . . . . . . 5874 1 489 . 1 1 50 50 ILE HB H 1 1.880 0.05 . 1 . . . . . . . . 5874 1 490 . 1 1 50 50 ILE HG13 H 1 1.437 0.05 . 1 . . . . . . . . 5874 1 491 . 1 1 50 50 ILE HG12 H 1 1.171 0.05 . 1 . . . . . . . . 5874 1 492 . 1 1 50 50 ILE HD11 H 1 0.856 0.05 . 1 . . . . . . . . 5874 1 493 . 1 1 50 50 ILE HD12 H 1 0.856 0.05 . 1 . . . . . . . . 5874 1 494 . 1 1 50 50 ILE HD13 H 1 0.856 0.05 . 1 . . . . . . . . 5874 1 495 . 1 1 50 50 ILE HG21 H 1 0.856 0.05 . 1 . . . . . . . . 5874 1 496 . 1 1 50 50 ILE HG22 H 1 0.856 0.05 . 1 . . . . . . . . 5874 1 497 . 1 1 50 50 ILE HG23 H 1 0.856 0.05 . 1 . . . . . . . . 5874 1 498 . 1 1 51 51 VAL N N 15 123.597 0.05 . 1 . . . . . . . . 5874 1 499 . 1 1 51 51 VAL H H 1 8.061 0.05 . 1 . . . . . . . . 5874 1 500 . 1 1 51 51 VAL CA C 13 62.369 0.05 . 1 . . . . . . . . 5874 1 501 . 1 1 51 51 VAL HA H 1 4.114 0.05 . 1 . . . . . . . . 5874 1 502 . 1 1 51 51 VAL CB C 13 31.888 0.05 . 1 . . . . . . . . 5874 1 503 . 1 1 51 51 VAL HB H 1 2.086 0.05 . 1 . . . . . . . . 5874 1 504 . 1 1 51 51 VAL HG21 H 1 0.922 0.05 . 1 . . . . . . . . 5874 1 505 . 1 1 51 51 VAL HG22 H 1 0.922 0.05 . 1 . . . . . . . . 5874 1 506 . 1 1 51 51 VAL HG23 H 1 0.922 0.05 . 1 . . . . . . . . 5874 1 507 . 1 1 51 51 VAL HG11 H 1 0.921 0.05 . 1 . . . . . . . . 5874 1 508 . 1 1 51 51 VAL HG12 H 1 0.921 0.05 . 1 . . . . . . . . 5874 1 509 . 1 1 51 51 VAL HG13 H 1 0.921 0.05 . 1 . . . . . . . . 5874 1 510 . 1 1 52 52 THR N N 15 117.621 0.05 . 1 . . . . . . . . 5874 1 511 . 1 1 52 52 THR H H 1 8.213 0.05 . 1 . . . . . . . . 5874 1 512 . 1 1 52 52 THR CA C 13 61.747 0.05 . 1 . . . . . . . . 5874 1 513 . 1 1 52 52 THR HA H 1 4.333 0.05 . 1 . . . . . . . . 5874 1 514 . 1 1 52 52 THR CB C 13 68.661 0.05 . 1 . . . . . . . . 5874 1 515 . 1 1 52 52 THR HB H 1 4.154 0.05 . 1 . . . . . . . . 5874 1 516 . 1 1 52 52 THR HG21 H 1 1.141 0.05 . 1 . . . . . . . . 5874 1 517 . 1 1 52 52 THR HG22 H 1 1.141 0.05 . 1 . . . . . . . . 5874 1 518 . 1 1 52 52 THR HG23 H 1 1.141 0.05 . 1 . . . . . . . . 5874 1 519 . 1 1 53 53 ILE N N 15 122.749 0.05 . 1 . . . . . . . . 5874 1 520 . 1 1 53 53 ILE H H 1 8.122 0.05 . 1 . . . . . . . . 5874 1 521 . 1 1 53 53 ILE CA C 13 60.895 0.05 . 1 . . . . . . . . 5874 1 522 . 1 1 53 53 ILE HA H 1 4.341 0.05 . 1 . . . . . . . . 5874 1 523 . 1 1 53 53 ILE CB C 13 38.081 0.05 . 1 . . . . . . . . 5874 1 524 . 1 1 53 53 ILE HB H 1 1.869 0.05 . 1 . . . . . . . . 5874 1 525 . 1 1 53 53 ILE HG13 H 1 1.466 0.05 . 1 . . . . . . . . 5874 1 526 . 1 1 53 53 ILE HG12 H 1 1.175 0.05 . 1 . . . . . . . . 5874 1 527 . 1 1 53 53 ILE HD11 H 1 0.841 0.05 . 1 . . . . . . . . 5874 1 528 . 1 1 53 53 ILE HD12 H 1 0.841 0.05 . 1 . . . . . . . . 5874 1 529 . 1 1 53 53 ILE HD13 H 1 0.841 0.05 . 1 . . . . . . . . 5874 1 530 . 1 1 53 53 ILE HG21 H 1 0.893 0.05 . 1 . . . . . . . . 5874 1 531 . 1 1 53 53 ILE HG22 H 1 0.893 0.05 . 1 . . . . . . . . 5874 1 532 . 1 1 53 53 ILE HG23 H 1 0.893 0.05 . 1 . . . . . . . . 5874 1 533 . 1 1 54 54 SER N N 15 119.147 0.05 . 1 . . . . . . . . 5874 1 534 . 1 1 54 54 SER H H 1 8.300 0.05 . 1 . . . . . . . . 5874 1 535 . 1 1 54 54 SER HA H 1 4.437 0.05 . 1 . . . . . . . . 5874 1 536 . 1 1 54 54 SER HB3 H 1 3.866 0.05 . 1 . . . . . . . . 5874 1 537 . 1 1 54 54 SER HB2 H 1 3.866 0.05 . 1 . . . . . . . . 5874 1 538 . 1 1 55 55 GLN N N 15 121.902 0.05 . 1 . . . . . . . . 5874 1 539 . 1 1 55 55 GLN H H 1 8.281 0.05 . 1 . . . . . . . . 5874 1 540 . 1 1 55 55 GLN HA H 1 4.350 0.05 . 1 . . . . . . . . 5874 1 541 . 1 1 55 55 GLN HB3 H 1 2.139 0.05 . 1 . . . . . . . . 5874 1 542 . 1 1 55 55 GLN HB2 H 1 1.977 0.05 . 1 . . . . . . . . 5874 1 543 . 1 1 55 55 GLN HG3 H 1 2.370 0.05 . 1 . . . . . . . . 5874 1 544 . 1 1 55 55 GLN HG2 H 1 2.370 0.05 . 1 . . . . . . . . 5874 1 545 . 1 1 56 56 ALA N N 15 124.657 0.05 . 1 . . . . . . . . 5874 1 546 . 1 1 56 56 ALA H H 1 8.215 0.05 . 1 . . . . . . . . 5874 1 547 . 1 1 56 56 ALA CA C 13 51.885 0.05 . 1 . . . . . . . . 5874 1 548 . 1 1 56 56 ALA HA H 1 4.345 0.05 . 1 . . . . . . . . 5874 1 549 . 1 1 56 56 ALA CB C 13 18.815 0.05 . 1 . . . . . . . . 5874 1 550 . 1 1 56 56 ALA HB1 H 1 1.377 0.05 . 1 . . . . . . . . 5874 1 551 . 1 1 56 56 ALA HB2 H 1 1.377 0.05 . 1 . . . . . . . . 5874 1 552 . 1 1 56 56 ALA HB3 H 1 1.377 0.05 . 1 . . . . . . . . 5874 1 553 . 1 1 57 57 THR N N 15 115.756 0.05 . 1 . . . . . . . . 5874 1 554 . 1 1 57 57 THR H H 1 8.139 0.05 . 1 . . . . . . . . 5874 1 555 . 1 1 57 57 THR CA C 13 59.093 0.05 . 1 . . . . . . . . 5874 1 556 . 1 1 57 57 THR HA H 1 4.595 0.05 . 1 . . . . . . . . 5874 1 557 . 1 1 57 57 THR CB C 13 68.737 0.05 . 1 . . . . . . . . 5874 1 558 . 1 1 57 57 THR HB H 1 4.175 0.05 . 1 . . . . . . . . 5874 1 559 . 1 1 57 57 THR HG21 H 1 1.246 0.05 . 1 . . . . . . . . 5874 1 560 . 1 1 57 57 THR HG22 H 1 1.246 0.05 . 1 . . . . . . . . 5874 1 561 . 1 1 57 57 THR HG23 H 1 1.246 0.05 . 1 . . . . . . . . 5874 1 562 . 1 1 58 58 PRO CA C 13 62.861 0.05 . 1 . . . . . . . . 5874 1 563 . 1 1 58 58 PRO HA H 1 4.363 0.05 . 1 . . . . . . . . 5874 1 564 . 1 1 58 58 PRO CB C 13 31.583 0.05 . 1 . . . . . . . . 5874 1 565 . 1 1 58 58 PRO HB3 H 1 2.240 0.05 . 1 . . . . . . . . 5874 1 566 . 1 1 58 58 PRO HB2 H 1 1.852 0.05 . 1 . . . . . . . . 5874 1 567 . 1 1 59 59 SER N N 15 115.756 0.05 . 1 . . . . . . . . 5874 1 568 . 1 1 59 59 SER H H 1 8.438 0.05 . 1 . . . . . . . . 5874 1 569 . 1 1 59 59 SER CA C 13 57.946 0.05 . 1 . . . . . . . . 5874 1 570 . 1 1 59 59 SER HA H 1 4.444 0.05 . 1 . . . . . . . . 5874 1 571 . 1 1 59 59 SER CB C 13 62.851 0.05 . 1 . . . . . . . . 5874 1 572 . 1 1 59 59 SER HB3 H 1 3.914 0.05 . 1 . . . . . . . . 5874 1 573 . 1 1 59 59 SER HB2 H 1 3.875 0.05 . 1 . . . . . . . . 5874 1 574 . 1 1 60 60 SER N N 15 117.663 0.05 . 1 . . . . . . . . 5874 1 575 . 1 1 60 60 SER H H 1 8.332 0.05 . 1 . . . . . . . . 5874 1 576 . 1 1 60 60 SER CA C 13 58.012 0.05 . 1 . . . . . . . . 5874 1 577 . 1 1 60 60 SER HA H 1 4.454 0.05 . 1 . . . . . . . . 5874 1 578 . 1 1 60 60 SER CB C 13 62.851 0.05 . 1 . . . . . . . . 5874 1 579 . 1 1 60 60 SER HB3 H 1 3.885 0.05 . 1 . . . . . . . . 5874 1 580 . 1 1 60 60 SER HB2 H 1 3.884 0.05 . 1 . . . . . . . . 5874 1 581 . 1 1 61 61 VAL N N 15 121.054 0.05 . 1 . . . . . . . . 5874 1 582 . 1 1 61 61 VAL H H 1 8.023 0.05 . 1 . . . . . . . . 5874 1 583 . 1 1 61 61 VAL CA C 13 61.845 0.05 . 1 . . . . . . . . 5874 1 584 . 1 1 61 61 VAL HA H 1 4.167 0.05 . 1 . . . . . . . . 5874 1 585 . 1 1 61 61 VAL CB C 13 32.118 0.05 . 1 . . . . . . . . 5874 1 586 . 1 1 61 61 VAL HB H 1 2.096 0.05 . 1 . . . . . . . . 5874 1 587 . 1 1 61 61 VAL HG21 H 1 0.925 0.05 . 1 . . . . . . . . 5874 1 588 . 1 1 61 61 VAL HG22 H 1 0.925 0.05 . 1 . . . . . . . . 5874 1 589 . 1 1 61 61 VAL HG23 H 1 0.925 0.05 . 1 . . . . . . . . 5874 1 590 . 1 1 61 61 VAL HG11 H 1 0.925 0.05 . 1 . . . . . . . . 5874 1 591 . 1 1 61 61 VAL HG12 H 1 0.925 0.05 . 1 . . . . . . . . 5874 1 592 . 1 1 61 61 VAL HG13 H 1 0.925 0.05 . 1 . . . . . . . . 5874 1 593 . 1 1 62 62 SER H H 1 8.256 0.05 . 1 . . . . . . . . 5874 1 594 . 1 1 62 62 SER CA C 13 57.782 0.05 . 1 . . . . . . . . 5874 1 595 . 1 1 62 62 SER HA H 1 4.298 0.05 . 1 . . . . . . . . 5874 1 596 . 1 1 62 62 SER CB C 13 62.851 0.05 . 1 . . . . . . . . 5874 1 597 . 1 1 62 62 SER HB3 H 1 3.924 0.05 . 1 . . . . . . . . 5874 1 598 . 1 1 62 62 SER HB2 H 1 3.877 0.05 . 1 . . . . . . . . 5874 1 599 . 1 1 63 63 ARG N N 15 123.385 0.05 . 1 . . . . . . . . 5874 1 600 . 1 1 63 63 ARG H H 1 8.402 0.05 . 1 . . . . . . . . 5874 1 601 . 1 1 63 63 ARG CA C 13 55.554 0.05 . 1 . . . . . . . . 5874 1 602 . 1 1 63 63 ARG HA H 1 4.376 0.05 . 1 . . . . . . . . 5874 1 603 . 1 1 63 63 ARG CB C 13 30.359 0.05 . 1 . . . . . . . . 5874 1 604 . 1 1 63 63 ARG HB3 H 1 1.795 0.05 . 1 . . . . . . . . 5874 1 605 . 1 1 63 63 ARG HB2 H 1 1.795 0.05 . 1 . . . . . . . . 5874 1 606 . 1 1 64 64 GLY N N 15 109.610 0.05 . 1 . . . . . . . . 5874 1 607 . 1 1 64 64 GLY H H 1 8.392 0.05 . 1 . . . . . . . . 5874 1 608 . 1 1 64 64 GLY CA C 13 44.677 0.05 . 1 . . . . . . . . 5874 1 609 . 1 1 64 64 GLY HA3 H 1 4.005 0.05 . 1 . . . . . . . . 5874 1 610 . 1 1 64 64 GLY HA2 H 1 4.005 0.05 . 1 . . . . . . . . 5874 1 611 . 1 1 65 65 THR N N 15 113.637 0.05 . 1 . . . . . . . . 5874 1 612 . 1 1 65 65 THR H H 1 8.055 0.05 . 1 . . . . . . . . 5874 1 613 . 1 1 65 65 THR CA C 13 60.928 0.05 . 1 . . . . . . . . 5874 1 614 . 1 1 65 65 THR HA H 1 4.334 0.05 . 1 . . . . . . . . 5874 1 615 . 1 1 65 65 THR CB C 13 68.967 0.05 . 1 . . . . . . . . 5874 1 616 . 1 1 65 65 THR HB H 1 4.200 0.05 . 1 . . . . . . . . 5874 1 617 . 1 1 65 65 THR HG21 H 1 1.189 0.05 . 1 . . . . . . . . 5874 1 618 . 1 1 65 65 THR HG22 H 1 1.189 0.05 . 1 . . . . . . . . 5874 1 619 . 1 1 65 65 THR HG23 H 1 1.189 0.05 . 1 . . . . . . . . 5874 1 620 . 1 1 66 66 ALA N N 15 128.047 0.05 . 1 . . . . . . . . 5874 1 621 . 1 1 66 66 ALA H H 1 8.400 0.05 . 1 . . . . . . . . 5874 1 622 . 1 1 66 66 ALA CA C 13 49.919 0.05 . 1 . . . . . . . . 5874 1 623 . 1 1 66 66 ALA HA H 1 4.627 0.05 . 1 . . . . . . . . 5874 1 624 . 1 1 66 66 ALA CB C 13 17.974 0.05 . 1 . . . . . . . . 5874 1 625 . 1 1 66 66 ALA HB1 H 1 1.369 0.05 . 1 . . . . . . . . 5874 1 626 . 1 1 66 66 ALA HB2 H 1 1.369 0.05 . 1 . . . . . . . . 5874 1 627 . 1 1 66 66 ALA HB3 H 1 1.369 0.05 . 1 . . . . . . . . 5874 1 628 . 1 1 67 67 PRO CA C 13 62.632 0.05 . 1 . . . . . . . . 5874 1 629 . 1 1 67 67 PRO HA H 1 4.354 0.05 . 1 . . . . . . . . 5874 1 630 . 1 1 67 67 PRO CB C 13 31.506 0.05 . 1 . . . . . . . . 5874 1 631 . 1 1 67 67 PRO HB3 H 1 2.312 0.05 . 1 . . . . . . . . 5874 1 632 . 1 1 67 67 PRO HB2 H 1 1.948 0.05 . 1 . . . . . . . . 5874 1 633 . 1 1 68 68 SER N N 15 115.120 0.05 . 1 . . . . . . . . 5874 1 634 . 1 1 68 68 SER H H 1 8.345 0.05 . 1 . . . . . . . . 5874 1 635 . 1 1 68 68 SER CA C 13 57.750 0.05 . 1 . . . . . . . . 5874 1 636 . 1 1 68 68 SER HA H 1 4.433 0.05 . 1 . . . . . . . . 5874 1 637 . 1 1 68 68 SER CB C 13 63.233 0.05 . 1 . . . . . . . . 5874 1 638 . 1 1 68 68 SER HB3 H 1 3.906 0.05 . 1 . . . . . . . . 5874 1 639 . 1 1 68 68 SER HB2 H 1 3.829 0.05 . 1 . . . . . . . . 5874 1 640 . 1 1 69 69 ASP N N 15 122.113 0.05 . 1 . . . . . . . . 5874 1 641 . 1 1 69 69 ASP H H 1 8.279 0.05 . 1 . . . . . . . . 5874 1 642 . 1 1 69 69 ASP HA H 1 4.626 0.05 . 1 . . . . . . . . 5874 1 643 . 1 1 69 69 ASP HB3 H 1 2.680 0.05 . 1 . . . . . . . . 5874 1 644 . 1 1 70 70 ASN N N 15 119.358 0.05 . 1 . . . . . . . . 5874 1 645 . 1 1 70 70 ASN H H 1 8.340 0.05 . 1 . . . . . . . . 5874 1 646 . 1 1 70 70 ASN HA H 1 4.674 0.05 . 1 . . . . . . . . 5874 1 647 . 1 1 70 70 ASN HB3 H 1 2.764 0.05 . 1 . . . . . . . . 5874 1 648 . 1 1 71 71 ARG N N 15 121.054 0.05 . 1 . . . . . . . . 5874 1 649 . 1 1 71 71 ARG H H 1 8.242 0.05 . 1 . . . . . . . . 5874 1 650 . 1 1 71 71 ARG HA H 1 4.566 0.05 . 1 . . . . . . . . 5874 1 651 . 1 1 71 71 ARG HB3 H 1 1.805 0.05 . 1 . . . . . . . . 5874 1 652 . 1 1 71 71 ARG HG3 H 1 1.612 0.05 . 1 . . . . . . . . 5874 1 653 . 1 1 72 72 VAL CA C 13 62.271 0.05 . 1 . . . . . . . . 5874 1 654 . 1 1 72 72 VAL HA H 1 4.080 0.05 . 1 . . . . . . . . 5874 1 655 . 1 1 72 72 VAL CB C 13 31.965 0.05 . 1 . . . . . . . . 5874 1 656 . 1 1 72 72 VAL HB H 1 2.079 0.05 . 1 . . . . . . . . 5874 1 657 . 1 1 72 72 VAL HG21 H 1 0.895 0.05 . 1 . . . . . . . . 5874 1 658 . 1 1 72 72 VAL HG22 H 1 0.895 0.05 . 1 . . . . . . . . 5874 1 659 . 1 1 72 72 VAL HG23 H 1 0.895 0.05 . 1 . . . . . . . . 5874 1 660 . 1 1 72 72 VAL HG11 H 1 0.895 0.05 . 1 . . . . . . . . 5874 1 661 . 1 1 72 72 VAL HG12 H 1 0.895 0.05 . 1 . . . . . . . . 5874 1 662 . 1 1 72 72 VAL HG13 H 1 0.895 0.05 . 1 . . . . . . . . 5874 1 663 . 1 1 73 73 THR N N 15 118.087 0.05 . 1 . . . . . . . . 5874 1 664 . 1 1 73 73 THR H H 1 8.146 0.05 . 1 . . . . . . . . 5874 1 665 . 1 1 73 73 THR CA C 13 61.485 0.05 . 1 . . . . . . . . 5874 1 666 . 1 1 73 73 THR HA H 1 4.296 0.05 . 1 . . . . . . . . 5874 1 667 . 1 1 73 73 THR CB C 13 68.890 0.05 . 1 . . . . . . . . 5874 1 668 . 1 1 73 73 THR HB H 1 4.168 0.05 . 1 . . . . . . . . 5874 1 669 . 1 1 73 73 THR HG21 H 1 1.178 0.05 . 1 . . . . . . . . 5874 1 670 . 1 1 73 73 THR HG22 H 1 1.178 0.05 . 1 . . . . . . . . 5874 1 671 . 1 1 73 73 THR HG23 H 1 1.178 0.05 . 1 . . . . . . . . 5874 1 672 . 1 1 74 74 SER N N 15 118.299 0.05 . 1 . . . . . . . . 5874 1 673 . 1 1 74 74 SER H H 1 8.304 0.05 . 1 . . . . . . . . 5874 1 674 . 1 1 74 74 SER CA C 13 57.782 0.05 . 1 . . . . . . . . 5874 1 675 . 1 1 74 74 SER HA H 1 4.379 0.05 . 1 . . . . . . . . 5874 1 676 . 1 1 74 74 SER CB C 13 63.157 0.05 . 1 . . . . . . . . 5874 1 677 . 1 1 74 74 SER HB3 H 1 3.857 0.05 . 1 . . . . . . . . 5874 1 678 . 1 1 74 74 SER HB2 H 1 3.857 0.05 . 1 . . . . . . . . 5874 1 679 . 1 1 75 75 PHE N N 15 122.537 0.05 . 1 . . . . . . . . 5874 1 680 . 1 1 75 75 PHE H H 1 8.305 0.05 . 1 . . . . . . . . 5874 1 681 . 1 1 75 75 PHE CA C 13 57.684 0.05 . 1 . . . . . . . . 5874 1 682 . 1 1 75 75 PHE CB C 13 38.845 0.05 . 1 . . . . . . . . 5874 1 683 . 1 1 75 75 PHE HB3 H 1 3.124 0.05 . 1 . . . . . . . . 5874 1 684 . 1 1 75 75 PHE HB2 H 1 3.040 0.05 . 1 . . . . . . . . 5874 1 685 . 1 1 76 76 ARG N N 15 121.690 0.05 . 1 . . . . . . . . 5874 1 686 . 1 1 76 76 ARG H H 1 8.097 0.05 . 1 . . . . . . . . 5874 1 687 . 1 1 76 76 ARG HA H 1 4.192 0.05 . 1 . . . . . . . . 5874 1 688 . 1 1 76 76 ARG HB3 H 1 1.767 0.05 . 1 . . . . . . . . 5874 1 689 . 1 1 77 77 ASP N N 15 120.842 0.05 . 1 . . . . . . . . 5874 1 690 . 1 1 77 77 ASP H H 1 8.186 0.05 . 1 . . . . . . . . 5874 1 691 . 1 1 77 77 ASP HA H 1 4.557 0.05 . 1 . . . . . . . . 5874 1 692 . 1 1 77 77 ASP HB3 H 1 2.763 0.05 . 1 . . . . . . . . 5874 1 693 . 1 1 77 77 ASP HB2 H 1 2.628 0.05 . 1 . . . . . . . . 5874 1 694 . 1 1 78 78 LEU N N 15 121.690 0.05 . 1 . . . . . . . . 5874 1 695 . 1 1 78 78 LEU H H 1 8.024 0.05 . 1 . . . . . . . . 5874 1 696 . 1 1 79 79 ILE N N 15 119.782 0.05 . 1 . . . . . . . . 5874 1 697 . 1 1 79 79 ILE H H 1 7.931 0.05 . 1 . . . . . . . . 5874 1 698 . 1 1 79 79 ILE HB H 1 1.797 0.05 . 1 . . . . . . . . 5874 1 699 . 1 1 80 80 HIS N N 15 121.690 0.05 . 1 . . . . . . . . 5874 1 700 . 1 1 80 80 HIS H H 1 8.415 0.05 . 1 . . . . . . . . 5874 1 701 . 1 1 80 80 HIS HA H 1 4.590 0.05 . 1 . . . . . . . . 5874 1 702 . 1 1 80 80 HIS HB3 H 1 3.290 0.05 . 1 . . . . . . . . 5874 1 703 . 1 1 80 80 HIS HB2 H 1 3.139 0.05 . 1 . . . . . . . . 5874 1 704 . 1 1 90 90 GLU N N 15 121.266 0.05 . 1 . . . . . . . . 5874 1 705 . 1 1 90 90 GLU H H 1 8.451 0.05 . 1 . . . . . . . . 5874 1 706 . 1 1 90 90 GLU HA H 1 4.192 0.05 . 1 . . . . . . . . 5874 1 707 . 1 1 90 90 GLU HB3 H 1 2.072 0.05 . 1 . . . . . . . . 5874 1 708 . 1 1 90 90 GLU HB2 H 1 2.011 0.05 . 1 . . . . . . . . 5874 1 709 . 1 1 90 90 GLU HG3 H 1 2.331 0.05 . 1 . . . . . . . . 5874 1 710 . 1 1 90 90 GLU HG2 H 1 2.330 0.05 . 1 . . . . . . . . 5874 1 711 . 1 1 91 91 GLY N N 15 108.974 0.05 . 1 . . . . . . . . 5874 1 712 . 1 1 91 91 GLY H H 1 8.386 0.05 . 1 . . . . . . . . 5874 1 713 . 1 1 91 91 GLY HA3 H 1 3.954 0.05 . 1 . . . . . . . . 5874 1 714 . 1 1 91 91 GLY HA2 H 1 3.954 0.05 . 1 . . . . . . . . 5874 1 715 . 1 1 92 92 GLN N N 15 119.359 0.05 . 1 . . . . . . . . 5874 1 716 . 1 1 92 92 GLN H H 1 8.110 0.05 . 1 . . . . . . . . 5874 1 717 . 1 1 92 92 GLN HA H 1 4.263 0.05 . 1 . . . . . . . . 5874 1 718 . 1 1 92 92 GLN HB3 H 1 2.067 0.05 . 1 . . . . . . . . 5874 1 719 . 1 1 92 92 GLN HB2 H 1 1.972 0.05 . 1 . . . . . . . . 5874 1 720 . 1 1 92 92 GLN HG3 H 1 2.311 0.05 . 1 . . . . . . . . 5874 1 721 . 1 1 92 92 GLN HG2 H 1 2.311 0.05 . 1 . . . . . . . . 5874 1 722 . 1 1 92 92 GLN NE2 N 15 112.399 0.05 . 1 . . . . . . . . 5874 1 723 . 1 1 92 92 GLN HE21 H 1 6.823 0.05 . 1 . . . . . . . . 5874 1 724 . 1 1 92 92 GLN HE22 H 1 7.573 0.05 . 1 . . . . . . . . 5874 1 725 . 1 1 94 94 PHE N N 15 120.206 0.05 . 1 . . . . . . . . 5874 1 726 . 1 1 94 94 PHE H H 1 8.150 0.05 . 1 . . . . . . . . 5874 1 727 . 1 1 94 94 PHE HA H 1 4.577 0.05 . 1 . . . . . . . . 5874 1 728 . 1 1 94 94 PHE HB3 H 1 3.019 0.05 . 1 . . . . . . . . 5874 1 729 . 1 1 94 94 PHE HB2 H 1 2.920 0.05 . 1 . . . . . . . . 5874 1 730 . 1 1 95 95 TYR N N 15 121.690 0.05 . 1 . . . . . . . . 5874 1 731 . 1 1 95 95 TYR H H 1 8.086 0.05 . 1 . . . . . . . . 5874 1 732 . 1 1 95 95 TYR CA C 13 57.094 0.05 . 1 . . . . . . . . 5874 1 733 . 1 1 95 95 TYR HA H 1 4.517 0.05 . 1 . . . . . . . . 5874 1 734 . 1 1 95 95 TYR CB C 13 38.692 0.05 . 1 . . . . . . . . 5874 1 735 . 1 1 95 95 TYR HB3 H 1 3.000 0.05 . 1 . . . . . . . . 5874 1 736 . 1 1 95 95 TYR HB2 H 1 2.894 0.05 . 1 . . . . . . . . 5874 1 737 . 1 1 95 95 TYR HD1 H 1 7.080 0.05 . 1 . . . . . . . . 5874 1 738 . 1 1 95 95 TYR HE1 H 1 6.792 0.05 . 1 . . . . . . . . 5874 1 739 . 1 1 96 96 ALA N N 15 126.352 0.05 . 1 . . . . . . . . 5874 1 740 . 1 1 96 96 ALA H H 1 8.274 0.05 . 1 . . . . . . . . 5874 1 741 . 1 1 96 96 ALA CA C 13 51.819 0.05 . 1 . . . . . . . . 5874 1 742 . 1 1 96 96 ALA HA H 1 4.273 0.05 . 1 . . . . . . . . 5874 1 743 . 1 1 96 96 ALA CB C 13 18.968 0.05 . 1 . . . . . . . . 5874 1 744 . 1 1 96 96 ALA HB1 H 1 1.860 0.05 . 1 . . . . . . . . 5874 1 745 . 1 1 96 96 ALA HB2 H 1 1.860 0.05 . 1 . . . . . . . . 5874 1 746 . 1 1 96 96 ALA HB3 H 1 1.860 0.05 . 1 . . . . . . . . 5874 1 747 . 1 1 97 97 GLY N N 15 107.703 0.05 . 1 . . . . . . . . 5874 1 748 . 1 1 97 97 GLY H H 1 7.849 0.05 . 1 . . . . . . . . 5874 1 749 . 1 1 97 97 GLY CA C 13 44.775 0.05 . 1 . . . . . . . . 5874 1 750 . 1 1 97 97 GLY HA3 H 1 3.918 0.05 . 1 . . . . . . . . 5874 1 751 . 1 1 97 97 GLY HA2 H 1 3.918 0.05 . 1 . . . . . . . . 5874 1 752 . 1 1 98 98 GLY N N 15 108.551 0.05 . 1 . . . . . . . . 5874 1 753 . 1 1 98 98 GLY H H 1 8.255 0.05 . 1 . . . . . . . . 5874 1 754 . 1 1 98 98 GLY CA C 13 44.677 0.05 . 1 . . . . . . . . 5874 1 755 . 1 1 98 98 GLY HA3 H 1 4.004 0.05 . 1 . . . . . . . . 5874 1 756 . 1 1 98 98 GLY HA2 H 1 4.004 0.05 . 1 . . . . . . . . 5874 1 757 . 1 1 99 99 SER N N 15 115.544 0.05 . 1 . . . . . . . . 5874 1 758 . 1 1 99 99 SER H H 1 8.266 0.05 . 1 . . . . . . . . 5874 1 759 . 1 1 99 99 SER CA C 13 57.946 0.05 . 1 . . . . . . . . 5874 1 760 . 1 1 99 99 SER HA H 1 4.444 0.05 . 1 . . . . . . . . 5874 1 761 . 1 1 99 99 SER CB C 13 63.080 0.05 . 1 . . . . . . . . 5874 1 762 . 1 1 99 99 SER HB3 H 1 3.884 0.05 . 1 . . . . . . . . 5874 1 763 . 1 1 99 99 SER HB2 H 1 3.884 0.05 . 1 . . . . . . . . 5874 1 764 . 1 1 100 100 GLU N N 15 122.537 0.05 . 1 . . . . . . . . 5874 1 765 . 1 1 100 100 GLU H H 1 8.610 0.05 . 1 . . . . . . . . 5874 1 766 . 1 1 100 100 GLU CA C 13 56.341 0.05 . 1 . . . . . . . . 5874 1 767 . 1 1 100 100 GLU HA H 1 4.283 0.05 . 1 . . . . . . . . 5874 1 768 . 1 1 100 100 GLU CB C 13 29.136 0.05 . 1 . . . . . . . . 5874 1 769 . 1 1 100 100 GLU HB3 H 1 2.056 0.05 . 1 . . . . . . . . 5874 1 770 . 1 1 100 100 GLU HB2 H 1 1.957 0.05 . 1 . . . . . . . . 5874 1 771 . 1 1 100 100 GLU HG3 H 1 2.281 0.05 . 1 . . . . . . . . 5874 1 772 . 1 1 100 100 GLU HG2 H 1 2.281 0.05 . 1 . . . . . . . . 5874 1 773 . 1 1 102 102 SER CA C 13 57.979 0.05 . 1 . . . . . . . . 5874 1 774 . 1 1 102 102 SER HA H 1 4.422 0.05 . 1 . . . . . . . . 5874 1 775 . 1 1 102 102 SER CB C 13 62.927 0.05 . 1 . . . . . . . . 5874 1 776 . 1 1 102 102 SER HB3 H 1 3.886 0.05 . 1 . . . . . . . . 5874 1 777 . 1 1 102 102 SER HB2 H 1 3.886 0.05 . 1 . . . . . . . . 5874 1 778 . 1 1 103 103 GLY N N 15 110.670 0.05 . 1 . . . . . . . . 5874 1 779 . 1 1 103 103 GLY H H 1 8.468 0.05 . 1 . . . . . . . . 5874 1 780 . 1 1 103 103 GLY CA C 13 44.677 0.05 . 1 . . . . . . . . 5874 1 781 . 1 1 103 103 GLY HA3 H 1 3.968 0.05 . 1 . . . . . . . . 5874 1 782 . 1 1 103 103 GLY HA2 H 1 3.966 0.05 . 1 . . . . . . . . 5874 1 783 . 1 1 104 104 GLN N N 15 119.570 0.05 . 1 . . . . . . . . 5874 1 784 . 1 1 104 104 GLN H H 1 8.172 0.05 . 1 . . . . . . . . 5874 1 785 . 1 1 104 104 GLN CA C 13 55.456 0.05 . 1 . . . . . . . . 5874 1 786 . 1 1 104 104 GLN HA H 1 4.319 0.05 . 1 . . . . . . . . 5874 1 787 . 1 1 104 104 GLN CB C 13 32.729 0.05 . 1 . . . . . . . . 5874 1 788 . 1 1 104 104 GLN HB3 H 1 2.087 0.05 . 1 . . . . . . . . 5874 1 789 . 1 1 104 104 GLN HB2 H 1 1.952 0.05 . 1 . . . . . . . . 5874 1 790 . 1 1 104 104 GLN HG3 H 1 2.318 0.05 . 1 . . . . . . . . 5874 1 791 . 1 1 104 104 GLN HG2 H 1 2.318 0.05 . 1 . . . . . . . . 5874 1 792 . 1 1 105 105 GLN N N 15 121.902 0.05 . 1 . . . . . . . . 5874 1 793 . 1 1 105 105 GLN H H 1 8.448 0.05 . 1 . . . . . . . . 5874 1 794 . 1 1 105 105 GLN CA C 13 55.161 0.05 . 1 . . . . . . . . 5874 1 795 . 1 1 105 105 GLN HA H 1 4.321 0.05 . 1 . . . . . . . . 5874 1 796 . 1 1 105 105 GLN CB C 13 32.271 0.05 . 1 . . . . . . . . 5874 1 797 . 1 1 105 105 GLN HB3 H 1 2.064 0.05 . 1 . . . . . . . . 5874 1 798 . 1 1 105 105 GLN HB2 H 1 1.958 0.05 . 1 . . . . . . . . 5874 1 799 . 1 1 105 105 GLN HG2 H 1 2.315 0.05 . 1 . . . . . . . . 5874 1 800 . 1 1 106 106 ILE N N 15 122.749 0.05 . 1 . . . . . . . . 5874 1 801 . 1 1 106 106 ILE H H 1 8.244 0.05 . 1 . . . . . . . . 5874 1 802 . 1 1 106 106 ILE CA C 13 60.404 0.05 . 1 . . . . . . . . 5874 1 803 . 1 1 106 106 ILE HA H 1 4.179 0.05 . 1 . . . . . . . . 5874 1 804 . 1 1 106 106 ILE CB C 13 38.004 0.05 . 1 . . . . . . . . 5874 1 805 . 1 1 106 106 ILE HB H 1 1.823 0.05 . 1 . . . . . . . . 5874 1 806 . 1 1 106 106 ILE HG13 H 1 1.441 0.05 . 1 . . . . . . . . 5874 1 807 . 1 1 106 106 ILE HG12 H 1 1.137 0.05 . 1 . . . . . . . . 5874 1 808 . 1 1 106 106 ILE HD11 H 1 0.856 0.05 . 1 . . . . . . . . 5874 1 809 . 1 1 106 106 ILE HD12 H 1 0.856 0.05 . 1 . . . . . . . . 5874 1 810 . 1 1 106 106 ILE HD13 H 1 0.856 0.05 . 1 . . . . . . . . 5874 1 811 . 1 1 106 106 ILE HG21 H 1 0.921 0.05 . 1 . . . . . . . . 5874 1 812 . 1 1 106 106 ILE HG22 H 1 0.921 0.05 . 1 . . . . . . . . 5874 1 813 . 1 1 106 106 ILE HG23 H 1 0.921 0.05 . 1 . . . . . . . . 5874 1 814 . 1 1 107 107 VAL N N 15 124.657 0.05 . 1 . . . . . . . . 5874 1 815 . 1 1 107 107 VAL H H 1 8.245 0.05 . 1 . . . . . . . . 5874 1 816 . 1 1 107 107 VAL CA C 13 61.485 0.05 . 1 . . . . . . . . 5874 1 817 . 1 1 107 107 VAL HA H 1 4.172 0.05 . 1 . . . . . . . . 5874 1 818 . 1 1 107 107 VAL CB C 13 32.347 0.05 . 1 . . . . . . . . 5874 1 819 . 1 1 107 107 VAL HB H 1 2.047 0.05 . 1 . . . . . . . . 5874 1 820 . 1 1 107 107 VAL HG21 H 1 0.919 0.05 . 1 . . . . . . . . 5874 1 821 . 1 1 107 107 VAL HG22 H 1 0.919 0.05 . 1 . . . . . . . . 5874 1 822 . 1 1 107 107 VAL HG23 H 1 0.919 0.05 . 1 . . . . . . . . 5874 1 823 . 1 1 107 107 VAL HG11 H 1 0.919 0.05 . 1 . . . . . . . . 5874 1 824 . 1 1 107 107 VAL HG12 H 1 0.919 0.05 . 1 . . . . . . . . 5874 1 825 . 1 1 107 107 VAL HG13 H 1 0.919 0.05 . 1 . . . . . . . . 5874 1 826 . 1 1 108 108 GLY N N 15 113.001 0.05 . 1 . . . . . . . . 5874 1 827 . 1 1 108 108 GLY H H 1 8.269 0.05 . 1 . . . . . . . . 5874 1 828 . 1 1 108 108 GLY CA C 13 43.726 0.05 . 1 . . . . . . . . 5874 1 829 . 1 1 108 108 GLY HA3 H 1 4.013 0.05 . 1 . . . . . . . . 5874 1 830 . 1 1 108 108 GLY HA2 H 1 4.013 0.05 . 1 . . . . . . . . 5874 1 831 . 1 1 115 115 PRO CA C 13 63.516 0.05 . 1 . . . . . . . . 5874 1 832 . 1 1 115 115 PRO HA H 1 4.379 0.05 . 1 . . . . . . . . 5874 1 833 . 1 1 115 115 PRO CB C 13 31.430 0.05 . 1 . . . . . . . . 5874 1 834 . 1 1 115 115 PRO HB3 H 1 2.310 0.05 . 1 . . . . . . . . 5874 1 835 . 1 1 115 115 PRO HB2 H 1 1.941 0.05 . 1 . . . . . . . . 5874 1 836 . 1 1 115 115 PRO HG3 H 1 2.029 0.05 . 1 . . . . . . . . 5874 1 837 . 1 1 115 115 PRO HG2 H 1 2.029 0.05 . 1 . . . . . . . . 5874 1 838 . 1 1 115 115 PRO HD3 H 1 3.926 0.05 . 1 . . . . . . . . 5874 1 839 . 1 1 115 115 PRO HD2 H 1 3.786 0.05 . 1 . . . . . . . . 5874 1 840 . 1 1 116 116 ASN N N 15 116.486 0.05 . 1 . . . . . . . . 5874 1 841 . 1 1 116 116 ASN H H 1 8.330 0.05 . 1 . . . . . . . . 5874 1 842 . 1 1 116 116 ASN CA C 13 53.130 0.05 . 1 . . . . . . . . 5874 1 843 . 1 1 116 116 ASN HA H 1 4.622 0.05 . 1 . . . . . . . . 5874 1 844 . 1 1 116 116 ASN CB C 13 37.928 0.05 . 1 . . . . . . . . 5874 1 845 . 1 1 116 116 ASN HB3 H 1 2.826 0.05 . 1 . . . . . . . . 5874 1 846 . 1 1 116 116 ASN HB2 H 1 2.720 0.05 . 1 . . . . . . . . 5874 1 847 . 1 1 116 116 ASN ND2 N 15 113.034 0.05 . 1 . . . . . . . . 5874 1 848 . 1 1 116 116 ASN HD21 H 1 6.945 0.05 . 1 . . . . . . . . 5874 1 849 . 1 1 116 116 ASN HD22 H 1 7.636 0.05 . 1 . . . . . . . . 5874 1 850 . 1 1 117 117 GLU N N 15 120.559 0.05 . 1 . . . . . . . . 5874 1 851 . 1 1 117 117 GLU H H 1 8.084 0.05 . 1 . . . . . . . . 5874 1 852 . 1 1 117 117 GLU CA C 13 56.275 0.05 . 1 . . . . . . . . 5874 1 853 . 1 1 117 117 GLU HA H 1 4.249 0.05 . 1 . . . . . . . . 5874 1 854 . 1 1 117 117 GLU CB C 13 29.748 0.05 . 1 . . . . . . . . 5874 1 855 . 1 1 117 117 GLU HB3 H 1 2.030 0.05 . 1 . . . . . . . . 5874 1 856 . 1 1 117 117 GLU HB2 H 1 2.030 0.05 . 1 . . . . . . . . 5874 1 857 . 1 1 117 117 GLU HG3 H 1 2.274 0.05 . 1 . . . . . . . . 5874 1 858 . 1 1 117 117 GLU HG2 H 1 2.274 0.05 . 1 . . . . . . . . 5874 1 859 . 1 1 118 118 LEU N N 15 122.325 0.05 . 1 . . . . . . . . 5874 1 860 . 1 1 118 118 LEU H H 1 8.134 0.05 . 1 . . . . . . . . 5874 1 861 . 1 1 118 118 LEU CA C 13 54.932 0.05 . 1 . . . . . . . . 5874 1 862 . 1 1 118 118 LEU HA H 1 4.330 0.05 . 1 . . . . . . . . 5874 1 863 . 1 1 118 118 LEU CB C 13 41.521 0.05 . 1 . . . . . . . . 5874 1 864 . 1 1 118 118 LEU HB3 H 1 1.598 0.05 . 1 . . . . . . . . 5874 1 865 . 1 1 118 118 LEU HB2 H 1 1.598 0.05 . 1 . . . . . . . . 5874 1 866 . 1 1 119 119 VAL N N 15 119.782 0.05 . 1 . . . . . . . . 5874 1 867 . 1 1 119 119 VAL H H 1 7.930 0.05 . 1 . . . . . . . . 5874 1 868 . 1 1 119 119 VAL CA C 13 62.140 0.05 . 1 . . . . . . . . 5874 1 869 . 1 1 119 119 VAL HA H 1 4.052 0.05 . 1 . . . . . . . . 5874 1 870 . 1 1 119 119 VAL CB C 13 32.118 0.05 . 1 . . . . . . . . 5874 1 871 . 1 1 119 119 VAL HB H 1 2.086 0.05 . 1 . . . . . . . . 5874 1 872 . 1 1 119 119 VAL HG21 H 1 0.926 0.05 . 1 . . . . . . . . 5874 1 873 . 1 1 119 119 VAL HG22 H 1 0.926 0.05 . 1 . . . . . . . . 5874 1 874 . 1 1 119 119 VAL HG23 H 1 0.926 0.05 . 1 . . . . . . . . 5874 1 875 . 1 1 119 119 VAL HG11 H 1 0.927 0.05 . 1 . . . . . . . . 5874 1 876 . 1 1 119 119 VAL HG12 H 1 0.927 0.05 . 1 . . . . . . . . 5874 1 877 . 1 1 119 119 VAL HG13 H 1 0.927 0.05 . 1 . . . . . . . . 5874 1 878 . 1 1 120 120 ASP N N 15 123.173 0.05 . 1 . . . . . . . . 5874 1 879 . 1 1 120 120 ASP H H 1 8.256 0.05 . 1 . . . . . . . . 5874 1 880 . 1 1 120 120 ASP HA H 1 4.582 0.05 . 1 . . . . . . . . 5874 1 881 . 1 1 120 120 ASP HB3 H 1 2.653 0.05 . 1 . . . . . . . . 5874 1 882 . 1 1 121 121 ASP N N 15 120.630 0.05 . 1 . . . . . . . . 5874 1 883 . 1 1 121 121 ASP H H 1 8.243 0.05 . 1 . . . . . . . . 5874 1 884 . 1 1 121 121 ASP HA H 1 4.563 0.05 . 1 . . . . . . . . 5874 1 885 . 1 1 121 121 ASP HB3 H 1 2.672 0.05 . 1 . . . . . . . . 5874 1 886 . 1 1 122 122 LEU N N 15 121.690 0.05 . 1 . . . . . . . . 5874 1 887 . 1 1 122 122 LEU H H 1 8.123 0.05 . 1 . . . . . . . . 5874 1 888 . 1 1 122 122 LEU HA H 1 4.130 0.05 . 1 . . . . . . . . 5874 1 889 . 1 1 122 122 LEU HB3 H 1 1.520 0.05 . 1 . . . . . . . . 5874 1 890 . 1 1 122 122 LEU HB2 H 1 1.326 0.05 . 1 . . . . . . . . 5874 1 891 . 1 1 123 123 PHE N N 15 118.723 0.05 . 1 . . . . . . . . 5874 1 892 . 1 1 123 123 PHE H H 1 8.114 0.05 . 1 . . . . . . . . 5874 1 893 . 1 1 123 123 PHE CA C 13 57.652 0.05 . 1 . . . . . . . . 5874 1 894 . 1 1 123 123 PHE HA H 1 4.558 0.05 . 1 . . . . . . . . 5874 1 895 . 1 1 123 123 PHE CB C 13 38.387 0.05 . 1 . . . . . . . . 5874 1 896 . 1 1 123 123 PHE HB3 H 1 3.208 0.05 . 1 . . . . . . . . 5874 1 897 . 1 1 123 123 PHE HB2 H 1 3.042 0.05 . 1 . . . . . . . . 5874 1 898 . 1 1 124 124 LYS N N 15 122.113 0.05 . 1 . . . . . . . . 5874 1 899 . 1 1 124 124 LYS H H 1 8.024 0.05 . 1 . . . . . . . . 5874 1 900 . 1 1 124 124 LYS CA C 13 55.129 0.05 . 1 . . . . . . . . 5874 1 901 . 1 1 124 124 LYS HA H 1 4.201 0.05 . 1 . . . . . . . . 5874 1 902 . 1 1 124 124 LYS CB C 13 32.271 0.05 . 1 . . . . . . . . 5874 1 903 . 1 1 124 124 LYS HB3 H 1 1.824 0.05 . 1 . . . . . . . . 5874 1 904 . 1 1 124 124 LYS HB2 H 1 1.763 0.05 . 1 . . . . . . . . 5874 1 905 . 1 1 124 124 LYS HG3 H 1 1.423 0.05 . 1 . . . . . . . . 5874 1 906 . 1 1 124 124 LYS HG2 H 1 1.366 0.05 . 1 . . . . . . . . 5874 1 907 . 1 1 125 125 GLY N N 15 108.762 0.05 . 1 . . . . . . . . 5874 1 908 . 1 1 125 125 GLY H H 1 8.034 0.05 . 1 . . . . . . . . 5874 1 909 . 1 1 125 125 GLY CA C 13 44.709 0.05 . 1 . . . . . . . . 5874 1 910 . 1 1 125 125 GLY HA3 H 1 3.897 0.05 . 1 . . . . . . . . 5874 1 911 . 1 1 125 125 GLY HA2 H 1 3.994 0.05 . 1 . . . . . . . . 5874 1 912 . 1 1 126 126 ALA N N 15 123.544 0.05 . 1 . . . . . . . . 5874 1 913 . 1 1 126 126 ALA H H 1 8.049 0.05 . 1 . . . . . . . . 5874 1 914 . 1 1 126 126 ALA CA C 13 52.147 0.05 . 1 . . . . . . . . 5874 1 915 . 1 1 126 126 ALA HA H 1 4.309 0.05 . 1 . . . . . . . . 5874 1 916 . 1 1 126 126 ALA CB C 13 18.739 0.05 . 1 . . . . . . . . 5874 1 917 . 1 1 126 126 ALA HB1 H 1 1.398 0.05 . 1 . . . . . . . . 5874 1 918 . 1 1 126 126 ALA HB2 H 1 1.398 0.05 . 1 . . . . . . . . 5874 1 919 . 1 1 126 126 ALA HB3 H 1 1.398 0.05 . 1 . . . . . . . . 5874 1 920 . 1 1 127 127 LYS N N 15 119.782 0.05 . 1 . . . . . . . . 5874 1 921 . 1 1 127 127 LYS H H 1 8.271 0.05 . 1 . . . . . . . . 5874 1 922 . 1 1 127 127 LYS CA C 13 56.013 0.05 . 1 . . . . . . . . 5874 1 923 . 1 1 127 127 LYS HA H 1 4.295 0.05 . 1 . . . . . . . . 5874 1 924 . 1 1 127 127 LYS CB C 13 32.424 0.05 . 1 . . . . . . . . 5874 1 925 . 1 1 127 127 LYS HB3 H 1 1.747 0.05 . 1 . . . . . . . . 5874 1 926 . 1 1 127 127 LYS HB2 H 1 1.747 0.05 . 1 . . . . . . . . 5874 1 927 . 1 1 128 128 GLU HA H 1 4.214 0.05 . 1 . . . . . . . . 5874 1 928 . 1 1 128 128 GLU HB3 H 1 1.968 0.05 . 1 . . . . . . . . 5874 1 929 . 1 1 128 128 GLU HB2 H 1 1.899 0.05 . 1 . . . . . . . . 5874 1 930 . 1 1 129 129 HIS N N 15 118.723 0.05 . 1 . . . . . . . . 5874 1 931 . 1 1 129 129 HIS H H 1 8.477 0.05 . 1 . . . . . . . . 5874 1 932 . 1 1 129 129 HIS CA C 13 54.866 0.05 . 1 . . . . . . . . 5874 1 933 . 1 1 129 129 HIS HA H 1 4.690 0.05 . 1 . . . . . . . . 5874 1 934 . 1 1 129 129 HIS CB C 13 28.525 0.05 . 1 . . . . . . . . 5874 1 935 . 1 1 129 129 HIS HB3 H 1 3.286 0.05 . 1 . . . . . . . . 5874 1 936 . 1 1 129 129 HIS HB2 H 1 3.174 0.05 . 1 . . . . . . . . 5874 1 937 . 1 1 130 130 GLY N N 15 109.822 0.05 . 1 . . . . . . . . 5874 1 938 . 1 1 130 130 GLY H H 1 8.411 0.05 . 1 . . . . . . . . 5874 1 939 . 1 1 130 130 GLY CA C 13 44.611 0.05 . 1 . . . . . . . . 5874 1 940 . 1 1 130 130 GLY HA3 H 1 3.949 0.05 . 1 . . . . . . . . 5874 1 941 . 1 1 130 130 GLY HA2 H 1 3.949 0.05 . 1 . . . . . . . . 5874 1 942 . 1 1 131 131 ALA N N 15 123.809 0.05 . 1 . . . . . . . . 5874 1 943 . 1 1 131 131 ALA H H 1 8.193 0.05 . 1 . . . . . . . . 5874 1 944 . 1 1 131 131 ALA CA C 13 51.819 0.05 . 1 . . . . . . . . 5874 1 945 . 1 1 131 131 ALA HA H 1 4.354 0.05 . 1 . . . . . . . . 5874 1 946 . 1 1 131 131 ALA CB C 13 18.968 0.05 . 1 . . . . . . . . 5874 1 947 . 1 1 131 131 ALA HB1 H 1 1.362 0.05 . 1 . . . . . . . . 5874 1 948 . 1 1 131 131 ALA HB2 H 1 1.362 0.05 . 1 . . . . . . . . 5874 1 949 . 1 1 131 131 ALA HB3 H 1 1.362 0.05 . 1 . . . . . . . . 5874 1 950 . 1 1 132 132 VAL N N 15 119.528 0.05 . 1 . . . . . . . . 5874 1 951 . 1 1 132 132 VAL H H 1 8.082 0.05 . 1 . . . . . . . . 5874 1 952 . 1 1 132 132 VAL CA C 13 61.419 0.05 . 1 . . . . . . . . 5874 1 953 . 1 1 132 132 VAL HA H 1 4.089 0.05 . 1 . . . . . . . . 5874 1 954 . 1 1 132 132 VAL CB C 13 32.271 0.05 . 1 . . . . . . . . 5874 1 955 . 1 1 132 132 VAL HB H 1 2.040 0.05 . 1 . . . . . . . . 5874 1 956 . 1 1 132 132 VAL HG21 H 1 0.919 0.05 . 1 . . . . . . . . 5874 1 957 . 1 1 132 132 VAL HG22 H 1 0.919 0.05 . 1 . . . . . . . . 5874 1 958 . 1 1 132 132 VAL HG23 H 1 0.919 0.05 . 1 . . . . . . . . 5874 1 959 . 1 1 132 132 VAL HG11 H 1 0.920 0.05 . 1 . . . . . . . . 5874 1 960 . 1 1 132 132 VAL HG12 H 1 0.920 0.05 . 1 . . . . . . . . 5874 1 961 . 1 1 132 132 VAL HG13 H 1 0.920 0.05 . 1 . . . . . . . . 5874 1 962 . 1 1 133 133 ALA N N 15 128.047 0.05 . 1 . . . . . . . . 5874 1 963 . 1 1 133 133 ALA H H 1 8.356 0.05 . 1 . . . . . . . . 5874 1 964 . 1 1 133 133 ALA CA C 13 51.754 0.05 . 1 . . . . . . . . 5874 1 965 . 1 1 133 133 ALA HA H 1 4.359 0.05 . 1 . . . . . . . . 5874 1 966 . 1 1 133 133 ALA CB C 13 18.815 0.05 . 1 . . . . . . . . 5874 1 967 . 1 1 133 133 ALA HB1 H 1 1.354 0.05 . 1 . . . . . . . . 5874 1 968 . 1 1 133 133 ALA HB2 H 1 1.354 0.05 . 1 . . . . . . . . 5874 1 969 . 1 1 133 133 ALA HB3 H 1 1.354 0.05 . 1 . . . . . . . . 5874 1 970 . 1 1 134 134 VAL N N 15 119.994 0.05 . 1 . . . . . . . . 5874 1 971 . 1 1 134 134 VAL H H 1 8.083 0.05 . 1 . . . . . . . . 5874 1 972 . 1 1 134 134 VAL CA C 13 61.649 0.05 . 1 . . . . . . . . 5874 1 973 . 1 1 134 134 VAL HA H 1 4.076 0.05 . 1 . . . . . . . . 5874 1 974 . 1 1 134 134 VAL CB C 13 32.347 0.05 . 1 . . . . . . . . 5874 1 975 . 1 1 134 134 VAL HB H 1 2.031 0.05 . 1 . . . . . . . . 5874 1 976 . 1 1 134 134 VAL HG21 H 1 0.919 0.05 . 1 . . . . . . . . 5874 1 977 . 1 1 134 134 VAL HG22 H 1 0.919 0.05 . 1 . . . . . . . . 5874 1 978 . 1 1 134 134 VAL HG23 H 1 0.919 0.05 . 1 . . . . . . . . 5874 1 979 . 1 1 134 134 VAL HG11 H 1 0.919 0.05 . 1 . . . . . . . . 5874 1 980 . 1 1 134 134 VAL HG12 H 1 0.919 0.05 . 1 . . . . . . . . 5874 1 981 . 1 1 134 134 VAL HG13 H 1 0.919 0.05 . 1 . . . . . . . . 5874 1 982 . 1 1 135 135 GLU N N 15 124.657 0.05 . 1 . . . . . . . . 5874 1 983 . 1 1 135 135 GLU H H 1 8.464 0.05 . 1 . . . . . . . . 5874 1 984 . 1 1 135 135 GLU CA C 13 55.882 0.05 . 1 . . . . . . . . 5874 1 985 . 1 1 135 135 GLU HA H 1 4.297 0.05 . 1 . . . . . . . . 5874 1 986 . 1 1 135 135 GLU CB C 13 29.748 0.05 . 1 . . . . . . . . 5874 1 987 . 1 1 135 135 GLU HB3 H 1 2.022 0.05 . 1 . . . . . . . . 5874 1 988 . 1 1 135 135 GLU HB2 H 1 1.924 0.05 . 1 . . . . . . . . 5874 1 989 . 1 1 135 135 GLU HG3 H 1 2.258 0.05 . 1 . . . . . . . . 5874 1 990 . 1 1 135 135 GLU HG2 H 1 2.258 0.05 . 1 . . . . . . . . 5874 1 991 . 1 1 136 136 ARG N N 15 126.988 0.05 . 1 . . . . . . . . 5874 1 992 . 1 1 136 136 ARG H H 1 7.975 0.05 . 1 . . . . . . . . 5874 1 993 . 1 1 136 136 ARG CA C 13 56.963 0.05 . 1 . . . . . . . . 5874 1 994 . 1 1 136 136 ARG HA H 1 4.357 0.05 . 1 . . . . . . . . 5874 1 995 . 1 1 136 136 ARG CB C 13 33.112 0.05 . 1 . . . . . . . . 5874 1 996 . 1 1 136 136 ARG HB3 H 1 1.824 0.05 . 1 . . . . . . . . 5874 1 997 . 1 1 136 136 ARG HB2 H 1 1.758 0.05 . 1 . . . . . . . . 5874 1 998 . 1 1 136 136 ARG HG3 H 1 1.631 0.05 . 1 . . . . . . . . 5874 1 999 . 1 1 136 136 ARG HG2 H 1 1.631 0.05 . 1 . . . . . . . . 5874 1 1000 . 1 1 137 137 VAL N N 15 121.690 0.05 . 1 . . . . . . . . 5874 1 1001 . 1 1 137 137 VAL H H 1 8.208 0.05 . 1 . . . . . . . . 5874 1 1002 . 1 1 137 137 VAL CA C 13 61.681 0.05 . 1 . . . . . . . . 5874 1 1003 . 1 1 137 137 VAL HA H 1 4.181 0.05 . 1 . . . . . . . . 5874 1 1004 . 1 1 137 137 VAL CB C 13 32.194 0.05 . 1 . . . . . . . . 5874 1 1005 . 1 1 137 137 VAL HB H 1 2.072 0.05 . 1 . . . . . . . . 5874 1 1006 . 1 1 137 137 VAL HG21 H 1 0.924 0.05 . 1 . . . . . . . . 5874 1 1007 . 1 1 137 137 VAL HG22 H 1 0.924 0.05 . 1 . . . . . . . . 5874 1 1008 . 1 1 137 137 VAL HG23 H 1 0.924 0.05 . 1 . . . . . . . . 5874 1 1009 . 1 1 137 137 VAL HG11 H 1 0.920 0.05 . 1 . . . . . . . . 5874 1 1010 . 1 1 137 137 VAL HG12 H 1 0.920 0.05 . 1 . . . . . . . . 5874 1 1011 . 1 1 137 137 VAL HG13 H 1 0.920 0.05 . 1 . . . . . . . . 5874 1 1012 . 1 1 138 138 THR N N 15 118.935 0.05 . 1 . . . . . . . . 5874 1 1013 . 1 1 138 138 THR H H 1 8.296 0.05 . 1 . . . . . . . . 5874 1 1014 . 1 1 138 138 THR CA C 13 61.026 0.05 . 1 . . . . . . . . 5874 1 1015 . 1 1 138 138 THR HA H 1 4.346 0.05 . 1 . . . . . . . . 5874 1 1016 . 1 1 138 138 THR CB C 13 68.967 0.05 . 1 . . . . . . . . 5874 1 1017 . 1 1 138 138 THR HB H 1 4.159 0.05 . 1 . . . . . . . . 5874 1 1018 . 1 1 138 138 THR HG21 H 1 1.179 0.05 . 1 . . . . . . . . 5874 1 1019 . 1 1 138 138 THR HG22 H 1 1.179 0.05 . 1 . . . . . . . . 5874 1 1020 . 1 1 138 138 THR HG23 H 1 1.179 0.05 . 1 . . . . . . . . 5874 1 1021 . 1 1 139 139 LYS N N 15 124.233 0.05 . 1 . . . . . . . . 5874 1 1022 . 1 1 139 139 LYS H H 1 8.365 0.05 . 1 . . . . . . . . 5874 1 1023 . 1 1 139 139 LYS CA C 13 55.325 0.05 . 1 . . . . . . . . 5874 1 1024 . 1 1 139 139 LYS HA H 1 4.358 0.05 . 1 . . . . . . . . 5874 1 1025 . 1 1 139 139 LYS CB C 13 32.806 0.05 . 1 . . . . . . . . 5874 1 1026 . 1 1 139 139 LYS HB3 H 1 1.809 0.05 . 1 . . . . . . . . 5874 1 1027 . 1 1 139 139 LYS HB2 H 1 1.809 0.05 . 1 . . . . . . . . 5874 1 1028 . 1 1 139 139 LYS HG3 H 1 1.413 0.05 . 1 . . . . . . . . 5874 1 1029 . 1 1 139 139 LYS HG2 H 1 1.413 0.05 . 1 . . . . . . . . 5874 1 1030 . 1 1 139 139 LYS HD3 H 1 1.730 0.05 . 1 . . . . . . . . 5874 1 1031 . 1 1 139 139 LYS HD2 H 1 1.730 0.05 . 1 . . . . . . . . 5874 1 1032 . 1 1 140 140 SER N N 15 119.147 0.05 . 1 . . . . . . . . 5874 1 1033 . 1 1 140 140 SER H H 1 8.488 0.05 . 1 . . . . . . . . 5874 1 1034 . 1 1 140 140 SER CA C 13 55.784 0.05 . 1 . . . . . . . . 5874 1 1035 . 1 1 140 140 SER HA H 1 4.381 0.05 . 1 . . . . . . . . 5874 1 1036 . 1 1 140 140 SER CB C 13 62.698 0.05 . 1 . . . . . . . . 5874 1 1037 . 1 1 140 140 SER HB3 H 1 3.851 0.05 . 1 . . . . . . . . 5874 1 1038 . 1 1 140 140 SER HB2 H 1 3.851 0.05 . 1 . . . . . . . . 5874 1 1039 . 1 1 141 141 PRO CA C 13 63.123 0.05 . 1 . . . . . . . . 5874 1 1040 . 1 1 141 141 PRO HA H 1 4.425 0.05 . 1 . . . . . . . . 5874 1 1041 . 1 1 141 141 PRO CB C 13 31.430 0.05 . 1 . . . . . . . . 5874 1 1042 . 1 1 141 141 PRO HB3 H 1 2.304 0.05 . 1 . . . . . . . . 5874 1 1043 . 1 1 141 141 PRO HB2 H 1 1.975 0.05 . 1 . . . . . . . . 5874 1 1044 . 1 1 142 142 GLY N N 15 108.762 0.05 . 1 . . . . . . . . 5874 1 1045 . 1 1 142 142 GLY H H 1 8.417 0.05 . 1 . . . . . . . . 5874 1 1046 . 1 1 142 142 GLY CA C 13 44.513 0.05 . 1 . . . . . . . . 5874 1 1047 . 1 1 142 142 GLY HA3 H 1 3.948 0.05 . 1 . . . . . . . . 5874 1 1048 . 1 1 142 142 GLY HA2 H 1 3.949 0.05 . 1 . . . . . . . . 5874 1 1049 . 1 1 143 143 GLU N N 15 120.630 0.05 . 1 . . . . . . . . 5874 1 1050 . 1 1 143 143 GLU H H 1 8.157 0.05 . 1 . . . . . . . . 5874 1 1051 . 1 1 143 143 GLU CA C 13 55.948 0.05 . 1 . . . . . . . . 5874 1 1052 . 1 1 143 143 GLU HA H 1 4.289 0.05 . 1 . . . . . . . . 5874 1 1053 . 1 1 143 143 GLU CB C 13 29.901 0.05 . 1 . . . . . . . . 5874 1 1054 . 1 1 143 143 GLU HB3 H 1 2.087 0.05 . 1 . . . . . . . . 5874 1 1055 . 1 1 143 143 GLU HB2 H 1 1.991 0.05 . 1 . . . . . . . . 5874 1 1056 . 1 1 143 143 GLU HG3 H 1 2.285 0.05 . 1 . . . . . . . . 5874 1 1057 . 1 1 144 144 THR N N 15 114.908 0.05 . 1 . . . . . . . . 5874 1 1058 . 1 1 144 144 THR H H 1 8.246 0.05 . 1 . . . . . . . . 5874 1 1059 . 1 1 144 144 THR CA C 13 61.288 0.05 . 1 . . . . . . . . 5874 1 1060 . 1 1 144 144 THR HA H 1 4.371 0.05 . 1 . . . . . . . . 5874 1 1061 . 1 1 144 144 THR CB C 13 68.814 0.05 . 1 . . . . . . . . 5874 1 1062 . 1 1 144 144 THR HB H 1 4.263 0.05 . 1 . . . . . . . . 5874 1 1063 . 1 1 144 144 THR HG21 H 1 1.212 0.05 . 1 . . . . . . . . 5874 1 1064 . 1 1 144 144 THR HG22 H 1 1.212 0.05 . 1 . . . . . . . . 5874 1 1065 . 1 1 144 144 THR HG23 H 1 1.212 0.05 . 1 . . . . . . . . 5874 1 1066 . 1 1 145 145 SER N N 15 118.001 0.05 . 1 . . . . . . . . 5874 1 1067 . 1 1 145 145 SER H H 1 8.226 0.05 . 1 . . . . . . . . 5874 1 1068 . 1 1 145 145 SER CA C 13 57.422 0.05 . 1 . . . . . . . . 5874 1 1069 . 1 1 145 145 SER CB C 13 63.157 0.05 . 1 . . . . . . . . 5874 1 1070 . 1 1 146 146 LYS N N 15 122.011 0.05 . 1 . . . . . . . . 5874 1 1071 . 1 1 146 146 LYS H H 1 8.283 0.05 . 1 . . . . . . . . 5874 1 1072 . 1 1 147 147 PRO CA C 13 62.337 0.05 . 1 . . . . . . . . 5874 1 1073 . 1 1 147 147 PRO HA H 1 4.404 0.05 . 1 . . . . . . . . 5874 1 1074 . 1 1 147 147 PRO CB C 13 31.659 0.05 . 1 . . . . . . . . 5874 1 1075 . 1 1 147 147 PRO HB3 H 1 2.265 0.05 . 1 . . . . . . . . 5874 1 1076 . 1 1 147 147 PRO HB2 H 1 2.166 0.05 . 1 . . . . . . . . 5874 1 1077 . 1 1 148 148 ARG N N 15 122.537 0.05 . 1 . . . . . . . . 5874 1 1078 . 1 1 148 148 ARG H H 1 8.451 0.05 . 1 . . . . . . . . 5874 1 1079 . 1 1 148 148 ARG CA C 13 53.261 0.05 . 1 . . . . . . . . 5874 1 1080 . 1 1 148 148 ARG HA H 1 4.573 0.05 . 1 . . . . . . . . 5874 1 1081 . 1 1 148 148 ARG CB C 13 29.671 0.05 . 1 . . . . . . . . 5874 1 1082 . 1 1 148 148 ARG HB3 H 1 1.804 0.05 . 1 . . . . . . . . 5874 1 1083 . 1 1 148 148 ARG HB2 H 1 1.804 0.05 . 1 . . . . . . . . 5874 1 1084 . 1 1 148 148 ARG HG3 H 1 1.685 0.05 . 1 . . . . . . . . 5874 1 1085 . 1 1 148 148 ARG HG2 H 1 1.685 0.05 . 1 . . . . . . . . 5874 1 1086 . 1 1 150 150 PHE CA C 13 57.324 0.05 . 1 . . . . . . . . 5874 1 1087 . 1 1 150 150 PHE HA H 1 4.511 0.05 . 1 . . . . . . . . 5874 1 1088 . 1 1 150 150 PHE CB C 13 38.234 0.05 . 1 . . . . . . . . 5874 1 1089 . 1 1 150 150 PHE HB3 H 1 2.949 0.05 . 1 . . . . . . . . 5874 1 1090 . 1 1 150 150 PHE HB2 H 1 2.849 0.05 . 1 . . . . . . . . 5874 1 1091 . 1 1 151 151 ALA N N 15 123.173 0.05 . 1 . . . . . . . . 5874 1 1092 . 1 1 151 151 ALA H H 1 8.183 0.05 . 1 . . . . . . . . 5874 1 1093 . 1 1 151 151 ALA CA C 13 55.030 0.05 . 1 . . . . . . . . 5874 1 1094 . 1 1 151 151 ALA CB C 13 19.045 0.05 . 1 . . . . . . . . 5874 1 1095 . 1 1 151 151 ALA HB1 H 1 1.483 0.05 . 1 . . . . . . . . 5874 1 1096 . 1 1 151 151 ALA HB2 H 1 1.483 0.05 . 1 . . . . . . . . 5874 1 1097 . 1 1 151 151 ALA HB3 H 1 1.483 0.05 . 1 . . . . . . . . 5874 1 1098 . 1 1 154 154 GLY HA3 H 1 3.880 0.05 . 1 . . . . . . . . 5874 1 1099 . 1 1 155 155 TYR N N 15 119.994 0.05 . 1 . . . . . . . . 5874 1 1100 . 1 1 155 155 TYR H H 1 8.037 0.05 . 1 . . . . . . . . 5874 1 1101 . 1 1 155 155 TYR HA H 1 4.512 0.05 . 1 . . . . . . . . 5874 1 1102 . 1 1 155 155 TYR HB3 H 1 2.910 0.05 . 1 . . . . . . . . 5874 1 1103 . 1 1 156 156 ARG N N 15 122.043 0.05 . 1 . . . . . . . . 5874 1 1104 . 1 1 156 156 ARG H H 1 8.020 0.05 . 1 . . . . . . . . 5874 1 1105 . 1 1 157 157 LEU CA C 13 54.768 0.05 . 1 . . . . . . . . 5874 1 1106 . 1 1 157 157 LEU HA H 1 4.270 0.05 . 1 . . . . . . . . 5874 1 1107 . 1 1 157 157 LEU CB C 13 41.750 0.05 . 1 . . . . . . . . 5874 1 1108 . 1 1 157 157 LEU HB3 H 1 1.598 0.05 . 1 . . . . . . . . 5874 1 1109 . 1 1 157 157 LEU HB2 H 1 1.598 0.05 . 1 . . . . . . . . 5874 1 1110 . 1 1 158 158 GLY N N 15 110.458 0.05 . 1 . . . . . . . . 5874 1 1111 . 1 1 158 158 GLY H H 1 8.443 0.05 . 1 . . . . . . . . 5874 1 1112 . 1 1 158 158 GLY CA C 13 44.611 0.05 . 1 . . . . . . . . 5874 1 1113 . 1 1 158 158 GLY HA3 H 1 3.949 0.05 . 1 . . . . . . . . 5874 1 1114 . 1 1 158 158 GLY HA2 H 1 3.884 0.05 . 1 . . . . . . . . 5874 1 1115 . 1 1 159 159 ALA N N 15 123.385 0.05 . 1 . . . . . . . . 5874 1 1116 . 1 1 159 159 ALA H H 1 8.024 0.05 . 1 . . . . . . . . 5874 1 1117 . 1 1 159 159 ALA CA C 13 51.328 0.05 . 1 . . . . . . . . 5874 1 1118 . 1 1 159 159 ALA HA H 1 4.330 0.05 . 1 . . . . . . . . 5874 1 1119 . 1 1 159 159 ALA CB C 13 19.427 0.05 . 1 . . . . . . . . 5874 1 1120 . 1 1 159 159 ALA HB1 H 1 1.346 0.05 . 1 . . . . . . . . 5874 1 1121 . 1 1 159 159 ALA HB2 H 1 1.346 0.05 . 1 . . . . . . . . 5874 1 1122 . 1 1 159 159 ALA HB3 H 1 1.346 0.05 . 1 . . . . . . . . 5874 1 1123 . 1 1 160 160 ALA N N 15 124.657 0.05 . 1 . . . . . . . . 5874 1 1124 . 1 1 160 160 ALA H H 1 8.304 0.05 . 1 . . . . . . . . 5874 1 1125 . 1 1 160 160 ALA CA C 13 49.788 0.05 . 1 . . . . . . . . 5874 1 1126 . 1 1 160 160 ALA HA H 1 4.531 0.05 . 1 . . . . . . . . 5874 1 1127 . 1 1 160 160 ALA CB C 13 17.974 0.05 . 1 . . . . . . . . 5874 1 1128 . 1 1 164 164 GLU CA C 13 53.844 0.05 . 1 . . . . . . . . 5874 1 1129 . 1 1 164 164 GLU HA H 1 4.270 0.05 . 1 . . . . . . . . 5874 1 1130 . 1 1 164 164 GLU CB C 13 29.595 0.05 . 1 . . . . . . . . 5874 1 1131 . 1 1 164 164 GLU HB3 H 1 1.751 0.05 . 1 . . . . . . . . 5874 1 1132 . 1 1 164 164 GLU HB2 H 1 1.640 0.05 . 1 . . . . . . . . 5874 1 1133 . 1 1 165 165 SER N N 15 116.604 0.05 . 1 . . . . . . . . 5874 1 1134 . 1 1 165 165 SER H H 1 8.295 0.05 . 1 . . . . . . . . 5874 1 1135 . 1 1 165 165 SER CA C 13 57.979 0.05 . 1 . . . . . . . . 5874 1 1136 . 1 1 165 165 SER HA H 1 4.384 0.05 . 1 . . . . . . . . 5874 1 1137 . 1 1 165 165 SER CB C 13 62.851 0.05 . 1 . . . . . . . . 5874 1 1138 . 1 1 165 165 SER HB3 H 1 3.859 0.05 . 1 . . . . . . . . 5874 1 1139 . 1 1 165 165 SER HB2 H 1 3.859 0.05 . 1 . . . . . . . . 5874 1 1140 . 1 1 166 166 ALA N N 15 125.504 0.05 . 1 . . . . . . . . 5874 1 1141 . 1 1 166 166 ALA H H 1 8.207 0.05 . 1 . . . . . . . . 5874 1 1142 . 1 1 166 166 ALA CA C 13 52.016 0.05 . 1 . . . . . . . . 5874 1 1143 . 1 1 166 166 ALA HA H 1 4.286 0.05 . 1 . . . . . . . . 5874 1 1144 . 1 1 166 166 ALA CB C 13 18.815 0.05 . 1 . . . . . . . . 5874 1 1145 . 1 1 166 166 ALA HB1 H 1 1.308 0.05 . 1 . . . . . . . . 5874 1 1146 . 1 1 166 166 ALA HB2 H 1 1.308 0.05 . 1 . . . . . . . . 5874 1 1147 . 1 1 166 166 ALA HB3 H 1 1.308 0.05 . 1 . . . . . . . . 5874 1 1148 . 1 1 167 167 TYR N N 15 119.570 0.05 . 1 . . . . . . . . 5874 1 1149 . 1 1 167 167 TYR H H 1 8.050 0.05 . 1 . . . . . . . . 5874 1 1150 . 1 1 167 167 TYR CA C 13 57.488 0.05 . 1 . . . . . . . . 5874 1 1151 . 1 1 167 167 TYR HA H 1 4.513 0.05 . 1 . . . . . . . . 5874 1 1152 . 1 1 167 167 TYR CB C 13 38.157 0.05 . 1 . . . . . . . . 5874 1 1153 . 1 1 167 167 TYR HB3 H 1 2.971 0.05 . 1 . . . . . . . . 5874 1 1154 . 1 1 167 167 TYR HB2 H 1 2.972 0.05 . 1 . . . . . . . . 5874 1 1155 . 1 1 168 168 VAL N N 15 123.809 0.05 . 1 . . . . . . . . 5874 1 1156 . 1 1 168 168 VAL H H 1 7.902 0.05 . 1 . . . . . . . . 5874 1 1157 . 1 1 168 168 VAL CA C 13 61.255 0.05 . 1 . . . . . . . . 5874 1 1158 . 1 1 168 168 VAL HA H 1 3.983 0.05 . 1 . . . . . . . . 5874 1 1159 . 1 1 168 168 VAL CB C 13 32.500 0.05 . 1 . . . . . . . . 5874 1 1160 . 1 1 168 168 VAL HB H 1 1.954 0.05 . 1 . . . . . . . . 5874 1 1161 . 1 1 168 168 VAL HG21 H 1 0.876 0.05 . 1 . . . . . . . . 5874 1 1162 . 1 1 168 168 VAL HG22 H 1 0.876 0.05 . 1 . . . . . . . . 5874 1 1163 . 1 1 168 168 VAL HG23 H 1 0.876 0.05 . 1 . . . . . . . . 5874 1 1164 . 1 1 168 168 VAL HG11 H 1 0.877 0.05 . 1 . . . . . . . . 5874 1 1165 . 1 1 168 168 VAL HG12 H 1 0.877 0.05 . 1 . . . . . . . . 5874 1 1166 . 1 1 168 168 VAL HG13 H 1 0.877 0.05 . 1 . . . . . . . . 5874 1 1167 . 1 1 169 169 ALA N N 15 127.835 0.05 . 1 . . . . . . . . 5874 1 1168 . 1 1 169 169 ALA H H 1 8.244 0.05 . 1 . . . . . . . . 5874 1 1169 . 1 1 169 169 ALA CA C 13 52.081 0.05 . 1 . . . . . . . . 5874 1 1170 . 1 1 169 169 ALA HA H 1 4.216 0.05 . 1 . . . . . . . . 5874 1 1171 . 1 1 169 169 ALA CB C 13 18.892 0.05 . 1 . . . . . . . . 5874 1 1172 . 1 1 169 169 ALA HB1 H 1 1.398 0.05 . 1 . . . . . . . . 5874 1 1173 . 1 1 169 169 ALA HB2 H 1 1.398 0.05 . 1 . . . . . . . . 5874 1 1174 . 1 1 169 169 ALA HB3 H 1 1.398 0.05 . 1 . . . . . . . . 5874 1 1175 . 1 1 170 170 GLY N N 15 108.127 0.05 . 1 . . . . . . . . 5874 1 1176 . 1 1 170 170 GLY H H 1 8.256 0.05 . 1 . . . . . . . . 5874 1 1177 . 1 1 170 170 GLY CA C 13 44.611 0.05 . 1 . . . . . . . . 5874 1 1178 . 1 1 170 170 GLY HA3 H 1 3.948 0.05 . 1 . . . . . . . . 5874 1 1179 . 1 1 170 170 GLY HA2 H 1 3.948 0.05 . 1 . . . . . . . . 5874 1 1180 . 1 1 172 172 ARG N N 15 120.773 0.05 . 1 . . . . . . . . 5874 1 1181 . 1 1 172 172 ARG H H 1 8.205 0.05 . 1 . . . . . . . . 5874 1 stop_ save_