data_4766 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4766 _Entry.Title ; Backbone and partial side chain resonance assignments of Vesl-1S ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-06-19 _Entry.Accession_date 2000-06-19 _Entry.Last_release_date 2000-10-30 _Entry.Original_release_date 2000-10-30 _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 Takeshi Tanaka . . . 4766 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4766 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 685 4766 '13C chemical shifts' 528 4766 '15N chemical shifts' 165 4766 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 . . 2000-10-30 2000-06-19 original author . 4766 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4766 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Assignments of the 1H, 13C, and 15N resonances of the 21 kDa Vesl/Homer family protein, Vesl-1S ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 18 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 181 _Citation.Page_last 182 _Citation.Year 2000 _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 Takeshi Tanaka . . . 4766 1 2 Mariko Sugai . . . 4766 1 3 Yutaka Ito . . . 4766 1 4 Kaoru Inokuchi . . . 4766 1 5 Toshiyuki Kohno . . . 4766 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Vesl-1S _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Vesl-1S _Assembly.Entry_ID 4766 _Assembly.ID 1 _Assembly.Name Vesl-1S _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 4766 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 Vesl-1S 1 $Vesl-1S . . . native . . . . . 4766 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 1DDW . 'A Chain A, Homer Evh1 Domain Unliganded' . . . . 4766 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Vesl-1S system 4766 1 Vesl-1S abbreviation 4766 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Vesl-1S _Entity.Sf_category entity _Entity.Sf_framecode Vesl-1S _Entity.Entry_ID 4766 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Vesl-1S _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 ; GPMGEQPIFSTRAHVFQIDP NTKKNWVPTSKHAVTVSYFY DSTRNVYRIISLDGSKAIIN STITPNMTFTKTSQKFGQWA DSRANTVYGLGFSSEHHLSK FAEKFQEFKEAARLAKEKSQ EKMELTSTPSQESAGGDLQS PLTPESINGTDDERTPDVTQ NSEPRAEPAQNALPFSHRYT FNSAIMIK ; _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 188 _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1DDV . "Crystal Structure Of The Homer Evh1 Domain With Bound Mglur Peptide" . . . . . 59.04 111 100.00 100.00 1.69e-75 . . . . 4766 1 2 no PDB 1DDW . "Homer Evh1 Domain Unliganded" . . . . . 63.30 120 99.16 99.16 6.53e-80 . . . . 4766 1 3 no PDB 1I2H . "Crystal Structure Analysis Of Psd-Zip45(Homer1cVESL-1l) Conserved Homer 1 Domain" . . . . . 86.70 168 100.00 100.00 1.71e-115 . . . . 4766 1 4 no DBJ BAA21671 . "Vesl [Rattus norvegicus]" . . . . . 98.94 186 100.00 100.00 1.96e-134 . . . . 4766 1 5 no DBJ BAA32477 . "Vesl-1L [Rattus norvegicus]" . . . . . 93.09 366 100.00 100.00 3.74e-126 . . . . 4766 1 6 no DBJ BAA34311 . "PSD-Zip45 [Rattus norvegicus]" . . . . . 93.09 366 100.00 100.00 3.21e-126 . . . . 4766 1 7 no DBJ BAA34353 . "Vesl-1S [Mus musculus]" . . . . . 98.94 186 98.92 98.92 1.06e-132 . . . . 4766 1 8 no DBJ BAA34354 . "Vesl-1L [Mus musculus]" . . . . . 93.09 366 98.86 98.86 2.51e-124 . . . . 4766 1 9 no EMBL CAA76877 . "Syn47 protein [Homo sapiens]" . . . . . 93.09 354 99.43 99.43 1.81e-125 . . . . 4766 1 10 no EMBL CAB77249 . "Homer-1a protein [Rattus norvegicus]" . . . . . 98.94 186 100.00 100.00 1.96e-134 . . . . 4766 1 11 no EMBL CAB77250 . "Homer-1c protein [Rattus norvegicus]" . . . . . 93.09 366 100.00 100.00 3.21e-126 . . . . 4766 1 12 no EMBL CAH90340 . "hypothetical protein [Pongo abelii]" . . . . . 93.09 354 97.71 98.29 3.47e-122 . . . . 4766 1 13 no GB AAC53113 . "GLGF-domain protein Homer [Rattus norvegicus]" . . . . . 100.00 189 99.47 99.47 3.62e-135 . . . . 4766 1 14 no GB AAC71021 . "homer-1a [Mus musculus]" . . . . . 98.94 186 98.92 98.92 1.06e-132 . . . . 4766 1 15 no GB AAC71022 . "homer-1b [Mus musculus]" . . . . . 93.09 354 98.86 98.86 2.31e-124 . . . . 4766 1 16 no GB AAC71026 . "homer-1b [Homo sapiens]" . . . . . 93.09 354 99.43 99.43 1.81e-125 . . . . 4766 1 17 no GB AAC71031 . "homer-1b [Rattus norvegicus]" . . . . . 93.09 354 100.00 100.00 1.66e-126 . . . . 4766 1 18 no REF NP_001069520 . "homer protein homolog 1 [Bos taurus]" . . . . . 93.09 354 97.71 98.86 2.23e-123 . . . . 4766 1 19 no REF NP_001125162 . "homer protein homolog 1 [Pongo abelii]" . . . . . 93.09 354 97.71 98.29 3.47e-122 . . . . 4766 1 20 no REF NP_001230740 . "homer homolog 1 [Sus scrofa]" . . . . . 93.09 354 98.29 98.86 1.09e-123 . . . . 4766 1 21 no REF NP_001248499 . "homer protein homolog 1 [Macaca mulatta]" . . . . . 93.09 354 99.43 99.43 1.95e-125 . . . . 4766 1 22 no REF NP_001264006 . "homer protein homolog 1 isoform 2 [Homo sapiens]" . . . . . 53.72 224 98.02 98.02 4.27e-67 . . . . 4766 1 23 no SP Q2KJ56 . "RecName: Full=Homer protein homolog 1; Short=Homer-1 [Bos taurus]" . . . . . 93.09 354 97.71 98.86 2.23e-123 . . . . 4766 1 24 no SP Q86YM7 . "RecName: Full=Homer protein homolog 1; Short=Homer-1 [Homo sapiens]" . . . . . 93.09 354 99.43 99.43 1.81e-125 . . . . 4766 1 25 no SP Q9Z214 . "RecName: Full=Homer protein homolog 1; AltName: Full=PSD-Zip45; AltName: Full=VASP/Ena-related gene up-regulated during seizure" . . . . . 93.09 366 100.00 100.00 3.21e-126 . . . . 4766 1 26 no SP Q9Z2Y3 . "RecName: Full=Homer protein homolog 1; Short=Homer-1; AltName: Full=VASP/Ena-related gene up-regulated during seizure and LTP 1" . . . . . 93.09 366 98.86 98.86 2.76e-124 . . . . 4766 1 27 no TPG DAA25767 . "TPA: homer protein homolog 1 [Bos taurus]" . . . . . 93.09 354 97.71 98.86 2.23e-123 . . . . 4766 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Vesl-1S common 4766 1 'Homer 1a' variant 4766 1 Vesl-1S abbreviation 4766 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 . GLY . 4766 1 2 . PRO . 4766 1 3 . MET . 4766 1 4 . GLY . 4766 1 5 . GLU . 4766 1 6 . GLN . 4766 1 7 . PRO . 4766 1 8 . ILE . 4766 1 9 . PHE . 4766 1 10 . SER . 4766 1 11 . THR . 4766 1 12 . ARG . 4766 1 13 . ALA . 4766 1 14 . HIS . 4766 1 15 . VAL . 4766 1 16 . PHE . 4766 1 17 . GLN . 4766 1 18 . ILE . 4766 1 19 . ASP . 4766 1 20 . PRO . 4766 1 21 . ASN . 4766 1 22 . THR . 4766 1 23 . LYS . 4766 1 24 . LYS . 4766 1 25 . ASN . 4766 1 26 . TRP . 4766 1 27 . VAL . 4766 1 28 . PRO . 4766 1 29 . THR . 4766 1 30 . SER . 4766 1 31 . LYS . 4766 1 32 . HIS . 4766 1 33 . ALA . 4766 1 34 . VAL . 4766 1 35 . THR . 4766 1 36 . VAL . 4766 1 37 . SER . 4766 1 38 . TYR . 4766 1 39 . PHE . 4766 1 40 . TYR . 4766 1 41 . ASP . 4766 1 42 . SER . 4766 1 43 . THR . 4766 1 44 . ARG . 4766 1 45 . ASN . 4766 1 46 . VAL . 4766 1 47 . TYR . 4766 1 48 . ARG . 4766 1 49 . ILE . 4766 1 50 . ILE . 4766 1 51 . SER . 4766 1 52 . LEU . 4766 1 53 . ASP . 4766 1 54 . GLY . 4766 1 55 . SER . 4766 1 56 . LYS . 4766 1 57 . ALA . 4766 1 58 . ILE . 4766 1 59 . ILE . 4766 1 60 . ASN . 4766 1 61 . SER . 4766 1 62 . THR . 4766 1 63 . ILE . 4766 1 64 . THR . 4766 1 65 . PRO . 4766 1 66 . ASN . 4766 1 67 . MET . 4766 1 68 . THR . 4766 1 69 . PHE . 4766 1 70 . THR . 4766 1 71 . LYS . 4766 1 72 . THR . 4766 1 73 . SER . 4766 1 74 . GLN . 4766 1 75 . LYS . 4766 1 76 . PHE . 4766 1 77 . GLY . 4766 1 78 . GLN . 4766 1 79 . TRP . 4766 1 80 . ALA . 4766 1 81 . ASP . 4766 1 82 . SER . 4766 1 83 . ARG . 4766 1 84 . ALA . 4766 1 85 . ASN . 4766 1 86 . THR . 4766 1 87 . VAL . 4766 1 88 . TYR . 4766 1 89 . GLY . 4766 1 90 . LEU . 4766 1 91 . GLY . 4766 1 92 . PHE . 4766 1 93 . SER . 4766 1 94 . SER . 4766 1 95 . GLU . 4766 1 96 . HIS . 4766 1 97 . HIS . 4766 1 98 . LEU . 4766 1 99 . SER . 4766 1 100 . LYS . 4766 1 101 . PHE . 4766 1 102 . ALA . 4766 1 103 . GLU . 4766 1 104 . LYS . 4766 1 105 . PHE . 4766 1 106 . GLN . 4766 1 107 . GLU . 4766 1 108 . PHE . 4766 1 109 . LYS . 4766 1 110 . GLU . 4766 1 111 . ALA . 4766 1 112 . ALA . 4766 1 113 . ARG . 4766 1 114 . LEU . 4766 1 115 . ALA . 4766 1 116 . LYS . 4766 1 117 . GLU . 4766 1 118 . LYS . 4766 1 119 . SER . 4766 1 120 . GLN . 4766 1 121 . GLU . 4766 1 122 . LYS . 4766 1 123 . MET . 4766 1 124 . GLU . 4766 1 125 . LEU . 4766 1 126 . THR . 4766 1 127 . SER . 4766 1 128 . THR . 4766 1 129 . PRO . 4766 1 130 . SER . 4766 1 131 . GLN . 4766 1 132 . GLU . 4766 1 133 . SER . 4766 1 134 . ALA . 4766 1 135 . GLY . 4766 1 136 . GLY . 4766 1 137 . ASP . 4766 1 138 . LEU . 4766 1 139 . GLN . 4766 1 140 . SER . 4766 1 141 . PRO . 4766 1 142 . LEU . 4766 1 143 . THR . 4766 1 144 . PRO . 4766 1 145 . GLU . 4766 1 146 . SER . 4766 1 147 . ILE . 4766 1 148 . ASN . 4766 1 149 . GLY . 4766 1 150 . THR . 4766 1 151 . ASP . 4766 1 152 . ASP . 4766 1 153 . GLU . 4766 1 154 . ARG . 4766 1 155 . THR . 4766 1 156 . PRO . 4766 1 157 . ASP . 4766 1 158 . VAL . 4766 1 159 . THR . 4766 1 160 . GLN . 4766 1 161 . ASN . 4766 1 162 . SER . 4766 1 163 . GLU . 4766 1 164 . PRO . 4766 1 165 . ARG . 4766 1 166 . ALA . 4766 1 167 . GLU . 4766 1 168 . PRO . 4766 1 169 . ALA . 4766 1 170 . GLN . 4766 1 171 . ASN . 4766 1 172 . ALA . 4766 1 173 . LEU . 4766 1 174 . PRO . 4766 1 175 . PHE . 4766 1 176 . SER . 4766 1 177 . HIS . 4766 1 178 . ARG . 4766 1 179 . TYR . 4766 1 180 . THR . 4766 1 181 . PHE . 4766 1 182 . ASN . 4766 1 183 . SER . 4766 1 184 . ALA . 4766 1 185 . ILE . 4766 1 186 . MET . 4766 1 187 . ILE . 4766 1 188 . LYS . 4766 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 4766 1 . PRO 2 2 4766 1 . MET 3 3 4766 1 . GLY 4 4 4766 1 . GLU 5 5 4766 1 . GLN 6 6 4766 1 . PRO 7 7 4766 1 . ILE 8 8 4766 1 . PHE 9 9 4766 1 . SER 10 10 4766 1 . THR 11 11 4766 1 . ARG 12 12 4766 1 . ALA 13 13 4766 1 . HIS 14 14 4766 1 . VAL 15 15 4766 1 . PHE 16 16 4766 1 . GLN 17 17 4766 1 . ILE 18 18 4766 1 . ASP 19 19 4766 1 . PRO 20 20 4766 1 . ASN 21 21 4766 1 . THR 22 22 4766 1 . LYS 23 23 4766 1 . LYS 24 24 4766 1 . ASN 25 25 4766 1 . TRP 26 26 4766 1 . VAL 27 27 4766 1 . PRO 28 28 4766 1 . THR 29 29 4766 1 . SER 30 30 4766 1 . LYS 31 31 4766 1 . HIS 32 32 4766 1 . ALA 33 33 4766 1 . VAL 34 34 4766 1 . THR 35 35 4766 1 . VAL 36 36 4766 1 . SER 37 37 4766 1 . TYR 38 38 4766 1 . PHE 39 39 4766 1 . TYR 40 40 4766 1 . ASP 41 41 4766 1 . SER 42 42 4766 1 . THR 43 43 4766 1 . ARG 44 44 4766 1 . ASN 45 45 4766 1 . VAL 46 46 4766 1 . TYR 47 47 4766 1 . ARG 48 48 4766 1 . ILE 49 49 4766 1 . ILE 50 50 4766 1 . SER 51 51 4766 1 . LEU 52 52 4766 1 . ASP 53 53 4766 1 . GLY 54 54 4766 1 . SER 55 55 4766 1 . LYS 56 56 4766 1 . ALA 57 57 4766 1 . ILE 58 58 4766 1 . ILE 59 59 4766 1 . ASN 60 60 4766 1 . SER 61 61 4766 1 . THR 62 62 4766 1 . ILE 63 63 4766 1 . THR 64 64 4766 1 . PRO 65 65 4766 1 . ASN 66 66 4766 1 . MET 67 67 4766 1 . THR 68 68 4766 1 . PHE 69 69 4766 1 . THR 70 70 4766 1 . LYS 71 71 4766 1 . THR 72 72 4766 1 . SER 73 73 4766 1 . GLN 74 74 4766 1 . LYS 75 75 4766 1 . PHE 76 76 4766 1 . GLY 77 77 4766 1 . GLN 78 78 4766 1 . TRP 79 79 4766 1 . ALA 80 80 4766 1 . ASP 81 81 4766 1 . SER 82 82 4766 1 . ARG 83 83 4766 1 . ALA 84 84 4766 1 . ASN 85 85 4766 1 . THR 86 86 4766 1 . VAL 87 87 4766 1 . TYR 88 88 4766 1 . GLY 89 89 4766 1 . LEU 90 90 4766 1 . GLY 91 91 4766 1 . PHE 92 92 4766 1 . SER 93 93 4766 1 . SER 94 94 4766 1 . GLU 95 95 4766 1 . HIS 96 96 4766 1 . HIS 97 97 4766 1 . LEU 98 98 4766 1 . SER 99 99 4766 1 . LYS 100 100 4766 1 . PHE 101 101 4766 1 . ALA 102 102 4766 1 . GLU 103 103 4766 1 . LYS 104 104 4766 1 . PHE 105 105 4766 1 . GLN 106 106 4766 1 . GLU 107 107 4766 1 . PHE 108 108 4766 1 . LYS 109 109 4766 1 . GLU 110 110 4766 1 . ALA 111 111 4766 1 . ALA 112 112 4766 1 . ARG 113 113 4766 1 . LEU 114 114 4766 1 . ALA 115 115 4766 1 . LYS 116 116 4766 1 . GLU 117 117 4766 1 . LYS 118 118 4766 1 . SER 119 119 4766 1 . GLN 120 120 4766 1 . GLU 121 121 4766 1 . LYS 122 122 4766 1 . MET 123 123 4766 1 . GLU 124 124 4766 1 . LEU 125 125 4766 1 . THR 126 126 4766 1 . SER 127 127 4766 1 . THR 128 128 4766 1 . PRO 129 129 4766 1 . SER 130 130 4766 1 . GLN 131 131 4766 1 . GLU 132 132 4766 1 . SER 133 133 4766 1 . ALA 134 134 4766 1 . GLY 135 135 4766 1 . GLY 136 136 4766 1 . ASP 137 137 4766 1 . LEU 138 138 4766 1 . GLN 139 139 4766 1 . SER 140 140 4766 1 . PRO 141 141 4766 1 . LEU 142 142 4766 1 . THR 143 143 4766 1 . PRO 144 144 4766 1 . GLU 145 145 4766 1 . SER 146 146 4766 1 . ILE 147 147 4766 1 . ASN 148 148 4766 1 . GLY 149 149 4766 1 . THR 150 150 4766 1 . ASP 151 151 4766 1 . ASP 152 152 4766 1 . GLU 153 153 4766 1 . ARG 154 154 4766 1 . THR 155 155 4766 1 . PRO 156 156 4766 1 . ASP 157 157 4766 1 . VAL 158 158 4766 1 . THR 159 159 4766 1 . GLN 160 160 4766 1 . ASN 161 161 4766 1 . SER 162 162 4766 1 . GLU 163 163 4766 1 . PRO 164 164 4766 1 . ARG 165 165 4766 1 . ALA 166 166 4766 1 . GLU 167 167 4766 1 . PRO 168 168 4766 1 . ALA 169 169 4766 1 . GLN 170 170 4766 1 . ASN 171 171 4766 1 . ALA 172 172 4766 1 . LEU 173 173 4766 1 . PRO 174 174 4766 1 . PHE 175 175 4766 1 . SER 176 176 4766 1 . HIS 177 177 4766 1 . ARG 178 178 4766 1 . TYR 179 179 4766 1 . THR 180 180 4766 1 . PHE 181 181 4766 1 . ASN 182 182 4766 1 . SER 183 183 4766 1 . ALA 184 184 4766 1 . ILE 185 185 4766 1 . MET 186 186 4766 1 . ILE 187 187 4766 1 . LYS 188 188 4766 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 4766 _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 $Vesl-1S . 10116 . . 'Rattus norvegicus' rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 4766 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 4766 _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 $Vesl-1S . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 4766 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4766 _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 Vesl-1S '[U-99% 13C; U-99% 15N]' . . 1 $Vesl-1S . . . 1 1.3 mM . . . . 4766 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4766 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.2 n/a 4766 1 temperature 303 1 K 4766 1 stop_ 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 4766 _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 4766 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4766 _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 . . . 4766 1 2 NMR_spectrometer_2 Bruker DRX . 600 . . . 4766 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 4766 _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 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4766 1 2 CBCA(CO)NNH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4766 1 3 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4766 1 4 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4766 1 5 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4766 1 6 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4766 1 7 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4766 1 8 HBHA(CBCACO)NNH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4766 1 9 H(CACO)NNH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4766 1 10 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4766 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 4766 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _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 4766 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name CBCA(CO)NNH _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 4766 _NMR_spec_expt.ID 3 _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4766 _NMR_spec_expt.ID 4 _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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4766 _NMR_spec_expt.ID 5 _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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4766 _NMR_spec_expt.ID 6 _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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4766 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HN(CA)CO _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 4766 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HBHA(CBCACO)NNH _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_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4766 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name H(CACO)NNH _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_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4766 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HCCH-TOCSY _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 4766 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct . . . . . . . . . . 4766 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4766 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4766 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 4766 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4766 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY CA C 13 43.68 0.00 . . . . . . . . . . 4766 1 2 . 1 1 1 1 GLY H H 1 7.15 0.00 . . . . . . . . . . 4766 1 3 . 1 1 1 1 GLY N N 15 128.78 0.00 . . . . . . . . . . 4766 1 4 . 1 1 2 2 PRO C C 13 177.03 0.01 . . . . . . . . . . 4766 1 5 . 1 1 2 2 PRO CA C 13 63.16 0.03 . . . . . . . . . . 4766 1 6 . 1 1 2 2 PRO CB C 13 32.03 0.00 . . . . . . . . . . 4766 1 7 . 1 1 2 2 PRO HA H 1 4.35 0.00 . . . . . . . . . . 4766 1 8 . 1 1 2 2 PRO HB2 H 1 2.18 0.00 . . . . . . . . . . 4766 1 9 . 1 1 2 2 PRO HB3 H 1 1.83 0.00 . . . . . . . . . . 4766 1 10 . 1 1 3 3 MET C C 13 176.69 0.01 . . . . . . . . . . 4766 1 11 . 1 1 3 3 MET CA C 13 55.44 0.04 . . . . . . . . . . 4766 1 12 . 1 1 3 3 MET CB C 13 32.59 0.03 . . . . . . . . . . 4766 1 13 . 1 1 3 3 MET H H 1 8.45 0.01 . . . . . . . . . . 4766 1 14 . 1 1 3 3 MET HA H 1 4.40 0.01 . . . . . . . . . . 4766 1 15 . 1 1 3 3 MET HB2 H 1 2.01 0.00 . . . . . . . . . . 4766 1 16 . 1 1 3 3 MET HB3 H 1 1.92 0.00 . . . . . . . . . . 4766 1 17 . 1 1 3 3 MET HE1 H 1 2.21 0.00 . . . . . . . . . . 4766 1 18 . 1 1 3 3 MET HE2 H 1 2.21 0.00 . . . . . . . . . . 4766 1 19 . 1 1 3 3 MET HE3 H 1 2.21 0.00 . . . . . . . . . . 4766 1 20 . 1 1 3 3 MET HG2 H 1 2.48 0.00 . . . . . . . . . . 4766 1 21 . 1 1 3 3 MET HG3 H 1 2.44 0.00 . . . . . . . . . . 4766 1 22 . 1 1 3 3 MET N N 15 121.78 0.04 . . . . . . . . . . 4766 1 23 . 1 1 4 4 GLY C C 13 174.07 0.04 . . . . . . . . . . 4766 1 24 . 1 1 4 4 GLY CA C 13 45.15 0.07 . . . . . . . . . . 4766 1 25 . 1 1 4 4 GLY H H 1 8.22 0.01 . . . . . . . . . . 4766 1 26 . 1 1 4 4 GLY HA2 H 1 3.90 0.01 . . . . . . . . . . 4766 1 27 . 1 1 4 4 GLY N N 15 111.26 0.03 . . . . . . . . . . 4766 1 28 . 1 1 5 5 GLU C C 13 176.14 0.00 . . . . . . . . . . 4766 1 29 . 1 1 5 5 GLU CA C 13 56.17 0.06 . . . . . . . . . . 4766 1 30 . 1 1 5 5 GLU CB C 13 30.44 0.02 . . . . . . . . . . 4766 1 31 . 1 1 5 5 GLU H H 1 8.16 0.01 . . . . . . . . . . 4766 1 32 . 1 1 5 5 GLU HA H 1 4.39 0.01 . . . . . . . . . . 4766 1 33 . 1 1 5 5 GLU HB2 H 1 2.03 0.00 . . . . . . . . . . 4766 1 34 . 1 1 5 5 GLU HB3 H 1 1.86 0.01 . . . . . . . . . . 4766 1 35 . 1 1 5 5 GLU HG2 H 1 2.29 0.00 . . . . . . . . . . 4766 1 36 . 1 1 5 5 GLU HG3 H 1 2.22 0.00 . . . . . . . . . . 4766 1 37 . 1 1 5 5 GLU N N 15 121.94 0.04 . . . . . . . . . . 4766 1 38 . 1 1 6 6 GLN C C 13 173.56 0.00 . . . . . . . . . . 4766 1 39 . 1 1 6 6 GLN CA C 13 52.82 0.00 . . . . . . . . . . 4766 1 40 . 1 1 6 6 GLN CB C 13 29.32 0.00 . . . . . . . . . . 4766 1 41 . 1 1 6 6 GLN H H 1 8.39 0.01 . . . . . . . . . . 4766 1 42 . 1 1 6 6 GLN N N 15 122.57 0.05 . . . . . . . . . . 4766 1 43 . 1 1 7 7 PRO C C 13 177.03 0.00 . . . . . . . . . . 4766 1 44 . 1 1 7 7 PRO CA C 13 62.29 0.06 . . . . . . . . . . 4766 1 45 . 1 1 7 7 PRO CB C 13 31.87 0.00 . . . . . . . . . . 4766 1 46 . 1 1 7 7 PRO HA H 1 3.63 0.05 . . . . . . . . . . 4766 1 47 . 1 1 7 7 PRO HB2 H 1 1.41 0.02 . . . . . . . . . . 4766 1 48 . 1 1 7 7 PRO HB3 H 1 1.25 0.05 . . . . . . . . . . 4766 1 49 . 1 1 7 7 PRO HD2 H 1 3.67 0.00 . . . . . . . . . . 4766 1 50 . 1 1 7 7 PRO HG2 H 1 1.90 0.00 . . . . . . . . . . 4766 1 51 . 1 1 8 8 ILE C C 13 176.34 0.03 . . . . . . . . . . 4766 1 52 . 1 1 8 8 ILE CA C 13 61.85 0.04 . . . . . . . . . . 4766 1 53 . 1 1 8 8 ILE CB C 13 38.81 0.04 . . . . . . . . . . 4766 1 54 . 1 1 8 8 ILE H H 1 8.48 0.01 . . . . . . . . . . 4766 1 55 . 1 1 8 8 ILE HA H 1 4.14 0.01 . . . . . . . . . . 4766 1 56 . 1 1 8 8 ILE HB H 1 1.70 0.01 . . . . . . . . . . 4766 1 57 . 1 1 8 8 ILE HG12 H 1 0.96 0.00 . . . . . . . . . . 4766 1 58 . 1 1 8 8 ILE HG13 H 1 0.69 0.00 . . . . . . . . . . 4766 1 59 . 1 1 8 8 ILE HG21 H 1 0.87 0.00 . . . . . . . . . . 4766 1 60 . 1 1 8 8 ILE HG22 H 1 0.87 0.00 . . . . . . . . . . 4766 1 61 . 1 1 8 8 ILE HG23 H 1 0.87 0.00 . . . . . . . . . . 4766 1 62 . 1 1 8 8 ILE N N 15 120.66 0.02 . . . . . . . . . . 4766 1 63 . 1 1 9 9 PHE C C 13 173.54 0.07 . . . . . . . . . . 4766 1 64 . 1 1 9 9 PHE CA C 13 58.21 0.03 . . . . . . . . . . 4766 1 65 . 1 1 9 9 PHE CB C 13 41.72 0.05 . . . . . . . . . . 4766 1 66 . 1 1 9 9 PHE H H 1 7.14 0.00 . . . . . . . . . . 4766 1 67 . 1 1 9 9 PHE HA H 1 4.63 0.01 . . . . . . . . . . 4766 1 68 . 1 1 9 9 PHE HB2 H 1 3.39 0.01 . . . . . . . . . . 4766 1 69 . 1 1 9 9 PHE N N 15 120.20 0.07 . . . . . . . . . . 4766 1 70 . 1 1 10 10 SER C C 13 170.68 0.03 . . . . . . . . . . 4766 1 71 . 1 1 10 10 SER CA C 13 57.34 0.08 . . . . . . . . . . 4766 1 72 . 1 1 10 10 SER CB C 13 66.40 0.01 . . . . . . . . . . 4766 1 73 . 1 1 10 10 SER H H 1 7.79 0.01 . . . . . . . . . . 4766 1 74 . 1 1 10 10 SER HA H 1 5.36 0.02 . . . . . . . . . . 4766 1 75 . 1 1 10 10 SER HB2 H 1 3.55 0.03 . . . . . . . . . . 4766 1 76 . 1 1 10 10 SER HB3 H 1 3.31 0.03 . . . . . . . . . . 4766 1 77 . 1 1 10 10 SER N N 15 124.92 0.05 . . . . . . . . . . 4766 1 78 . 1 1 11 11 THR C C 13 171.74 0.06 . . . . . . . . . . 4766 1 79 . 1 1 11 11 THR CA C 13 59.32 0.06 . . . . . . . . . . 4766 1 80 . 1 1 11 11 THR CB C 13 69.80 0.03 . . . . . . . . . . 4766 1 81 . 1 1 11 11 THR H H 1 8.81 0.01 . . . . . . . . . . 4766 1 82 . 1 1 11 11 THR HA H 1 4.52 0.02 . . . . . . . . . . 4766 1 83 . 1 1 11 11 THR HB H 1 4.10 0.01 . . . . . . . . . . 4766 1 84 . 1 1 11 11 THR HG21 H 1 1.18 0.00 . . . . . . . . . . 4766 1 85 . 1 1 11 11 THR HG22 H 1 1.18 0.00 . . . . . . . . . . 4766 1 86 . 1 1 11 11 THR HG23 H 1 1.18 0.00 . . . . . . . . . . 4766 1 87 . 1 1 11 11 THR N N 15 119.76 0.02 . . . . . . . . . . 4766 1 88 . 1 1 12 12 ARG C C 13 175.05 0.02 . . . . . . . . . . 4766 1 89 . 1 1 12 12 ARG CA C 13 54.08 0.06 . . . . . . . . . . 4766 1 90 . 1 1 12 12 ARG CB C 13 32.40 0.05 . . . . . . . . . . 4766 1 91 . 1 1 12 12 ARG H H 1 8.07 0.01 . . . . . . . . . . 4766 1 92 . 1 1 12 12 ARG HA H 1 5.28 0.02 . . . . . . . . . . 4766 1 93 . 1 1 12 12 ARG HB2 H 1 1.56 0.01 . . . . . . . . . . 4766 1 94 . 1 1 12 12 ARG HB3 H 1 1.38 0.03 . . . . . . . . . . 4766 1 95 . 1 1 12 12 ARG HD2 H 1 2.94 0.00 . . . . . . . . . . 4766 1 96 . 1 1 12 12 ARG N N 15 124.82 0.03 . . . . . . . . . . 4766 1 97 . 1 1 13 13 ALA C C 13 175.95 0.03 . . . . . . . . . . 4766 1 98 . 1 1 13 13 ALA CA C 13 51.24 0.07 . . . . . . . . . . 4766 1 99 . 1 1 13 13 ALA CB C 13 22.18 0.07 . . . . . . . . . . 4766 1 100 . 1 1 13 13 ALA H H 1 8.94 0.01 . . . . . . . . . . 4766 1 101 . 1 1 13 13 ALA HA H 1 4.44 0.02 . . . . . . . . . . 4766 1 102 . 1 1 13 13 ALA HB1 H 1 0.51 0.04 . . . . . . . . . . 4766 1 103 . 1 1 13 13 ALA HB2 H 1 0.51 0.04 . . . . . . . . . . 4766 1 104 . 1 1 13 13 ALA HB3 H 1 0.51 0.04 . . . . . . . . . . 4766 1 105 . 1 1 13 13 ALA N N 15 125.06 0.05 . . . . . . . . . . 4766 1 106 . 1 1 14 14 HIS C C 13 174.59 0.01 . . . . . . . . . . 4766 1 107 . 1 1 14 14 HIS CA C 13 57.47 0.06 . . . . . . . . . . 4766 1 108 . 1 1 14 14 HIS CB C 13 31.27 0.13 . . . . . . . . . . 4766 1 109 . 1 1 14 14 HIS H H 1 8.58 0.01 . . . . . . . . . . 4766 1 110 . 1 1 14 14 HIS HA H 1 4.69 0.02 . . . . . . . . . . 4766 1 111 . 1 1 14 14 HIS HB2 H 1 3.14 0.01 . . . . . . . . . . 4766 1 112 . 1 1 14 14 HIS HB3 H 1 2.87 0.03 . . . . . . . . . . 4766 1 113 . 1 1 14 14 HIS N N 15 121.25 0.13 . . . . . . . . . . 4766 1 114 . 1 1 15 15 VAL C C 13 175.05 0.01 . . . . . . . . . . 4766 1 115 . 1 1 15 15 VAL CA C 13 62.08 0.03 . . . . . . . . . . 4766 1 116 . 1 1 15 15 VAL CB C 13 32.96 0.08 . . . . . . . . . . 4766 1 117 . 1 1 15 15 VAL H H 1 7.84 0.02 . . . . . . . . . . 4766 1 118 . 1 1 15 15 VAL HA H 1 4.51 0.02 . . . . . . . . . . 4766 1 119 . 1 1 15 15 VAL HB H 1 1.49 0.02 . . . . . . . . . . 4766 1 120 . 1 1 15 15 VAL HG11 H 1 0.90 0.00 . . . . . . . . . . 4766 1 121 . 1 1 15 15 VAL HG12 H 1 0.90 0.00 . . . . . . . . . . 4766 1 122 . 1 1 15 15 VAL HG13 H 1 0.90 0.00 . . . . . . . . . . 4766 1 123 . 1 1 15 15 VAL HG21 H 1 0.58 0.00 . . . . . . . . . . 4766 1 124 . 1 1 15 15 VAL HG22 H 1 0.58 0.00 . . . . . . . . . . 4766 1 125 . 1 1 15 15 VAL HG23 H 1 0.58 0.00 . . . . . . . . . . 4766 1 126 . 1 1 15 15 VAL N N 15 124.38 0.07 . . . . . . . . . . 4766 1 127 . 1 1 16 16 PHE C C 13 174.99 0.04 . . . . . . . . . . 4766 1 128 . 1 1 16 16 PHE CA C 13 55.95 0.07 . . . . . . . . . . 4766 1 129 . 1 1 16 16 PHE CB C 13 45.02 0.00 . . . . . . . . . . 4766 1 130 . 1 1 16 16 PHE H H 1 9.51 0.01 . . . . . . . . . . 4766 1 131 . 1 1 16 16 PHE HA H 1 5.43 0.01 . . . . . . . . . . 4766 1 132 . 1 1 16 16 PHE HB2 H 1 3.17 0.00 . . . . . . . . . . 4766 1 133 . 1 1 16 16 PHE HB3 H 1 2.51 0.02 . . . . . . . . . . 4766 1 134 . 1 1 16 16 PHE N N 15 129.03 0.04 . . . . . . . . . . 4766 1 135 . 1 1 17 17 GLN C C 13 175.66 0.03 . . . . . . . . . . 4766 1 136 . 1 1 17 17 GLN CA C 13 54.44 0.04 . . . . . . . . . . 4766 1 137 . 1 1 17 17 GLN CB C 13 34.30 0.01 . . . . . . . . . . 4766 1 138 . 1 1 17 17 GLN H H 1 9.09 0.01 . . . . . . . . . . 4766 1 139 . 1 1 17 17 GLN HA H 1 4.00 0.00 . . . . . . . . . . 4766 1 140 . 1 1 17 17 GLN HB2 H 1 1.86 0.00 . . . . . . . . . . 4766 1 141 . 1 1 17 17 GLN N N 15 118.99 0.03 . . . . . . . . . . 4766 1 142 . 1 1 18 18 ILE C C 13 175.06 0.05 . . . . . . . . . . 4766 1 143 . 1 1 18 18 ILE CA C 13 59.53 0.09 . . . . . . . . . . 4766 1 144 . 1 1 18 18 ILE CB C 13 38.67 0.04 . . . . . . . . . . 4766 1 145 . 1 1 18 18 ILE H H 1 7.72 0.01 . . . . . . . . . . 4766 1 146 . 1 1 18 18 ILE HA H 1 3.77 0.01 . . . . . . . . . . 4766 1 147 . 1 1 18 18 ILE HB H 1 0.94 0.04 . . . . . . . . . . 4766 1 148 . 1 1 18 18 ILE HG12 H 1 0.43 0.00 . . . . . . . . . . 4766 1 149 . 1 1 18 18 ILE HG13 H 1 0.19 0.00 . . . . . . . . . . 4766 1 150 . 1 1 18 18 ILE HG21 H 1 0.30 0.00 . . . . . . . . . . 4766 1 151 . 1 1 18 18 ILE HG22 H 1 0.30 0.00 . . . . . . . . . . 4766 1 152 . 1 1 18 18 ILE HG23 H 1 0.30 0.00 . . . . . . . . . . 4766 1 153 . 1 1 18 18 ILE N N 15 125.64 0.03 . . . . . . . . . . 4766 1 154 . 1 1 19 19 ASP C C 13 175.49 0.00 . . . . . . . . . . 4766 1 155 . 1 1 19 19 ASP CA C 13 51.68 0.05 . . . . . . . . . . 4766 1 156 . 1 1 19 19 ASP CB C 13 42.41 0.00 . . . . . . . . . . 4766 1 157 . 1 1 19 19 ASP H H 1 8.23 0.01 . . . . . . . . . . 4766 1 158 . 1 1 19 19 ASP N N 15 129.28 0.03 . . . . . . . . . . 4766 1 159 . 1 1 20 20 PRO C C 13 177.27 0.00 . . . . . . . . . . 4766 1 160 . 1 1 20 20 PRO CA C 13 63.89 0.03 . . . . . . . . . . 4766 1 161 . 1 1 20 20 PRO CB C 13 31.86 0.00 . . . . . . . . . . 4766 1 162 . 1 1 20 20 PRO HA H 1 4.16 0.01 . . . . . . . . . . 4766 1 163 . 1 1 20 20 PRO HB2 H 1 2.16 0.00 . . . . . . . . . . 4766 1 164 . 1 1 20 20 PRO HB3 H 1 1.84 0.00 . . . . . . . . . . 4766 1 165 . 1 1 21 21 ASN C C 13 176.06 0.02 . . . . . . . . . . 4766 1 166 . 1 1 21 21 ASN CA C 13 54.80 0.08 . . . . . . . . . . 4766 1 167 . 1 1 21 21 ASN CB C 13 38.91 0.05 . . . . . . . . . . 4766 1 168 . 1 1 21 21 ASN H H 1 8.35 0.02 . . . . . . . . . . 4766 1 169 . 1 1 21 21 ASN HA H 1 4.57 0.01 . . . . . . . . . . 4766 1 170 . 1 1 21 21 ASN HB2 H 1 2.87 0.01 . . . . . . . . . . 4766 1 171 . 1 1 21 21 ASN HB3 H 1 2.76 0.01 . . . . . . . . . . 4766 1 172 . 1 1 21 21 ASN N N 15 117.50 0.02 . . . . . . . . . . 4766 1 173 . 1 1 22 22 THR C C 13 174.84 0.04 . . . . . . . . . . 4766 1 174 . 1 1 22 22 THR CA C 13 61.57 0.04 . . . . . . . . . . 4766 1 175 . 1 1 22 22 THR CB C 13 70.30 0.00 . . . . . . . . . . 4766 1 176 . 1 1 22 22 THR H H 1 7.86 0.00 . . . . . . . . . . 4766 1 177 . 1 1 22 22 THR HA H 1 4.25 0.01 . . . . . . . . . . 4766 1 178 . 1 1 22 22 THR HB H 1 4.11 0.00 . . . . . . . . . . 4766 1 179 . 1 1 22 22 THR HG21 H 1 1.31 0.00 . . . . . . . . . . 4766 1 180 . 1 1 22 22 THR HG22 H 1 1.31 0.00 . . . . . . . . . . 4766 1 181 . 1 1 22 22 THR HG23 H 1 1.31 0.00 . . . . . . . . . . 4766 1 182 . 1 1 22 22 THR N N 15 110.96 0.03 . . . . . . . . . . 4766 1 183 . 1 1 23 23 LYS C C 13 175.99 0.02 . . . . . . . . . . 4766 1 184 . 1 1 23 23 LYS CA C 13 57.45 0.05 . . . . . . . . . . 4766 1 185 . 1 1 23 23 LYS CB C 13 29.97 0.01 . . . . . . . . . . 4766 1 186 . 1 1 23 23 LYS H H 1 8.11 0.01 . . . . . . . . . . 4766 1 187 . 1 1 23 23 LYS HA H 1 3.77 0.00 . . . . . . . . . . 4766 1 188 . 1 1 23 23 LYS HB2 H 1 1.75 0.00 . . . . . . . . . . 4766 1 189 . 1 1 23 23 LYS N N 15 119.01 0.06 . . . . . . . . . . 4766 1 190 . 1 1 24 24 LYS C C 13 174.96 0.02 . . . . . . . . . . 4766 1 191 . 1 1 24 24 LYS CA C 13 56.17 0.06 . . . . . . . . . . 4766 1 192 . 1 1 24 24 LYS CB C 13 34.22 0.04 . . . . . . . . . . 4766 1 193 . 1 1 24 24 LYS H H 1 7.75 0.01 . . . . . . . . . . 4766 1 194 . 1 1 24 24 LYS HA H 1 4.14 0.01 . . . . . . . . . . 4766 1 195 . 1 1 24 24 LYS HB2 H 1 1.63 0.00 . . . . . . . . . . 4766 1 196 . 1 1 24 24 LYS HB3 H 1 1.45 0.00 . . . . . . . . . . 4766 1 197 . 1 1 24 24 LYS N N 15 117.18 0.08 . . . . . . . . . . 4766 1 198 . 1 1 25 25 ASN C C 13 173.29 0.05 . . . . . . . . . . 4766 1 199 . 1 1 25 25 ASN CA C 13 52.15 0.04 . . . . . . . . . . 4766 1 200 . 1 1 25 25 ASN CB C 13 40.47 0.11 . . . . . . . . . . 4766 1 201 . 1 1 25 25 ASN H H 1 7.28 0.02 . . . . . . . . . . 4766 1 202 . 1 1 25 25 ASN HA H 1 4.62 0.02 . . . . . . . . . . 4766 1 203 . 1 1 25 25 ASN HB2 H 1 2.66 0.02 . . . . . . . . . . 4766 1 204 . 1 1 25 25 ASN HB3 H 1 2.52 0.03 . . . . . . . . . . 4766 1 205 . 1 1 25 25 ASN N N 15 116.95 0.15 . . . . . . . . . . 4766 1 206 . 1 1 26 26 TRP C C 13 176.47 0.00 . . . . . . . . . . 4766 1 207 . 1 1 26 26 TRP CA C 13 56.74 0.04 . . . . . . . . . . 4766 1 208 . 1 1 26 26 TRP CB C 13 31.00 0.12 . . . . . . . . . . 4766 1 209 . 1 1 26 26 TRP H H 1 8.42 0.02 . . . . . . . . . . 4766 1 210 . 1 1 26 26 TRP HA H 1 4.59 0.01 . . . . . . . . . . 4766 1 211 . 1 1 26 26 TRP HB2 H 1 2.84 0.00 . . . . . . . . . . 4766 1 212 . 1 1 26 26 TRP HB3 H 1 2.71 0.00 . . . . . . . . . . 4766 1 213 . 1 1 26 26 TRP N N 15 123.28 0.04 . . . . . . . . . . 4766 1 214 . 1 1 27 27 VAL C C 13 174.48 0.00 . . . . . . . . . . 4766 1 215 . 1 1 27 27 VAL CA C 13 58.78 0.00 . . . . . . . . . . 4766 1 216 . 1 1 27 27 VAL H H 1 9.49 0.01 . . . . . . . . . . 4766 1 217 . 1 1 27 27 VAL N N 15 126.11 0.13 . . . . . . . . . . 4766 1 218 . 1 1 28 28 PRO C C 13 177.55 0.02 . . . . . . . . . . 4766 1 219 . 1 1 28 28 PRO CA C 13 62.93 0.12 . . . . . . . . . . 4766 1 220 . 1 1 28 28 PRO CB C 13 31.73 0.00 . . . . . . . . . . 4766 1 221 . 1 1 28 28 PRO HA H 1 4.35 0.01 . . . . . . . . . . 4766 1 222 . 1 1 28 28 PRO HB2 H 1 2.21 0.00 . . . . . . . . . . 4766 1 223 . 1 1 28 28 PRO HB3 H 1 1.82 0.04 . . . . . . . . . . 4766 1 224 . 1 1 28 28 PRO HD2 H 1 3.81 0.00 . . . . . . . . . . 4766 1 225 . 1 1 28 28 PRO HD3 H 1 3.63 0.00 . . . . . . . . . . 4766 1 226 . 1 1 28 28 PRO HG2 H 1 2.03 0.00 . . . . . . . . . . 4766 1 227 . 1 1 28 28 PRO HG3 H 1 1.91 0.00 . . . . . . . . . . 4766 1 228 . 1 1 29 29 THR C C 13 174.81 0.02 . . . . . . . . . . 4766 1 229 . 1 1 29 29 THR CA C 13 62.45 0.13 . . . . . . . . . . 4766 1 230 . 1 1 29 29 THR CB C 13 68.58 0.02 . . . . . . . . . . 4766 1 231 . 1 1 29 29 THR H H 1 8.84 0.01 . . . . . . . . . . 4766 1 232 . 1 1 29 29 THR HA H 1 4.29 0.01 . . . . . . . . . . 4766 1 233 . 1 1 29 29 THR HB H 1 3.94 0.01 . . . . . . . . . . 4766 1 234 . 1 1 29 29 THR HG21 H 1 1.17 0.00 . . . . . . . . . . 4766 1 235 . 1 1 29 29 THR HG22 H 1 1.17 0.00 . . . . . . . . . . 4766 1 236 . 1 1 29 29 THR HG23 H 1 1.17 0.00 . . . . . . . . . . 4766 1 237 . 1 1 29 29 THR N N 15 120.05 0.06 . . . . . . . . . . 4766 1 238 . 1 1 30 30 SER C C 13 173.97 0.00 . . . . . . . . . . 4766 1 239 . 1 1 30 30 SER CA C 13 56.77 0.07 . . . . . . . . . . 4766 1 240 . 1 1 30 30 SER CB C 13 65.52 0.00 . . . . . . . . . . 4766 1 241 . 1 1 30 30 SER H H 1 7.32 0.01 . . . . . . . . . . 4766 1 242 . 1 1 30 30 SER N N 15 115.62 0.02 . . . . . . . . . . 4766 1 243 . 1 1 33 33 ALA C C 13 176.94 0.02 . . . . . . . . . . 4766 1 244 . 1 1 33 33 ALA CA C 13 52.58 0.12 . . . . . . . . . . 4766 1 245 . 1 1 33 33 ALA CB C 13 17.70 0.00 . . . . . . . . . . 4766 1 246 . 1 1 33 33 ALA HA H 1 3.44 0.01 . . . . . . . . . . 4766 1 247 . 1 1 33 33 ALA HB1 H 1 0.88 0.05 . . . . . . . . . . 4766 1 248 . 1 1 33 33 ALA HB2 H 1 0.88 0.05 . . . . . . . . . . 4766 1 249 . 1 1 33 33 ALA HB3 H 1 0.88 0.05 . . . . . . . . . . 4766 1 250 . 1 1 34 34 VAL C C 13 175.24 0.01 . . . . . . . . . . 4766 1 251 . 1 1 34 34 VAL CA C 13 58.95 0.03 . . . . . . . . . . 4766 1 252 . 1 1 34 34 VAL CB C 13 35.39 0.03 . . . . . . . . . . 4766 1 253 . 1 1 34 34 VAL H H 1 8.33 0.02 . . . . . . . . . . 4766 1 254 . 1 1 34 34 VAL HA H 1 4.54 0.01 . . . . . . . . . . 4766 1 255 . 1 1 34 34 VAL HB H 1 2.18 0.04 . . . . . . . . . . 4766 1 256 . 1 1 34 34 VAL HG11 H 1 1.31 0.00 . . . . . . . . . . 4766 1 257 . 1 1 34 34 VAL HG12 H 1 1.31 0.00 . . . . . . . . . . 4766 1 258 . 1 1 34 34 VAL HG13 H 1 1.31 0.00 . . . . . . . . . . 4766 1 259 . 1 1 34 34 VAL HG21 H 1 0.67 0.00 . . . . . . . . . . 4766 1 260 . 1 1 34 34 VAL HG22 H 1 0.67 0.00 . . . . . . . . . . 4766 1 261 . 1 1 34 34 VAL HG23 H 1 0.67 0.00 . . . . . . . . . . 4766 1 262 . 1 1 34 34 VAL N N 15 117.89 0.09 . . . . . . . . . . 4766 1 263 . 1 1 35 35 THR C C 13 175.38 0.04 . . . . . . . . . . 4766 1 264 . 1 1 35 35 THR CA C 13 63.58 0.05 . . . . . . . . . . 4766 1 265 . 1 1 35 35 THR CB C 13 68.62 0.04 . . . . . . . . . . 4766 1 266 . 1 1 35 35 THR H H 1 8.64 0.02 . . . . . . . . . . 4766 1 267 . 1 1 35 35 THR HA H 1 4.63 0.00 . . . . . . . . . . 4766 1 268 . 1 1 35 35 THR HB H 1 4.04 0.03 . . . . . . . . . . 4766 1 269 . 1 1 35 35 THR HG21 H 1 1.19 0.00 . . . . . . . . . . 4766 1 270 . 1 1 35 35 THR HG22 H 1 1.19 0.00 . . . . . . . . . . 4766 1 271 . 1 1 35 35 THR HG23 H 1 1.19 0.00 . . . . . . . . . . 4766 1 272 . 1 1 35 35 THR N N 15 118.96 0.02 . . . . . . . . . . 4766 1 273 . 1 1 36 36 VAL C C 13 174.62 0.03 . . . . . . . . . . 4766 1 274 . 1 1 36 36 VAL CA C 13 62.06 0.07 . . . . . . . . . . 4766 1 275 . 1 1 36 36 VAL CB C 13 33.48 0.04 . . . . . . . . . . 4766 1 276 . 1 1 36 36 VAL H H 1 9.15 0.01 . . . . . . . . . . 4766 1 277 . 1 1 36 36 VAL HA H 1 4.26 0.02 . . . . . . . . . . 4766 1 278 . 1 1 36 36 VAL HB H 1 1.69 0.01 . . . . . . . . . . 4766 1 279 . 1 1 36 36 VAL HG11 H 1 0.91 0.00 . . . . . . . . . . 4766 1 280 . 1 1 36 36 VAL HG12 H 1 0.91 0.00 . . . . . . . . . . 4766 1 281 . 1 1 36 36 VAL HG13 H 1 0.91 0.00 . . . . . . . . . . 4766 1 282 . 1 1 36 36 VAL HG21 H 1 0.69 0.01 . . . . . . . . . . 4766 1 283 . 1 1 36 36 VAL HG22 H 1 0.69 0.01 . . . . . . . . . . 4766 1 284 . 1 1 36 36 VAL HG23 H 1 0.69 0.01 . . . . . . . . . . 4766 1 285 . 1 1 36 36 VAL N N 15 134.13 0.03 . . . . . . . . . . 4766 1 286 . 1 1 37 37 SER C C 13 172.40 0.06 . . . . . . . . . . 4766 1 287 . 1 1 37 37 SER CA C 13 57.05 0.04 . . . . . . . . . . 4766 1 288 . 1 1 37 37 SER CB C 13 67.16 0.01 . . . . . . . . . . 4766 1 289 . 1 1 37 37 SER H H 1 8.53 0.01 . . . . . . . . . . 4766 1 290 . 1 1 37 37 SER HA H 1 5.66 0.01 . . . . . . . . . . 4766 1 291 . 1 1 37 37 SER HB2 H 1 3.58 0.00 . . . . . . . . . . 4766 1 292 . 1 1 37 37 SER HB3 H 1 3.51 0.01 . . . . . . . . . . 4766 1 293 . 1 1 37 37 SER N N 15 122.36 0.04 . . . . . . . . . . 4766 1 294 . 1 1 38 38 TYR C C 13 175.59 0.00 . . . . . . . . . . 4766 1 295 . 1 1 38 38 TYR CA C 13 56.61 0.04 . . . . . . . . . . 4766 1 296 . 1 1 38 38 TYR CB C 13 41.46 0.00 . . . . . . . . . . 4766 1 297 . 1 1 38 38 TYR H H 1 8.62 0.01 . . . . . . . . . . 4766 1 298 . 1 1 38 38 TYR HA H 1 5.53 0.01 . . . . . . . . . . 4766 1 299 . 1 1 38 38 TYR HB2 H 1 2.66 0.00 . . . . . . . . . . 4766 1 300 . 1 1 38 38 TYR HB3 H 1 2.46 0.02 . . . . . . . . . . 4766 1 301 . 1 1 38 38 TYR N N 15 120.62 0.03 . . . . . . . . . . 4766 1 302 . 1 1 39 39 PHE C C 13 174.18 0.04 . . . . . . . . . . 4766 1 303 . 1 1 39 39 PHE CA C 13 56.74 0.03 . . . . . . . . . . 4766 1 304 . 1 1 39 39 PHE CB C 13 43.63 0.00 . . . . . . . . . . 4766 1 305 . 1 1 39 39 PHE H H 1 9.51 0.01 . . . . . . . . . . 4766 1 306 . 1 1 39 39 PHE HA H 1 4.79 0.01 . . . . . . . . . . 4766 1 307 . 1 1 39 39 PHE HB2 H 1 2.94 0.00 . . . . . . . . . . 4766 1 308 . 1 1 39 39 PHE HB3 H 1 2.49 0.03 . . . . . . . . . . 4766 1 309 . 1 1 39 39 PHE N N 15 122.08 0.06 . . . . . . . . . . 4766 1 310 . 1 1 40 40 TYR C C 13 173.73 0.04 . . . . . . . . . . 4766 1 311 . 1 1 40 40 TYR CA C 13 55.86 0.05 . . . . . . . . . . 4766 1 312 . 1 1 40 40 TYR CB C 13 40.00 0.06 . . . . . . . . . . 4766 1 313 . 1 1 40 40 TYR H H 1 8.96 0.01 . . . . . . . . . . 4766 1 314 . 1 1 40 40 TYR HA H 1 4.56 0.01 . . . . . . . . . . 4766 1 315 . 1 1 40 40 TYR HB2 H 1 2.63 0.03 . . . . . . . . . . 4766 1 316 . 1 1 40 40 TYR HB3 H 1 2.52 0.02 . . . . . . . . . . 4766 1 317 . 1 1 40 40 TYR N N 15 122.97 0.02 . . . . . . . . . . 4766 1 318 . 1 1 41 41 ASP C C 13 175.82 0.00 . . . . . . . . . . 4766 1 319 . 1 1 41 41 ASP CA C 13 51.43 0.02 . . . . . . . . . . 4766 1 320 . 1 1 41 41 ASP CB C 13 41.53 0.00 . . . . . . . . . . 4766 1 321 . 1 1 41 41 ASP H H 1 8.23 0.01 . . . . . . . . . . 4766 1 322 . 1 1 41 41 ASP N N 15 130.15 0.03 . . . . . . . . . . 4766 1 323 . 1 1 42 42 SER C C 13 175.59 0.01 . . . . . . . . . . 4766 1 324 . 1 1 42 42 SER CA C 13 59.80 0.02 . . . . . . . . . . 4766 1 325 . 1 1 42 42 SER CB C 13 62.91 0.00 . . . . . . . . . . 4766 1 326 . 1 1 42 42 SER HA H 1 3.96 0.00 . . . . . . . . . . 4766 1 327 . 1 1 42 42 SER HB2 H 1 3.64 0.00 . . . . . . . . . . 4766 1 328 . 1 1 43 43 THR C C 13 175.82 0.02 . . . . . . . . . . 4766 1 329 . 1 1 43 43 THR CA C 13 64.90 0.07 . . . . . . . . . . 4766 1 330 . 1 1 43 43 THR CB C 13 68.21 0.03 . . . . . . . . . . 4766 1 331 . 1 1 43 43 THR H H 1 8.14 0.01 . . . . . . . . . . 4766 1 332 . 1 1 43 43 THR HA H 1 4.05 0.00 . . . . . . . . . . 4766 1 333 . 1 1 43 43 THR HB H 1 4.08 0.01 . . . . . . . . . . 4766 1 334 . 1 1 43 43 THR HG21 H 1 1.11 0.00 . . . . . . . . . . 4766 1 335 . 1 1 43 43 THR HG22 H 1 1.11 0.00 . . . . . . . . . . 4766 1 336 . 1 1 43 43 THR HG23 H 1 1.11 0.00 . . . . . . . . . . 4766 1 337 . 1 1 43 43 THR N N 15 119.44 0.07 . . . . . . . . . . 4766 1 338 . 1 1 44 44 ARG C C 13 175.27 0.01 . . . . . . . . . . 4766 1 339 . 1 1 44 44 ARG CA C 13 55.23 0.05 . . . . . . . . . . 4766 1 340 . 1 1 44 44 ARG CB C 13 31.84 0.04 . . . . . . . . . . 4766 1 341 . 1 1 44 44 ARG H H 1 7.10 0.02 . . . . . . . . . . 4766 1 342 . 1 1 44 44 ARG HA H 1 4.19 0.01 . . . . . . . . . . 4766 1 343 . 1 1 44 44 ARG HB2 H 1 1.76 0.00 . . . . . . . . . . 4766 1 344 . 1 1 44 44 ARG HB3 H 1 1.19 0.00 . . . . . . . . . . 4766 1 345 . 1 1 44 44 ARG HD2 H 1 2.99 0.00 . . . . . . . . . . 4766 1 346 . 1 1 44 44 ARG HD3 H 1 2.87 0.00 . . . . . . . . . . 4766 1 347 . 1 1 44 44 ARG N N 15 120.38 0.04 . . . . . . . . . . 4766 1 348 . 1 1 45 45 ASN C C 13 173.69 0.04 . . . . . . . . . . 4766 1 349 . 1 1 45 45 ASN CA C 13 53.67 0.08 . . . . . . . . . . 4766 1 350 . 1 1 45 45 ASN CB C 13 36.40 0.02 . . . . . . . . . . 4766 1 351 . 1 1 45 45 ASN H H 1 7.87 0.01 . . . . . . . . . . 4766 1 352 . 1 1 45 45 ASN HA H 1 4.00 0.01 . . . . . . . . . . 4766 1 353 . 1 1 45 45 ASN HB2 H 1 3.21 0.01 . . . . . . . . . . 4766 1 354 . 1 1 45 45 ASN HB3 H 1 2.53 0.02 . . . . . . . . . . 4766 1 355 . 1 1 45 45 ASN N N 15 119.65 0.02 . . . . . . . . . . 4766 1 356 . 1 1 46 46 VAL C C 13 173.19 0.05 . . . . . . . . . . 4766 1 357 . 1 1 46 46 VAL CA C 13 58.78 0.07 . . . . . . . . . . 4766 1 358 . 1 1 46 46 VAL CB C 13 35.97 0.13 . . . . . . . . . . 4766 1 359 . 1 1 46 46 VAL H H 1 6.84 0.01 . . . . . . . . . . 4766 1 360 . 1 1 46 46 VAL HA H 1 4.60 0.01 . . . . . . . . . . 4766 1 361 . 1 1 46 46 VAL HB H 1 1.99 0.04 . . . . . . . . . . 4766 1 362 . 1 1 46 46 VAL HG11 H 1 0.79 0.00 . . . . . . . . . . 4766 1 363 . 1 1 46 46 VAL HG12 H 1 0.79 0.00 . . . . . . . . . . 4766 1 364 . 1 1 46 46 VAL HG13 H 1 0.79 0.00 . . . . . . . . . . 4766 1 365 . 1 1 46 46 VAL HG21 H 1 0.60 0.00 . . . . . . . . . . 4766 1 366 . 1 1 46 46 VAL HG22 H 1 0.60 0.00 . . . . . . . . . . 4766 1 367 . 1 1 46 46 VAL HG23 H 1 0.60 0.00 . . . . . . . . . . 4766 1 368 . 1 1 46 46 VAL N N 15 111.11 0.10 . . . . . . . . . . 4766 1 369 . 1 1 47 47 TYR C C 13 175.17 0.04 . . . . . . . . . . 4766 1 370 . 1 1 47 47 TYR CA C 13 57.45 0.05 . . . . . . . . . . 4766 1 371 . 1 1 47 47 TYR CB C 13 40.77 0.04 . . . . . . . . . . 4766 1 372 . 1 1 47 47 TYR H H 1 9.47 0.02 . . . . . . . . . . 4766 1 373 . 1 1 47 47 TYR HA H 1 5.10 0.02 . . . . . . . . . . 4766 1 374 . 1 1 47 47 TYR HB2 H 1 2.65 0.02 . . . . . . . . . . 4766 1 375 . 1 1 47 47 TYR HB3 H 1 2.36 0.00 . . . . . . . . . . 4766 1 376 . 1 1 47 47 TYR N N 15 123.83 0.06 . . . . . . . . . . 4766 1 377 . 1 1 48 48 ARG C C 13 174.90 0.01 . . . . . . . . . . 4766 1 378 . 1 1 48 48 ARG CA C 13 53.89 0.07 . . . . . . . . . . 4766 1 379 . 1 1 48 48 ARG CB C 13 34.93 0.06 . . . . . . . . . . 4766 1 380 . 1 1 48 48 ARG H H 1 9.07 0.01 . . . . . . . . . . 4766 1 381 . 1 1 48 48 ARG HA H 1 5.31 0.02 . . . . . . . . . . 4766 1 382 . 1 1 48 48 ARG HB2 H 1 1.61 0.00 . . . . . . . . . . 4766 1 383 . 1 1 48 48 ARG HB3 H 1 1.33 0.03 . . . . . . . . . . 4766 1 384 . 1 1 48 48 ARG N N 15 120.40 0.07 . . . . . . . . . . 4766 1 385 . 1 1 49 49 ILE C C 13 175.04 0.07 . . . . . . . . . . 4766 1 386 . 1 1 49 49 ILE CA C 13 60.29 0.10 . . . . . . . . . . 4766 1 387 . 1 1 49 49 ILE CB C 13 39.12 0.00 . . . . . . . . . . 4766 1 388 . 1 1 49 49 ILE H H 1 9.08 0.01 . . . . . . . . . . 4766 1 389 . 1 1 49 49 ILE HA H 1 4.66 0.02 . . . . . . . . . . 4766 1 390 . 1 1 49 49 ILE HB H 1 1.47 0.02 . . . . . . . . . . 4766 1 391 . 1 1 49 49 ILE HD11 H 1 0.15 0.00 . . . . . . . . . . 4766 1 392 . 1 1 49 49 ILE HD12 H 1 0.15 0.00 . . . . . . . . . . 4766 1 393 . 1 1 49 49 ILE HD13 H 1 0.15 0.00 . . . . . . . . . . 4766 1 394 . 1 1 49 49 ILE HG12 H 1 1.23 0.00 . . . . . . . . . . 4766 1 395 . 1 1 49 49 ILE HG21 H 1 0.56 0.00 . . . . . . . . . . 4766 1 396 . 1 1 49 49 ILE HG22 H 1 0.56 0.00 . . . . . . . . . . 4766 1 397 . 1 1 49 49 ILE HG23 H 1 0.56 0.00 . . . . . . . . . . 4766 1 398 . 1 1 49 49 ILE N N 15 124.16 0.04 . . . . . . . . . . 4766 1 399 . 1 1 50 50 ILE C C 13 175.82 0.01 . . . . . . . . . . 4766 1 400 . 1 1 50 50 ILE CA C 13 58.28 0.05 . . . . . . . . . . 4766 1 401 . 1 1 50 50 ILE CB C 13 38.48 0.00 . . . . . . . . . . 4766 1 402 . 1 1 50 50 ILE H H 1 9.00 0.01 . . . . . . . . . . 4766 1 403 . 1 1 50 50 ILE HA H 1 4.88 0.02 . . . . . . . . . . 4766 1 404 . 1 1 50 50 ILE HB H 1 1.63 0.03 . . . . . . . . . . 4766 1 405 . 1 1 50 50 ILE HD11 H 1 0.40 0.00 . . . . . . . . . . 4766 1 406 . 1 1 50 50 ILE HD12 H 1 0.40 0.00 . . . . . . . . . . 4766 1 407 . 1 1 50 50 ILE HD13 H 1 0.40 0.00 . . . . . . . . . . 4766 1 408 . 1 1 50 50 ILE HG12 H 1 1.28 0.00 . . . . . . . . . . 4766 1 409 . 1 1 50 50 ILE HG21 H 1 0.74 0.00 . . . . . . . . . . 4766 1 410 . 1 1 50 50 ILE HG22 H 1 0.74 0.00 . . . . . . . . . . 4766 1 411 . 1 1 50 50 ILE HG23 H 1 0.74 0.00 . . . . . . . . . . 4766 1 412 . 1 1 50 50 ILE N N 15 127.12 0.03 . . . . . . . . . . 4766 1 413 . 1 1 51 51 SER C C 13 173.41 0.06 . . . . . . . . . . 4766 1 414 . 1 1 51 51 SER CA C 13 57.55 0.05 . . . . . . . . . . 4766 1 415 . 1 1 51 51 SER CB C 13 65.99 0.04 . . . . . . . . . . 4766 1 416 . 1 1 51 51 SER H H 1 8.37 0.01 . . . . . . . . . . 4766 1 417 . 1 1 51 51 SER HA H 1 4.80 0.01 . . . . . . . . . . 4766 1 418 . 1 1 51 51 SER HB2 H 1 3.58 0.03 . . . . . . . . . . 4766 1 419 . 1 1 51 51 SER HB3 H 1 3.30 0.03 . . . . . . . . . . 4766 1 420 . 1 1 51 51 SER N N 15 123.11 0.05 . . . . . . . . . . 4766 1 421 . 1 1 52 52 LEU C C 13 175.59 0.01 . . . . . . . . . . 4766 1 422 . 1 1 52 52 LEU CA C 13 54.01 0.03 . . . . . . . . . . 4766 1 423 . 1 1 52 52 LEU CB C 13 44.36 0.02 . . . . . . . . . . 4766 1 424 . 1 1 52 52 LEU H H 1 9.00 0.01 . . . . . . . . . . 4766 1 425 . 1 1 52 52 LEU HA H 1 5.07 0.01 . . . . . . . . . . 4766 1 426 . 1 1 52 52 LEU HB2 H 1 1.60 0.01 . . . . . . . . . . 4766 1 427 . 1 1 52 52 LEU HB3 H 1 1.43 0.01 . . . . . . . . . . 4766 1 428 . 1 1 52 52 LEU HD11 H 1 0.79 0.00 . . . . . . . . . . 4766 1 429 . 1 1 52 52 LEU HD12 H 1 0.79 0.00 . . . . . . . . . . 4766 1 430 . 1 1 52 52 LEU HD13 H 1 0.79 0.00 . . . . . . . . . . 4766 1 431 . 1 1 52 52 LEU HD21 H 1 0.65 0.00 . . . . . . . . . . 4766 1 432 . 1 1 52 52 LEU HD22 H 1 0.65 0.00 . . . . . . . . . . 4766 1 433 . 1 1 52 52 LEU HD23 H 1 0.65 0.00 . . . . . . . . . . 4766 1 434 . 1 1 52 52 LEU N N 15 132.12 0.04 . . . . . . . . . . 4766 1 435 . 1 1 53 53 ASP C C 13 177.03 0.02 . . . . . . . . . . 4766 1 436 . 1 1 53 53 ASP CA C 13 52.46 0.05 . . . . . . . . . . 4766 1 437 . 1 1 53 53 ASP CB C 13 41.98 0.05 . . . . . . . . . . 4766 1 438 . 1 1 53 53 ASP H H 1 8.71 0.01 . . . . . . . . . . 4766 1 439 . 1 1 53 53 ASP HA H 1 4.80 0.02 . . . . . . . . . . 4766 1 440 . 1 1 53 53 ASP HB2 H 1 2.74 0.01 . . . . . . . . . . 4766 1 441 . 1 1 53 53 ASP HB3 H 1 2.32 0.04 . . . . . . . . . . 4766 1 442 . 1 1 53 53 ASP N N 15 122.48 0.02 . . . . . . . . . . 4766 1 443 . 1 1 54 54 GLY C C 13 174.73 0.01 . . . . . . . . . . 4766 1 444 . 1 1 54 54 GLY CA C 13 46.84 0.10 . . . . . . . . . . 4766 1 445 . 1 1 54 54 GLY H H 1 8.57 0.01 . . . . . . . . . . 4766 1 446 . 1 1 54 54 GLY HA2 H 1 4.04 0.01 . . . . . . . . . . 4766 1 447 . 1 1 54 54 GLY HA3 H 1 3.59 0.01 . . . . . . . . . . 4766 1 448 . 1 1 54 54 GLY N N 15 116.92 0.05 . . . . . . . . . . 4766 1 449 . 1 1 55 55 SER C C 13 173.68 0.07 . . . . . . . . . . 4766 1 450 . 1 1 55 55 SER CA C 13 58.25 0.05 . . . . . . . . . . 4766 1 451 . 1 1 55 55 SER CB C 13 63.56 0.09 . . . . . . . . . . 4766 1 452 . 1 1 55 55 SER H H 1 8.78 0.02 . . . . . . . . . . 4766 1 453 . 1 1 55 55 SER HA H 1 4.36 0.01 . . . . . . . . . . 4766 1 454 . 1 1 55 55 SER HB2 H 1 3.93 0.00 . . . . . . . . . . 4766 1 455 . 1 1 55 55 SER HB3 H 1 3.78 0.00 . . . . . . . . . . 4766 1 456 . 1 1 55 55 SER N N 15 122.34 0.01 . . . . . . . . . . 4766 1 457 . 1 1 56 56 LYS C C 13 174.99 0.03 . . . . . . . . . . 4766 1 458 . 1 1 56 56 LYS CA C 13 55.03 0.08 . . . . . . . . . . 4766 1 459 . 1 1 56 56 LYS CB C 13 34.11 0.06 . . . . . . . . . . 4766 1 460 . 1 1 56 56 LYS H H 1 7.70 0.00 . . . . . . . . . . 4766 1 461 . 1 1 56 56 LYS HA H 1 4.34 0.00 . . . . . . . . . . 4766 1 462 . 1 1 56 56 LYS HB2 H 1 1.84 0.00 . . . . . . . . . . 4766 1 463 . 1 1 56 56 LYS HB3 H 1 1.74 0.00 . . . . . . . . . . 4766 1 464 . 1 1 56 56 LYS N N 15 124.47 0.02 . . . . . . . . . . 4766 1 465 . 1 1 57 57 ALA C C 13 177.27 0.02 . . . . . . . . . . 4766 1 466 . 1 1 57 57 ALA CA C 13 51.89 0.03 . . . . . . . . . . 4766 1 467 . 1 1 57 57 ALA CB C 13 17.06 0.03 . . . . . . . . . . 4766 1 468 . 1 1 57 57 ALA H H 1 8.68 0.01 . . . . . . . . . . 4766 1 469 . 1 1 57 57 ALA HA H 1 4.71 0.01 . . . . . . . . . . 4766 1 470 . 1 1 57 57 ALA HB1 H 1 1.25 0.04 . . . . . . . . . . 4766 1 471 . 1 1 57 57 ALA HB2 H 1 1.25 0.04 . . . . . . . . . . 4766 1 472 . 1 1 57 57 ALA HB3 H 1 1.25 0.04 . . . . . . . . . . 4766 1 473 . 1 1 57 57 ALA N N 15 129.48 1.50 . . . . . . . . . . 4766 1 474 . 1 1 58 58 ILE C C 13 176.47 0.02 . . . . . . . . . . 4766 1 475 . 1 1 58 58 ILE CA C 13 62.29 0.06 . . . . . . . . . . 4766 1 476 . 1 1 58 58 ILE CB C 13 38.37 0.10 . . . . . . . . . . 4766 1 477 . 1 1 58 58 ILE H H 1 8.57 0.01 . . . . . . . . . . 4766 1 478 . 1 1 58 58 ILE HA H 1 4.26 0.01 . . . . . . . . . . 4766 1 479 . 1 1 58 58 ILE HB H 1 1.84 0.00 . . . . . . . . . . 4766 1 480 . 1 1 58 58 ILE N N 15 123.46 0.01 . . . . . . . . . . 4766 1 481 . 1 1 59 59 ILE C C 13 175.02 0.07 . . . . . . . . . . 4766 1 482 . 1 1 59 59 ILE CA C 13 62.31 0.09 . . . . . . . . . . 4766 1 483 . 1 1 59 59 ILE CB C 13 42.20 0.01 . . . . . . . . . . 4766 1 484 . 1 1 59 59 ILE H H 1 7.60 0.01 . . . . . . . . . . 4766 1 485 . 1 1 59 59 ILE HA H 1 4.24 0.01 . . . . . . . . . . 4766 1 486 . 1 1 59 59 ILE HB H 1 1.70 0.00 . . . . . . . . . . 4766 1 487 . 1 1 59 59 ILE N N 15 119.17 0.03 . . . . . . . . . . 4766 1 488 . 1 1 60 60 ASN C C 13 174.48 0.02 . . . . . . . . . . 4766 1 489 . 1 1 60 60 ASN CA C 13 53.01 0.10 . . . . . . . . . . 4766 1 490 . 1 1 60 60 ASN CB C 13 37.67 0.20 . . . . . . . . . . 4766 1 491 . 1 1 60 60 ASN H H 1 7.64 0.02 . . . . . . . . . . 4766 1 492 . 1 1 60 60 ASN HA H 1 5.05 0.02 . . . . . . . . . . 4766 1 493 . 1 1 60 60 ASN HB2 H 1 2.86 0.03 . . . . . . . . . . 4766 1 494 . 1 1 60 60 ASN HB3 H 1 2.43 0.02 . . . . . . . . . . 4766 1 495 . 1 1 60 60 ASN N N 15 125.75 0.06 . . . . . . . . . . 4766 1 496 . 1 1 61 61 SER C C 13 174.65 0.05 . . . . . . . . . . 4766 1 497 . 1 1 61 61 SER CA C 13 56.75 0.05 . . . . . . . . . . 4766 1 498 . 1 1 61 61 SER CB C 13 65.97 0.12 . . . . . . . . . . 4766 1 499 . 1 1 61 61 SER H H 1 8.98 0.01 . . . . . . . . . . 4766 1 500 . 1 1 61 61 SER HA H 1 5.09 0.02 . . . . . . . . . . 4766 1 501 . 1 1 61 61 SER HB2 H 1 3.89 0.03 . . . . . . . . . . 4766 1 502 . 1 1 61 61 SER HB3 H 1 3.82 0.02 . . . . . . . . . . 4766 1 503 . 1 1 61 61 SER N N 15 120.71 0.05 . . . . . . . . . . 4766 1 504 . 1 1 62 62 THR C C 13 173.82 0.03 . . . . . . . . . . 4766 1 505 . 1 1 62 62 THR CA C 13 63.06 0.05 . . . . . . . . . . 4766 1 506 . 1 1 62 62 THR CB C 13 69.36 0.12 . . . . . . . . . . 4766 1 507 . 1 1 62 62 THR H H 1 8.99 0.01 . . . . . . . . . . 4766 1 508 . 1 1 62 62 THR HA H 1 4.51 0.00 . . . . . . . . . . 4766 1 509 . 1 1 62 62 THR HB H 1 4.06 0.04 . . . . . . . . . . 4766 1 510 . 1 1 62 62 THR HG21 H 1 1.12 0.00 . . . . . . . . . . 4766 1 511 . 1 1 62 62 THR HG22 H 1 1.12 0.00 . . . . . . . . . . 4766 1 512 . 1 1 62 62 THR HG23 H 1 1.12 0.00 . . . . . . . . . . 4766 1 513 . 1 1 62 62 THR N N 15 127.99 0.02 . . . . . . . . . . 4766 1 514 . 1 1 63 63 ILE C C 13 176.01 0.02 . . . . . . . . . . 4766 1 515 . 1 1 63 63 ILE CA C 13 62.34 0.09 . . . . . . . . . . 4766 1 516 . 1 1 63 63 ILE CB C 13 37.16 0.00 . . . . . . . . . . 4766 1 517 . 1 1 63 63 ILE H H 1 8.58 0.02 . . . . . . . . . . 4766 1 518 . 1 1 63 63 ILE HA H 1 4.29 0.02 . . . . . . . . . . 4766 1 519 . 1 1 63 63 ILE HB H 1 1.65 0.03 . . . . . . . . . . 4766 1 520 . 1 1 63 63 ILE N N 15 128.66 0.04 . . . . . . . . . . 4766 1 521 . 1 1 64 64 THR C C 13 173.59 0.00 . . . . . . . . . . 4766 1 522 . 1 1 64 64 THR CA C 13 58.26 0.03 . . . . . . . . . . 4766 1 523 . 1 1 64 64 THR CB C 13 68.59 0.00 . . . . . . . . . . 4766 1 524 . 1 1 64 64 THR H H 1 7.92 0.01 . . . . . . . . . . 4766 1 525 . 1 1 64 64 THR N N 15 121.89 0.07 . . . . . . . . . . 4766 1 526 . 1 1 65 65 PRO C C 13 176.03 0.00 . . . . . . . . . . 4766 1 527 . 1 1 65 65 PRO CA C 13 64.56 0.03 . . . . . . . . . . 4766 1 528 . 1 1 65 65 PRO CB C 13 32.08 0.00 . . . . . . . . . . 4766 1 529 . 1 1 65 65 PRO HA H 1 4.34 0.01 . . . . . . . . . . 4766 1 530 . 1 1 65 65 PRO HB2 H 1 1.92 0.01 . . . . . . . . . . 4766 1 531 . 1 1 65 65 PRO HG2 H 1 2.09 0.00 . . . . . . . . . . 4766 1 532 . 1 1 66 66 ASN C C 13 175.45 0.02 . . . . . . . . . . 4766 1 533 . 1 1 66 66 ASN CA C 13 52.61 0.02 . . . . . . . . . . 4766 1 534 . 1 1 66 66 ASN CB C 13 38.41 0.05 . . . . . . . . . . 4766 1 535 . 1 1 66 66 ASN H H 1 7.89 0.01 . . . . . . . . . . 4766 1 536 . 1 1 66 66 ASN HA H 1 4.81 0.02 . . . . . . . . . . 4766 1 537 . 1 1 66 66 ASN HB2 H 1 2.91 0.01 . . . . . . . . . . 4766 1 538 . 1 1 66 66 ASN HB3 H 1 2.77 0.01 . . . . . . . . . . 4766 1 539 . 1 1 66 66 ASN N N 15 113.12 0.03 . . . . . . . . . . 4766 1 540 . 1 1 67 67 MET C C 13 175.46 0.01 . . . . . . . . . . 4766 1 541 . 1 1 67 67 MET CA C 13 56.99 0.07 . . . . . . . . . . 4766 1 542 . 1 1 67 67 MET CB C 13 36.09 0.02 . . . . . . . . . . 4766 1 543 . 1 1 67 67 MET H H 1 7.52 0.03 . . . . . . . . . . 4766 1 544 . 1 1 67 67 MET HA H 1 4.69 0.01 . . . . . . . . . . 4766 1 545 . 1 1 67 67 MET N N 15 123.14 0.02 . . . . . . . . . . 4766 1 546 . 1 1 68 68 THR C C 13 171.98 0.06 . . . . . . . . . . 4766 1 547 . 1 1 68 68 THR CA C 13 61.61 0.08 . . . . . . . . . . 4766 1 548 . 1 1 68 68 THR CB C 13 72.00 0.09 . . . . . . . . . . 4766 1 549 . 1 1 68 68 THR H H 1 8.70 0.02 . . . . . . . . . . 4766 1 550 . 1 1 68 68 THR HA H 1 4.55 0.01 . . . . . . . . . . 4766 1 551 . 1 1 68 68 THR HB H 1 3.91 0.01 . . . . . . . . . . 4766 1 552 . 1 1 68 68 THR N N 15 117.26 0.06 . . . . . . . . . . 4766 1 553 . 1 1 69 69 PHE C C 13 175.04 0.02 . . . . . . . . . . 4766 1 554 . 1 1 69 69 PHE CA C 13 56.43 0.08 . . . . . . . . . . 4766 1 555 . 1 1 69 69 PHE CB C 13 38.65 0.06 . . . . . . . . . . 4766 1 556 . 1 1 69 69 PHE H H 1 8.44 0.01 . . . . . . . . . . 4766 1 557 . 1 1 69 69 PHE HA H 1 4.87 0.02 . . . . . . . . . . 4766 1 558 . 1 1 69 69 PHE HB2 H 1 2.48 0.03 . . . . . . . . . . 4766 1 559 . 1 1 69 69 PHE N N 15 130.85 0.04 . . . . . . . . . . 4766 1 560 . 1 1 70 70 THR C C 13 173.16 0.04 . . . . . . . . . . 4766 1 561 . 1 1 70 70 THR CA C 13 60.70 0.07 . . . . . . . . . . 4766 1 562 . 1 1 70 70 THR CB C 13 70.51 0.03 . . . . . . . . . . 4766 1 563 . 1 1 70 70 THR H H 1 8.71 0.01 . . . . . . . . . . 4766 1 564 . 1 1 70 70 THR HA H 1 4.37 0.01 . . . . . . . . . . 4766 1 565 . 1 1 70 70 THR HB H 1 3.64 0.01 . . . . . . . . . . 4766 1 566 . 1 1 70 70 THR HG21 H 1 1.02 0.00 . . . . . . . . . . 4766 1 567 . 1 1 70 70 THR HG22 H 1 1.02 0.00 . . . . . . . . . . 4766 1 568 . 1 1 70 70 THR HG23 H 1 1.02 0.00 . . . . . . . . . . 4766 1 569 . 1 1 70 70 THR N N 15 126.30 0.04 . . . . . . . . . . 4766 1 570 . 1 1 71 71 LYS C C 13 176.02 0.02 . . . . . . . . . . 4766 1 571 . 1 1 71 71 LYS CA C 13 56.11 0.03 . . . . . . . . . . 4766 1 572 . 1 1 71 71 LYS CB C 13 32.04 0.01 . . . . . . . . . . 4766 1 573 . 1 1 71 71 LYS H H 1 8.71 0.01 . . . . . . . . . . 4766 1 574 . 1 1 71 71 LYS HA H 1 4.49 0.01 . . . . . . . . . . 4766 1 575 . 1 1 71 71 LYS HB2 H 1 1.82 0.01 . . . . . . . . . . 4766 1 576 . 1 1 71 71 LYS HG2 H 1 1.67 0.00 . . . . . . . . . . 4766 1 577 . 1 1 71 71 LYS N N 15 128.29 0.03 . . . . . . . . . . 4766 1 578 . 1 1 72 72 THR C C 13 174.31 0.05 . . . . . . . . . . 4766 1 579 . 1 1 72 72 THR CA C 13 63.13 0.05 . . . . . . . . . . 4766 1 580 . 1 1 72 72 THR CB C 13 69.05 0.00 . . . . . . . . . . 4766 1 581 . 1 1 72 72 THR H H 1 8.55 0.01 . . . . . . . . . . 4766 1 582 . 1 1 72 72 THR HA H 1 4.27 0.01 . . . . . . . . . . 4766 1 583 . 1 1 72 72 THR HB H 1 4.13 0.00 . . . . . . . . . . 4766 1 584 . 1 1 72 72 THR HG21 H 1 1.14 0.00 . . . . . . . . . . 4766 1 585 . 1 1 72 72 THR HG22 H 1 1.14 0.00 . . . . . . . . . . 4766 1 586 . 1 1 72 72 THR HG23 H 1 1.14 0.00 . . . . . . . . . . 4766 1 587 . 1 1 72 72 THR N N 15 121.91 0.06 . . . . . . . . . . 4766 1 588 . 1 1 73 73 SER C C 13 173.71 0.00 . . . . . . . . . . 4766 1 589 . 1 1 73 73 SER CA C 13 57.06 0.04 . . . . . . . . . . 4766 1 590 . 1 1 73 73 SER CB C 13 63.71 0.07 . . . . . . . . . . 4766 1 591 . 1 1 73 73 SER H H 1 8.43 0.01 . . . . . . . . . . 4766 1 592 . 1 1 73 73 SER HA H 1 4.51 0.03 . . . . . . . . . . 4766 1 593 . 1 1 73 73 SER HB2 H 1 4.06 0.00 . . . . . . . . . . 4766 1 594 . 1 1 73 73 SER HB3 H 1 3.85 0.02 . . . . . . . . . . 4766 1 595 . 1 1 73 73 SER N N 15 117.80 0.02 . . . . . . . . . . 4766 1 596 . 1 1 74 74 GLN C C 13 175.45 0.00 . . . . . . . . . . 4766 1 597 . 1 1 74 74 GLN CA C 13 59.33 0.00 . . . . . . . . . . 4766 1 598 . 1 1 74 74 GLN H H 1 8.39 0.01 . . . . . . . . . . 4766 1 599 . 1 1 74 74 GLN N N 15 118.62 0.02 . . . . . . . . . . 4766 1 600 . 1 1 75 75 LYS C C 13 174.12 0.08 . . . . . . . . . . 4766 1 601 . 1 1 75 75 LYS CA C 13 55.57 0.02 . . . . . . . . . . 4766 1 602 . 1 1 75 75 LYS CB C 13 33.48 0.00 . . . . . . . . . . 4766 1 603 . 1 1 75 75 LYS HA H 1 4.37 0.00 . . . . . . . . . . 4766 1 604 . 1 1 75 75 LYS HB2 H 1 2.11 0.00 . . . . . . . . . . 4766 1 605 . 1 1 75 75 LYS HB3 H 1 1.84 0.00 . . . . . . . . . . 4766 1 606 . 1 1 76 76 PHE C C 13 174.38 0.04 . . . . . . . . . . 4766 1 607 . 1 1 76 76 PHE CA C 13 56.21 0.05 . . . . . . . . . . 4766 1 608 . 1 1 76 76 PHE CB C 13 43.77 0.03 . . . . . . . . . . 4766 1 609 . 1 1 76 76 PHE H H 1 7.40 0.02 . . . . . . . . . . 4766 1 610 . 1 1 76 76 PHE HA H 1 4.36 0.00 . . . . . . . . . . 4766 1 611 . 1 1 76 76 PHE HB2 H 1 2.52 0.00 . . . . . . . . . . 4766 1 612 . 1 1 76 76 PHE N N 15 125.49 0.08 . . . . . . . . . . 4766 1 613 . 1 1 77 77 GLY C C 13 169.74 0.08 . . . . . . . . . . 4766 1 614 . 1 1 77 77 GLY CA C 13 45.31 0.08 . . . . . . . . . . 4766 1 615 . 1 1 77 77 GLY H H 1 7.97 0.01 . . . . . . . . . . 4766 1 616 . 1 1 77 77 GLY HA2 H 1 5.49 0.00 . . . . . . . . . . 4766 1 617 . 1 1 77 77 GLY HA3 H 1 4.79 0.02 . . . . . . . . . . 4766 1 618 . 1 1 77 77 GLY N N 15 114.15 0.02 . . . . . . . . . . 4766 1 619 . 1 1 78 78 GLN C C 13 173.80 0.02 . . . . . . . . . . 4766 1 620 . 1 1 78 78 GLN CA C 13 53.45 0.09 . . . . . . . . . . 4766 1 621 . 1 1 78 78 GLN CB C 13 35.20 0.02 . . . . . . . . . . 4766 1 622 . 1 1 78 78 GLN H H 1 7.96 0.10 . . . . . . . . . . 4766 1 623 . 1 1 78 78 GLN HA H 1 4.18 0.00 . . . . . . . . . . 4766 1 624 . 1 1 78 78 GLN HB2 H 1 1.89 0.00 . . . . . . . . . . 4766 1 625 . 1 1 78 78 GLN N N 15 115.67 1.99 . . . . . . . . . . 4766 1 626 . 1 1 79 79 TRP C C 13 171.95 0.05 . . . . . . . . . . 4766 1 627 . 1 1 79 79 TRP CA C 13 57.88 0.07 . . . . . . . . . . 4766 1 628 . 1 1 79 79 TRP CB C 13 34.42 0.00 . . . . . . . . . . 4766 1 629 . 1 1 79 79 TRP H H 1 8.95 0.02 . . . . . . . . . . 4766 1 630 . 1 1 79 79 TRP HA H 1 5.20 0.02 . . . . . . . . . . 4766 1 631 . 1 1 79 79 TRP HB2 H 1 3.31 0.03 . . . . . . . . . . 4766 1 632 . 1 1 79 79 TRP N N 15 121.05 0.04 . . . . . . . . . . 4766 1 633 . 1 1 80 80 ALA C C 13 177.25 0.00 . . . . . . . . . . 4766 1 634 . 1 1 80 80 ALA CA C 13 50.96 0.06 . . . . . . . . . . 4766 1 635 . 1 1 80 80 ALA CB C 13 20.34 0.07 . . . . . . . . . . 4766 1 636 . 1 1 80 80 ALA H H 1 8.56 0.01 . . . . . . . . . . 4766 1 637 . 1 1 80 80 ALA HA H 1 4.75 0.01 . . . . . . . . . . 4766 1 638 . 1 1 80 80 ALA HB1 H 1 1.45 0.02 . . . . . . . . . . 4766 1 639 . 1 1 80 80 ALA HB2 H 1 1.45 0.02 . . . . . . . . . . 4766 1 640 . 1 1 80 80 ALA HB3 H 1 1.45 0.02 . . . . . . . . . . 4766 1 641 . 1 1 80 80 ALA N N 15 124.27 0.14 . . . . . . . . . . 4766 1 642 . 1 1 81 81 ASP CA C 13 52.59 0.00 . . . . . . . . . . 4766 1 643 . 1 1 81 81 ASP CB C 13 43.68 0.00 . . . . . . . . . . 4766 1 644 . 1 1 81 81 ASP H H 1 8.46 0.01 . . . . . . . . . . 4766 1 645 . 1 1 81 81 ASP N N 15 123.73 0.07 . . . . . . . . . . 4766 1 646 . 1 1 82 82 SER C C 13 176.61 0.01 . . . . . . . . . . 4766 1 647 . 1 1 82 82 SER CA C 13 60.86 0.06 . . . . . . . . . . 4766 1 648 . 1 1 82 82 SER CB C 13 62.90 0.00 . . . . . . . . . . 4766 1 649 . 1 1 82 82 SER HA H 1 4.33 0.01 . . . . . . . . . . 4766 1 650 . 1 1 82 82 SER HB2 H 1 3.95 0.02 . . . . . . . . . . 4766 1 651 . 1 1 83 83 ARG C C 13 177.78 0.02 . . . . . . . . . . 4766 1 652 . 1 1 83 83 ARG CA C 13 58.41 0.05 . . . . . . . . . . 4766 1 653 . 1 1 83 83 ARG CB C 13 29.49 0.03 . . . . . . . . . . 4766 1 654 . 1 1 83 83 ARG H H 1 8.38 0.01 . . . . . . . . . . 4766 1 655 . 1 1 83 83 ARG HA H 1 4.08 0.01 . . . . . . . . . . 4766 1 656 . 1 1 83 83 ARG HB2 H 1 2.22 0.00 . . . . . . . . . . 4766 1 657 . 1 1 83 83 ARG HB3 H 1 1.36 0.00 . . . . . . . . . . 4766 1 658 . 1 1 83 83 ARG N N 15 125.53 0.08 . . . . . . . . . . 4766 1 659 . 1 1 84 84 ALA C C 13 176.91 0.00 . . . . . . . . . . 4766 1 660 . 1 1 84 84 ALA CA C 13 51.52 0.06 . . . . . . . . . . 4766 1 661 . 1 1 84 84 ALA CB C 13 19.41 0.02 . . . . . . . . . . 4766 1 662 . 1 1 84 84 ALA H H 1 7.88 0.01 . . . . . . . . . . 4766 1 663 . 1 1 84 84 ALA HA H 1 4.26 0.00 . . . . . . . . . . 4766 1 664 . 1 1 84 84 ALA HB1 H 1 1.34 0.00 . . . . . . . . . . 4766 1 665 . 1 1 84 84 ALA HB2 H 1 1.34 0.00 . . . . . . . . . . 4766 1 666 . 1 1 84 84 ALA HB3 H 1 1.34 0.00 . . . . . . . . . . 4766 1 667 . 1 1 84 84 ALA N N 15 122.13 0.02 . . . . . . . . . . 4766 1 668 . 1 1 85 85 ASN C C 13 173.74 0.06 . . . . . . . . . . 4766 1 669 . 1 1 85 85 ASN CA C 13 53.29 0.07 . . . . . . . . . . 4766 1 670 . 1 1 85 85 ASN CB C 13 37.01 0.01 . . . . . . . . . . 4766 1 671 . 1 1 85 85 ASN H H 1 7.91 0.01 . . . . . . . . . . 4766 1 672 . 1 1 85 85 ASN HA H 1 4.28 0.01 . . . . . . . . . . 4766 1 673 . 1 1 85 85 ASN HB2 H 1 3.11 0.01 . . . . . . . . . . 4766 1 674 . 1 1 85 85 ASN HB3 H 1 2.49 0.02 . . . . . . . . . . 4766 1 675 . 1 1 85 85 ASN N N 15 118.29 0.05 . . . . . . . . . . 4766 1 676 . 1 1 86 86 THR C C 13 172.09 0.07 . . . . . . . . . . 4766 1 677 . 1 1 86 86 THR CA C 13 60.12 0.04 . . . . . . . . . . 4766 1 678 . 1 1 86 86 THR CB C 13 69.94 0.01 . . . . . . . . . . 4766 1 679 . 1 1 86 86 THR H H 1 7.64 0.01 . . . . . . . . . . 4766 1 680 . 1 1 86 86 THR HA H 1 4.40 0.01 . . . . . . . . . . 4766 1 681 . 1 1 86 86 THR HB H 1 3.58 0.01 . . . . . . . . . . 4766 1 682 . 1 1 86 86 THR HG21 H 1 0.26 0.00 . . . . . . . . . . 4766 1 683 . 1 1 86 86 THR HG22 H 1 0.26 0.00 . . . . . . . . . . 4766 1 684 . 1 1 86 86 THR HG23 H 1 0.26 0.00 . . . . . . . . . . 4766 1 685 . 1 1 86 86 THR N N 15 111.80 0.02 . . . . . . . . . . 4766 1 686 . 1 1 87 87 VAL C C 13 174.57 0.02 . . . . . . . . . . 4766 1 687 . 1 1 87 87 VAL CA C 13 61.33 0.06 . . . . . . . . . . 4766 1 688 . 1 1 87 87 VAL CB C 13 33.89 0.09 . . . . . . . . . . 4766 1 689 . 1 1 87 87 VAL H H 1 7.79 0.01 . . . . . . . . . . 4766 1 690 . 1 1 87 87 VAL HA H 1 4.26 0.01 . . . . . . . . . . 4766 1 691 . 1 1 87 87 VAL HB H 1 1.54 0.02 . . . . . . . . . . 4766 1 692 . 1 1 87 87 VAL HG11 H 1 1.14 0.00 . . . . . . . . . . 4766 1 693 . 1 1 87 87 VAL HG12 H 1 1.14 0.00 . . . . . . . . . . 4766 1 694 . 1 1 87 87 VAL HG13 H 1 1.14 0.00 . . . . . . . . . . 4766 1 695 . 1 1 87 87 VAL N N 15 126.22 0.05 . . . . . . . . . . 4766 1 696 . 1 1 88 88 TYR C C 13 174.30 0.05 . . . . . . . . . . 4766 1 697 . 1 1 88 88 TYR CA C 13 57.33 0.05 . . . . . . . . . . 4766 1 698 . 1 1 88 88 TYR CB C 13 39.83 0.00 . . . . . . . . . . 4766 1 699 . 1 1 88 88 TYR H H 1 8.26 0.01 . . . . . . . . . . 4766 1 700 . 1 1 88 88 TYR HA H 1 4.86 0.02 . . . . . . . . . . 4766 1 701 . 1 1 88 88 TYR HB2 H 1 1.98 0.02 . . . . . . . . . . 4766 1 702 . 1 1 88 88 TYR N N 15 127.04 0.06 . . . . . . . . . . 4766 1 703 . 1 1 89 89 GLY C C 13 171.04 0.01 . . . . . . . . . . 4766 1 704 . 1 1 89 89 GLY CA C 13 44.05 0.04 . . . . . . . . . . 4766 1 705 . 1 1 89 89 GLY H H 1 8.64 0.01 . . . . . . . . . . 4766 1 706 . 1 1 89 89 GLY HA2 H 1 4.54 0.02 . . . . . . . . . . 4766 1 707 . 1 1 89 89 GLY N N 15 109.61 0.02 . . . . . . . . . . 4766 1 708 . 1 1 90 90 LEU C C 13 173.82 0.03 . . . . . . . . . . 4766 1 709 . 1 1 90 90 LEU CA C 13 52.14 0.04 . . . . . . . . . . 4766 1 710 . 1 1 90 90 LEU CB C 13 46.17 0.00 . . . . . . . . . . 4766 1 711 . 1 1 90 90 LEU H H 1 8.28 0.02 . . . . . . . . . . 4766 1 712 . 1 1 90 90 LEU HA H 1 5.12 0.02 . . . . . . . . . . 4766 1 713 . 1 1 90 90 LEU HB2 H 1 3.02 0.00 . . . . . . . . . . 4766 1 714 . 1 1 90 90 LEU HB3 H 1 2.54 0.00 . . . . . . . . . . 4766 1 715 . 1 1 90 90 LEU HD11 H 1 0.52 0.21 . . . . . . . . . . 4766 1 716 . 1 1 90 90 LEU HD12 H 1 0.52 0.21 . . . . . . . . . . 4766 1 717 . 1 1 90 90 LEU HD13 H 1 0.52 0.21 . . . . . . . . . . 4766 1 718 . 1 1 90 90 LEU HG H 1 1.24 0.00 . . . . . . . . . . 4766 1 719 . 1 1 90 90 LEU N N 15 123.76 0.06 . . . . . . . . . . 4766 1 720 . 1 1 91 91 GLY C C 13 174.30 0.05 . . . . . . . . . . 4766 1 721 . 1 1 91 91 GLY CA C 13 44.65 0.05 . . . . . . . . . . 4766 1 722 . 1 1 91 91 GLY H H 1 9.05 0.01 . . . . . . . . . . 4766 1 723 . 1 1 91 91 GLY HA2 H 1 4.94 0.02 . . . . . . . . . . 4766 1 724 . 1 1 91 91 GLY HA3 H 1 3.59 0.01 . . . . . . . . . . 4766 1 725 . 1 1 91 91 GLY N N 15 107.92 0.03 . . . . . . . . . . 4766 1 726 . 1 1 92 92 PHE C C 13 176.15 0.00 . . . . . . . . . . 4766 1 727 . 1 1 92 92 PHE CA C 13 57.68 0.00 . . . . . . . . . . 4766 1 728 . 1 1 92 92 PHE CB C 13 42.32 0.00 . . . . . . . . . . 4766 1 729 . 1 1 92 92 PHE H H 1 9.25 0.01 . . . . . . . . . . 4766 1 730 . 1 1 92 92 PHE N N 15 126.13 0.02 . . . . . . . . . . 4766 1 731 . 1 1 96 96 HIS C C 13 177.73 0.06 . . . . . . . . . . 4766 1 732 . 1 1 96 96 HIS CA C 13 59.00 0.05 . . . . . . . . . . 4766 1 733 . 1 1 96 96 HIS CB C 13 29.63 0.00 . . . . . . . . . . 4766 1 734 . 1 1 96 96 HIS H H 1 7.44 0.00 . . . . . . . . . . 4766 1 735 . 1 1 96 96 HIS HA H 1 4.30 0.02 . . . . . . . . . . 4766 1 736 . 1 1 96 96 HIS HB2 H 1 3.02 0.01 . . . . . . . . . . 4766 1 737 . 1 1 96 96 HIS HB3 H 1 2.91 0.02 . . . . . . . . . . 4766 1 738 . 1 1 96 96 HIS N N 15 116.30 0.01 . . . . . . . . . . 4766 1 739 . 1 1 97 97 HIS C C 13 178.42 0.03 . . . . . . . . . . 4766 1 740 . 1 1 97 97 HIS CA C 13 59.20 0.06 . . . . . . . . . . 4766 1 741 . 1 1 97 97 HIS CB C 13 31.64 0.00 . . . . . . . . . . 4766 1 742 . 1 1 97 97 HIS H H 1 7.50 0.01 . . . . . . . . . . 4766 1 743 . 1 1 97 97 HIS HA H 1 4.29 0.01 . . . . . . . . . . 4766 1 744 . 1 1 97 97 HIS HB2 H 1 3.39 0.00 . . . . . . . . . . 4766 1 745 . 1 1 97 97 HIS HB3 H 1 3.20 0.00 . . . . . . . . . . 4766 1 746 . 1 1 97 97 HIS N N 15 119.68 0.04 . . . . . . . . . . 4766 1 747 . 1 1 98 98 LEU C C 13 177.86 0.03 . . . . . . . . . . 4766 1 748 . 1 1 98 98 LEU CA C 13 57.99 0.05 . . . . . . . . . . 4766 1 749 . 1 1 98 98 LEU CB C 13 40.56 0.26 . . . . . . . . . . 4766 1 750 . 1 1 98 98 LEU H H 1 7.00 0.01 . . . . . . . . . . 4766 1 751 . 1 1 98 98 LEU HA H 1 4.13 0.01 . . . . . . . . . . 4766 1 752 . 1 1 98 98 LEU HB2 H 1 2.49 0.00 . . . . . . . . . . 4766 1 753 . 1 1 98 98 LEU N N 15 123.69 0.04 . . . . . . . . . . 4766 1 754 . 1 1 99 99 SER C C 13 177.05 0.01 . . . . . . . . . . 4766 1 755 . 1 1 99 99 SER CA C 13 62.04 0.16 . . . . . . . . . . 4766 1 756 . 1 1 99 99 SER CB C 13 56.26 0.00 . . . . . . . . . . 4766 1 757 . 1 1 99 99 SER H H 1 8.36 0.01 . . . . . . . . . . 4766 1 758 . 1 1 99 99 SER HA H 1 3.87 0.00 . . . . . . . . . . 4766 1 759 . 1 1 99 99 SER N N 15 116.32 0.04 . . . . . . . . . . 4766 1 760 . 1 1 100 100 LYS C C 13 178.22 0.04 . . . . . . . . . . 4766 1 761 . 1 1 100 100 LYS CA C 13 57.56 0.04 . . . . . . . . . . 4766 1 762 . 1 1 100 100 LYS CB C 13 30.99 0.13 . . . . . . . . . . 4766 1 763 . 1 1 100 100 LYS H H 1 7.90 0.01 . . . . . . . . . . 4766 1 764 . 1 1 100 100 LYS HA H 1 3.88 0.02 . . . . . . . . . . 4766 1 765 . 1 1 100 100 LYS HB2 H 1 1.80 0.01 . . . . . . . . . . 4766 1 766 . 1 1 100 100 LYS N N 15 122.41 0.07 . . . . . . . . . . 4766 1 767 . 1 1 101 101 PHE C C 13 177.89 0.02 . . . . . . . . . . 4766 1 768 . 1 1 101 101 PHE CA C 13 62.85 0.09 . . . . . . . . . . 4766 1 769 . 1 1 101 101 PHE H H 1 7.76 0.01 . . . . . . . . . . 4766 1 770 . 1 1 101 101 PHE HA H 1 4.43 0.00 . . . . . . . . . . 4766 1 771 . 1 1 101 101 PHE HB2 H 1 2.27 0.00 . . . . . . . . . . 4766 1 772 . 1 1 101 101 PHE HB3 H 1 1.89 0.00 . . . . . . . . . . 4766 1 773 . 1 1 101 101 PHE N N 15 121.64 0.03 . . . . . . . . . . 4766 1 774 . 1 1 102 102 ALA C C 13 179.52 0.03 . . . . . . . . . . 4766 1 775 . 1 1 102 102 ALA CA C 13 54.36 0.08 . . . . . . . . . . 4766 1 776 . 1 1 102 102 ALA CB C 13 18.49 0.03 . . . . . . . . . . 4766 1 777 . 1 1 102 102 ALA H H 1 8.44 0.02 . . . . . . . . . . 4766 1 778 . 1 1 102 102 ALA HA H 1 4.50 0.00 . . . . . . . . . . 4766 1 779 . 1 1 102 102 ALA HB1 H 1 1.44 0.00 . . . . . . . . . . 4766 1 780 . 1 1 102 102 ALA HB2 H 1 1.44 0.00 . . . . . . . . . . 4766 1 781 . 1 1 102 102 ALA HB3 H 1 1.44 0.00 . . . . . . . . . . 4766 1 782 . 1 1 102 102 ALA N N 15 123.29 0.02 . . . . . . . . . . 4766 1 783 . 1 1 103 103 GLU C C 13 176.99 5.01 . . . . . . . . . . 4766 1 784 . 1 1 103 103 GLU CA C 13 58.83 0.07 . . . . . . . . . . 4766 1 785 . 1 1 103 103 GLU CB C 13 29.49 0.02 . . . . . . . . . . 4766 1 786 . 1 1 103 103 GLU H H 1 7.98 0.01 . . . . . . . . . . 4766 1 787 . 1 1 103 103 GLU HA H 1 3.77 0.01 . . . . . . . . . . 4766 1 788 . 1 1 103 103 GLU HB2 H 1 1.93 0.01 . . . . . . . . . . 4766 1 789 . 1 1 103 103 GLU HB3 H 1 1.82 0.02 . . . . . . . . . . 4766 1 790 . 1 1 103 103 GLU HG2 H 1 2.23 0.00 . . . . . . . . . . 4766 1 791 . 1 1 103 103 GLU N N 15 121.58 0.05 . . . . . . . . . . 4766 1 792 . 1 1 104 104 LYS C C 13 175.60 0.01 . . . . . . . . . . 4766 1 793 . 1 1 104 104 LYS CA C 13 56.00 0.07 . . . . . . . . . . 4766 1 794 . 1 1 104 104 LYS CB C 13 29.58 0.00 . . . . . . . . . . 4766 1 795 . 1 1 104 104 LYS H H 1 7.04 0.02 . . . . . . . . . . 4766 1 796 . 1 1 104 104 LYS HA H 1 4.65 0.00 . . . . . . . . . . 4766 1 797 . 1 1 104 104 LYS N N 15 120.41 0.07 . . . . . . . . . . 4766 1 798 . 1 1 105 105 PHE C C 13 177.79 0.02 . . . . . . . . . . 4766 1 799 . 1 1 105 105 PHE CA C 13 61.55 0.05 . . . . . . . . . . 4766 1 800 . 1 1 105 105 PHE CB C 13 38.42 0.07 . . . . . . . . . . 4766 1 801 . 1 1 105 105 PHE H H 1 7.38 0.01 . . . . . . . . . . 4766 1 802 . 1 1 105 105 PHE HA H 1 4.81 0.02 . . . . . . . . . . 4766 1 803 . 1 1 105 105 PHE HB2 H 1 2.98 0.13 . . . . . . . . . . 4766 1 804 . 1 1 105 105 PHE HB3 H 1 2.83 0.09 . . . . . . . . . . 4766 1 805 . 1 1 105 105 PHE N N 15 122.78 0.02 . . . . . . . . . . 4766 1 806 . 1 1 106 106 GLN C C 13 177.93 0.01 . . . . . . . . . . 4766 1 807 . 1 1 106 106 GLN CA C 13 58.23 0.03 . . . . . . . . . . 4766 1 808 . 1 1 106 106 GLN CB C 13 27.82 0.01 . . . . . . . . . . 4766 1 809 . 1 1 106 106 GLN H H 1 7.47 0.01 . . . . . . . . . . 4766 1 810 . 1 1 106 106 GLN HA H 1 3.92 0.01 . . . . . . . . . . 4766 1 811 . 1 1 106 106 GLN N N 15 116.73 0.06 . . . . . . . . . . 4766 1 812 . 1 1 107 107 GLU C C 13 179.82 0.02 . . . . . . . . . . 4766 1 813 . 1 1 107 107 GLU CA C 13 58.88 0.05 . . . . . . . . . . 4766 1 814 . 1 1 107 107 GLU CB C 13 28.82 0.01 . . . . . . . . . . 4766 1 815 . 1 1 107 107 GLU H H 1 7.44 0.01 . . . . . . . . . . 4766 1 816 . 1 1 107 107 GLU HA H 1 5.20 0.01 . . . . . . . . . . 4766 1 817 . 1 1 107 107 GLU N N 15 122.16 0.04 . . . . . . . . . . 4766 1 818 . 1 1 108 108 PHE C C 13 177.51 0.02 . . . . . . . . . . 4766 1 819 . 1 1 108 108 PHE CA C 13 57.70 0.06 . . . . . . . . . . 4766 1 820 . 1 1 108 108 PHE CB C 13 36.49 0.28 . . . . . . . . . . 4766 1 821 . 1 1 108 108 PHE H H 1 7.85 0.01 . . . . . . . . . . 4766 1 822 . 1 1 108 108 PHE HA H 1 4.40 0.00 . . . . . . . . . . 4766 1 823 . 1 1 108 108 PHE HB2 H 1 3.55 0.00 . . . . . . . . . . 4766 1 824 . 1 1 108 108 PHE N N 15 121.58 0.06 . . . . . . . . . . 4766 1 825 . 1 1 109 109 LYS C C 13 178.74 0.04 . . . . . . . . . . 4766 1 826 . 1 1 109 109 LYS CA C 13 59.92 0.06 . . . . . . . . . . 4766 1 827 . 1 1 109 109 LYS CB C 13 32.16 0.03 . . . . . . . . . . 4766 1 828 . 1 1 109 109 LYS H H 1 8.47 0.01 . . . . . . . . . . 4766 1 829 . 1 1 109 109 LYS HA H 1 5.19 0.00 . . . . . . . . . . 4766 1 830 . 1 1 109 109 LYS N N 15 124.99 0.08 . . . . . . . . . . 4766 1 831 . 1 1 110 110 GLU C C 13 178.88 0.03 . . . . . . . . . . 4766 1 832 . 1 1 110 110 GLU CA C 13 57.98 0.14 . . . . . . . . . . 4766 1 833 . 1 1 110 110 GLU CB C 13 28.58 0.01 . . . . . . . . . . 4766 1 834 . 1 1 110 110 GLU H H 1 7.72 0.01 . . . . . . . . . . 4766 1 835 . 1 1 110 110 GLU HA H 1 4.31 0.00 . . . . . . . . . . 4766 1 836 . 1 1 110 110 GLU HB2 H 1 1.86 0.00 . . . . . . . . . . 4766 1 837 . 1 1 110 110 GLU HB3 H 1 1.72 0.00 . . . . . . . . . . 4766 1 838 . 1 1 110 110 GLU N N 15 120.64 0.03 . . . . . . . . . . 4766 1 839 . 1 1 111 111 ALA C C 13 180.91 0.01 . . . . . . . . . . 4766 1 840 . 1 1 111 111 ALA CA C 13 54.97 0.05 . . . . . . . . . . 4766 1 841 . 1 1 111 111 ALA CB C 13 17.54 0.00 . . . . . . . . . . 4766 1 842 . 1 1 111 111 ALA H H 1 7.85 0.03 . . . . . . . . . . 4766 1 843 . 1 1 111 111 ALA HA H 1 4.11 0.00 . . . . . . . . . . 4766 1 844 . 1 1 111 111 ALA HB1 H 1 1.90 0.00 . . . . . . . . . . 4766 1 845 . 1 1 111 111 ALA HB2 H 1 1.90 0.00 . . . . . . . . . . 4766 1 846 . 1 1 111 111 ALA HB3 H 1 1.90 0.00 . . . . . . . . . . 4766 1 847 . 1 1 111 111 ALA N N 15 124.35 0.04 . . . . . . . . . . 4766 1 848 . 1 1 112 112 ALA C C 13 180.26 0.00 . . . . . . . . . . 4766 1 849 . 1 1 112 112 ALA CA C 13 54.41 0.05 . . . . . . . . . . 4766 1 850 . 1 1 112 112 ALA CB C 13 17.76 0.04 . . . . . . . . . . 4766 1 851 . 1 1 112 112 ALA H H 1 8.36 0.01 . . . . . . . . . . 4766 1 852 . 1 1 112 112 ALA HA H 1 4.15 0.02 . . . . . . . . . . 4766 1 853 . 1 1 112 112 ALA HB1 H 1 1.77 0.00 . . . . . . . . . . 4766 1 854 . 1 1 112 112 ALA HB2 H 1 1.77 0.00 . . . . . . . . . . 4766 1 855 . 1 1 112 112 ALA HB3 H 1 1.77 0.00 . . . . . . . . . . 4766 1 856 . 1 1 112 112 ALA N N 15 123.35 0.05 . . . . . . . . . . 4766 1 857 . 1 1 113 113 ARG C C 13 178.39 0.04 . . . . . . . . . . 4766 1 858 . 1 1 113 113 ARG CA C 13 57.63 0.04 . . . . . . . . . . 4766 1 859 . 1 1 113 113 ARG CB C 13 30.13 0.12 . . . . . . . . . . 4766 1 860 . 1 1 113 113 ARG H H 1 8.14 0.02 . . . . . . . . . . 4766 1 861 . 1 1 113 113 ARG HA H 1 4.35 0.01 . . . . . . . . . . 4766 1 862 . 1 1 113 113 ARG HB2 H 1 1.80 0.00 . . . . . . . . . . 4766 1 863 . 1 1 113 113 ARG N N 15 122.90 0.07 . . . . . . . . . . 4766 1 864 . 1 1 114 114 LEU C C 13 178.90 0.03 . . . . . . . . . . 4766 1 865 . 1 1 114 114 LEU CA C 13 57.00 0.04 . . . . . . . . . . 4766 1 866 . 1 1 114 114 LEU CB C 13 41.70 0.05 . . . . . . . . . . 4766 1 867 . 1 1 114 114 LEU H H 1 8.18 0.03 . . . . . . . . . . 4766 1 868 . 1 1 114 114 LEU HA H 1 4.20 0.00 . . . . . . . . . . 4766 1 869 . 1 1 114 114 LEU HB2 H 1 1.94 0.00 . . . . . . . . . . 4766 1 870 . 1 1 114 114 LEU N N 15 121.84 0.09 . . . . . . . . . . 4766 1 871 . 1 1 115 115 ALA C C 13 179.53 0.03 . . . . . . . . . . 4766 1 872 . 1 1 115 115 ALA CA C 13 54.14 0.03 . . . . . . . . . . 4766 1 873 . 1 1 115 115 ALA CB C 13 18.24 0.05 . . . . . . . . . . 4766 1 874 . 1 1 115 115 ALA H H 1 7.96 0.01 . . . . . . . . . . 4766 1 875 . 1 1 115 115 ALA HA H 1 4.33 0.00 . . . . . . . . . . 4766 1 876 . 1 1 115 115 ALA HB1 H 1 1.51 0.00 . . . . . . . . . . 4766 1 877 . 1 1 115 115 ALA HB2 H 1 1.51 0.00 . . . . . . . . . . 4766 1 878 . 1 1 115 115 ALA HB3 H 1 1.51 0.00 . . . . . . . . . . 4766 1 879 . 1 1 115 115 ALA N N 15 123.01 0.10 . . . . . . . . . . 4766 1 880 . 1 1 116 116 LYS C C 13 178.22 0.03 . . . . . . . . . . 4766 1 881 . 1 1 116 116 LYS CA C 13 57.56 0.06 . . . . . . . . . . 4766 1 882 . 1 1 116 116 LYS CB C 13 32.31 0.05 . . . . . . . . . . 4766 1 883 . 1 1 116 116 LYS H H 1 7.78 0.01 . . . . . . . . . . 4766 1 884 . 1 1 116 116 LYS HA H 1 4.18 0.00 . . . . . . . . . . 4766 1 885 . 1 1 116 116 LYS HB2 H 1 1.85 0.00 . . . . . . . . . . 4766 1 886 . 1 1 116 116 LYS N N 15 120.59 0.07 . . . . . . . . . . 4766 1 887 . 1 1 117 117 GLU C C 13 177.83 0.02 . . . . . . . . . . 4766 1 888 . 1 1 117 117 GLU CA C 13 58.00 0.04 . . . . . . . . . . 4766 1 889 . 1 1 117 117 GLU CB C 13 29.74 0.05 . . . . . . . . . . 4766 1 890 . 1 1 117 117 GLU H H 1 8.11 0.02 . . . . . . . . . . 4766 1 891 . 1 1 117 117 GLU HA H 1 4.35 0.00 . . . . . . . . . . 4766 1 892 . 1 1 117 117 GLU N N 15 121.90 0.06 . . . . . . . . . . 4766 1 893 . 1 1 118 118 LYS C C 13 177.32 0.03 . . . . . . . . . . 4766 1 894 . 1 1 118 118 LYS CA C 13 56.96 0.05 . . . . . . . . . . 4766 1 895 . 1 1 118 118 LYS CB C 13 32.34 0.04 . . . . . . . . . . 4766 1 896 . 1 1 118 118 LYS H H 1 8.04 0.01 . . . . . . . . . . 4766 1 897 . 1 1 118 118 LYS HA H 1 4.23 0.00 . . . . . . . . . . 4766 1 898 . 1 1 118 118 LYS N N 15 121.30 0.04 . . . . . . . . . . 4766 1 899 . 1 1 119 119 SER C C 13 174.67 0.02 . . . . . . . . . . 4766 1 900 . 1 1 119 119 SER CA C 13 59.16 0.03 . . . . . . . . . . 4766 1 901 . 1 1 119 119 SER CB C 13 63.46 0.08 . . . . . . . . . . 4766 1 902 . 1 1 119 119 SER H H 1 7.95 0.01 . . . . . . . . . . 4766 1 903 . 1 1 119 119 SER HA H 1 4.18 0.01 . . . . . . . . . . 4766 1 904 . 1 1 119 119 SER HB2 H 1 3.79 0.00 . . . . . . . . . . 4766 1 905 . 1 1 119 119 SER N N 15 117.16 0.06 . . . . . . . . . . 4766 1 906 . 1 1 120 120 GLN C C 13 175.82 0.00 . . . . . . . . . . 4766 1 907 . 1 1 120 120 GLN CB C 13 32.68 0.00 . . . . . . . . . . 4766 1 908 . 1 1 120 120 GLN H H 1 8.13 0.01 . . . . . . . . . . 4766 1 909 . 1 1 120 120 GLN N N 15 122.94 0.05 . . . . . . . . . . 4766 1 910 . 1 1 121 121 GLU C C 13 176.28 0.00 . . . . . . . . . . 4766 1 911 . 1 1 121 121 GLU CA C 13 56.96 0.11 . . . . . . . . . . 4766 1 912 . 1 1 121 121 GLU CB C 13 28.92 0.04 . . . . . . . . . . 4766 1 913 . 1 1 121 121 GLU HA H 1 4.36 0.00 . . . . . . . . . . 4766 1 914 . 1 1 122 122 LYS C C 13 176.59 0.04 . . . . . . . . . . 4766 1 915 . 1 1 122 122 LYS CA C 13 56.17 0.06 . . . . . . . . . . 4766 1 916 . 1 1 122 122 LYS CB C 13 32.60 0.06 . . . . . . . . . . 4766 1 917 . 1 1 122 122 LYS H H 1 8.13 0.01 . . . . . . . . . . 4766 1 918 . 1 1 122 122 LYS HA H 1 4.17 0.00 . . . . . . . . . . 4766 1 919 . 1 1 122 122 LYS N N 15 122.91 0.05 . . . . . . . . . . 4766 1 920 . 1 1 123 123 MET C C 13 176.09 0.10 . . . . . . . . . . 4766 1 921 . 1 1 123 123 MET CA C 13 55.58 0.06 . . . . . . . . . . 4766 1 922 . 1 1 123 123 MET CB C 13 32.76 0.01 . . . . . . . . . . 4766 1 923 . 1 1 123 123 MET H H 1 8.21 0.02 . . . . . . . . . . 4766 1 924 . 1 1 123 123 MET HA H 1 4.33 0.00 . . . . . . . . . . 4766 1 925 . 1 1 123 123 MET HB2 H 1 2.19 0.00 . . . . . . . . . . 4766 1 926 . 1 1 123 123 MET HB3 H 1 1.83 0.00 . . . . . . . . . . 4766 1 927 . 1 1 123 123 MET N N 15 123.21 0.10 . . . . . . . . . . 4766 1 928 . 1 1 124 124 GLU C C 13 176.37 0.01 . . . . . . . . . . 4766 1 929 . 1 1 124 124 GLU CA C 13 56.36 0.05 . . . . . . . . . . 4766 1 930 . 1 1 124 124 GLU CB C 13 30.15 0.07 . . . . . . . . . . 4766 1 931 . 1 1 124 124 GLU H H 1 8.31 0.04 . . . . . . . . . . 4766 1 932 . 1 1 124 124 GLU HA H 1 4.23 0.00 . . . . . . . . . . 4766 1 933 . 1 1 124 124 GLU HB2 H 1 1.80 0.00 . . . . . . . . . . 4766 1 934 . 1 1 124 124 GLU HB3 H 1 1.61 0.00 . . . . . . . . . . 4766 1 935 . 1 1 124 124 GLU N N 15 123.65 0.10 . . . . . . . . . . 4766 1 936 . 1 1 125 125 LEU C C 13 177.49 0.01 . . . . . . . . . . 4766 1 937 . 1 1 125 125 LEU CA C 13 55.12 0.06 . . . . . . . . . . 4766 1 938 . 1 1 125 125 LEU CB C 13 42.17 0.04 . . . . . . . . . . 4766 1 939 . 1 1 125 125 LEU H H 1 8.27 0.01 . . . . . . . . . . 4766 1 940 . 1 1 125 125 LEU HA H 1 4.39 0.03 . . . . . . . . . . 4766 1 941 . 1 1 125 125 LEU HB2 H 1 2.68 0.01 . . . . . . . . . . 4766 1 942 . 1 1 125 125 LEU HB3 H 1 2.60 0.00 . . . . . . . . . . 4766 1 943 . 1 1 125 125 LEU N N 15 124.86 0.04 . . . . . . . . . . 4766 1 944 . 1 1 126 126 THR C C 13 174.39 0.04 . . . . . . . . . . 4766 1 945 . 1 1 126 126 THR CA C 13 61.50 0.05 . . . . . . . . . . 4766 1 946 . 1 1 126 126 THR CB C 13 69.65 0.08 . . . . . . . . . . 4766 1 947 . 1 1 126 126 THR H H 1 8.02 0.02 . . . . . . . . . . 4766 1 948 . 1 1 126 126 THR HA H 1 4.15 0.00 . . . . . . . . . . 4766 1 949 . 1 1 126 126 THR HG21 H 1 1.38 0.00 . . . . . . . . . . 4766 1 950 . 1 1 126 126 THR HG22 H 1 1.38 0.00 . . . . . . . . . . 4766 1 951 . 1 1 126 126 THR HG23 H 1 1.38 0.00 . . . . . . . . . . 4766 1 952 . 1 1 126 126 THR N N 15 115.90 0.16 . . . . . . . . . . 4766 1 953 . 1 1 127 127 SER C C 13 174.23 0.07 . . . . . . . . . . 4766 1 954 . 1 1 127 127 SER CA C 13 57.93 0.07 . . . . . . . . . . 4766 1 955 . 1 1 127 127 SER CB C 13 63.69 0.07 . . . . . . . . . . 4766 1 956 . 1 1 127 127 SER H H 1 8.18 0.01 . . . . . . . . . . 4766 1 957 . 1 1 127 127 SER HA H 1 4.34 0.27 . . . . . . . . . . 4766 1 958 . 1 1 127 127 SER HB2 H 1 3.77 0.00 . . . . . . . . . . 4766 1 959 . 1 1 127 127 SER N N 15 119.58 0.04 . . . . . . . . . . 4766 1 960 . 1 1 128 128 THR C C 13 172.93 0.00 . . . . . . . . . . 4766 1 961 . 1 1 128 128 THR CA C 13 59.58 0.01 . . . . . . . . . . 4766 1 962 . 1 1 128 128 THR CB C 13 69.53 0.00 . . . . . . . . . . 4766 1 963 . 1 1 128 128 THR H H 1 8.14 0.01 . . . . . . . . . . 4766 1 964 . 1 1 128 128 THR N N 15 119.82 0.05 . . . . . . . . . . 4766 1 965 . 1 1 129 129 PRO C C 13 176.99 0.00 . . . . . . . . . . 4766 1 966 . 1 1 129 129 PRO CA C 13 63.19 0.05 . . . . . . . . . . 4766 1 967 . 1 1 129 129 PRO CB C 13 31.90 0.00 . . . . . . . . . . 4766 1 968 . 1 1 129 129 PRO HA H 1 4.36 0.00 . . . . . . . . . . 4766 1 969 . 1 1 129 129 PRO HB2 H 1 2.22 0.00 . . . . . . . . . . 4766 1 970 . 1 1 130 130 SER C C 13 174.66 0.02 . . . . . . . . . . 4766 1 971 . 1 1 130 130 SER CA C 13 58.24 0.03 . . . . . . . . . . 4766 1 972 . 1 1 130 130 SER CB C 13 63.58 0.09 . . . . . . . . . . 4766 1 973 . 1 1 130 130 SER H H 1 8.32 0.02 . . . . . . . . . . 4766 1 974 . 1 1 130 130 SER HA H 1 4.41 0.00 . . . . . . . . . . 4766 1 975 . 1 1 130 130 SER HB2 H 1 3.98 0.00 . . . . . . . . . . 4766 1 976 . 1 1 130 130 SER N N 15 117.77 0.06 . . . . . . . . . . 4766 1 977 . 1 1 131 131 GLN C C 13 176.11 0.02 . . . . . . . . . . 4766 1 978 . 1 1 131 131 GLN CA C 13 55.88 0.03 . . . . . . . . . . 4766 1 979 . 1 1 131 131 GLN CB C 13 29.24 0.01 . . . . . . . . . . 4766 1 980 . 1 1 131 131 GLN H H 1 8.37 0.02 . . . . . . . . . . 4766 1 981 . 1 1 131 131 GLN HA H 1 4.27 0.00 . . . . . . . . . . 4766 1 982 . 1 1 131 131 GLN N N 15 123.87 0.08 . . . . . . . . . . 4766 1 983 . 1 1 132 132 GLU C C 13 176.63 0.03 . . . . . . . . . . 4766 1 984 . 1 1 132 132 GLU CA C 13 56.65 0.06 . . . . . . . . . . 4766 1 985 . 1 1 132 132 GLU CB C 13 30.03 0.04 . . . . . . . . . . 4766 1 986 . 1 1 132 132 GLU H H 1 8.35 0.01 . . . . . . . . . . 4766 1 987 . 1 1 132 132 GLU HA H 1 4.20 0.00 . . . . . . . . . . 4766 1 988 . 1 1 132 132 GLU HB2 H 1 1.97 0.00 . . . . . . . . . . 4766 1 989 . 1 1 132 132 GLU HB3 H 1 1.85 0.00 . . . . . . . . . . 4766 1 990 . 1 1 132 132 GLU N N 15 123.41 0.06 . . . . . . . . . . 4766 1 991 . 1 1 133 133 SER C C 13 174.41 0.05 . . . . . . . . . . 4766 1 992 . 1 1 133 133 SER CA C 13 58.02 0.04 . . . . . . . . . . 4766 1 993 . 1 1 133 133 SER CB C 13 63.65 0.00 . . . . . . . . . . 4766 1 994 . 1 1 133 133 SER H H 1 8.20 0.01 . . . . . . . . . . 4766 1 995 . 1 1 133 133 SER HA H 1 4.36 0.00 . . . . . . . . . . 4766 1 996 . 1 1 133 133 SER HB2 H 1 4.12 0.00 . . . . . . . . . . 4766 1 997 . 1 1 133 133 SER N N 15 118.15 0.04 . . . . . . . . . . 4766 1 998 . 1 1 134 134 ALA C C 13 178.13 0.02 . . . . . . . . . . 4766 1 999 . 1 1 134 134 ALA CA C 13 52.47 0.07 . . . . . . . . . . 4766 1 1000 . 1 1 134 134 ALA CB C 13 19.11 0.01 . . . . . . . . . . 4766 1 1001 . 1 1 134 134 ALA H H 1 8.26 0.01 . . . . . . . . . . 4766 1 1002 . 1 1 134 134 ALA HA H 1 4.29 0.01 . . . . . . . . . . 4766 1 1003 . 1 1 134 134 ALA HB1 H 1 1.34 0.02 . . . . . . . . . . 4766 1 1004 . 1 1 134 134 ALA HB2 H 1 1.34 0.02 . . . . . . . . . . 4766 1 1005 . 1 1 134 134 ALA HB3 H 1 1.34 0.02 . . . . . . . . . . 4766 1 1006 . 1 1 134 134 ALA N N 15 127.82 0.02 . . . . . . . . . . 4766 1 1007 . 1 1 135 135 GLY C C 13 174.72 0.03 . . . . . . . . . . 4766 1 1008 . 1 1 135 135 GLY CA C 13 45.21 0.04 . . . . . . . . . . 4766 1 1009 . 1 1 135 135 GLY H H 1 8.25 0.01 . . . . . . . . . . 4766 1 1010 . 1 1 135 135 GLY HA2 H 1 3.89 0.01 . . . . . . . . . . 4766 1 1011 . 1 1 135 135 GLY N N 15 109.54 0.08 . . . . . . . . . . 4766 1 1012 . 1 1 136 136 GLY C C 13 173.93 0.03 . . . . . . . . . . 4766 1 1013 . 1 1 136 136 GLY CA C 13 45.07 0.04 . . . . . . . . . . 4766 1 1014 . 1 1 136 136 GLY H H 1 8.13 0.01 . . . . . . . . . . 4766 1 1015 . 1 1 136 136 GLY HA2 H 1 3.89 0.01 . . . . . . . . . . 4766 1 1016 . 1 1 136 136 GLY N N 15 110.32 0.05 . . . . . . . . . . 4766 1 1017 . 1 1 137 137 ASP C C 13 176.27 0.04 . . . . . . . . . . 4766 1 1018 . 1 1 137 137 ASP CA C 13 54.07 0.07 . . . . . . . . . . 4766 1 1019 . 1 1 137 137 ASP CB C 13 40.96 0.03 . . . . . . . . . . 4766 1 1020 . 1 1 137 137 ASP H H 1 8.22 0.01 . . . . . . . . . . 4766 1 1021 . 1 1 137 137 ASP HA H 1 4.53 0.01 . . . . . . . . . . 4766 1 1022 . 1 1 137 137 ASP HB2 H 1 2.62 0.00 . . . . . . . . . . 4766 1 1023 . 1 1 137 137 ASP HB3 H 1 2.50 0.01 . . . . . . . . . . 4766 1 1024 . 1 1 137 137 ASP N N 15 121.82 0.03 . . . . . . . . . . 4766 1 1025 . 1 1 138 138 LEU C C 13 177.35 0.02 . . . . . . . . . . 4766 1 1026 . 1 1 138 138 LEU CA C 13 55.13 0.05 . . . . . . . . . . 4766 1 1027 . 1 1 138 138 LEU CB C 13 42.01 0.04 . . . . . . . . . . 4766 1 1028 . 1 1 138 138 LEU H H 1 8.08 0.01 . . . . . . . . . . 4766 1 1029 . 1 1 138 138 LEU HA H 1 4.28 0.02 . . . . . . . . . . 4766 1 1030 . 1 1 138 138 LEU HB2 H 1 1.55 0.03 . . . . . . . . . . 4766 1 1031 . 1 1 138 138 LEU HD11 H 1 0.86 0.00 . . . . . . . . . . 4766 1 1032 . 1 1 138 138 LEU HD12 H 1 0.86 0.00 . . . . . . . . . . 4766 1 1033 . 1 1 138 138 LEU HD13 H 1 0.86 0.00 . . . . . . . . . . 4766 1 1034 . 1 1 138 138 LEU HD21 H 1 0.81 0.00 . . . . . . . . . . 4766 1 1035 . 1 1 138 138 LEU HD22 H 1 0.81 0.00 . . . . . . . . . . 4766 1 1036 . 1 1 138 138 LEU HD23 H 1 0.81 0.00 . . . . . . . . . . 4766 1 1037 . 1 1 138 138 LEU HG H 1 1.36 0.00 . . . . . . . . . . 4766 1 1038 . 1 1 138 138 LEU N N 15 123.77 0.03 . . . . . . . . . . 4766 1 1039 . 1 1 139 139 GLN C C 13 175.77 0.03 . . . . . . . . . . 4766 1 1040 . 1 1 139 139 GLN CA C 13 55.39 0.06 . . . . . . . . . . 4766 1 1041 . 1 1 139 139 GLN CB C 13 29.30 0.04 . . . . . . . . . . 4766 1 1042 . 1 1 139 139 GLN H H 1 8.23 0.01 . . . . . . . . . . 4766 1 1043 . 1 1 139 139 GLN HA H 1 4.31 0.00 . . . . . . . . . . 4766 1 1044 . 1 1 139 139 GLN HB2 H 1 1.70 0.00 . . . . . . . . . . 4766 1 1045 . 1 1 139 139 GLN N N 15 122.31 0.02 . . . . . . . . . . 4766 1 1046 . 1 1 140 140 SER CA C 13 56.15 0.05 . . . . . . . . . . 4766 1 1047 . 1 1 140 140 SER CB C 13 63.16 0.00 . . . . . . . . . . 4766 1 1048 . 1 1 140 140 SER H H 1 8.18 0.01 . . . . . . . . . . 4766 1 1049 . 1 1 140 140 SER N N 15 119.91 0.14 . . . . . . . . . . 4766 1 1050 . 1 1 141 141 PRO C C 13 176.72 0.01 . . . . . . . . . . 4766 1 1051 . 1 1 141 141 PRO CA C 13 62.91 0.05 . . . . . . . . . . 4766 1 1052 . 1 1 141 141 PRO CB C 13 31.87 0.02 . . . . . . . . . . 4766 1 1053 . 1 1 141 141 PRO HA H 1 4.51 0.00 . . . . . . . . . . 4766 1 1054 . 1 1 141 141 PRO HB2 H 1 2.61 0.00 . . . . . . . . . . 4766 1 1055 . 1 1 141 141 PRO HB3 H 1 2.50 0.02 . . . . . . . . . . 4766 1 1056 . 1 1 142 142 LEU C C 13 177.25 0.01 . . . . . . . . . . 4766 1 1057 . 1 1 142 142 LEU CA C 13 54.91 0.05 . . . . . . . . . . 4766 1 1058 . 1 1 142 142 LEU CB C 13 42.02 0.04 . . . . . . . . . . 4766 1 1059 . 1 1 142 142 LEU H H 1 8.15 0.02 . . . . . . . . . . 4766 1 1060 . 1 1 142 142 LEU HA H 1 4.47 0.01 . . . . . . . . . . 4766 1 1061 . 1 1 142 142 LEU HB2 H 1 2.24 0.00 . . . . . . . . . . 4766 1 1062 . 1 1 142 142 LEU HB3 H 1 2.06 0.00 . . . . . . . . . . 4766 1 1063 . 1 1 142 142 LEU N N 15 123.67 0.07 . . . . . . . . . . 4766 1 1064 . 1 1 143 143 THR C C 13 173.03 0.00 . . . . . . . . . . 4766 1 1065 . 1 1 143 143 THR CA C 13 59.21 0.05 . . . . . . . . . . 4766 1 1066 . 1 1 143 143 THR CB C 13 69.31 0.00 . . . . . . . . . . 4766 1 1067 . 1 1 143 143 THR H H 1 7.96 0.04 . . . . . . . . . . 4766 1 1068 . 1 1 143 143 THR N N 15 118.16 0.07 . . . . . . . . . . 4766 1 1069 . 1 1 144 144 PRO C C 13 176.94 0.04 . . . . . . . . . . 4766 1 1070 . 1 1 144 144 PRO CA C 13 63.37 0.07 . . . . . . . . . . 4766 1 1071 . 1 1 144 144 PRO CB C 13 31.89 0.06 . . . . . . . . . . 4766 1 1072 . 1 1 144 144 PRO HA H 1 4.41 0.02 . . . . . . . . . . 4766 1 1073 . 1 1 144 144 PRO HB2 H 1 2.25 0.02 . . . . . . . . . . 4766 1 1074 . 1 1 144 144 PRO HB3 H 1 1.91 0.02 . . . . . . . . . . 4766 1 1075 . 1 1 145 145 GLU C C 13 176.50 0.02 . . . . . . . . . . 4766 1 1076 . 1 1 145 145 GLU CA C 13 56.92 0.06 . . . . . . . . . . 4766 1 1077 . 1 1 145 145 GLU CB C 13 29.84 0.06 . . . . . . . . . . 4766 1 1078 . 1 1 145 145 GLU H H 1 8.43 0.01 . . . . . . . . . . 4766 1 1079 . 1 1 145 145 GLU HA H 1 4.20 0.02 . . . . . . . . . . 4766 1 1080 . 1 1 145 145 GLU HB2 H 1 1.98 0.03 . . . . . . . . . . 4766 1 1081 . 1 1 145 145 GLU HB3 H 1 1.86 0.03 . . . . . . . . . . 4766 1 1082 . 1 1 145 145 GLU HG2 H 1 2.21 0.00 . . . . . . . . . . 4766 1 1083 . 1 1 145 145 GLU N N 15 121.71 0.19 . . . . . . . . . . 4766 1 1084 . 1 1 146 146 SER C C 13 174.65 0.03 . . . . . . . . . . 4766 1 1085 . 1 1 146 146 SER CA C 13 58.20 0.05 . . . . . . . . . . 4766 1 1086 . 1 1 146 146 SER CB C 13 63.58 0.03 . . . . . . . . . . 4766 1 1087 . 1 1 146 146 SER H H 1 8.13 0.01 . . . . . . . . . . 4766 1 1088 . 1 1 146 146 SER HA H 1 4.37 0.00 . . . . . . . . . . 4766 1 1089 . 1 1 146 146 SER N N 15 118.00 0.04 . . . . . . . . . . 4766 1 1090 . 1 1 147 147 ILE C C 13 176.07 0.05 . . . . . . . . . . 4766 1 1091 . 1 1 147 147 ILE CA C 13 61.16 0.06 . . . . . . . . . . 4766 1 1092 . 1 1 147 147 ILE CB C 13 38.49 0.01 . . . . . . . . . . 4766 1 1093 . 1 1 147 147 ILE H H 1 7.98 0.01 . . . . . . . . . . 4766 1 1094 . 1 1 147 147 ILE HA H 1 4.15 0.00 . . . . . . . . . . 4766 1 1095 . 1 1 147 147 ILE N N 15 123.66 0.05 . . . . . . . . . . 4766 1 1096 . 1 1 148 148 ASN C C 13 175.61 0.02 . . . . . . . . . . 4766 1 1097 . 1 1 148 148 ASN CA C 13 53.11 0.08 . . . . . . . . . . 4766 1 1098 . 1 1 148 148 ASN CB C 13 38.94 0.02 . . . . . . . . . . 4766 1 1099 . 1 1 148 148 ASN H H 1 8.36 0.00 . . . . . . . . . . 4766 1 1100 . 1 1 148 148 ASN HA H 1 4.67 0.01 . . . . . . . . . . 4766 1 1101 . 1 1 148 148 ASN HB2 H 1 2.76 0.04 . . . . . . . . . . 4766 1 1102 . 1 1 148 148 ASN HB3 H 1 2.64 0.07 . . . . . . . . . . 4766 1 1103 . 1 1 148 148 ASN N N 15 123.46 0.04 . . . . . . . . . . 4766 1 1104 . 1 1 149 149 GLY C C 13 174.34 0.04 . . . . . . . . . . 4766 1 1105 . 1 1 149 149 GLY CA C 13 45.30 0.04 . . . . . . . . . . 4766 1 1106 . 1 1 149 149 GLY H H 1 8.23 0.02 . . . . . . . . . . 4766 1 1107 . 1 1 149 149 GLY HA2 H 1 3.94 0.01 . . . . . . . . . . 4766 1 1108 . 1 1 149 149 GLY N N 15 111.12 0.06 . . . . . . . . . . 4766 1 1109 . 1 1 150 150 THR C C 13 174.57 0.03 . . . . . . . . . . 4766 1 1110 . 1 1 150 150 THR CA C 13 61.50 0.05 . . . . . . . . . . 4766 1 1111 . 1 1 150 150 THR CB C 13 69.73 0.02 . . . . . . . . . . 4766 1 1112 . 1 1 150 150 THR H H 1 8.00 0.01 . . . . . . . . . . 4766 1 1113 . 1 1 150 150 THR HA H 1 4.32 0.01 . . . . . . . . . . 4766 1 1114 . 1 1 150 150 THR HB H 1 4.18 0.01 . . . . . . . . . . 4766 1 1115 . 1 1 150 150 THR HG21 H 1 1.13 0.00 . . . . . . . . . . 4766 1 1116 . 1 1 150 150 THR HG22 H 1 1.13 0.00 . . . . . . . . . . 4766 1 1117 . 1 1 150 150 THR HG23 H 1 1.13 0.00 . . . . . . . . . . 4766 1 1118 . 1 1 150 150 THR N N 15 114.59 0.07 . . . . . . . . . . 4766 1 1119 . 1 1 151 151 ASP C C 13 176.05 0.01 . . . . . . . . . . 4766 1 1120 . 1 1 151 151 ASP CA C 13 54.45 0.03 . . . . . . . . . . 4766 1 1121 . 1 1 151 151 ASP CB C 13 40.96 0.01 . . . . . . . . . . 4766 1 1122 . 1 1 151 151 ASP H H 1 8.35 0.01 . . . . . . . . . . 4766 1 1123 . 1 1 151 151 ASP HA H 1 4.54 0.01 . . . . . . . . . . 4766 1 1124 . 1 1 151 151 ASP HB2 H 1 2.63 0.00 . . . . . . . . . . 4766 1 1125 . 1 1 151 151 ASP HB3 H 1 2.53 0.01 . . . . . . . . . . 4766 1 1126 . 1 1 151 151 ASP N N 15 123.97 0.02 . . . . . . . . . . 4766 1 1127 . 1 1 152 152 ASP C C 13 176.29 0.02 . . . . . . . . . . 4766 1 1128 . 1 1 152 152 ASP CA C 13 54.39 0.02 . . . . . . . . . . 4766 1 1129 . 1 1 152 152 ASP CB C 13 41.05 0.01 . . . . . . . . . . 4766 1 1130 . 1 1 152 152 ASP H H 1 8.13 0.02 . . . . . . . . . . 4766 1 1131 . 1 1 152 152 ASP HA H 1 4.50 0.03 . . . . . . . . . . 4766 1 1132 . 1 1 152 152 ASP HB2 H 1 2.62 0.02 . . . . . . . . . . 4766 1 1133 . 1 1 152 152 ASP HB3 H 1 2.52 0.02 . . . . . . . . . . 4766 1 1134 . 1 1 152 152 ASP N N 15 122.10 0.06 . . . . . . . . . . 4766 1 1135 . 1 1 153 153 GLU C C 13 176.43 0.02 . . . . . . . . . . 4766 1 1136 . 1 1 153 153 GLU CA C 13 56.51 0.07 . . . . . . . . . . 4766 1 1137 . 1 1 153 153 GLU CB C 13 29.83 0.03 . . . . . . . . . . 4766 1 1138 . 1 1 153 153 GLU H H 1 8.21 0.02 . . . . . . . . . . 4766 1 1139 . 1 1 153 153 GLU HA H 1 4.18 0.03 . . . . . . . . . . 4766 1 1140 . 1 1 153 153 GLU HB2 H 1 2.00 0.02 . . . . . . . . . . 4766 1 1141 . 1 1 153 153 GLU HB3 H 1 1.88 0.01 . . . . . . . . . . 4766 1 1142 . 1 1 153 153 GLU HG2 H 1 2.22 0.00 . . . . . . . . . . 4766 1 1143 . 1 1 153 153 GLU N N 15 122.46 0.02 . . . . . . . . . . 4766 1 1144 . 1 1 154 154 ARG C C 13 176.26 0.01 . . . . . . . . . . 4766 1 1145 . 1 1 154 154 ARG CA C 13 55.68 0.04 . . . . . . . . . . 4766 1 1146 . 1 1 154 154 ARG CB C 13 30.68 0.01 . . . . . . . . . . 4766 1 1147 . 1 1 154 154 ARG H H 1 8.11 0.01 . . . . . . . . . . 4766 1 1148 . 1 1 154 154 ARG HA H 1 4.30 0.00 . . . . . . . . . . 4766 1 1149 . 1 1 154 154 ARG HB2 H 1 1.75 0.04 . . . . . . . . . . 4766 1 1150 . 1 1 154 154 ARG HD2 H 1 3.14 0.00 . . . . . . . . . . 4766 1 1151 . 1 1 154 154 ARG HG2 H 1 2.29 0.00 . . . . . . . . . . 4766 1 1152 . 1 1 154 154 ARG N N 15 123.28 0.03 . . . . . . . . . . 4766 1 1153 . 1 1 155 155 THR C C 13 173.02 0.00 . . . . . . . . . . 4766 1 1154 . 1 1 155 155 THR CA C 13 59.69 0.05 . . . . . . . . . . 4766 1 1155 . 1 1 155 155 THR CB C 13 69.23 0.00 . . . . . . . . . . 4766 1 1156 . 1 1 155 155 THR H H 1 8.12 0.01 . . . . . . . . . . 4766 1 1157 . 1 1 155 155 THR N N 15 119.54 0.07 . . . . . . . . . . 4766 1 1158 . 1 1 156 156 PRO C C 13 176.49 0.01 . . . . . . . . . . 4766 1 1159 . 1 1 156 156 PRO CA C 13 63.14 0.04 . . . . . . . . . . 4766 1 1160 . 1 1 156 156 PRO CB C 13 31.91 0.01 . . . . . . . . . . 4766 1 1161 . 1 1 156 156 PRO HA H 1 4.32 0.00 . . . . . . . . . . 4766 1 1162 . 1 1 156 156 PRO HB2 H 1 2.19 0.00 . . . . . . . . . . 4766 1 1163 . 1 1 156 156 PRO HB3 H 1 1.81 0.00 . . . . . . . . . . 4766 1 1164 . 1 1 157 157 ASP C C 13 176.57 0.06 . . . . . . . . . . 4766 1 1165 . 1 1 157 157 ASP CA C 13 54.13 0.05 . . . . . . . . . . 4766 1 1166 . 1 1 157 157 ASP CB C 13 40.91 0.02 . . . . . . . . . . 4766 1 1167 . 1 1 157 157 ASP H H 1 8.29 0.01 . . . . . . . . . . 4766 1 1168 . 1 1 157 157 ASP HA H 1 4.50 0.00 . . . . . . . . . . 4766 1 1169 . 1 1 157 157 ASP HB2 H 1 2.62 0.00 . . . . . . . . . . 4766 1 1170 . 1 1 157 157 ASP HB3 H 1 2.49 0.00 . . . . . . . . . . 4766 1 1171 . 1 1 157 157 ASP N N 15 122.11 0.03 . . . . . . . . . . 4766 1 1172 . 1 1 158 158 VAL C C 13 176.59 0.01 . . . . . . . . . . 4766 1 1173 . 1 1 158 158 VAL CA C 13 62.21 0.04 . . . . . . . . . . 4766 1 1174 . 1 1 158 158 VAL CB C 13 32.36 0.08 . . . . . . . . . . 4766 1 1175 . 1 1 158 158 VAL H H 1 8.01 0.01 . . . . . . . . . . 4766 1 1176 . 1 1 158 158 VAL HA H 1 4.14 0.01 . . . . . . . . . . 4766 1 1177 . 1 1 158 158 VAL HB H 1 2.09 0.01 . . . . . . . . . . 4766 1 1178 . 1 1 158 158 VAL HG11 H 1 0.87 0.00 . . . . . . . . . . 4766 1 1179 . 1 1 158 158 VAL HG12 H 1 0.87 0.00 . . . . . . . . . . 4766 1 1180 . 1 1 158 158 VAL HG13 H 1 0.87 0.00 . . . . . . . . . . 4766 1 1181 . 1 1 158 158 VAL N N 15 121.51 0.05 . . . . . . . . . . 4766 1 1182 . 1 1 159 159 THR C C 13 174.76 0.05 . . . . . . . . . . 4766 1 1183 . 1 1 159 159 THR CA C 13 62.21 0.04 . . . . . . . . . . 4766 1 1184 . 1 1 159 159 THR CB C 13 69.48 0.02 . . . . . . . . . . 4766 1 1185 . 1 1 159 159 THR H H 1 8.16 0.01 . . . . . . . . . . 4766 1 1186 . 1 1 159 159 THR HA H 1 4.23 0.02 . . . . . . . . . . 4766 1 1187 . 1 1 159 159 THR HB H 1 4.12 0.02 . . . . . . . . . . 4766 1 1188 . 1 1 159 159 THR HG21 H 1 1.14 0.00 . . . . . . . . . . 4766 1 1189 . 1 1 159 159 THR HG22 H 1 1.14 0.00 . . . . . . . . . . 4766 1 1190 . 1 1 159 159 THR HG23 H 1 1.14 0.00 . . . . . . . . . . 4766 1 1191 . 1 1 159 159 THR N N 15 118.59 0.13 . . . . . . . . . . 4766 1 1192 . 1 1 160 160 GLN C C 13 175.62 0.03 . . . . . . . . . . 4766 1 1193 . 1 1 160 160 GLN CA C 13 55.68 0.02 . . . . . . . . . . 4766 1 1194 . 1 1 160 160 GLN CB C 13 29.16 0.04 . . . . . . . . . . 4766 1 1195 . 1 1 160 160 GLN H H 1 8.20 0.01 . . . . . . . . . . 4766 1 1196 . 1 1 160 160 GLN HA H 1 4.27 0.03 . . . . . . . . . . 4766 1 1197 . 1 1 160 160 GLN HB2 H 1 2.04 0.01 . . . . . . . . . . 4766 1 1198 . 1 1 160 160 GLN HB3 H 1 1.89 0.03 . . . . . . . . . . 4766 1 1199 . 1 1 160 160 GLN N N 15 123.81 0.04 . . . . . . . . . . 4766 1 1200 . 1 1 161 161 ASN C C 13 175.07 0.03 . . . . . . . . . . 4766 1 1201 . 1 1 161 161 ASN CA C 13 53.11 0.07 . . . . . . . . . . 4766 1 1202 . 1 1 161 161 ASN CB C 13 38.82 0.05 . . . . . . . . . . 4766 1 1203 . 1 1 161 161 ASN H H 1 8.32 0.01 . . . . . . . . . . 4766 1 1204 . 1 1 161 161 ASN HA H 1 4.64 0.00 . . . . . . . . . . 4766 1 1205 . 1 1 161 161 ASN HB2 H 1 2.71 0.00 . . . . . . . . . . 4766 1 1206 . 1 1 161 161 ASN N N 15 121.58 0.07 . . . . . . . . . . 4766 1 1207 . 1 1 162 162 SER C C 13 174.10 0.07 . . . . . . . . . . 4766 1 1208 . 1 1 162 162 SER CA C 13 58.08 0.09 . . . . . . . . . . 4766 1 1209 . 1 1 162 162 SER CB C 13 63.68 0.04 . . . . . . . . . . 4766 1 1210 . 1 1 162 162 SER H H 1 8.17 0.01 . . . . . . . . . . 4766 1 1211 . 1 1 162 162 SER HA H 1 4.37 0.01 . . . . . . . . . . 4766 1 1212 . 1 1 162 162 SER HB2 H 1 3.79 0.03 . . . . . . . . . . 4766 1 1213 . 1 1 162 162 SER N N 15 117.80 0.03 . . . . . . . . . . 4766 1 1214 . 1 1 163 163 GLU C C 13 174.41 0.00 . . . . . . . . . . 4766 1 1215 . 1 1 163 163 GLU CA C 13 54.21 0.03 . . . . . . . . . . 4766 1 1216 . 1 1 163 163 GLU CB C 13 29.52 0.00 . . . . . . . . . . 4766 1 1217 . 1 1 163 163 GLU H H 1 8.21 0.01 . . . . . . . . . . 4766 1 1218 . 1 1 163 163 GLU N N 15 125.32 0.02 . . . . . . . . . . 4766 1 1219 . 1 1 164 164 PRO C C 13 174.60 0.00 . . . . . . . . . . 4766 1 1220 . 1 1 164 164 PRO CA C 13 62.97 0.05 . . . . . . . . . . 4766 1 1221 . 1 1 164 164 PRO CB C 13 31.84 0.01 . . . . . . . . . . 4766 1 1222 . 1 1 164 164 PRO HA H 1 4.27 0.00 . . . . . . . . . . 4766 1 1223 . 1 1 164 164 PRO HB2 H 1 2.02 0.00 . . . . . . . . . . 4766 1 1224 . 1 1 164 164 PRO HB3 H 1 1.39 0.00 . . . . . . . . . . 4766 1 1225 . 1 1 165 165 ARG C C 13 175.82 0.00 . . . . . . . . . . 4766 1 1226 . 1 1 165 165 ARG CA C 13 55.48 0.06 . . . . . . . . . . 4766 1 1227 . 1 1 165 165 ARG CB C 13 30.88 0.02 . . . . . . . . . . 4766 1 1228 . 1 1 165 165 ARG H H 1 8.31 0.01 . . . . . . . . . . 4766 1 1229 . 1 1 165 165 ARG HA H 1 3.77 0.00 . . . . . . . . . . 4766 1 1230 . 1 1 165 165 ARG HB2 H 1 1.75 0.00 . . . . . . . . . . 4766 1 1231 . 1 1 165 165 ARG N N 15 123.14 0.04 . . . . . . . . . . 4766 1 1232 . 1 1 166 166 ALA C C 13 177.26 0.01 . . . . . . . . . . 4766 1 1233 . 1 1 166 166 ALA CA C 13 51.90 0.04 . . . . . . . . . . 4766 1 1234 . 1 1 166 166 ALA CB C 13 19.27 0.04 . . . . . . . . . . 4766 1 1235 . 1 1 166 166 ALA H H 1 8.25 0.01 . . . . . . . . . . 4766 1 1236 . 1 1 166 166 ALA HA H 1 4.41 0.01 . . . . . . . . . . 4766 1 1237 . 1 1 166 166 ALA HB1 H 1 1.82 0.00 . . . . . . . . . . 4766 1 1238 . 1 1 166 166 ALA HB2 H 1 1.82 0.00 . . . . . . . . . . 4766 1 1239 . 1 1 166 166 ALA HB3 H 1 1.82 0.00 . . . . . . . . . . 4766 1 1240 . 1 1 166 166 ALA N N 15 127.61 0.18 . . . . . . . . . . 4766 1 1241 . 1 1 167 167 GLU C C 13 174.52 0.00 . . . . . . . . . . 4766 1 1242 . 1 1 167 167 GLU CA C 13 54.01 0.01 . . . . . . . . . . 4766 1 1243 . 1 1 167 167 GLU CB C 13 29.57 0.00 . . . . . . . . . . 4766 1 1244 . 1 1 167 167 GLU H H 1 8.23 0.01 . . . . . . . . . . 4766 1 1245 . 1 1 167 167 GLU N N 15 123.36 0.06 . . . . . . . . . . 4766 1 1246 . 1 1 168 168 PRO C C 13 176.59 0.01 . . . . . . . . . . 4766 1 1247 . 1 1 168 168 PRO CA C 13 62.98 0.06 . . . . . . . . . . 4766 1 1248 . 1 1 168 168 PRO CB C 13 31.85 0.01 . . . . . . . . . . 4766 1 1249 . 1 1 168 168 PRO HA H 1 4.31 0.00 . . . . . . . . . . 4766 1 1250 . 1 1 169 169 ALA C C 13 176.29 0.00 . . . . . . . . . . 4766 1 1251 . 1 1 169 169 ALA CA C 13 52.38 0.06 . . . . . . . . . . 4766 1 1252 . 1 1 169 169 ALA CB C 13 18.93 0.02 . . . . . . . . . . 4766 1 1253 . 1 1 169 169 ALA H H 1 8.29 0.01 . . . . . . . . . . 4766 1 1254 . 1 1 169 169 ALA HA H 1 4.15 0.02 . . . . . . . . . . 4766 1 1255 . 1 1 169 169 ALA N N 15 125.66 0.08 . . . . . . . . . . 4766 1 1256 . 1 1 170 170 GLN C C 13 175.75 0.00 . . . . . . . . . . 4766 1 1257 . 1 1 170 170 GLN CA C 13 55.89 0.02 . . . . . . . . . . 4766 1 1258 . 1 1 170 170 GLN CB C 13 29.06 0.02 . . . . . . . . . . 4766 1 1259 . 1 1 170 170 GLN H H 1 8.25 0.02 . . . . . . . . . . 4766 1 1260 . 1 1 170 170 GLN HA H 1 4.31 0.00 . . . . . . . . . . 4766 1 1261 . 1 1 170 170 GLN N N 15 120.76 0.11 . . . . . . . . . . 4766 1 1262 . 1 1 171 171 ASN C C 13 175.48 0.00 . . . . . . . . . . 4766 1 1263 . 1 1 171 171 ASN CA C 13 53.05 0.05 . . . . . . . . . . 4766 1 1264 . 1 1 171 171 ASN CB C 13 38.66 0.02 . . . . . . . . . . 4766 1 1265 . 1 1 171 171 ASN H H 1 8.24 0.03 . . . . . . . . . . 4766 1 1266 . 1 1 171 171 ASN HA H 1 4.34 0.03 . . . . . . . . . . 4766 1 1267 . 1 1 171 171 ASN N N 15 120.70 0.13 . . . . . . . . . . 4766 1 1268 . 1 1 172 172 ALA CA C 13 52.07 0.03 . . . . . . . . . . 4766 1 1269 . 1 1 172 172 ALA CB C 13 19.20 0.01 . . . . . . . . . . 4766 1 1270 . 1 1 172 172 ALA H H 1 8.00 0.01 . . . . . . . . . . 4766 1 1271 . 1 1 172 172 ALA HA H 1 4.38 0.01 . . . . . . . . . . 4766 1 1272 . 1 1 172 172 ALA HB1 H 1 1.92 0.00 . . . . . . . . . . 4766 1 1273 . 1 1 172 172 ALA HB2 H 1 1.92 0.00 . . . . . . . . . . 4766 1 1274 . 1 1 172 172 ALA HB3 H 1 1.92 0.00 . . . . . . . . . . 4766 1 1275 . 1 1 172 172 ALA N N 15 125.31 0.11 . . . . . . . . . . 4766 1 1276 . 1 1 173 173 LEU CA C 13 52.85 0.03 . . . . . . . . . . 4766 1 1277 . 1 1 173 173 LEU CB C 13 41.50 0.00 . . . . . . . . . . 4766 1 1278 . 1 1 173 173 LEU H H 1 8.01 0.02 . . . . . . . . . . 4766 1 1279 . 1 1 173 173 LEU N N 15 123.98 0.03 . . . . . . . . . . 4766 1 1280 . 1 1 174 174 PRO C C 13 177.80 0.02 . . . . . . . . . . 4766 1 1281 . 1 1 174 174 PRO CA C 13 63.00 0.06 . . . . . . . . . . 4766 1 1282 . 1 1 174 174 PRO CB C 13 31.59 0.00 . . . . . . . . . . 4766 1 1283 . 1 1 174 174 PRO HA H 1 4.54 0.01 . . . . . . . . . . 4766 1 1284 . 1 1 174 174 PRO HB2 H 1 2.64 0.01 . . . . . . . . . . 4766 1 1285 . 1 1 174 174 PRO HB3 H 1 2.52 0.01 . . . . . . . . . . 4766 1 1286 . 1 1 174 174 PRO HD2 H 1 4.35 0.00 . . . . . . . . . . 4766 1 1287 . 1 1 175 175 PHE C C 13 177.22 0.06 . . . . . . . . . . 4766 1 1288 . 1 1 175 175 PHE CA C 13 57.95 0.04 . . . . . . . . . . 4766 1 1289 . 1 1 175 175 PHE CB C 13 38.97 0.04 . . . . . . . . . . 4766 1 1290 . 1 1 175 175 PHE H H 1 8.02 0.04 . . . . . . . . . . 4766 1 1291 . 1 1 175 175 PHE HA H 1 4.32 0.01 . . . . . . . . . . 4766 1 1292 . 1 1 175 175 PHE HB2 H 1 1.55 0.00 . . . . . . . . . . 4766 1 1293 . 1 1 175 175 PHE N N 15 121.17 0.19 . . . . . . . . . . 4766 1 1294 . 1 1 176 176 SER C C 13 174.66 0.00 . . . . . . . . . . 4766 1 1295 . 1 1 176 176 SER CA C 13 58.23 0.03 . . . . . . . . . . 4766 1 1296 . 1 1 176 176 SER CB C 13 63.72 0.12 . . . . . . . . . . 4766 1 1297 . 1 1 176 176 SER H H 1 7.95 0.01 . . . . . . . . . . 4766 1 1298 . 1 1 176 176 SER HA H 1 4.36 0.02 . . . . . . . . . . 4766 1 1299 . 1 1 176 176 SER HB2 H 1 3.93 0.00 . . . . . . . . . . 4766 1 1300 . 1 1 176 176 SER HB3 H 1 3.79 0.03 . . . . . . . . . . 4766 1 1301 . 1 1 176 176 SER N N 15 117.51 0.09 . . . . . . . . . . 4766 1 1302 . 1 1 177 177 HIS CA C 13 53.68 0.03 . . . . . . . . . . 4766 1 1303 . 1 1 177 177 HIS CB C 13 30.74 0.00 . . . . . . . . . . 4766 1 1304 . 1 1 177 177 HIS H H 1 7.97 0.01 . . . . . . . . . . 4766 1 1305 . 1 1 177 177 HIS N N 15 122.76 0.04 . . . . . . . . . . 4766 1 1306 . 1 1 178 178 ARG C C 13 180.10 0.00 . . . . . . . . . . 4766 1 1307 . 1 1 178 178 ARG CA C 13 56.07 0.05 . . . . . . . . . . 4766 1 1308 . 1 1 178 178 ARG CB C 13 30.47 0.00 . . . . . . . . . . 4766 1 1309 . 1 1 178 178 ARG HA H 1 4.29 0.00 . . . . . . . . . . 4766 1 1310 . 1 1 178 178 ARG HB2 H 1 2.43 0.00 . . . . . . . . . . 4766 1 1311 . 1 1 178 178 ARG HB3 H 1 1.94 0.00 . . . . . . . . . . 4766 1 1312 . 1 1 179 179 TYR C C 13 174.74 0.00 . . . . . . . . . . 4766 1 1313 . 1 1 179 179 TYR CA C 13 57.48 0.04 . . . . . . . . . . 4766 1 1314 . 1 1 179 179 TYR CB C 13 38.64 0.05 . . . . . . . . . . 4766 1 1315 . 1 1 179 179 TYR H H 1 8.06 0.02 . . . . . . . . . . 4766 1 1316 . 1 1 179 179 TYR HA H 1 3.86 0.00 . . . . . . . . . . 4766 1 1317 . 1 1 179 179 TYR N N 15 122.24 0.07 . . . . . . . . . . 4766 1 1318 . 1 1 180 180 THR C C 13 174.28 0.04 . . . . . . . . . . 4766 1 1319 . 1 1 180 180 THR CA C 13 61.37 0.09 . . . . . . . . . . 4766 1 1320 . 1 1 180 180 THR CB C 13 69.68 0.07 . . . . . . . . . . 4766 1 1321 . 1 1 180 180 THR H H 1 7.82 0.01 . . . . . . . . . . 4766 1 1322 . 1 1 180 180 THR HA H 1 4.40 0.01 . . . . . . . . . . 4766 1 1323 . 1 1 180 180 THR HB H 1 3.77 0.00 . . . . . . . . . . 4766 1 1324 . 1 1 180 180 THR N N 15 116.94 0.06 . . . . . . . . . . 4766 1 1325 . 1 1 181 181 PHE C C 13 176.61 0.00 . . . . . . . . . . 4766 1 1326 . 1 1 181 181 PHE CA C 13 57.49 0.09 . . . . . . . . . . 4766 1 1327 . 1 1 181 181 PHE CB C 13 39.31 0.06 . . . . . . . . . . 4766 1 1328 . 1 1 181 181 PHE H H 1 8.03 0.01 . . . . . . . . . . 4766 1 1329 . 1 1 181 181 PHE HA H 1 4.62 0.00 . . . . . . . . . . 4766 1 1330 . 1 1 181 181 PHE HB2 H 1 2.76 0.00 . . . . . . . . . . 4766 1 1331 . 1 1 181 181 PHE N N 15 123.63 0.06 . . . . . . . . . . 4766 1 1332 . 1 1 182 182 ASN CA C 13 52.83 0.01 . . . . . . . . . . 4766 1 1333 . 1 1 182 182 ASN CB C 13 38.71 0.04 . . . . . . . . . . 4766 1 1334 . 1 1 182 182 ASN H H 1 8.18 0.00 . . . . . . . . . . 4766 1 1335 . 1 1 182 182 ASN HA H 1 4.66 0.00 . . . . . . . . . . 4766 1 1336 . 1 1 182 182 ASN N N 15 122.36 0.07 . . . . . . . . . . 4766 1 1337 . 1 1 183 183 SER C C 13 175.91 0.00 . . . . . . . . . . 4766 1 1338 . 1 1 183 183 SER CA C 13 58.54 0.04 . . . . . . . . . . 4766 1 1339 . 1 1 183 183 SER CB C 13 63.48 0.09 . . . . . . . . . . 4766 1 1340 . 1 1 183 183 SER H H 1 8.09 0.00 . . . . . . . . . . 4766 1 1341 . 1 1 183 183 SER HA H 1 4.08 0.00 . . . . . . . . . . 4766 1 1342 . 1 1 183 183 SER HB2 H 1 3.72 0.00 . . . . . . . . . . 4766 1 1343 . 1 1 183 183 SER N N 15 118.14 0.03 . . . . . . . . . . 4766 1 1344 . 1 1 184 184 ALA C C 13 178.78 0.00 . . . . . . . . . . 4766 1 1345 . 1 1 184 184 ALA CA C 13 52.47 0.04 . . . . . . . . . . 4766 1 1346 . 1 1 184 184 ALA CB C 13 18.99 0.03 . . . . . . . . . . 4766 1 1347 . 1 1 184 184 ALA H H 1 8.13 0.01 . . . . . . . . . . 4766 1 1348 . 1 1 184 184 ALA HA H 1 4.33 0.01 . . . . . . . . . . 4766 1 1349 . 1 1 184 184 ALA HB1 H 1 1.48 0.00 . . . . . . . . . . 4766 1 1350 . 1 1 184 184 ALA HB2 H 1 1.48 0.00 . . . . . . . . . . 4766 1 1351 . 1 1 184 184 ALA HB3 H 1 1.48 0.00 . . . . . . . . . . 4766 1 1352 . 1 1 184 184 ALA N N 15 126.83 0.04 . . . . . . . . . . 4766 1 1353 . 1 1 185 185 ILE C C 13 175.91 0.03 . . . . . . . . . . 4766 1 1354 . 1 1 185 185 ILE CA C 13 60.80 0.03 . . . . . . . . . . 4766 1 1355 . 1 1 185 185 ILE CB C 13 38.46 0.02 . . . . . . . . . . 4766 1 1356 . 1 1 185 185 ILE H H 1 7.76 0.01 . . . . . . . . . . 4766 1 1357 . 1 1 185 185 ILE HA H 1 3.99 0.01 . . . . . . . . . . 4766 1 1358 . 1 1 185 185 ILE HB H 1 1.64 0.00 . . . . . . . . . . 4766 1 1359 . 1 1 185 185 ILE N N 15 120.33 0.05 . . . . . . . . . . 4766 1 1360 . 1 1 186 186 MET C C 13 174.66 0.05 . . . . . . . . . . 4766 1 1361 . 1 1 186 186 MET CA C 13 54.93 0.02 . . . . . . . . . . 4766 1 1362 . 1 1 186 186 MET CB C 13 32.82 0.03 . . . . . . . . . . 4766 1 1363 . 1 1 186 186 MET H H 1 8.14 0.01 . . . . . . . . . . 4766 1 1364 . 1 1 186 186 MET HA H 1 4.27 0.00 . . . . . . . . . . 4766 1 1365 . 1 1 186 186 MET HB2 H 1 1.80 0.00 . . . . . . . . . . 4766 1 1366 . 1 1 186 186 MET HB3 H 1 1.69 0.00 . . . . . . . . . . 4766 1 1367 . 1 1 186 186 MET N N 15 125.83 0.06 . . . . . . . . . . 4766 1 1368 . 1 1 187 187 ILE C C 13 175.12 0.00 . . . . . . . . . . 4766 1 1369 . 1 1 187 187 ILE CA C 13 60.82 0.01 . . . . . . . . . . 4766 1 1370 . 1 1 187 187 ILE CB C 13 38.43 0.03 . . . . . . . . . . 4766 1 1371 . 1 1 187 187 ILE H H 1 7.97 0.05 . . . . . . . . . . 4766 1 1372 . 1 1 187 187 ILE HA H 1 4.09 0.00 . . . . . . . . . . 4766 1 1373 . 1 1 187 187 ILE HB H 1 1.80 0.00 . . . . . . . . . . 4766 1 1374 . 1 1 187 187 ILE N N 15 124.81 0.06 . . . . . . . . . . 4766 1 1375 . 1 1 188 188 LYS CA C 13 57.53 0.00 . . . . . . . . . . 4766 1 1376 . 1 1 188 188 LYS CB C 13 33.74 0.00 . . . . . . . . . . 4766 1 1377 . 1 1 188 188 LYS H H 1 7.82 0.01 . . . . . . . . . . 4766 1 1378 . 1 1 188 188 LYS N N 15 132.09 0.10 . . . . . . . . . . 4766 1 stop_ save_