data_6253 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6253 _Entry.Title ; 1H, 13C and 15N resonance assignment of human gamma S-crystallin, a 21-kDa eye-lens protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-06-28 _Entry.Accession_date 2004-06-28 _Entry.Last_release_date 2004-12-16 _Entry.Original_release_date 2004-12-16 _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 Carine Baraguey . . . 6253 2 Feriel Skouri-Panet . . . 6253 3 Annette Tardieu . . . 6253 4 Gerard Chassaing . . . 6253 5 Olivier Lequin . . . 6253 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6253 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 761 6253 '15N chemical shifts' 195 6253 '1H chemical shifts' 1057 6253 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2004-12-16 2004-06-28 original author . 6253 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6253 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 15N and 13C resonance assignment of human gamma S- crystallin, a 21-kDa eye-lens protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 385 _Citation.Page_last 386 _Citation.Year 2004 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Carine Baraguey . . . 6253 1 2 Feriel Skouri-Panet . . . 6253 1 3 Francois Bontems . . . 6253 1 4 Annette Tardieu . . . 6253 1 5 Gerard Chassaing . . . 6253 1 6 Olivier Lequin . . . 6253 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID cataract 6253 1 'gamma S-crystallin' 6253 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_crygS _Assembly.Sf_category assembly _Assembly.Sf_framecode system_crygS _Assembly.Entry_ID 6253 _Assembly.ID 1 _Assembly.Name gammaS-crystallin _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6253 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 'gamma S-crystallin' 1 $crygS . . . native . . . . . 6253 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID crygS abbreviation 6253 1 gammaS-crystallin system 6253 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_crygS _Entity.Sf_category entity _Entity.Sf_framecode crygS _Entity.Entry_ID 6253 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'single chain polypeptide' _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 ; SKTGTKITFYEDKNFQGRRY DCDSDCADFHTYLSRCNSIK VEGGTWAVYERPNFAGYMYI LPQGEYPEYQRWMGLNDRLS SCRAVHLPSGGQYKIQIFEK GDFSGQMYETTEDCPSIMEQ FHMREIHSCKVLEGVWIFYE LPNYRGRQYLLDKKEYRKPI DWGAASPAVQSFRRIVE ; _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 177 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20859.5 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Swissprot CRBS HUMAN P22914' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17576 . gamma-S-WT . . . . . 100.00 178 99.44 99.44 7.35e-129 . . . . 6253 1 2 no BMRB 17582 . gamma-S-G18V . . . . . 100.00 178 98.87 98.87 1.05e-127 . . . . 6253 1 3 no PDB 2M3T . "Solution-state Nmr Structure Of Wild-type Human Gamma(s)-crystallin" . . . . . 100.00 178 99.44 99.44 7.35e-129 . . . . 6253 1 4 no PDB 2M3U . "Solution-state Nmr Structure Of Cataract-related Human Gamma(s)- Crystallin Point Variant G18v" . . . . . 100.00 178 98.87 98.87 1.05e-127 . . . . 6253 1 5 no DBJ BAG36855 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 178 99.44 99.44 5.90e-129 . . . . 6253 1 6 no GB AAD45901 . "gammaS-crystallin [Homo sapiens]" . . . . . 100.00 178 99.44 99.44 5.90e-129 . . . . 6253 1 7 no GB AAF72490 . "gammaS-crystallin [Homo sapiens]" . . . . . 100.00 178 99.44 99.44 5.90e-129 . . . . 6253 1 8 no GB AAH69478 . "Crystallin, gamma S [Homo sapiens]" . . . . . 100.00 178 99.44 99.44 5.90e-129 . . . . 6253 1 9 no GB AAH70241 . "Crystallin, gamma S [Homo sapiens]" . . . . . 100.00 178 99.44 99.44 5.90e-129 . . . . 6253 1 10 no GB ADQ32938 . "crystallin, gamma S [synthetic construct]" . . . . . 100.00 178 99.44 99.44 5.90e-129 . . . . 6253 1 11 no REF NP_060011 . "beta-crystallin S [Homo sapiens]" . . . . . 100.00 178 99.44 99.44 5.90e-129 . . . . 6253 1 12 no REF XP_001092090 . "PREDICTED: beta-crystallin S isoform 1 [Macaca mulatta]" . . . . . 100.00 178 98.31 98.87 8.51e-128 . . . . 6253 1 13 no REF XP_002758251 . "PREDICTED: beta-crystallin S isoform X1 [Callithrix jacchus]" . . . . . 100.00 178 97.74 99.44 9.92e-128 . . . . 6253 1 14 no REF XP_003256655 . "PREDICTED: beta-crystallin S isoform 1 [Nomascus leucogenys]" . . . . . 100.00 178 98.31 98.87 1.75e-127 . . . . 6253 1 15 no REF XP_003894751 . "PREDICTED: beta-crystallin S [Papio anubis]" . . . . . 100.00 178 98.31 98.87 8.51e-128 . . . . 6253 1 16 no SP P22914 . "RecName: Full=Beta-crystallin S; AltName: Full=Gamma-S-crystallin; AltName: Full=Gamma-crystallin S [Homo sapiens]" . . . . . 100.00 178 99.44 99.44 5.90e-129 . . . . 6253 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID C24S variant 6253 1 crygS abbreviation 6253 1 'single chain polypeptide' common 6253 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 . SER . 6253 1 2 . LYS . 6253 1 3 . THR . 6253 1 4 . GLY . 6253 1 5 . THR . 6253 1 6 . LYS . 6253 1 7 . ILE . 6253 1 8 . THR . 6253 1 9 . PHE . 6253 1 10 . TYR . 6253 1 11 . GLU . 6253 1 12 . ASP . 6253 1 13 . LYS . 6253 1 14 . ASN . 6253 1 15 . PHE . 6253 1 16 . GLN . 6253 1 17 . GLY . 6253 1 18 . ARG . 6253 1 19 . ARG . 6253 1 20 . TYR . 6253 1 21 . ASP . 6253 1 22 . CYS . 6253 1 23 . ASP . 6253 1 24 . SER . 6253 1 25 . ASP . 6253 1 26 . CYS . 6253 1 27 . ALA . 6253 1 28 . ASP . 6253 1 29 . PHE . 6253 1 30 . HIS . 6253 1 31 . THR . 6253 1 32 . TYR . 6253 1 33 . LEU . 6253 1 34 . SER . 6253 1 35 . ARG . 6253 1 36 . CYS . 6253 1 37 . ASN . 6253 1 38 . SER . 6253 1 39 . ILE . 6253 1 40 . LYS . 6253 1 41 . VAL . 6253 1 42 . GLU . 6253 1 43 . GLY . 6253 1 44 . GLY . 6253 1 45 . THR . 6253 1 46 . TRP . 6253 1 47 . ALA . 6253 1 48 . VAL . 6253 1 49 . TYR . 6253 1 50 . GLU . 6253 1 51 . ARG . 6253 1 52 . PRO . 6253 1 53 . ASN . 6253 1 54 . PHE . 6253 1 55 . ALA . 6253 1 56 . GLY . 6253 1 57 . TYR . 6253 1 58 . MET . 6253 1 59 . TYR . 6253 1 60 . ILE . 6253 1 61 . LEU . 6253 1 62 . PRO . 6253 1 63 . GLN . 6253 1 64 . GLY . 6253 1 65 . GLU . 6253 1 66 . TYR . 6253 1 67 . PRO . 6253 1 68 . GLU . 6253 1 69 . TYR . 6253 1 70 . GLN . 6253 1 71 . ARG . 6253 1 72 . TRP . 6253 1 73 . MET . 6253 1 74 . GLY . 6253 1 75 . LEU . 6253 1 76 . ASN . 6253 1 77 . ASP . 6253 1 78 . ARG . 6253 1 79 . LEU . 6253 1 80 . SER . 6253 1 81 . SER . 6253 1 82 . CYS . 6253 1 83 . ARG . 6253 1 84 . ALA . 6253 1 85 . VAL . 6253 1 86 . HIS . 6253 1 87 . LEU . 6253 1 88 . PRO . 6253 1 89 . SER . 6253 1 90 . GLY . 6253 1 91 . GLY . 6253 1 92 . GLN . 6253 1 93 . TYR . 6253 1 94 . LYS . 6253 1 95 . ILE . 6253 1 96 . GLN . 6253 1 97 . ILE . 6253 1 98 . PHE . 6253 1 99 . GLU . 6253 1 100 . LYS . 6253 1 101 . GLY . 6253 1 102 . ASP . 6253 1 103 . PHE . 6253 1 104 . SER . 6253 1 105 . GLY . 6253 1 106 . GLN . 6253 1 107 . MET . 6253 1 108 . TYR . 6253 1 109 . GLU . 6253 1 110 . THR . 6253 1 111 . THR . 6253 1 112 . GLU . 6253 1 113 . ASP . 6253 1 114 . CYS . 6253 1 115 . PRO . 6253 1 116 . SER . 6253 1 117 . ILE . 6253 1 118 . MET . 6253 1 119 . GLU . 6253 1 120 . GLN . 6253 1 121 . PHE . 6253 1 122 . HIS . 6253 1 123 . MET . 6253 1 124 . ARG . 6253 1 125 . GLU . 6253 1 126 . ILE . 6253 1 127 . HIS . 6253 1 128 . SER . 6253 1 129 . CYS . 6253 1 130 . LYS . 6253 1 131 . VAL . 6253 1 132 . LEU . 6253 1 133 . GLU . 6253 1 134 . GLY . 6253 1 135 . VAL . 6253 1 136 . TRP . 6253 1 137 . ILE . 6253 1 138 . PHE . 6253 1 139 . TYR . 6253 1 140 . GLU . 6253 1 141 . LEU . 6253 1 142 . PRO . 6253 1 143 . ASN . 6253 1 144 . TYR . 6253 1 145 . ARG . 6253 1 146 . GLY . 6253 1 147 . ARG . 6253 1 148 . GLN . 6253 1 149 . TYR . 6253 1 150 . LEU . 6253 1 151 . LEU . 6253 1 152 . ASP . 6253 1 153 . LYS . 6253 1 154 . LYS . 6253 1 155 . GLU . 6253 1 156 . TYR . 6253 1 157 . ARG . 6253 1 158 . LYS . 6253 1 159 . PRO . 6253 1 160 . ILE . 6253 1 161 . ASP . 6253 1 162 . TRP . 6253 1 163 . GLY . 6253 1 164 . ALA . 6253 1 165 . ALA . 6253 1 166 . SER . 6253 1 167 . PRO . 6253 1 168 . ALA . 6253 1 169 . VAL . 6253 1 170 . GLN . 6253 1 171 . SER . 6253 1 172 . PHE . 6253 1 173 . ARG . 6253 1 174 . ARG . 6253 1 175 . ILE . 6253 1 176 . VAL . 6253 1 177 . GLU . 6253 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 . SER 1 1 6253 1 . LYS 2 2 6253 1 . THR 3 3 6253 1 . GLY 4 4 6253 1 . THR 5 5 6253 1 . LYS 6 6 6253 1 . ILE 7 7 6253 1 . THR 8 8 6253 1 . PHE 9 9 6253 1 . TYR 10 10 6253 1 . GLU 11 11 6253 1 . ASP 12 12 6253 1 . LYS 13 13 6253 1 . ASN 14 14 6253 1 . PHE 15 15 6253 1 . GLN 16 16 6253 1 . GLY 17 17 6253 1 . ARG 18 18 6253 1 . ARG 19 19 6253 1 . TYR 20 20 6253 1 . ASP 21 21 6253 1 . CYS 22 22 6253 1 . ASP 23 23 6253 1 . SER 24 24 6253 1 . ASP 25 25 6253 1 . CYS 26 26 6253 1 . ALA 27 27 6253 1 . ASP 28 28 6253 1 . PHE 29 29 6253 1 . HIS 30 30 6253 1 . THR 31 31 6253 1 . TYR 32 32 6253 1 . LEU 33 33 6253 1 . SER 34 34 6253 1 . ARG 35 35 6253 1 . CYS 36 36 6253 1 . ASN 37 37 6253 1 . SER 38 38 6253 1 . ILE 39 39 6253 1 . LYS 40 40 6253 1 . VAL 41 41 6253 1 . GLU 42 42 6253 1 . GLY 43 43 6253 1 . GLY 44 44 6253 1 . THR 45 45 6253 1 . TRP 46 46 6253 1 . ALA 47 47 6253 1 . VAL 48 48 6253 1 . TYR 49 49 6253 1 . GLU 50 50 6253 1 . ARG 51 51 6253 1 . PRO 52 52 6253 1 . ASN 53 53 6253 1 . PHE 54 54 6253 1 . ALA 55 55 6253 1 . GLY 56 56 6253 1 . TYR 57 57 6253 1 . MET 58 58 6253 1 . TYR 59 59 6253 1 . ILE 60 60 6253 1 . LEU 61 61 6253 1 . PRO 62 62 6253 1 . GLN 63 63 6253 1 . GLY 64 64 6253 1 . GLU 65 65 6253 1 . TYR 66 66 6253 1 . PRO 67 67 6253 1 . GLU 68 68 6253 1 . TYR 69 69 6253 1 . GLN 70 70 6253 1 . ARG 71 71 6253 1 . TRP 72 72 6253 1 . MET 73 73 6253 1 . GLY 74 74 6253 1 . LEU 75 75 6253 1 . ASN 76 76 6253 1 . ASP 77 77 6253 1 . ARG 78 78 6253 1 . LEU 79 79 6253 1 . SER 80 80 6253 1 . SER 81 81 6253 1 . CYS 82 82 6253 1 . ARG 83 83 6253 1 . ALA 84 84 6253 1 . VAL 85 85 6253 1 . HIS 86 86 6253 1 . LEU 87 87 6253 1 . PRO 88 88 6253 1 . SER 89 89 6253 1 . GLY 90 90 6253 1 . GLY 91 91 6253 1 . GLN 92 92 6253 1 . TYR 93 93 6253 1 . LYS 94 94 6253 1 . ILE 95 95 6253 1 . GLN 96 96 6253 1 . ILE 97 97 6253 1 . PHE 98 98 6253 1 . GLU 99 99 6253 1 . LYS 100 100 6253 1 . GLY 101 101 6253 1 . ASP 102 102 6253 1 . PHE 103 103 6253 1 . SER 104 104 6253 1 . GLY 105 105 6253 1 . GLN 106 106 6253 1 . MET 107 107 6253 1 . TYR 108 108 6253 1 . GLU 109 109 6253 1 . THR 110 110 6253 1 . THR 111 111 6253 1 . GLU 112 112 6253 1 . ASP 113 113 6253 1 . CYS 114 114 6253 1 . PRO 115 115 6253 1 . SER 116 116 6253 1 . ILE 117 117 6253 1 . MET 118 118 6253 1 . GLU 119 119 6253 1 . GLN 120 120 6253 1 . PHE 121 121 6253 1 . HIS 122 122 6253 1 . MET 123 123 6253 1 . ARG 124 124 6253 1 . GLU 125 125 6253 1 . ILE 126 126 6253 1 . HIS 127 127 6253 1 . SER 128 128 6253 1 . CYS 129 129 6253 1 . LYS 130 130 6253 1 . VAL 131 131 6253 1 . LEU 132 132 6253 1 . GLU 133 133 6253 1 . GLY 134 134 6253 1 . VAL 135 135 6253 1 . TRP 136 136 6253 1 . ILE 137 137 6253 1 . PHE 138 138 6253 1 . TYR 139 139 6253 1 . GLU 140 140 6253 1 . LEU 141 141 6253 1 . PRO 142 142 6253 1 . ASN 143 143 6253 1 . TYR 144 144 6253 1 . ARG 145 145 6253 1 . GLY 146 146 6253 1 . ARG 147 147 6253 1 . GLN 148 148 6253 1 . TYR 149 149 6253 1 . LEU 150 150 6253 1 . LEU 151 151 6253 1 . ASP 152 152 6253 1 . LYS 153 153 6253 1 . LYS 154 154 6253 1 . GLU 155 155 6253 1 . TYR 156 156 6253 1 . ARG 157 157 6253 1 . LYS 158 158 6253 1 . PRO 159 159 6253 1 . ILE 160 160 6253 1 . ASP 161 161 6253 1 . TRP 162 162 6253 1 . GLY 163 163 6253 1 . ALA 164 164 6253 1 . ALA 165 165 6253 1 . SER 166 166 6253 1 . PRO 167 167 6253 1 . ALA 168 168 6253 1 . VAL 169 169 6253 1 . GLN 170 170 6253 1 . SER 171 171 6253 1 . PHE 172 172 6253 1 . ARG 173 173 6253 1 . ARG 174 174 6253 1 . ILE 175 175 6253 1 . VAL 176 176 6253 1 . GLU 177 177 6253 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 6253 _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 $crygS . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6253 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 6253 _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 $crygS . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . plasmid . . pET3a . . . . . . 6253 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6253 _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 'single chain polypeptide' '[U-15N; U-13C]' . . 1 $crygS . . . 1 2 mM . . . . 6253 1 2 'sodium phosphate' . . . . . . . 13.3 . . mM . . . . 6253 1 3 KCl . . . . . . . 30 . . mM . . . . 6253 1 4 EDTA . . . . . . . 0.3 . . mM . . . . 6253 1 5 DTT . . . . . . . 0.3 . . mM . . . . 6253 1 6 DSS . . . . . . . 0.1 . . mM . . . . 6253 1 7 NaN3 . . . . . . . 0.02 . . '% (w/v)' . . . . 6253 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6253 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 0.005 M 6253 1 pH 6 0.2 n/a 6253 1 temperature 310 2 K 6253 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6253 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 6253 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6253 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6253 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DMX . 500 . . . 6253 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 6253 _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 '3D 1H-15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6253 1 2 '3D 1H-15N TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6253 1 3 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6253 1 4 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6253 1 5 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6253 1 6 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6253 1 7 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6253 1 8 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6253 1 9 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6253 1 10 '3D 1H-13C NOESY-HMQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6253 1 11 (HB)CB(CGCD)HD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6253 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 6253 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 1H-15N NOESY-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 6253 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 1H-15N TOCSY-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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6253 _NMR_spec_expt.ID 3 _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6253 _NMR_spec_expt.ID 4 _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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6253 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6253 _NMR_spec_expt.ID 6 _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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6253 _NMR_spec_expt.ID 7 _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_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6253 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6253 _NMR_spec_expt.ID 9 _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_ 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 6253 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D 1H-13C NOESY-HMQC' _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_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 6253 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name (HB)CB(CGCD)HD _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 6253 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6253 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6253 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6253 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 6253 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_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 . 6253 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 2 2 LYS CA C 13 56.500 0.1 . 1 . . . . . . . . 6253 1 2 . 1 1 2 2 LYS HA H 1 4.471 0.02 . 1 . . . . . . . . 6253 1 3 . 1 1 2 2 LYS CB C 13 32.950 0.1 . 1 . . . . . . . . 6253 1 4 . 1 1 2 2 LYS HB2 H 1 1.904 0.02 . 1 . . . . . . . . 6253 1 5 . 1 1 2 2 LYS HB3 H 1 1.832 0.02 . 1 . . . . . . . . 6253 1 6 . 1 1 2 2 LYS CG C 13 24.570 0.1 . 1 . . . . . . . . 6253 1 7 . 1 1 2 2 LYS HG2 H 1 1.460 0.02 . 1 . . . . . . . . 6253 1 8 . 1 1 2 2 LYS CD C 13 28.945 0.1 . 1 . . . . . . . . 6253 1 9 . 1 1 2 2 LYS HD2 H 1 1.690 0.02 . 1 . . . . . . . . 6253 1 10 . 1 1 2 2 LYS CE C 13 41.797 0.1 . 1 . . . . . . . . 6253 1 11 . 1 1 2 2 LYS HE2 H 1 2.987 0.02 . 1 . . . . . . . . 6253 1 12 . 1 1 2 2 LYS C C 13 176.884 0.1 . 1 . . . . . . . . 6253 1 13 . 1 1 3 3 THR N N 15 114.489 0.1 . 1 . . . . . . . . 6253 1 14 . 1 1 3 3 THR H H 1 8.205 0.02 . 1 . . . . . . . . 6253 1 15 . 1 1 3 3 THR CA C 13 61.700 0.1 . 1 . . . . . . . . 6253 1 16 . 1 1 3 3 THR HA H 1 4.398 0.02 . 1 . . . . . . . . 6253 1 17 . 1 1 3 3 THR CB C 13 69.740 0.1 . 1 . . . . . . . . 6253 1 18 . 1 1 3 3 THR HB H 1 4.280 0.02 . 1 . . . . . . . . 6253 1 19 . 1 1 3 3 THR HG21 H 1 1.234 0.02 . 1 . . . . . . . . 6253 1 20 . 1 1 3 3 THR HG22 H 1 1.234 0.02 . 1 . . . . . . . . 6253 1 21 . 1 1 3 3 THR HG23 H 1 1.234 0.02 . 1 . . . . . . . . 6253 1 22 . 1 1 3 3 THR CG2 C 13 21.510 0.1 . 1 . . . . . . . . 6253 1 23 . 1 1 3 3 THR C C 13 175.132 0.1 . 1 . . . . . . . . 6253 1 24 . 1 1 4 4 GLY N N 15 110.934 0.1 . 1 . . . . . . . . 6253 1 25 . 1 1 4 4 GLY H H 1 8.273 0.02 . 1 . . . . . . . . 6253 1 26 . 1 1 4 4 GLY CA C 13 45.111 0.1 . 1 . . . . . . . . 6253 1 27 . 1 1 4 4 GLY HA2 H 1 3.984 0.02 . 1 . . . . . . . . 6253 1 28 . 1 1 4 4 GLY C C 13 173.649 0.1 . 1 . . . . . . . . 6253 1 29 . 1 1 5 5 THR N N 15 114.055 0.1 . 1 . . . . . . . . 6253 1 30 . 1 1 5 5 THR H H 1 8.006 0.02 . 1 . . . . . . . . 6253 1 31 . 1 1 5 5 THR CA C 13 59.842 0.1 . 1 . . . . . . . . 6253 1 32 . 1 1 5 5 THR HA H 1 4.547 0.02 . 1 . . . . . . . . 6253 1 33 . 1 1 5 5 THR CB C 13 69.760 0.1 . 1 . . . . . . . . 6253 1 34 . 1 1 5 5 THR HB H 1 4.112 0.02 . 1 . . . . . . . . 6253 1 35 . 1 1 5 5 THR HG21 H 1 1.028 0.02 . 1 . . . . . . . . 6253 1 36 . 1 1 5 5 THR HG22 H 1 1.028 0.02 . 1 . . . . . . . . 6253 1 37 . 1 1 5 5 THR HG23 H 1 1.028 0.02 . 1 . . . . . . . . 6253 1 38 . 1 1 5 5 THR CG2 C 13 20.630 0.1 . 1 . . . . . . . . 6253 1 39 . 1 1 5 5 THR C C 13 173.574 0.1 . 1 . . . . . . . . 6253 1 40 . 1 1 6 6 LYS N N 15 124.921 0.1 . 1 . . . . . . . . 6253 1 41 . 1 1 6 6 LYS H H 1 8.517 0.02 . 1 . . . . . . . . 6253 1 42 . 1 1 6 6 LYS CA C 13 56.283 0.1 . 1 . . . . . . . . 6253 1 43 . 1 1 6 6 LYS HA H 1 5.030 0.02 . 1 . . . . . . . . 6253 1 44 . 1 1 6 6 LYS CB C 13 35.700 0.1 . 1 . . . . . . . . 6253 1 45 . 1 1 6 6 LYS HB2 H 1 1.666 0.02 . 1 . . . . . . . . 6253 1 46 . 1 1 6 6 LYS CG C 13 24.296 0.1 . 1 . . . . . . . . 6253 1 47 . 1 1 6 6 LYS HG2 H 1 1.209 0.02 . 1 . . . . . . . . 6253 1 48 . 1 1 6 6 LYS CD C 13 28.871 0.1 . 1 . . . . . . . . 6253 1 49 . 1 1 6 6 LYS HD2 H 1 1.488 0.02 . 1 . . . . . . . . 6253 1 50 . 1 1 6 6 LYS CE C 13 41.523 0.1 . 1 . . . . . . . . 6253 1 51 . 1 1 6 6 LYS HE2 H 1 2.736 0.02 . 1 . . . . . . . . 6253 1 52 . 1 1 6 6 LYS C C 13 172.515 0.1 . 1 . . . . . . . . 6253 1 53 . 1 1 7 7 ILE N N 15 125.415 0.1 . 1 . . . . . . . . 6253 1 54 . 1 1 7 7 ILE H H 1 8.408 0.02 . 1 . . . . . . . . 6253 1 55 . 1 1 7 7 ILE CA C 13 59.300 0.1 . 1 . . . . . . . . 6253 1 56 . 1 1 7 7 ILE HA H 1 4.504 0.02 . 1 . . . . . . . . 6253 1 57 . 1 1 7 7 ILE CB C 13 41.996 0.1 . 1 . . . . . . . . 6253 1 58 . 1 1 7 7 ILE HB H 1 -0.346 0.02 . 1 . . . . . . . . 6253 1 59 . 1 1 7 7 ILE HG21 H 1 -0.048 0.02 . 1 . . . . . . . . 6253 1 60 . 1 1 7 7 ILE HG22 H 1 -0.048 0.02 . 1 . . . . . . . . 6253 1 61 . 1 1 7 7 ILE HG23 H 1 -0.048 0.02 . 1 . . . . . . . . 6253 1 62 . 1 1 7 7 ILE CG2 C 13 15.273 0.1 . 1 . . . . . . . . 6253 1 63 . 1 1 7 7 ILE CG1 C 13 27.778 0.1 . 1 . . . . . . . . 6253 1 64 . 1 1 7 7 ILE HG12 H 1 0.550 0.02 . 1 . . . . . . . . 6253 1 65 . 1 1 7 7 ILE HG13 H 1 -0.769 0.02 . 1 . . . . . . . . 6253 1 66 . 1 1 7 7 ILE HD11 H 1 -0.542 0.02 . 1 . . . . . . . . 6253 1 67 . 1 1 7 7 ILE HD12 H 1 -0.542 0.02 . 1 . . . . . . . . 6253 1 68 . 1 1 7 7 ILE HD13 H 1 -0.542 0.02 . 1 . . . . . . . . 6253 1 69 . 1 1 7 7 ILE CD1 C 13 13.906 0.1 . 1 . . . . . . . . 6253 1 70 . 1 1 7 7 ILE C C 13 171.283 0.1 . 1 . . . . . . . . 6253 1 71 . 1 1 8 8 THR N N 15 121.934 0.1 . 1 . . . . . . . . 6253 1 72 . 1 1 8 8 THR H H 1 8.299 0.02 . 1 . . . . . . . . 6253 1 73 . 1 1 8 8 THR CA C 13 61.400 0.1 . 1 . . . . . . . . 6253 1 74 . 1 1 8 8 THR HA H 1 4.587 0.02 . 1 . . . . . . . . 6253 1 75 . 1 1 8 8 THR CB C 13 70.920 0.1 . 1 . . . . . . . . 6253 1 76 . 1 1 8 8 THR HB H 1 3.517 0.02 . 1 . . . . . . . . 6253 1 77 . 1 1 8 8 THR HG21 H 1 0.565 0.02 . 1 . . . . . . . . 6253 1 78 . 1 1 8 8 THR HG22 H 1 0.565 0.02 . 1 . . . . . . . . 6253 1 79 . 1 1 8 8 THR HG23 H 1 0.565 0.02 . 1 . . . . . . . . 6253 1 80 . 1 1 8 8 THR CG2 C 13 21.860 0.1 . 1 . . . . . . . . 6253 1 81 . 1 1 8 8 THR C C 13 171.968 0.1 . 1 . . . . . . . . 6253 1 82 . 1 1 9 9 PHE N N 15 125.254 0.1 . 1 . . . . . . . . 6253 1 83 . 1 1 9 9 PHE H H 1 8.653 0.02 . 1 . . . . . . . . 6253 1 84 . 1 1 9 9 PHE CA C 13 56.600 0.1 . 1 . . . . . . . . 6253 1 85 . 1 1 9 9 PHE HA H 1 4.653 0.02 . 1 . . . . . . . . 6253 1 86 . 1 1 9 9 PHE CB C 13 42.053 0.1 . 1 . . . . . . . . 6253 1 87 . 1 1 9 9 PHE HB2 H 1 3.146 0.02 . 1 . . . . . . . . 6253 1 88 . 1 1 9 9 PHE HB3 H 1 2.583 0.02 . 1 . . . . . . . . 6253 1 89 . 1 1 9 9 PHE CD1 C 13 132.060 0.1 . 1 . . . . . . . . 6253 1 90 . 1 1 9 9 PHE CE1 C 13 130.652 0.1 . 1 . . . . . . . . 6253 1 91 . 1 1 9 9 PHE CZ C 13 130.248 0.1 . 1 . . . . . . . . 6253 1 92 . 1 1 9 9 PHE HZ H 1 6.386 0.02 . 1 . . . . . . . . 6253 1 93 . 1 1 9 9 PHE HD1 H 1 7.056 0.02 . 1 . . . . . . . . 6253 1 94 . 1 1 9 9 PHE HE1 H 1 6.865 0.02 . 1 . . . . . . . . 6253 1 95 . 1 1 9 9 PHE C C 13 174.398 0.1 . 1 . . . . . . . . 6253 1 96 . 1 1 10 10 TYR N N 15 118.060 0.1 . 1 . . . . . . . . 6253 1 97 . 1 1 10 10 TYR H H 1 8.989 0.02 . 1 . . . . . . . . 6253 1 98 . 1 1 10 10 TYR CA C 13 56.800 0.1 . 1 . . . . . . . . 6253 1 99 . 1 1 10 10 TYR HA H 1 5.483 0.02 . 1 . . . . . . . . 6253 1 100 . 1 1 10 10 TYR CB C 13 39.553 0.1 . 1 . . . . . . . . 6253 1 101 . 1 1 10 10 TYR HB2 H 1 3.396 0.02 . 1 . . . . . . . . 6253 1 102 . 1 1 10 10 TYR HB3 H 1 3.226 0.02 . 1 . . . . . . . . 6253 1 103 . 1 1 10 10 TYR C C 13 178.127 0.1 . 1 . . . . . . . . 6253 1 104 . 1 1 11 11 GLU N N 15 120.911 0.1 . 1 . . . . . . . . 6253 1 105 . 1 1 11 11 GLU H H 1 9.149 0.02 . 1 . . . . . . . . 6253 1 106 . 1 1 11 11 GLU CA C 13 58.800 0.1 . 1 . . . . . . . . 6253 1 107 . 1 1 11 11 GLU HA H 1 4.728 0.02 . 1 . . . . . . . . 6253 1 108 . 1 1 11 11 GLU CB C 13 31.950 0.1 . 1 . . . . . . . . 6253 1 109 . 1 1 11 11 GLU HB2 H 1 2.255 0.02 . 1 . . . . . . . . 6253 1 110 . 1 1 11 11 GLU HB3 H 1 2.175 0.02 . 1 . . . . . . . . 6253 1 111 . 1 1 11 11 GLU CG C 13 38.242 0.1 . 1 . . . . . . . . 6253 1 112 . 1 1 11 11 GLU HG2 H 1 2.737 0.02 . 1 . . . . . . . . 6253 1 113 . 1 1 11 11 GLU CD C 13 183.867 0.1 . 1 . . . . . . . . 6253 1 114 . 1 1 11 11 GLU C C 13 176.821 0.1 . 1 . . . . . . . . 6253 1 115 . 1 1 12 12 ASP N N 15 115.331 0.1 . 1 . . . . . . . . 6253 1 116 . 1 1 12 12 ASP H H 1 8.049 0.02 . 1 . . . . . . . . 6253 1 117 . 1 1 12 12 ASP CA C 13 52.400 0.1 . 1 . . . . . . . . 6253 1 118 . 1 1 12 12 ASP HA H 1 5.379 0.02 . 1 . . . . . . . . 6253 1 119 . 1 1 12 12 ASP CB C 13 43.930 0.1 . 1 . . . . . . . . 6253 1 120 . 1 1 12 12 ASP HB2 H 1 2.762 0.02 . 1 . . . . . . . . 6253 1 121 . 1 1 12 12 ASP HB3 H 1 2.349 0.02 . 1 . . . . . . . . 6253 1 122 . 1 1 12 12 ASP CG C 13 180.390 0.1 . 1 . . . . . . . . 6253 1 123 . 1 1 12 12 ASP C C 13 175.910 0.1 . 1 . . . . . . . . 6253 1 124 . 1 1 13 13 LYS N N 15 118.157 0.1 . 1 . . . . . . . . 6253 1 125 . 1 1 13 13 LYS H H 1 8.557 0.02 . 1 . . . . . . . . 6253 1 126 . 1 1 13 13 LYS CA C 13 56.764 0.1 . 1 . . . . . . . . 6253 1 127 . 1 1 13 13 LYS HA H 1 3.897 0.02 . 1 . . . . . . . . 6253 1 128 . 1 1 13 13 LYS CB C 13 33.831 0.1 . 1 . . . . . . . . 6253 1 129 . 1 1 13 13 LYS HB2 H 1 1.873 0.02 . 1 . . . . . . . . 6253 1 130 . 1 1 13 13 LYS HB3 H 1 1.766 0.02 . 1 . . . . . . . . 6253 1 131 . 1 1 13 13 LYS CG C 13 26.080 0.1 . 1 . . . . . . . . 6253 1 132 . 1 1 13 13 LYS HG2 H 1 1.728 0.02 . 1 . . . . . . . . 6253 1 133 . 1 1 13 13 LYS HG3 H 1 1.486 0.02 . 1 . . . . . . . . 6253 1 134 . 1 1 13 13 LYS CD C 13 29.700 0.1 . 1 . . . . . . . . 6253 1 135 . 1 1 13 13 LYS HD2 H 1 1.690 0.02 . 1 . . . . . . . . 6253 1 136 . 1 1 13 13 LYS CE C 13 41.797 0.1 . 1 . . . . . . . . 6253 1 137 . 1 1 13 13 LYS HE2 H 1 2.986 0.02 . 1 . . . . . . . . 6253 1 138 . 1 1 13 13 LYS C C 13 176.977 0.1 . 1 . . . . . . . . 6253 1 139 . 1 1 14 14 ASN N N 15 113.148 0.1 . 1 . . . . . . . . 6253 1 140 . 1 1 14 14 ASN H H 1 9.206 0.02 . 1 . . . . . . . . 6253 1 141 . 1 1 14 14 ASN CA C 13 54.360 0.1 . 1 . . . . . . . . 6253 1 142 . 1 1 14 14 ASN HA H 1 3.172 0.02 . 1 . . . . . . . . 6253 1 143 . 1 1 14 14 ASN CB C 13 36.761 0.1 . 1 . . . . . . . . 6253 1 144 . 1 1 14 14 ASN HB2 H 1 2.835 0.02 . 1 . . . . . . . . 6253 1 145 . 1 1 14 14 ASN HB3 H 1 2.541 0.02 . 1 . . . . . . . . 6253 1 146 . 1 1 14 14 ASN CG C 13 178.014 0.1 . 1 . . . . . . . . 6253 1 147 . 1 1 14 14 ASN ND2 N 15 112.382 0.1 . 1 . . . . . . . . 6253 1 148 . 1 1 14 14 ASN HD21 H 1 7.398 0.02 . 1 . . . . . . . . 6253 1 149 . 1 1 14 14 ASN HD22 H 1 6.708 0.02 . 1 . . . . . . . . 6253 1 150 . 1 1 14 14 ASN C C 13 173.694 0.1 . 1 . . . . . . . . 6253 1 151 . 1 1 15 15 PHE N N 15 112.215 0.1 . 1 . . . . . . . . 6253 1 152 . 1 1 15 15 PHE H H 1 7.965 0.02 . 1 . . . . . . . . 6253 1 153 . 1 1 15 15 PHE CA C 13 55.805 0.1 . 1 . . . . . . . . 6253 1 154 . 1 1 15 15 PHE HA H 1 2.839 0.02 . 1 . . . . . . . . 6253 1 155 . 1 1 15 15 PHE CB C 13 34.857 0.1 . 1 . . . . . . . . 6253 1 156 . 1 1 15 15 PHE HB2 H 1 2.983 0.02 . 1 . . . . . . . . 6253 1 157 . 1 1 15 15 PHE HB3 H 1 2.043 0.02 . 1 . . . . . . . . 6253 1 158 . 1 1 15 15 PHE CD1 C 13 131.911 0.1 . 1 . . . . . . . . 6253 1 159 . 1 1 15 15 PHE CE1 C 13 131.240 0.1 . 1 . . . . . . . . 6253 1 160 . 1 1 15 15 PHE HD1 H 1 6.796 0.02 . 1 . . . . . . . . 6253 1 161 . 1 1 15 15 PHE HE1 H 1 7.274 0.02 . 1 . . . . . . . . 6253 1 162 . 1 1 15 15 PHE C C 13 174.757 0.1 . 1 . . . . . . . . 6253 1 163 . 1 1 16 16 GLN N N 15 116.706 0.1 . 1 . . . . . . . . 6253 1 164 . 1 1 16 16 GLN H H 1 6.251 0.02 . 1 . . . . . . . . 6253 1 165 . 1 1 16 16 GLN CA C 13 53.420 0.1 . 1 . . . . . . . . 6253 1 166 . 1 1 16 16 GLN HA H 1 4.655 0.02 . 1 . . . . . . . . 6253 1 167 . 1 1 16 16 GLN CB C 13 31.670 0.1 . 1 . . . . . . . . 6253 1 168 . 1 1 16 16 GLN HB2 H 1 2.248 0.02 . 1 . . . . . . . . 6253 1 169 . 1 1 16 16 GLN HB3 H 1 1.817 0.02 . 1 . . . . . . . . 6253 1 170 . 1 1 16 16 GLN CG C 13 33.600 0.1 . 1 . . . . . . . . 6253 1 171 . 1 1 16 16 GLN HG2 H 1 2.322 0.02 . 1 . . . . . . . . 6253 1 172 . 1 1 16 16 GLN CD C 13 181.228 0.1 . 1 . . . . . . . . 6253 1 173 . 1 1 16 16 GLN NE2 N 15 112.619 0.1 . 1 . . . . . . . . 6253 1 174 . 1 1 16 16 GLN HE21 H 1 7.182 0.02 . 1 . . . . . . . . 6253 1 175 . 1 1 16 16 GLN HE22 H 1 6.824 0.02 . 1 . . . . . . . . 6253 1 176 . 1 1 16 16 GLN C C 13 174.608 0.1 . 1 . . . . . . . . 6253 1 177 . 1 1 17 17 GLY N N 15 105.257 0.1 . 1 . . . . . . . . 6253 1 178 . 1 1 17 17 GLY H H 1 8.281 0.02 . 1 . . . . . . . . 6253 1 179 . 1 1 17 17 GLY CA C 13 44.197 0.1 . 1 . . . . . . . . 6253 1 180 . 1 1 17 17 GLY HA2 H 1 3.851 0.02 . 1 . . . . . . . . 6253 1 181 . 1 1 17 17 GLY HA3 H 1 4.530 0.02 . 1 . . . . . . . . 6253 1 182 . 1 1 17 17 GLY C C 13 174.740 0.1 . 1 . . . . . . . . 6253 1 183 . 1 1 18 18 ARG N N 15 119.525 0.1 . 1 . . . . . . . . 6253 1 184 . 1 1 18 18 ARG H H 1 8.462 0.02 . 1 . . . . . . . . 6253 1 185 . 1 1 18 18 ARG CA C 13 57.983 0.1 . 1 . . . . . . . . 6253 1 186 . 1 1 18 18 ARG HA H 1 4.203 0.02 . 1 . . . . . . . . 6253 1 187 . 1 1 18 18 ARG CB C 13 31.194 0.1 . 1 . . . . . . . . 6253 1 188 . 1 1 18 18 ARG HB2 H 1 1.860 0.02 . 1 . . . . . . . . 6253 1 189 . 1 1 18 18 ARG HB3 H 1 1.787 0.02 . 1 . . . . . . . . 6253 1 190 . 1 1 18 18 ARG CG C 13 27.578 0.1 . 1 . . . . . . . . 6253 1 191 . 1 1 18 18 ARG HG2 H 1 1.928 0.02 . 1 . . . . . . . . 6253 1 192 . 1 1 18 18 ARG HG3 H 1 1.777 0.02 . 1 . . . . . . . . 6253 1 193 . 1 1 18 18 ARG CD C 13 43.984 0.1 . 1 . . . . . . . . 6253 1 194 . 1 1 18 18 ARG HD2 H 1 3.371 0.02 . 1 . . . . . . . . 6253 1 195 . 1 1 18 18 ARG NE N 15 85.105 0.1 . 1 . . . . . . . . 6253 1 196 . 1 1 18 18 ARG HE H 1 7.358 0.02 . 1 . . . . . . . . 6253 1 197 . 1 1 18 18 ARG CZ C 13 160.157 0.1 . 1 . . . . . . . . 6253 1 198 . 1 1 18 18 ARG C C 13 173.964 0.1 . 1 . . . . . . . . 6253 1 199 . 1 1 19 19 ARG N N 15 118.117 0.1 . 1 . . . . . . . . 6253 1 200 . 1 1 19 19 ARG H H 1 8.075 0.02 . 1 . . . . . . . . 6253 1 201 . 1 1 19 19 ARG CA C 13 52.968 0.1 . 1 . . . . . . . . 6253 1 202 . 1 1 19 19 ARG HA H 1 5.701 0.02 . 1 . . . . . . . . 6253 1 203 . 1 1 19 19 ARG CB C 13 34.850 0.1 . 1 . . . . . . . . 6253 1 204 . 1 1 19 19 ARG HB2 H 1 1.401 0.02 . 1 . . . . . . . . 6253 1 205 . 1 1 19 19 ARG HB3 H 1 1.230 0.02 . 1 . . . . . . . . 6253 1 206 . 1 1 19 19 ARG CG C 13 25.390 0.1 . 1 . . . . . . . . 6253 1 207 . 1 1 19 19 ARG HG2 H 1 1.457 0.02 . 1 . . . . . . . . 6253 1 208 . 1 1 19 19 ARG HG3 H 1 1.119 0.02 . 1 . . . . . . . . 6253 1 209 . 1 1 19 19 ARG CD C 13 43.711 0.1 . 1 . . . . . . . . 6253 1 210 . 1 1 19 19 ARG HD2 H 1 3.091 0.02 . 1 . . . . . . . . 6253 1 211 . 1 1 19 19 ARG HD3 H 1 3.002 0.02 . 1 . . . . . . . . 6253 1 212 . 1 1 19 19 ARG NE N 15 86.020 0.1 . 1 . . . . . . . . 6253 1 213 . 1 1 19 19 ARG HE H 1 7.604 0.02 . 1 . . . . . . . . 6253 1 214 . 1 1 19 19 ARG CZ C 13 160.021 0.1 . 1 . . . . . . . . 6253 1 215 . 1 1 19 19 ARG C C 13 175.716 0.1 . 1 . . . . . . . . 6253 1 216 . 1 1 20 20 TYR N N 15 123.132 0.1 . 1 . . . . . . . . 6253 1 217 . 1 1 20 20 TYR H H 1 8.893 0.02 . 1 . . . . . . . . 6253 1 218 . 1 1 20 20 TYR CA C 13 58.110 0.1 . 1 . . . . . . . . 6253 1 219 . 1 1 20 20 TYR HA H 1 4.639 0.02 . 1 . . . . . . . . 6253 1 220 . 1 1 20 20 TYR CB C 13 42.553 0.1 . 1 . . . . . . . . 6253 1 221 . 1 1 20 20 TYR HB2 H 1 2.794 0.02 . 1 . . . . . . . . 6253 1 222 . 1 1 20 20 TYR HB3 H 1 2.513 0.02 . 1 . . . . . . . . 6253 1 223 . 1 1 20 20 TYR CD1 C 13 132.059 0.1 . 1 . . . . . . . . 6253 1 224 . 1 1 20 20 TYR CE1 C 13 118.762 0.1 . 1 . . . . . . . . 6253 1 225 . 1 1 20 20 TYR HE1 H 1 6.358 0.02 . 1 . . . . . . . . 6253 1 226 . 1 1 20 20 TYR HD1 H 1 6.545 0.02 . 1 . . . . . . . . 6253 1 227 . 1 1 20 20 TYR C C 13 172.710 0.1 . 1 . . . . . . . . 6253 1 228 . 1 1 21 21 ASP N N 15 126.630 0.1 . 1 . . . . . . . . 6253 1 229 . 1 1 21 21 ASP H H 1 7.458 0.02 . 1 . . . . . . . . 6253 1 230 . 1 1 21 21 ASP CA C 13 52.841 0.1 . 1 . . . . . . . . 6253 1 231 . 1 1 21 21 ASP HA H 1 5.030 0.02 . 1 . . . . . . . . 6253 1 232 . 1 1 21 21 ASP CB C 13 43.843 0.1 . 1 . . . . . . . . 6253 1 233 . 1 1 21 21 ASP HB2 H 1 2.195 0.02 . 1 . . . . . . . . 6253 1 234 . 1 1 21 21 ASP CG C 13 180.188 0.1 . 1 . . . . . . . . 6253 1 235 . 1 1 21 21 ASP C C 13 174.173 0.1 . 1 . . . . . . . . 6253 1 236 . 1 1 22 22 CYS N N 15 118.470 0.1 . 1 . . . . . . . . 6253 1 237 . 1 1 22 22 CYS H H 1 8.705 0.02 . 1 . . . . . . . . 6253 1 238 . 1 1 22 22 CYS CA C 13 58.110 0.1 . 1 . . . . . . . . 6253 1 239 . 1 1 22 22 CYS HA H 1 4.563 0.02 . 1 . . . . . . . . 6253 1 240 . 1 1 22 22 CYS CB C 13 30.000 0.1 . 1 . . . . . . . . 6253 1 241 . 1 1 22 22 CYS HB2 H 1 3.068 0.02 . 1 . . . . . . . . 6253 1 242 . 1 1 22 22 CYS HB3 H 1 2.472 0.02 . 1 . . . . . . . . 6253 1 243 . 1 1 22 22 CYS C C 13 172.897 0.1 . 1 . . . . . . . . 6253 1 244 . 1 1 23 23 ASP N N 15 122.324 0.1 . 1 . . . . . . . . 6253 1 245 . 1 1 23 23 ASP H H 1 8.475 0.02 . 1 . . . . . . . . 6253 1 246 . 1 1 23 23 ASP CA C 13 52.822 0.1 . 1 . . . . . . . . 6253 1 247 . 1 1 23 23 ASP HA H 1 5.248 0.02 . 1 . . . . . . . . 6253 1 248 . 1 1 23 23 ASP CB C 13 41.805 0.1 . 1 . . . . . . . . 6253 1 249 . 1 1 23 23 ASP HB2 H 1 3.248 0.02 . 1 . . . . . . . . 6253 1 250 . 1 1 23 23 ASP HB3 H 1 2.584 0.02 . 1 . . . . . . . . 6253 1 251 . 1 1 23 23 ASP CG C 13 181.000 0.1 . 1 . . . . . . . . 6253 1 252 . 1 1 23 23 ASP C C 13 175.761 0.1 . 1 . . . . . . . . 6253 1 253 . 1 1 24 24 SER N N 15 113.981 0.1 . 1 . . . . . . . . 6253 1 254 . 1 1 24 24 SER H H 1 8.103 0.02 . 1 . . . . . . . . 6253 1 255 . 1 1 24 24 SER CA C 13 56.930 0.1 . 1 . . . . . . . . 6253 1 256 . 1 1 24 24 SER HA H 1 4.739 0.02 . 1 . . . . . . . . 6253 1 257 . 1 1 24 24 SER CB C 13 65.100 0.1 . 1 . . . . . . . . 6253 1 258 . 1 1 24 24 SER HB2 H 1 4.023 0.02 . 1 . . . . . . . . 6253 1 259 . 1 1 24 24 SER C C 13 172.373 0.1 . 1 . . . . . . . . 6253 1 260 . 1 1 25 25 ASP N N 15 119.020 0.1 . 1 . . . . . . . . 6253 1 261 . 1 1 25 25 ASP H H 1 8.086 0.02 . 1 . . . . . . . . 6253 1 262 . 1 1 25 25 ASP CA C 13 56.293 0.1 . 1 . . . . . . . . 6253 1 263 . 1 1 25 25 ASP HA H 1 4.877 0.02 . 1 . . . . . . . . 6253 1 264 . 1 1 25 25 ASP CB C 13 40.659 0.1 . 1 . . . . . . . . 6253 1 265 . 1 1 25 25 ASP HB2 H 1 2.899 0.02 . 1 . . . . . . . . 6253 1 266 . 1 1 25 25 ASP CG C 13 179.394 0.1 . 1 . . . . . . . . 6253 1 267 . 1 1 25 25 ASP C C 13 176.644 0.1 . 1 . . . . . . . . 6253 1 268 . 1 1 26 26 CYS N N 15 123.170 0.1 . 1 . . . . . . . . 6253 1 269 . 1 1 26 26 CYS H H 1 9.413 0.02 . 1 . . . . . . . . 6253 1 270 . 1 1 26 26 CYS CA C 13 58.639 0.1 . 1 . . . . . . . . 6253 1 271 . 1 1 26 26 CYS HA H 1 5.032 0.02 . 1 . . . . . . . . 6253 1 272 . 1 1 26 26 CYS CB C 13 29.583 0.1 . 1 . . . . . . . . 6253 1 273 . 1 1 26 26 CYS HB2 H 1 3.434 0.02 . 1 . . . . . . . . 6253 1 274 . 1 1 26 26 CYS C C 13 174.176 0.1 . 1 . . . . . . . . 6253 1 275 . 1 1 27 27 ALA N N 15 130.819 0.1 . 1 . . . . . . . . 6253 1 276 . 1 1 27 27 ALA H H 1 9.156 0.02 . 1 . . . . . . . . 6253 1 277 . 1 1 27 27 ALA CA C 13 54.100 0.1 . 1 . . . . . . . . 6253 1 278 . 1 1 27 27 ALA HA H 1 3.687 0.02 . 1 . . . . . . . . 6253 1 279 . 1 1 27 27 ALA HB1 H 1 1.387 0.02 . 1 . . . . . . . . 6253 1 280 . 1 1 27 27 ALA HB2 H 1 1.387 0.02 . 1 . . . . . . . . 6253 1 281 . 1 1 27 27 ALA HB3 H 1 1.387 0.02 . 1 . . . . . . . . 6253 1 282 . 1 1 27 27 ALA CB C 13 18.650 0.1 . 1 . . . . . . . . 6253 1 283 . 1 1 27 27 ALA C C 13 176.338 0.1 . 1 . . . . . . . . 6253 1 284 . 1 1 28 28 ASP N N 15 113.254 0.1 . 1 . . . . . . . . 6253 1 285 . 1 1 28 28 ASP H H 1 7.590 0.02 . 1 . . . . . . . . 6253 1 286 . 1 1 28 28 ASP CA C 13 54.552 0.1 . 1 . . . . . . . . 6253 1 287 . 1 1 28 28 ASP HA H 1 4.886 0.02 . 1 . . . . . . . . 6253 1 288 . 1 1 28 28 ASP CB C 13 40.565 0.1 . 1 . . . . . . . . 6253 1 289 . 1 1 28 28 ASP HB2 H 1 3.017 0.02 . 1 . . . . . . . . 6253 1 290 . 1 1 28 28 ASP HB3 H 1 2.656 0.02 . 1 . . . . . . . . 6253 1 291 . 1 1 28 28 ASP C C 13 176.210 0.1 . 1 . . . . . . . . 6253 1 292 . 1 1 29 29 PHE N N 15 123.810 0.1 . 1 . . . . . . . . 6253 1 293 . 1 1 29 29 PHE H H 1 8.592 0.02 . 1 . . . . . . . . 6253 1 294 . 1 1 29 29 PHE CA C 13 55.811 0.1 . 1 . . . . . . . . 6253 1 295 . 1 1 29 29 PHE HA H 1 5.050 0.02 . 1 . . . . . . . . 6253 1 296 . 1 1 29 29 PHE CB C 13 37.534 0.1 . 1 . . . . . . . . 6253 1 297 . 1 1 29 29 PHE HB2 H 1 2.931 0.02 . 1 . . . . . . . . 6253 1 298 . 1 1 29 29 PHE HB3 H 1 2.703 0.02 . 1 . . . . . . . . 6253 1 299 . 1 1 29 29 PHE CD1 C 13 131.243 0.1 . 1 . . . . . . . . 6253 1 300 . 1 1 29 29 PHE HD1 H 1 6.825 0.02 . 1 . . . . . . . . 6253 1 301 . 1 1 29 29 PHE C C 13 177.820 0.1 . 1 . . . . . . . . 6253 1 302 . 1 1 30 30 HIS N N 15 122.781 0.1 . 1 . . . . . . . . 6253 1 303 . 1 1 30 30 HIS H H 1 8.745 0.02 . 1 . . . . . . . . 6253 1 304 . 1 1 30 30 HIS CA C 13 58.696 0.1 . 1 . . . . . . . . 6253 1 305 . 1 1 30 30 HIS HA H 1 4.844 0.02 . 1 . . . . . . . . 6253 1 306 . 1 1 30 30 HIS CB C 13 27.239 0.1 . 1 . . . . . . . . 6253 1 307 . 1 1 30 30 HIS HB2 H 1 3.529 0.02 . 1 . . . . . . . . 6253 1 308 . 1 1 30 30 HIS HB3 H 1 3.120 0.02 . 1 . . . . . . . . 6253 1 309 . 1 1 30 30 HIS ND1 N 15 183.362 0.1 . 1 . . . . . . . . 6253 1 310 . 1 1 30 30 HIS CD2 C 13 121.415 0.1 . 1 . . . . . . . . 6253 1 311 . 1 1 30 30 HIS CE1 C 13 136.350 0.1 . 1 . . . . . . . . 6253 1 312 . 1 1 30 30 HIS NE2 N 15 180.835 0.1 . 1 . . . . . . . . 6253 1 313 . 1 1 30 30 HIS HD2 H 1 7.086 0.02 . 1 . . . . . . . . 6253 1 314 . 1 1 30 30 HIS HE1 H 1 8.325 0.02 . 1 . . . . . . . . 6253 1 315 . 1 1 30 30 HIS C C 13 175.290 0.1 . 1 . . . . . . . . 6253 1 316 . 1 1 31 31 THR N N 15 110.298 0.1 . 1 . . . . . . . . 6253 1 317 . 1 1 31 31 THR H H 1 7.523 0.02 . 1 . . . . . . . . 6253 1 318 . 1 1 31 31 THR CA C 13 63.400 0.1 . 1 . . . . . . . . 6253 1 319 . 1 1 31 31 THR HA H 1 3.668 0.02 . 1 . . . . . . . . 6253 1 320 . 1 1 31 31 THR CB C 13 68.000 0.1 . 1 . . . . . . . . 6253 1 321 . 1 1 31 31 THR HB H 1 3.622 0.02 . 1 . . . . . . . . 6253 1 322 . 1 1 31 31 THR HG21 H 1 0.589 0.02 . 1 . . . . . . . . 6253 1 323 . 1 1 31 31 THR HG22 H 1 0.589 0.02 . 1 . . . . . . . . 6253 1 324 . 1 1 31 31 THR HG23 H 1 0.589 0.02 . 1 . . . . . . . . 6253 1 325 . 1 1 31 31 THR CG2 C 13 21.050 0.1 . 1 . . . . . . . . 6253 1 326 . 1 1 31 31 THR C C 13 174.667 0.1 . 1 . . . . . . . . 6253 1 327 . 1 1 32 32 TYR N N 15 119.718 0.1 . 1 . . . . . . . . 6253 1 328 . 1 1 32 32 TYR H H 1 7.265 0.02 . 1 . . . . . . . . 6253 1 329 . 1 1 32 32 TYR CA C 13 58.216 0.1 . 1 . . . . . . . . 6253 1 330 . 1 1 32 32 TYR HA H 1 4.414 0.02 . 1 . . . . . . . . 6253 1 331 . 1 1 32 32 TYR CB C 13 39.502 0.1 . 1 . . . . . . . . 6253 1 332 . 1 1 32 32 TYR HB2 H 1 3.088 0.02 . 1 . . . . . . . . 6253 1 333 . 1 1 32 32 TYR HB3 H 1 2.317 0.02 . 1 . . . . . . . . 6253 1 334 . 1 1 32 32 TYR CD1 C 13 132.924 0.1 . 1 . . . . . . . . 6253 1 335 . 1 1 32 32 TYR HD1 H 1 6.776 0.02 . 1 . . . . . . . . 6253 1 336 . 1 1 32 32 TYR C C 13 175.101 0.1 . 1 . . . . . . . . 6253 1 337 . 1 1 33 33 LEU N N 15 118.504 0.1 . 1 . . . . . . . . 6253 1 338 . 1 1 33 33 LEU H H 1 7.342 0.02 . 1 . . . . . . . . 6253 1 339 . 1 1 33 33 LEU CA C 13 54.580 0.1 . 1 . . . . . . . . 6253 1 340 . 1 1 33 33 LEU HA H 1 4.631 0.02 . 1 . . . . . . . . 6253 1 341 . 1 1 33 33 LEU CB C 13 45.350 0.1 . 1 . . . . . . . . 6253 1 342 . 1 1 33 33 LEU HB2 H 1 1.903 0.02 . 1 . . . . . . . . 6253 1 343 . 1 1 33 33 LEU HB3 H 1 1.329 0.02 . 1 . . . . . . . . 6253 1 344 . 1 1 33 33 LEU HG H 1 1.705 0.02 . 1 . . . . . . . . 6253 1 345 . 1 1 33 33 LEU HD11 H 1 0.872 0.02 . 1 . . . . . . . . 6253 1 346 . 1 1 33 33 LEU HD12 H 1 0.872 0.02 . 1 . . . . . . . . 6253 1 347 . 1 1 33 33 LEU HD13 H 1 0.872 0.02 . 1 . . . . . . . . 6253 1 348 . 1 1 33 33 LEU HD21 H 1 0.810 0.02 . 1 . . . . . . . . 6253 1 349 . 1 1 33 33 LEU HD22 H 1 0.810 0.02 . 1 . . . . . . . . 6253 1 350 . 1 1 33 33 LEU HD23 H 1 0.810 0.02 . 1 . . . . . . . . 6253 1 351 . 1 1 33 33 LEU CD1 C 13 26.380 0.1 . 1 . . . . . . . . 6253 1 352 . 1 1 33 33 LEU CD2 C 13 26.930 0.1 . 1 . . . . . . . . 6253 1 353 . 1 1 33 33 LEU C C 13 175.985 0.1 . 1 . . . . . . . . 6253 1 354 . 1 1 34 34 SER N N 15 120.380 0.1 . 1 . . . . . . . . 6253 1 355 . 1 1 34 34 SER H H 1 9.438 0.02 . 1 . . . . . . . . 6253 1 356 . 1 1 34 34 SER CA C 13 59.900 0.1 . 1 . . . . . . . . 6253 1 357 . 1 1 34 34 SER HA H 1 4.476 0.02 . 1 . . . . . . . . 6253 1 358 . 1 1 34 34 SER CB C 13 63.940 0.1 . 1 . . . . . . . . 6253 1 359 . 1 1 34 34 SER HB2 H 1 3.945 0.02 . 1 . . . . . . . . 6253 1 360 . 1 1 34 34 SER C C 13 173.529 0.1 . 1 . . . . . . . . 6253 1 361 . 1 1 35 35 ARG N N 15 117.597 0.1 . 1 . . . . . . . . 6253 1 362 . 1 1 35 35 ARG H H 1 7.922 0.02 . 1 . . . . . . . . 6253 1 363 . 1 1 35 35 ARG CA C 13 54.386 0.1 . 1 . . . . . . . . 6253 1 364 . 1 1 35 35 ARG HA H 1 4.799 0.02 . 1 . . . . . . . . 6253 1 365 . 1 1 35 35 ARG CB C 13 31.341 0.1 . 1 . . . . . . . . 6253 1 366 . 1 1 35 35 ARG HB2 H 1 2.044 0.02 . 1 . . . . . . . . 6253 1 367 . 1 1 35 35 ARG HB3 H 1 1.794 0.02 . 1 . . . . . . . . 6253 1 368 . 1 1 35 35 ARG CG C 13 25.390 0.1 . 1 . . . . . . . . 6253 1 369 . 1 1 35 35 ARG HG2 H 1 1.776 0.02 . 1 . . . . . . . . 6253 1 370 . 1 1 35 35 ARG HG3 H 1 1.583 0.02 . 1 . . . . . . . . 6253 1 371 . 1 1 35 35 ARG CD C 13 43.437 0.1 . 1 . . . . . . . . 6253 1 372 . 1 1 35 35 ARG HD2 H 1 3.240 0.02 . 1 . . . . . . . . 6253 1 373 . 1 1 35 35 ARG HD3 H 1 3.193 0.02 . 1 . . . . . . . . 6253 1 374 . 1 1 35 35 ARG NE N 15 85.012 0.1 . 1 . . . . . . . . 6253 1 375 . 1 1 35 35 ARG HE H 1 6.865 0.02 . 1 . . . . . . . . 6253 1 376 . 1 1 35 35 ARG CZ C 13 159.793 0.1 . 1 . . . . . . . . 6253 1 377 . 1 1 35 35 ARG C C 13 173.185 0.1 . 1 . . . . . . . . 6253 1 378 . 1 1 36 36 CYS N N 15 117.919 0.1 . 1 . . . . . . . . 6253 1 379 . 1 1 36 36 CYS H H 1 9.677 0.02 . 1 . . . . . . . . 6253 1 380 . 1 1 36 36 CYS CA C 13 58.320 0.1 . 1 . . . . . . . . 6253 1 381 . 1 1 36 36 CYS HA H 1 5.310 0.02 . 1 . . . . . . . . 6253 1 382 . 1 1 36 36 CYS CB C 13 28.703 0.1 . 1 . . . . . . . . 6253 1 383 . 1 1 36 36 CYS HB2 H 1 2.752 0.02 . 1 . . . . . . . . 6253 1 384 . 1 1 36 36 CYS HB3 H 1 2.659 0.02 . 1 . . . . . . . . 6253 1 385 . 1 1 36 36 CYS C C 13 172.735 0.1 . 1 . . . . . . . . 6253 1 386 . 1 1 37 37 ASN N N 15 121.790 0.1 . 1 . . . . . . . . 6253 1 387 . 1 1 37 37 ASN H H 1 8.485 0.02 . 1 . . . . . . . . 6253 1 388 . 1 1 37 37 ASN CA C 13 53.323 0.1 . 1 . . . . . . . . 6253 1 389 . 1 1 37 37 ASN HA H 1 5.310 0.02 . 1 . . . . . . . . 6253 1 390 . 1 1 37 37 ASN CB C 13 43.687 0.1 . 1 . . . . . . . . 6253 1 391 . 1 1 37 37 ASN HB2 H 1 2.764 0.02 . 1 . . . . . . . . 6253 1 392 . 1 1 37 37 ASN HB3 H 1 2.349 0.02 . 1 . . . . . . . . 6253 1 393 . 1 1 37 37 ASN CG C 13 178.865 0.1 . 1 . . . . . . . . 6253 1 394 . 1 1 37 37 ASN ND2 N 15 115.906 0.1 . 1 . . . . . . . . 6253 1 395 . 1 1 37 37 ASN HD21 H 1 8.496 0.02 . 1 . . . . . . . . 6253 1 396 . 1 1 37 37 ASN HD22 H 1 8.074 0.02 . 1 . . . . . . . . 6253 1 397 . 1 1 37 37 ASN C C 13 173.934 0.1 . 1 . . . . . . . . 6253 1 398 . 1 1 38 38 SER N N 15 109.022 0.1 . 1 . . . . . . . . 6253 1 399 . 1 1 38 38 SER H H 1 8.373 0.02 . 1 . . . . . . . . 6253 1 400 . 1 1 38 38 SER CA C 13 60.100 0.1 . 1 . . . . . . . . 6253 1 401 . 1 1 38 38 SER HA H 1 5.031 0.02 . 1 . . . . . . . . 6253 1 402 . 1 1 38 38 SER CB C 13 64.650 0.1 . 1 . . . . . . . . 6253 1 403 . 1 1 38 38 SER HB2 H 1 4.314 0.02 . 1 . . . . . . . . 6253 1 404 . 1 1 38 38 SER HB3 H 1 3.826 0.02 . 1 . . . . . . . . 6253 1 405 . 1 1 38 38 SER C C 13 173.034 0.1 . 1 . . . . . . . . 6253 1 406 . 1 1 39 39 ILE N N 15 119.113 0.1 . 1 . . . . . . . . 6253 1 407 . 1 1 39 39 ILE H H 1 9.045 0.02 . 1 . . . . . . . . 6253 1 408 . 1 1 39 39 ILE CA C 13 60.740 0.1 . 1 . . . . . . . . 6253 1 409 . 1 1 39 39 ILE HA H 1 5.378 0.02 . 1 . . . . . . . . 6253 1 410 . 1 1 39 39 ILE CB C 13 45.138 0.1 . 1 . . . . . . . . 6253 1 411 . 1 1 39 39 ILE HB H 1 1.214 0.02 . 1 . . . . . . . . 6253 1 412 . 1 1 39 39 ILE HG21 H 1 0.277 0.02 . 1 . . . . . . . . 6253 1 413 . 1 1 39 39 ILE HG22 H 1 0.277 0.02 . 1 . . . . . . . . 6253 1 414 . 1 1 39 39 ILE HG23 H 1 0.277 0.02 . 1 . . . . . . . . 6253 1 415 . 1 1 39 39 ILE CG2 C 13 18.281 0.1 . 1 . . . . . . . . 6253 1 416 . 1 1 39 39 ILE CG1 C 13 30.039 0.1 . 1 . . . . . . . . 6253 1 417 . 1 1 39 39 ILE HG12 H 1 1.421 0.02 . 1 . . . . . . . . 6253 1 418 . 1 1 39 39 ILE HG13 H 1 0.744 0.02 . 1 . . . . . . . . 6253 1 419 . 1 1 39 39 ILE HD11 H 1 -0.555 0.02 . 1 . . . . . . . . 6253 1 420 . 1 1 39 39 ILE HD12 H 1 -0.555 0.02 . 1 . . . . . . . . 6253 1 421 . 1 1 39 39 ILE HD13 H 1 -0.555 0.02 . 1 . . . . . . . . 6253 1 422 . 1 1 39 39 ILE CD1 C 13 12.530 0.1 . 1 . . . . . . . . 6253 1 423 . 1 1 39 39 ILE C C 13 176.115 0.1 . 1 . . . . . . . . 6253 1 424 . 1 1 40 40 LYS N N 15 125.434 0.1 . 1 . . . . . . . . 6253 1 425 . 1 1 40 40 LYS H H 1 9.004 0.02 . 1 . . . . . . . . 6253 1 426 . 1 1 40 40 LYS CA C 13 56.300 0.1 . 1 . . . . . . . . 6253 1 427 . 1 1 40 40 LYS HA H 1 5.007 0.02 . 1 . . . . . . . . 6253 1 428 . 1 1 40 40 LYS CB C 13 36.047 0.1 . 1 . . . . . . . . 6253 1 429 . 1 1 40 40 LYS HB2 H 1 1.728 0.02 . 1 . . . . . . . . 6253 1 430 . 1 1 40 40 LYS HB3 H 1 1.647 0.02 . 1 . . . . . . . . 6253 1 431 . 1 1 40 40 LYS CG C 13 27.031 0.1 . 1 . . . . . . . . 6253 1 432 . 1 1 40 40 LYS HG2 H 1 1.285 0.02 . 1 . . . . . . . . 6253 1 433 . 1 1 40 40 LYS HG3 H 1 0.868 0.02 . 1 . . . . . . . . 6253 1 434 . 1 1 40 40 LYS CD C 13 29.100 0.1 . 1 . . . . . . . . 6253 1 435 . 1 1 40 40 LYS HD2 H 1 1.412 0.02 . 1 . . . . . . . . 6253 1 436 . 1 1 40 40 LYS CE C 13 40.800 0.1 . 1 . . . . . . . . 6253 1 437 . 1 1 40 40 LYS HE2 H 1 2.051 0.02 . 1 . . . . . . . . 6253 1 438 . 1 1 40 40 LYS HE3 H 1 1.819 0.02 . 1 . . . . . . . . 6253 1 439 . 1 1 40 40 LYS C C 13 174.705 0.1 . 1 . . . . . . . . 6253 1 440 . 1 1 41 41 VAL N N 15 126.125 0.1 . 1 . . . . . . . . 6253 1 441 . 1 1 41 41 VAL H H 1 9.271 0.02 . 1 . . . . . . . . 6253 1 442 . 1 1 41 41 VAL CA C 13 62.178 0.1 . 1 . . . . . . . . 6253 1 443 . 1 1 41 41 VAL HA H 1 4.271 0.02 . 1 . . . . . . . . 6253 1 444 . 1 1 41 41 VAL CB C 13 32.996 0.1 . 1 . . . . . . . . 6253 1 445 . 1 1 41 41 VAL HB H 1 2.491 0.02 . 1 . . . . . . . . 6253 1 446 . 1 1 41 41 VAL HG11 H 1 1.101 0.02 . 1 . . . . . . . . 6253 1 447 . 1 1 41 41 VAL HG12 H 1 1.101 0.02 . 1 . . . . . . . . 6253 1 448 . 1 1 41 41 VAL HG13 H 1 1.101 0.02 . 1 . . . . . . . . 6253 1 449 . 1 1 41 41 VAL HG21 H 1 0.740 0.02 . 1 . . . . . . . . 6253 1 450 . 1 1 41 41 VAL HG22 H 1 0.740 0.02 . 1 . . . . . . . . 6253 1 451 . 1 1 41 41 VAL HG23 H 1 0.740 0.02 . 1 . . . . . . . . 6253 1 452 . 1 1 41 41 VAL CG1 C 13 23.720 0.1 . 1 . . . . . . . . 6253 1 453 . 1 1 41 41 VAL CG2 C 13 21.835 0.1 . 1 . . . . . . . . 6253 1 454 . 1 1 41 41 VAL C C 13 176.390 0.1 . 1 . . . . . . . . 6253 1 455 . 1 1 42 42 GLU N N 15 128.129 0.1 . 1 . . . . . . . . 6253 1 456 . 1 1 42 42 GLU H H 1 8.525 0.02 . 1 . . . . . . . . 6253 1 457 . 1 1 42 42 GLU CA C 13 56.778 0.1 . 1 . . . . . . . . 6253 1 458 . 1 1 42 42 GLU HA H 1 4.522 0.02 . 1 . . . . . . . . 6253 1 459 . 1 1 42 42 GLU CB C 13 31.707 0.1 . 1 . . . . . . . . 6253 1 460 . 1 1 42 42 GLU HB2 H 1 2.041 0.02 . 1 . . . . . . . . 6253 1 461 . 1 1 42 42 GLU HB3 H 1 1.878 0.02 . 1 . . . . . . . . 6253 1 462 . 1 1 42 42 GLU CG C 13 36.600 0.1 . 1 . . . . . . . . 6253 1 463 . 1 1 42 42 GLU HG2 H 1 2.126 0.02 . 1 . . . . . . . . 6253 1 464 . 1 1 42 42 GLU C C 13 177.304 0.1 . 1 . . . . . . . . 6253 1 465 . 1 1 43 43 GLY N N 15 108.184 0.1 . 1 . . . . . . . . 6253 1 466 . 1 1 43 43 GLY H H 1 8.341 0.02 . 1 . . . . . . . . 6253 1 467 . 1 1 43 43 GLY CA C 13 46.500 0.1 . 1 . . . . . . . . 6253 1 468 . 1 1 43 43 GLY HA2 H 1 4.066 0.02 . 1 . . . . . . . . 6253 1 469 . 1 1 43 43 GLY HA3 H 1 4.252 0.02 . 1 . . . . . . . . 6253 1 470 . 1 1 43 43 GLY C C 13 173.125 0.1 . 1 . . . . . . . . 6253 1 471 . 1 1 44 44 GLY N N 15 111.009 0.1 . 1 . . . . . . . . 6253 1 472 . 1 1 44 44 GLY H H 1 8.031 0.02 . 1 . . . . . . . . 6253 1 473 . 1 1 44 44 GLY CA C 13 44.640 0.1 . 1 . . . . . . . . 6253 1 474 . 1 1 44 44 GLY HA2 H 1 3.860 0.02 . 1 . . . . . . . . 6253 1 475 . 1 1 44 44 GLY HA3 H 1 4.061 0.02 . 1 . . . . . . . . 6253 1 476 . 1 1 44 44 GLY C C 13 170.234 0.1 . 1 . . . . . . . . 6253 1 477 . 1 1 45 45 THR N N 15 113.733 0.1 . 1 . . . . . . . . 6253 1 478 . 1 1 45 45 THR H H 1 7.972 0.02 . 1 . . . . . . . . 6253 1 479 . 1 1 45 45 THR CA C 13 62.282 0.1 . 1 . . . . . . . . 6253 1 480 . 1 1 45 45 THR HA H 1 4.859 0.02 . 1 . . . . . . . . 6253 1 481 . 1 1 45 45 THR CB C 13 69.684 0.1 . 1 . . . . . . . . 6253 1 482 . 1 1 45 45 THR HB H 1 3.642 0.02 . 1 . . . . . . . . 6253 1 483 . 1 1 45 45 THR HG21 H 1 0.918 0.02 . 1 . . . . . . . . 6253 1 484 . 1 1 45 45 THR HG22 H 1 0.918 0.02 . 1 . . . . . . . . 6253 1 485 . 1 1 45 45 THR HG23 H 1 0.918 0.02 . 1 . . . . . . . . 6253 1 486 . 1 1 45 45 THR CG2 C 13 21.960 0.1 . 1 . . . . . . . . 6253 1 487 . 1 1 45 45 THR C C 13 173.956 0.1 . 1 . . . . . . . . 6253 1 488 . 1 1 46 46 TRP N N 15 126.495 0.1 . 1 . . . . . . . . 6253 1 489 . 1 1 46 46 TRP H H 1 8.537 0.02 . 1 . . . . . . . . 6253 1 490 . 1 1 46 46 TRP CA C 13 56.247 0.1 . 1 . . . . . . . . 6253 1 491 . 1 1 46 46 TRP HA H 1 4.856 0.02 . 1 . . . . . . . . 6253 1 492 . 1 1 46 46 TRP CB C 13 32.325 0.1 . 1 . . . . . . . . 6253 1 493 . 1 1 46 46 TRP HB2 H 1 2.942 0.02 . 1 . . . . . . . . 6253 1 494 . 1 1 46 46 TRP HB3 H 1 2.691 0.02 . 1 . . . . . . . . 6253 1 495 . 1 1 46 46 TRP CD1 C 13 126.753 0.1 . 1 . . . . . . . . 6253 1 496 . 1 1 46 46 TRP CE2 C 13 138.441 0.1 . 1 . . . . . . . . 6253 1 497 . 1 1 46 46 TRP NE1 N 15 127.379 0.1 . 1 . . . . . . . . 6253 1 498 . 1 1 46 46 TRP HD1 H 1 6.971 0.02 . 1 . . . . . . . . 6253 1 499 . 1 1 46 46 TRP CZ2 C 13 113.860 0.1 . 1 . . . . . . . . 6253 1 500 . 1 1 46 46 TRP HE1 H 1 9.425 0.02 . 1 . . . . . . . . 6253 1 501 . 1 1 46 46 TRP CH2 C 13 123.587 0.1 . 1 . . . . . . . . 6253 1 502 . 1 1 46 46 TRP HZ2 H 1 6.972 0.02 . 1 . . . . . . . . 6253 1 503 . 1 1 46 46 TRP HH2 H 1 6.641 0.02 . 1 . . . . . . . . 6253 1 504 . 1 1 46 46 TRP C C 13 173.604 0.1 . 1 . . . . . . . . 6253 1 505 . 1 1 47 47 ALA N N 15 125.046 0.1 . 1 . . . . . . . . 6253 1 506 . 1 1 47 47 ALA H H 1 9.488 0.02 . 1 . . . . . . . . 6253 1 507 . 1 1 47 47 ALA CA C 13 50.400 0.1 . 1 . . . . . . . . 6253 1 508 . 1 1 47 47 ALA HA H 1 5.209 0.02 . 1 . . . . . . . . 6253 1 509 . 1 1 47 47 ALA HB1 H 1 1.131 0.02 . 1 . . . . . . . . 6253 1 510 . 1 1 47 47 ALA HB2 H 1 1.131 0.02 . 1 . . . . . . . . 6253 1 511 . 1 1 47 47 ALA HB3 H 1 1.131 0.02 . 1 . . . . . . . . 6253 1 512 . 1 1 47 47 ALA CB C 13 20.760 0.1 . 1 . . . . . . . . 6253 1 513 . 1 1 47 47 ALA C C 13 176.345 0.1 . 1 . . . . . . . . 6253 1 514 . 1 1 48 48 VAL N N 15 117.799 0.1 . 1 . . . . . . . . 6253 1 515 . 1 1 48 48 VAL H H 1 9.046 0.02 . 1 . . . . . . . . 6253 1 516 . 1 1 48 48 VAL CA C 13 59.233 0.1 . 1 . . . . . . . . 6253 1 517 . 1 1 48 48 VAL HA H 1 5.359 0.02 . 1 . . . . . . . . 6253 1 518 . 1 1 48 48 VAL CB C 13 33.818 0.1 . 1 . . . . . . . . 6253 1 519 . 1 1 48 48 VAL HB H 1 2.320 0.02 . 1 . . . . . . . . 6253 1 520 . 1 1 48 48 VAL HG11 H 1 1.092 0.02 . 1 . . . . . . . . 6253 1 521 . 1 1 48 48 VAL HG12 H 1 1.092 0.02 . 1 . . . . . . . . 6253 1 522 . 1 1 48 48 VAL HG13 H 1 1.092 0.02 . 1 . . . . . . . . 6253 1 523 . 1 1 48 48 VAL HG21 H 1 0.863 0.02 . 1 . . . . . . . . 6253 1 524 . 1 1 48 48 VAL HG22 H 1 0.863 0.02 . 1 . . . . . . . . 6253 1 525 . 1 1 48 48 VAL HG23 H 1 0.863 0.02 . 1 . . . . . . . . 6253 1 526 . 1 1 48 48 VAL CG1 C 13 22.760 0.1 . 1 . . . . . . . . 6253 1 527 . 1 1 48 48 VAL CG2 C 13 21.430 0.1 . 1 . . . . . . . . 6253 1 528 . 1 1 48 48 VAL C C 13 173.814 0.1 . 1 . . . . . . . . 6253 1 529 . 1 1 49 49 TYR N N 15 119.640 0.1 . 1 . . . . . . . . 6253 1 530 . 1 1 49 49 TYR H H 1 8.851 0.02 . 1 . . . . . . . . 6253 1 531 . 1 1 49 49 TYR CA C 13 56.689 0.1 . 1 . . . . . . . . 6253 1 532 . 1 1 49 49 TYR HA H 1 5.594 0.02 . 1 . . . . . . . . 6253 1 533 . 1 1 49 49 TYR CB C 13 40.150 0.1 . 1 . . . . . . . . 6253 1 534 . 1 1 49 49 TYR HB2 H 1 3.336 0.02 . 1 . . . . . . . . 6253 1 535 . 1 1 49 49 TYR HB3 H 1 3.247 0.02 . 1 . . . . . . . . 6253 1 536 . 1 1 49 49 TYR C C 13 176.659 0.1 . 1 . . . . . . . . 6253 1 537 . 1 1 50 50 GLU N N 15 124.184 0.1 . 1 . . . . . . . . 6253 1 538 . 1 1 50 50 GLU H H 1 9.561 0.02 . 1 . . . . . . . . 6253 1 539 . 1 1 50 50 GLU CA C 13 58.200 0.1 . 1 . . . . . . . . 6253 1 540 . 1 1 50 50 GLU HA H 1 4.753 0.02 . 1 . . . . . . . . 6253 1 541 . 1 1 50 50 GLU CB C 13 33.326 0.1 . 1 . . . . . . . . 6253 1 542 . 1 1 50 50 GLU HB2 H 1 2.607 0.02 . 1 . . . . . . . . 6253 1 543 . 1 1 50 50 GLU HB3 H 1 2.477 0.02 . 1 . . . . . . . . 6253 1 544 . 1 1 50 50 GLU CG C 13 34.961 0.1 . 1 . . . . . . . . 6253 1 545 . 1 1 50 50 GLU HG2 H 1 2.722 0.02 . 1 . . . . . . . . 6253 1 546 . 1 1 50 50 GLU HG3 H 1 2.016 0.02 . 1 . . . . . . . . 6253 1 547 . 1 1 50 50 GLU C C 13 176.659 0.1 . 1 . . . . . . . . 6253 1 548 . 1 1 51 51 ARG N N 15 114.277 0.1 . 1 . . . . . . . . 6253 1 549 . 1 1 51 51 ARG H H 1 8.234 0.02 . 1 . . . . . . . . 6253 1 550 . 1 1 51 51 ARG CA C 13 53.400 0.1 . 1 . . . . . . . . 6253 1 551 . 1 1 51 51 ARG HA H 1 4.642 0.02 . 1 . . . . . . . . 6253 1 552 . 1 1 51 51 ARG CB C 13 30.700 0.1 . 1 . . . . . . . . 6253 1 553 . 1 1 51 51 ARG HB2 H 1 1.819 0.02 . 1 . . . . . . . . 6253 1 554 . 1 1 51 51 ARG HB3 H 1 1.245 0.02 . 1 . . . . . . . . 6253 1 555 . 1 1 51 51 ARG CG C 13 27.578 0.1 . 1 . . . . . . . . 6253 1 556 . 1 1 51 51 ARG HG2 H 1 1.472 0.02 . 1 . . . . . . . . 6253 1 557 . 1 1 51 51 ARG CD C 13 43.164 0.1 . 1 . . . . . . . . 6253 1 558 . 1 1 51 51 ARG HD2 H 1 3.110 0.02 . 1 . . . . . . . . 6253 1 559 . 1 1 51 51 ARG HD3 H 1 3.014 0.02 . 1 . . . . . . . . 6253 1 560 . 1 1 51 51 ARG C C 13 174.010 0.1 . 1 . . . . . . . . 6253 1 561 . 1 1 52 52 PRO CD C 13 50.880 0.1 . 1 . . . . . . . . 6253 1 562 . 1 1 52 52 PRO CA C 13 62.572 0.1 . 1 . . . . . . . . 6253 1 563 . 1 1 52 52 PRO HA H 1 3.966 0.02 . 1 . . . . . . . . 6253 1 564 . 1 1 52 52 PRO CB C 13 32.599 0.1 . 1 . . . . . . . . 6253 1 565 . 1 1 52 52 PRO HB2 H 1 2.173 0.02 . 1 . . . . . . . . 6253 1 566 . 1 1 52 52 PRO HB3 H 1 1.612 0.02 . 1 . . . . . . . . 6253 1 567 . 1 1 52 52 PRO HG2 H 1 3.380 0.02 . 1 . . . . . . . . 6253 1 568 . 1 1 52 52 PRO HD2 H 1 3.376 0.02 . 1 . . . . . . . . 6253 1 569 . 1 1 52 52 PRO C C 13 175.248 0.1 . 1 . . . . . . . . 6253 1 570 . 1 1 53 53 ASN N N 15 113.931 0.1 . 1 . . . . . . . . 6253 1 571 . 1 1 53 53 ASN H H 1 9.855 0.02 . 1 . . . . . . . . 6253 1 572 . 1 1 53 53 ASN CA C 13 53.976 0.1 . 1 . . . . . . . . 6253 1 573 . 1 1 53 53 ASN HA H 1 3.227 0.02 . 1 . . . . . . . . 6253 1 574 . 1 1 53 53 ASN CB C 13 36.300 0.1 . 1 . . . . . . . . 6253 1 575 . 1 1 53 53 ASN HB2 H 1 2.676 0.02 . 1 . . . . . . . . 6253 1 576 . 1 1 53 53 ASN CG C 13 178.341 0.1 . 1 . . . . . . . . 6253 1 577 . 1 1 53 53 ASN ND2 N 15 113.038 0.1 . 1 . . . . . . . . 6253 1 578 . 1 1 53 53 ASN HD21 H 1 7.281 0.02 . 1 . . . . . . . . 6253 1 579 . 1 1 53 53 ASN HD22 H 1 6.722 0.02 . 1 . . . . . . . . 6253 1 580 . 1 1 53 53 ASN C C 13 173.949 0.1 . 1 . . . . . . . . 6253 1 581 . 1 1 54 54 PHE N N 15 112.163 0.1 . 1 . . . . . . . . 6253 1 582 . 1 1 54 54 PHE H H 1 7.391 0.02 . 1 . . . . . . . . 6253 1 583 . 1 1 54 54 PHE CA C 13 55.478 0.1 . 1 . . . . . . . . 6253 1 584 . 1 1 54 54 PHE HA H 1 2.985 0.02 . 1 . . . . . . . . 6253 1 585 . 1 1 54 54 PHE CB C 13 34.452 0.1 . 1 . . . . . . . . 6253 1 586 . 1 1 54 54 PHE HB2 H 1 1.759 0.02 . 1 . . . . . . . . 6253 1 587 . 1 1 54 54 PHE C C 13 174.016 0.1 . 1 . . . . . . . . 6253 1 588 . 1 1 55 55 ALA N N 15 121.303 0.1 . 1 . . . . . . . . 6253 1 589 . 1 1 55 55 ALA H H 1 6.340 0.02 . 1 . . . . . . . . 6253 1 590 . 1 1 55 55 ALA CA C 13 50.133 0.1 . 1 . . . . . . . . 6253 1 591 . 1 1 55 55 ALA HA H 1 4.922 0.02 . 1 . . . . . . . . 6253 1 592 . 1 1 55 55 ALA HB1 H 1 1.288 0.02 . 1 . . . . . . . . 6253 1 593 . 1 1 55 55 ALA HB2 H 1 1.288 0.02 . 1 . . . . . . . . 6253 1 594 . 1 1 55 55 ALA HB3 H 1 1.288 0.02 . 1 . . . . . . . . 6253 1 595 . 1 1 55 55 ALA CB C 13 22.330 0.1 . 1 . . . . . . . . 6253 1 596 . 1 1 55 55 ALA C C 13 176.270 0.1 . 1 . . . . . . . . 6253 1 597 . 1 1 56 56 GLY N N 15 105.264 0.1 . 1 . . . . . . . . 6253 1 598 . 1 1 56 56 GLY H H 1 8.342 0.02 . 1 . . . . . . . . 6253 1 599 . 1 1 56 56 GLY CA C 13 44.109 0.1 . 1 . . . . . . . . 6253 1 600 . 1 1 56 56 GLY HA2 H 1 4.316 0.02 . 1 . . . . . . . . 6253 1 601 . 1 1 56 56 GLY HA3 H 1 3.710 0.02 . 1 . . . . . . . . 6253 1 602 . 1 1 56 56 GLY C C 13 174.429 0.1 . 1 . . . . . . . . 6253 1 603 . 1 1 57 57 TYR N N 15 121.249 0.1 . 1 . . . . . . . . 6253 1 604 . 1 1 57 57 TYR H H 1 8.288 0.02 . 1 . . . . . . . . 6253 1 605 . 1 1 57 57 TYR CA C 13 59.418 0.1 . 1 . . . . . . . . 6253 1 606 . 1 1 57 57 TYR HA H 1 4.217 0.02 . 1 . . . . . . . . 6253 1 607 . 1 1 57 57 TYR CB C 13 39.300 0.1 . 1 . . . . . . . . 6253 1 608 . 1 1 57 57 TYR HB2 H 1 2.894 0.02 . 1 . . . . . . . . 6253 1 609 . 1 1 57 57 TYR CD1 C 13 132.853 0.1 . 1 . . . . . . . . 6253 1 610 . 1 1 57 57 TYR CE1 C 13 118.137 0.1 . 1 . . . . . . . . 6253 1 611 . 1 1 57 57 TYR HE1 H 1 6.837 0.02 . 1 . . . . . . . . 6253 1 612 . 1 1 57 57 TYR HD1 H 1 7.219 0.02 . 1 . . . . . . . . 6253 1 613 . 1 1 57 57 TYR C C 13 173.754 0.1 . 1 . . . . . . . . 6253 1 614 . 1 1 58 58 MET N N 15 119.299 0.1 . 1 . . . . . . . . 6253 1 615 . 1 1 58 58 MET H H 1 7.719 0.02 . 1 . . . . . . . . 6253 1 616 . 1 1 58 58 MET CA C 13 52.600 0.1 . 1 . . . . . . . . 6253 1 617 . 1 1 58 58 MET HA H 1 5.101 0.02 . 1 . . . . . . . . 6253 1 618 . 1 1 58 58 MET CB C 13 36.135 0.1 . 1 . . . . . . . . 6253 1 619 . 1 1 58 58 MET HB2 H 1 1.631 0.02 . 1 . . . . . . . . 6253 1 620 . 1 1 58 58 MET HB3 H 1 2.050 0.02 . 1 . . . . . . . . 6253 1 621 . 1 1 58 58 MET HE1 H 1 1.930 0.02 . 1 . . . . . . . . 6253 1 622 . 1 1 58 58 MET HE2 H 1 1.930 0.02 . 1 . . . . . . . . 6253 1 623 . 1 1 58 58 MET HE3 H 1 1.930 0.02 . 1 . . . . . . . . 6253 1 624 . 1 1 58 58 MET CE C 13 17.700 0.1 . 1 . . . . . . . . 6253 1 625 . 1 1 58 58 MET C C 13 173.066 0.1 . 1 . . . . . . . . 6253 1 626 . 1 1 59 59 TYR N N 15 119.849 0.1 . 1 . . . . . . . . 6253 1 627 . 1 1 59 59 TYR H H 1 8.582 0.02 . 1 . . . . . . . . 6253 1 628 . 1 1 59 59 TYR CA C 13 55.073 0.1 . 1 . . . . . . . . 6253 1 629 . 1 1 59 59 TYR HA H 1 4.682 0.02 . 1 . . . . . . . . 6253 1 630 . 1 1 59 59 TYR CB C 13 40.702 0.1 . 1 . . . . . . . . 6253 1 631 . 1 1 59 59 TYR HB2 H 1 3.199 0.02 . 1 . . . . . . . . 6253 1 632 . 1 1 59 59 TYR HB3 H 1 2.366 0.02 . 1 . . . . . . . . 6253 1 633 . 1 1 59 59 TYR CD1 C 13 134.855 0.1 . 1 . . . . . . . . 6253 1 634 . 1 1 59 59 TYR CE1 C 13 117.823 0.1 . 1 . . . . . . . . 6253 1 635 . 1 1 59 59 TYR HE1 H 1 6.878 0.02 . 1 . . . . . . . . 6253 1 636 . 1 1 59 59 TYR HD1 H 1 7.138 0.02 . 1 . . . . . . . . 6253 1 637 . 1 1 59 59 TYR C C 13 174.682 0.1 . 1 . . . . . . . . 6253 1 638 . 1 1 60 60 ILE N N 15 122.918 0.1 . 1 . . . . . . . . 6253 1 639 . 1 1 60 60 ILE H H 1 8.156 0.02 . 1 . . . . . . . . 6253 1 640 . 1 1 60 60 ILE CA C 13 58.820 0.1 . 1 . . . . . . . . 6253 1 641 . 1 1 60 60 ILE HA H 1 4.953 0.02 . 1 . . . . . . . . 6253 1 642 . 1 1 60 60 ILE CB C 13 36.401 0.1 . 1 . . . . . . . . 6253 1 643 . 1 1 60 60 ILE HB H 1 2.048 0.02 . 1 . . . . . . . . 6253 1 644 . 1 1 60 60 ILE HG21 H 1 0.687 0.02 . 1 . . . . . . . . 6253 1 645 . 1 1 60 60 ILE HG22 H 1 0.687 0.02 . 1 . . . . . . . . 6253 1 646 . 1 1 60 60 ILE HG23 H 1 0.687 0.02 . 1 . . . . . . . . 6253 1 647 . 1 1 60 60 ILE CG2 C 13 18.281 0.1 . 1 . . . . . . . . 6253 1 648 . 1 1 60 60 ILE CG1 C 13 27.578 0.1 . 1 . . . . . . . . 6253 1 649 . 1 1 60 60 ILE HG12 H 1 1.478 0.02 . 1 . . . . . . . . 6253 1 650 . 1 1 60 60 ILE HG13 H 1 1.199 0.02 . 1 . . . . . . . . 6253 1 651 . 1 1 60 60 ILE HD11 H 1 0.674 0.02 . 1 . . . . . . . . 6253 1 652 . 1 1 60 60 ILE HD12 H 1 0.674 0.02 . 1 . . . . . . . . 6253 1 653 . 1 1 60 60 ILE HD13 H 1 0.674 0.02 . 1 . . . . . . . . 6253 1 654 . 1 1 60 60 ILE CD1 C 13 11.930 0.1 . 1 . . . . . . . . 6253 1 655 . 1 1 60 60 ILE C C 13 175.907 0.1 . 1 . . . . . . . . 6253 1 656 . 1 1 61 61 LEU N N 15 131.595 0.1 . 1 . . . . . . . . 6253 1 657 . 1 1 61 61 LEU H H 1 9.579 0.02 . 1 . . . . . . . . 6253 1 658 . 1 1 61 61 LEU CA C 13 52.703 0.1 . 1 . . . . . . . . 6253 1 659 . 1 1 61 61 LEU HA H 1 5.050 0.02 . 1 . . . . . . . . 6253 1 660 . 1 1 61 61 LEU CB C 13 44.710 0.1 . 1 . . . . . . . . 6253 1 661 . 1 1 61 61 LEU HB2 H 1 1.407 0.02 . 1 . . . . . . . . 6253 1 662 . 1 1 61 61 LEU CG C 13 29.360 0.1 . 1 . . . . . . . . 6253 1 663 . 1 1 61 61 LEU HG H 1 1.131 0.02 . 1 . . . . . . . . 6253 1 664 . 1 1 61 61 LEU HD11 H 1 0.283 0.02 . 1 . . . . . . . . 6253 1 665 . 1 1 61 61 LEU HD12 H 1 0.283 0.02 . 1 . . . . . . . . 6253 1 666 . 1 1 61 61 LEU HD13 H 1 0.283 0.02 . 1 . . . . . . . . 6253 1 667 . 1 1 61 61 LEU HD21 H 1 -0.165 0.02 . 1 . . . . . . . . 6253 1 668 . 1 1 61 61 LEU HD22 H 1 -0.165 0.02 . 1 . . . . . . . . 6253 1 669 . 1 1 61 61 LEU HD23 H 1 -0.165 0.02 . 1 . . . . . . . . 6253 1 670 . 1 1 61 61 LEU CD1 C 13 26.200 0.1 . 1 . . . . . . . . 6253 1 671 . 1 1 61 61 LEU CD2 C 13 26.200 0.1 . 1 . . . . . . . . 6253 1 672 . 1 1 62 62 PRO CD C 13 50.940 0.1 . 1 . . . . . . . . 6253 1 673 . 1 1 62 62 PRO CA C 13 61.200 0.1 . 1 . . . . . . . . 6253 1 674 . 1 1 62 62 PRO HA H 1 5.073 0.02 . 1 . . . . . . . . 6253 1 675 . 1 1 62 62 PRO CB C 13 33.389 0.1 . 1 . . . . . . . . 6253 1 676 . 1 1 62 62 PRO HB2 H 1 2.459 0.02 . 1 . . . . . . . . 6253 1 677 . 1 1 62 62 PRO HB3 H 1 2.124 0.02 . 1 . . . . . . . . 6253 1 678 . 1 1 62 62 PRO CG C 13 27.031 0.1 . 1 . . . . . . . . 6253 1 679 . 1 1 62 62 PRO HG2 H 1 2.017 0.02 . 1 . . . . . . . . 6253 1 680 . 1 1 62 62 PRO HD2 H 1 4.150 0.02 . 1 . . . . . . . . 6253 1 681 . 1 1 62 62 PRO HD3 H 1 3.688 0.02 . 1 . . . . . . . . 6253 1 682 . 1 1 62 62 PRO C C 13 176.787 0.1 . 1 . . . . . . . . 6253 1 683 . 1 1 63 63 GLN N N 15 120.592 0.1 . 1 . . . . . . . . 6253 1 684 . 1 1 63 63 GLN H H 1 8.498 0.02 . 1 . . . . . . . . 6253 1 685 . 1 1 63 63 GLN CA C 13 57.492 0.1 . 1 . . . . . . . . 6253 1 686 . 1 1 63 63 GLN HA H 1 4.022 0.02 . 1 . . . . . . . . 6253 1 687 . 1 1 63 63 GLN CB C 13 29.313 0.1 . 1 . . . . . . . . 6253 1 688 . 1 1 63 63 GLN HB2 H 1 2.113 0.02 . 1 . . . . . . . . 6253 1 689 . 1 1 63 63 GLN HB3 H 1 2.054 0.02 . 1 . . . . . . . . 6253 1 690 . 1 1 63 63 GLN CG C 13 33.590 0.1 . 1 . . . . . . . . 6253 1 691 . 1 1 63 63 GLN HG2 H 1 2.487 0.02 . 1 . . . . . . . . 6253 1 692 . 1 1 63 63 GLN HG3 H 1 2.324 0.02 . 1 . . . . . . . . 6253 1 693 . 1 1 63 63 GLN CD C 13 180.458 0.1 . 1 . . . . . . . . 6253 1 694 . 1 1 63 63 GLN NE2 N 15 111.817 0.1 . 1 . . . . . . . . 6253 1 695 . 1 1 63 63 GLN HE21 H 1 7.515 0.02 . 1 . . . . . . . . 6253 1 696 . 1 1 63 63 GLN HE22 H 1 6.847 0.02 . 1 . . . . . . . . 6253 1 697 . 1 1 63 63 GLN C C 13 175.506 0.1 . 1 . . . . . . . . 6253 1 698 . 1 1 64 64 GLY N N 15 111.423 0.1 . 1 . . . . . . . . 6253 1 699 . 1 1 64 64 GLY H H 1 8.634 0.02 . 1 . . . . . . . . 6253 1 700 . 1 1 64 64 GLY CA C 13 44.487 0.1 . 1 . . . . . . . . 6253 1 701 . 1 1 64 64 GLY HA2 H 1 4.219 0.02 . 1 . . . . . . . . 6253 1 702 . 1 1 64 64 GLY HA3 H 1 3.868 0.02 . 1 . . . . . . . . 6253 1 703 . 1 1 64 64 GLY C C 13 171.210 0.1 . 1 . . . . . . . . 6253 1 704 . 1 1 65 65 GLU N N 15 117.421 0.1 . 1 . . . . . . . . 6253 1 705 . 1 1 65 65 GLU H H 1 8.201 0.02 . 1 . . . . . . . . 6253 1 706 . 1 1 65 65 GLU CA C 13 55.618 0.1 . 1 . . . . . . . . 6253 1 707 . 1 1 65 65 GLU HA H 1 4.818 0.02 . 1 . . . . . . . . 6253 1 708 . 1 1 65 65 GLU CB C 13 32.200 0.1 . 1 . . . . . . . . 6253 1 709 . 1 1 65 65 GLU HB2 H 1 1.991 0.02 . 1 . . . . . . . . 6253 1 710 . 1 1 65 65 GLU CG C 13 36.054 0.1 . 1 . . . . . . . . 6253 1 711 . 1 1 65 65 GLU HG2 H 1 2.264 0.02 . 1 . . . . . . . . 6253 1 712 . 1 1 65 65 GLU HG3 H 1 1.909 0.02 . 1 . . . . . . . . 6253 1 713 . 1 1 65 65 GLU CD C 13 182.984 0.1 . 1 . . . . . . . . 6253 1 714 . 1 1 65 65 GLU C C 13 175.866 0.1 . 1 . . . . . . . . 6253 1 715 . 1 1 66 66 TYR N N 15 118.958 0.1 . 1 . . . . . . . . 6253 1 716 . 1 1 66 66 TYR H H 1 9.205 0.02 . 1 . . . . . . . . 6253 1 717 . 1 1 66 66 TYR CA C 13 54.944 0.1 . 1 . . . . . . . . 6253 1 718 . 1 1 66 66 TYR HA H 1 5.159 0.02 . 1 . . . . . . . . 6253 1 719 . 1 1 66 66 TYR CB C 13 39.856 0.1 . 1 . . . . . . . . 6253 1 720 . 1 1 66 66 TYR HB2 H 1 3.794 0.02 . 1 . . . . . . . . 6253 1 721 . 1 1 66 66 TYR HB3 H 1 3.237 0.02 . 1 . . . . . . . . 6253 1 722 . 1 1 66 66 TYR CD1 C 13 133.808 0.1 . 1 . . . . . . . . 6253 1 723 . 1 1 66 66 TYR CE1 C 13 117.655 0.1 . 1 . . . . . . . . 6253 1 724 . 1 1 66 66 TYR HE1 H 1 6.858 0.02 . 1 . . . . . . . . 6253 1 725 . 1 1 66 66 TYR HD1 H 1 7.069 0.02 . 1 . . . . . . . . 6253 1 726 . 1 1 66 66 TYR C C 13 174.326 0.1 . 1 . . . . . . . . 6253 1 727 . 1 1 67 67 PRO CD C 13 51.740 0.1 . 1 . . . . . . . . 6253 1 728 . 1 1 67 67 PRO CA C 13 65.080 0.1 . 1 . . . . . . . . 6253 1 729 . 1 1 67 67 PRO HA H 1 3.706 0.02 . 1 . . . . . . . . 6253 1 730 . 1 1 67 67 PRO CB C 13 32.488 0.1 . 1 . . . . . . . . 6253 1 731 . 1 1 67 67 PRO HB2 H 1 2.133 0.02 . 1 . . . . . . . . 6253 1 732 . 1 1 67 67 PRO CG C 13 27.031 0.1 . 1 . . . . . . . . 6253 1 733 . 1 1 67 67 PRO HG2 H 1 2.181 0.02 . 1 . . . . . . . . 6253 1 734 . 1 1 67 67 PRO HG3 H 1 1.955 0.02 . 1 . . . . . . . . 6253 1 735 . 1 1 67 67 PRO HD2 H 1 3.924 0.02 . 1 . . . . . . . . 6253 1 736 . 1 1 67 67 PRO HD3 H 1 3.845 0.02 . 1 . . . . . . . . 6253 1 737 . 1 1 67 67 PRO C C 13 173.589 0.1 . 1 . . . . . . . . 6253 1 738 . 1 1 68 68 GLU N N 15 112.339 0.1 . 1 . . . . . . . . 6253 1 739 . 1 1 68 68 GLU H H 1 6.908 0.02 . 1 . . . . . . . . 6253 1 740 . 1 1 68 68 GLU CA C 13 54.420 0.1 . 1 . . . . . . . . 6253 1 741 . 1 1 68 68 GLU HA H 1 5.351 0.02 . 1 . . . . . . . . 6253 1 742 . 1 1 68 68 GLU CB C 13 32.799 0.1 . 1 . . . . . . . . 6253 1 743 . 1 1 68 68 GLU HB2 H 1 2.194 0.02 . 1 . . . . . . . . 6253 1 744 . 1 1 68 68 GLU HB3 H 1 1.778 0.02 . 1 . . . . . . . . 6253 1 745 . 1 1 68 68 GLU CG C 13 36.054 0.1 . 1 . . . . . . . . 6253 1 746 . 1 1 68 68 GLU HG2 H 1 2.071 0.02 . 1 . . . . . . . . 6253 1 747 . 1 1 68 68 GLU HG3 H 1 1.944 0.02 . 1 . . . . . . . . 6253 1 748 . 1 1 68 68 GLU CD C 13 183.582 0.1 . 1 . . . . . . . . 6253 1 749 . 1 1 68 68 GLU C C 13 177.717 0.1 . 1 . . . . . . . . 6253 1 750 . 1 1 69 69 TYR N N 15 121.310 0.1 . 1 . . . . . . . . 6253 1 751 . 1 1 69 69 TYR H H 1 8.312 0.02 . 1 . . . . . . . . 6253 1 752 . 1 1 69 69 TYR CA C 13 57.930 0.1 . 1 . . . . . . . . 6253 1 753 . 1 1 69 69 TYR HA H 1 1.217 0.02 . 1 . . . . . . . . 6253 1 754 . 1 1 69 69 TYR CB C 13 38.587 0.1 . 1 . . . . . . . . 6253 1 755 . 1 1 69 69 TYR HB2 H 1 2.311 0.02 . 1 . . . . . . . . 6253 1 756 . 1 1 69 69 TYR HB3 H 1 2.208 0.02 . 1 . . . . . . . . 6253 1 757 . 1 1 69 69 TYR CD1 C 13 133.963 0.1 . 1 . . . . . . . . 6253 1 758 . 1 1 69 69 TYR CE1 C 13 117.163 0.1 . 1 . . . . . . . . 6253 1 759 . 1 1 69 69 TYR HE1 H 1 6.534 0.02 . 1 . . . . . . . . 6253 1 760 . 1 1 69 69 TYR HD1 H 1 6.599 0.02 . 1 . . . . . . . . 6253 1 761 . 1 1 69 69 TYR C C 13 178.433 0.1 . 1 . . . . . . . . 6253 1 762 . 1 1 70 70 GLN N N 15 123.339 0.1 . 1 . . . . . . . . 6253 1 763 . 1 1 70 70 GLN H H 1 8.391 0.02 . 1 . . . . . . . . 6253 1 764 . 1 1 70 70 GLN CA C 13 59.170 0.1 . 1 . . . . . . . . 6253 1 765 . 1 1 70 70 GLN HA H 1 3.826 0.02 . 1 . . . . . . . . 6253 1 766 . 1 1 70 70 GLN CB C 13 27.031 0.1 . 1 . . . . . . . . 6253 1 767 . 1 1 70 70 GLN HB2 H 1 1.844 0.02 . 1 . . . . . . . . 6253 1 768 . 1 1 70 70 GLN HB3 H 1 1.754 0.02 . 1 . . . . . . . . 6253 1 769 . 1 1 70 70 GLN CG C 13 34.300 0.1 . 1 . . . . . . . . 6253 1 770 . 1 1 70 70 GLN HG2 H 1 2.418 0.02 . 1 . . . . . . . . 6253 1 771 . 1 1 70 70 GLN HG3 H 1 2.080 0.02 . 1 . . . . . . . . 6253 1 772 . 1 1 70 70 GLN CD C 13 179.895 0.1 . 1 . . . . . . . . 6253 1 773 . 1 1 70 70 GLN NE2 N 15 109.321 0.1 . 1 . . . . . . . . 6253 1 774 . 1 1 70 70 GLN HE21 H 1 7.112 0.02 . 1 . . . . . . . . 6253 1 775 . 1 1 70 70 GLN HE22 H 1 6.196 0.02 . 1 . . . . . . . . 6253 1 776 . 1 1 70 70 GLN C C 13 180.014 0.1 . 1 . . . . . . . . 6253 1 777 . 1 1 71 71 ARG N N 15 117.393 0.1 . 1 . . . . . . . . 6253 1 778 . 1 1 71 71 ARG H H 1 7.989 0.02 . 1 . . . . . . . . 6253 1 779 . 1 1 71 71 ARG CA C 13 55.981 0.1 . 1 . . . . . . . . 6253 1 780 . 1 1 71 71 ARG HA H 1 4.381 0.02 . 1 . . . . . . . . 6253 1 781 . 1 1 71 71 ARG CB C 13 29.313 0.1 . 1 . . . . . . . . 6253 1 782 . 1 1 71 71 ARG HB2 H 1 2.569 0.02 . 1 . . . . . . . . 6253 1 783 . 1 1 71 71 ARG HB3 H 1 2.451 0.02 . 1 . . . . . . . . 6253 1 784 . 1 1 71 71 ARG CG C 13 27.851 0.1 . 1 . . . . . . . . 6253 1 785 . 1 1 71 71 ARG HG2 H 1 1.893 0.02 . 1 . . . . . . . . 6253 1 786 . 1 1 71 71 ARG CD C 13 41.250 0.1 . 1 . . . . . . . . 6253 1 787 . 1 1 71 71 ARG HD2 H 1 3.426 0.02 . 1 . . . . . . . . 6253 1 788 . 1 1 71 71 ARG NE N 15 83.569 0.1 . 1 . . . . . . . . 6253 1 789 . 1 1 71 71 ARG HE H 1 7.682 0.02 . 1 . . . . . . . . 6253 1 790 . 1 1 71 71 ARG CZ C 13 159.880 0.1 . 1 . . . . . . . . 6253 1 791 . 1 1 71 71 ARG C C 13 177.437 0.1 . 1 . . . . . . . . 6253 1 792 . 1 1 72 72 TRP N N 15 116.395 0.1 . 1 . . . . . . . . 6253 1 793 . 1 1 72 72 TRP H H 1 7.246 0.02 . 1 . . . . . . . . 6253 1 794 . 1 1 72 72 TRP CA C 13 56.732 0.1 . 1 . . . . . . . . 6253 1 795 . 1 1 72 72 TRP HA H 1 5.299 0.02 . 1 . . . . . . . . 6253 1 796 . 1 1 72 72 TRP CB C 13 27.275 0.1 . 1 . . . . . . . . 6253 1 797 . 1 1 72 72 TRP HB2 H 1 3.467 0.02 . 1 . . . . . . . . 6253 1 798 . 1 1 72 72 TRP HB3 H 1 2.563 0.02 . 1 . . . . . . . . 6253 1 799 . 1 1 72 72 TRP CD1 C 13 128.489 0.1 . 1 . . . . . . . . 6253 1 800 . 1 1 72 72 TRP CE2 C 13 138.610 0.1 . 1 . . . . . . . . 6253 1 801 . 1 1 72 72 TRP NE1 N 15 130.173 0.1 . 1 . . . . . . . . 6253 1 802 . 1 1 72 72 TRP HD1 H 1 6.072 0.02 . 1 . . . . . . . . 6253 1 803 . 1 1 72 72 TRP CZ2 C 13 115.475 0.1 . 1 . . . . . . . . 6253 1 804 . 1 1 72 72 TRP HE1 H 1 9.922 0.02 . 1 . . . . . . . . 6253 1 805 . 1 1 72 72 TRP CH2 C 13 122.957 0.1 . 1 . . . . . . . . 6253 1 806 . 1 1 72 72 TRP HZ2 H 1 7.307 0.02 . 1 . . . . . . . . 6253 1 807 . 1 1 72 72 TRP HH2 H 1 6.669 0.02 . 1 . . . . . . . . 6253 1 808 . 1 1 72 72 TRP C C 13 174.877 0.1 . 1 . . . . . . . . 6253 1 809 . 1 1 73 73 MET N N 15 113.201 0.1 . 1 . . . . . . . . 6253 1 810 . 1 1 73 73 MET H H 1 7.629 0.02 . 1 . . . . . . . . 6253 1 811 . 1 1 73 73 MET CA C 13 56.304 0.1 . 1 . . . . . . . . 6253 1 812 . 1 1 73 73 MET HA H 1 4.004 0.02 . 1 . . . . . . . . 6253 1 813 . 1 1 73 73 MET CB C 13 29.402 0.1 . 1 . . . . . . . . 6253 1 814 . 1 1 73 73 MET HB2 H 1 2.795 0.02 . 1 . . . . . . . . 6253 1 815 . 1 1 73 73 MET HB3 H 1 2.386 0.02 . 1 . . . . . . . . 6253 1 816 . 1 1 73 73 MET CG C 13 32.773 0.1 . 1 . . . . . . . . 6253 1 817 . 1 1 73 73 MET HG2 H 1 2.849 0.02 . 1 . . . . . . . . 6253 1 818 . 1 1 73 73 MET HG3 H 1 2.632 0.02 . 1 . . . . . . . . 6253 1 819 . 1 1 73 73 MET HE1 H 1 2.398 0.02 . 1 . . . . . . . . 6253 1 820 . 1 1 73 73 MET HE2 H 1 2.398 0.02 . 1 . . . . . . . . 6253 1 821 . 1 1 73 73 MET HE3 H 1 2.398 0.02 . 1 . . . . . . . . 6253 1 822 . 1 1 73 73 MET CE C 13 17.070 0.1 . 1 . . . . . . . . 6253 1 823 . 1 1 73 73 MET C C 13 176.273 0.1 . 1 . . . . . . . . 6253 1 824 . 1 1 74 74 GLY N N 15 105.395 0.1 . 1 . . . . . . . . 6253 1 825 . 1 1 74 74 GLY H H 1 7.514 0.02 . 1 . . . . . . . . 6253 1 826 . 1 1 74 74 GLY CA C 13 45.800 0.1 . 1 . . . . . . . . 6253 1 827 . 1 1 74 74 GLY HA2 H 1 3.721 0.02 . 1 . . . . . . . . 6253 1 828 . 1 1 74 74 GLY HA3 H 1 2.882 0.02 . 1 . . . . . . . . 6253 1 829 . 1 1 74 74 GLY C C 13 173.874 0.1 . 1 . . . . . . . . 6253 1 830 . 1 1 75 75 LEU N N 15 120.927 0.1 . 1 . . . . . . . . 6253 1 831 . 1 1 75 75 LEU H H 1 7.530 0.02 . 1 . . . . . . . . 6253 1 832 . 1 1 75 75 LEU CA C 13 55.650 0.1 . 1 . . . . . . . . 6253 1 833 . 1 1 75 75 LEU HA H 1 4.325 0.02 . 1 . . . . . . . . 6253 1 834 . 1 1 75 75 LEU CB C 13 42.914 0.1 . 1 . . . . . . . . 6253 1 835 . 1 1 75 75 LEU HB2 H 1 1.484 0.02 . 1 . . . . . . . . 6253 1 836 . 1 1 75 75 LEU HB3 H 1 1.325 0.02 . 1 . . . . . . . . 6253 1 837 . 1 1 75 75 LEU CG C 13 28.000 0.1 . 1 . . . . . . . . 6253 1 838 . 1 1 75 75 LEU HG H 1 1.662 0.02 . 1 . . . . . . . . 6253 1 839 . 1 1 75 75 LEU HD11 H 1 0.774 0.02 . 1 . . . . . . . . 6253 1 840 . 1 1 75 75 LEU HD12 H 1 0.774 0.02 . 1 . . . . . . . . 6253 1 841 . 1 1 75 75 LEU HD13 H 1 0.774 0.02 . 1 . . . . . . . . 6253 1 842 . 1 1 75 75 LEU HD21 H 1 0.609 0.02 . 1 . . . . . . . . 6253 1 843 . 1 1 75 75 LEU HD22 H 1 0.609 0.02 . 1 . . . . . . . . 6253 1 844 . 1 1 75 75 LEU HD23 H 1 0.609 0.02 . 1 . . . . . . . . 6253 1 845 . 1 1 75 75 LEU CD1 C 13 23.203 0.1 . 1 . . . . . . . . 6253 1 846 . 1 1 75 75 LEU CD2 C 13 24.200 0.1 . 1 . . . . . . . . 6253 1 847 . 1 1 75 75 LEU C C 13 177.048 0.1 . 1 . . . . . . . . 6253 1 848 . 1 1 76 76 ASN N N 15 112.014 0.1 . 1 . . . . . . . . 6253 1 849 . 1 1 76 76 ASN H H 1 7.297 0.02 . 1 . . . . . . . . 6253 1 850 . 1 1 76 76 ASN CA C 13 51.108 0.1 . 1 . . . . . . . . 6253 1 851 . 1 1 76 76 ASN HA H 1 3.598 0.02 . 1 . . . . . . . . 6253 1 852 . 1 1 76 76 ASN CB C 13 37.464 0.1 . 1 . . . . . . . . 6253 1 853 . 1 1 76 76 ASN HB2 H 1 3.269 0.02 . 1 . . . . . . . . 6253 1 854 . 1 1 76 76 ASN HB3 H 1 2.848 0.02 . 1 . . . . . . . . 6253 1 855 . 1 1 76 76 ASN CG C 13 176.776 0.1 . 1 . . . . . . . . 6253 1 856 . 1 1 76 76 ASN ND2 N 15 115.475 0.1 . 1 . . . . . . . . 6253 1 857 . 1 1 76 76 ASN HD21 H 1 7.746 0.02 . 1 . . . . . . . . 6253 1 858 . 1 1 76 76 ASN HD22 H 1 7.165 0.02 . 1 . . . . . . . . 6253 1 859 . 1 1 76 76 ASN C C 13 171.660 0.1 . 1 . . . . . . . . 6253 1 860 . 1 1 77 77 ASP N N 15 114.539 0.1 . 1 . . . . . . . . 6253 1 861 . 1 1 77 77 ASP H H 1 7.725 0.02 . 1 . . . . . . . . 6253 1 862 . 1 1 77 77 ASP CA C 13 52.348 0.1 . 1 . . . . . . . . 6253 1 863 . 1 1 77 77 ASP HA H 1 4.630 0.02 . 1 . . . . . . . . 6253 1 864 . 1 1 77 77 ASP CB C 13 39.236 0.1 . 1 . . . . . . . . 6253 1 865 . 1 1 77 77 ASP HB2 H 1 3.133 0.02 . 1 . . . . . . . . 6253 1 866 . 1 1 77 77 ASP HB3 H 1 2.562 0.02 . 1 . . . . . . . . 6253 1 867 . 1 1 77 77 ASP C C 13 175.761 0.1 . 1 . . . . . . . . 6253 1 868 . 1 1 78 78 ARG N N 15 119.012 0.1 . 1 . . . . . . . . 6253 1 869 . 1 1 78 78 ARG H H 1 7.831 0.02 . 1 . . . . . . . . 6253 1 870 . 1 1 78 78 ARG CA C 13 55.272 0.1 . 1 . . . . . . . . 6253 1 871 . 1 1 78 78 ARG HA H 1 4.693 0.02 . 1 . . . . . . . . 6253 1 872 . 1 1 78 78 ARG CB C 13 30.406 0.1 . 1 . . . . . . . . 6253 1 873 . 1 1 78 78 ARG HB2 H 1 1.866 0.02 . 1 . . . . . . . . 6253 1 874 . 1 1 78 78 ARG CG C 13 26.757 0.1 . 1 . . . . . . . . 6253 1 875 . 1 1 78 78 ARG HG2 H 1 1.627 0.02 . 1 . . . . . . . . 6253 1 876 . 1 1 78 78 ARG CD C 13 43.450 0.1 . 1 . . . . . . . . 6253 1 877 . 1 1 78 78 ARG HD2 H 1 3.209 0.02 . 1 . . . . . . . . 6253 1 878 . 1 1 78 78 ARG NE N 15 85.364 0.1 . 1 . . . . . . . . 6253 1 879 . 1 1 78 78 ARG HE H 1 7.314 0.02 . 1 . . . . . . . . 6253 1 880 . 1 1 78 78 ARG CZ C 13 159.890 0.1 . 1 . . . . . . . . 6253 1 881 . 1 1 78 78 ARG C C 13 175.264 0.1 . 1 . . . . . . . . 6253 1 882 . 1 1 79 79 LEU N N 15 122.660 0.1 . 1 . . . . . . . . 6253 1 883 . 1 1 79 79 LEU H H 1 7.096 0.02 . 1 . . . . . . . . 6253 1 884 . 1 1 79 79 LEU CA C 13 54.829 0.1 . 1 . . . . . . . . 6253 1 885 . 1 1 79 79 LEU HA H 1 4.988 0.02 . 1 . . . . . . . . 6253 1 886 . 1 1 79 79 LEU CB C 13 48.001 0.1 . 1 . . . . . . . . 6253 1 887 . 1 1 79 79 LEU HB2 H 1 1.596 0.02 . 1 . . . . . . . . 6253 1 888 . 1 1 79 79 LEU HB3 H 1 1.361 0.02 . 1 . . . . . . . . 6253 1 889 . 1 1 79 79 LEU CG C 13 27.150 0.1 . 1 . . . . . . . . 6253 1 890 . 1 1 79 79 LEU HG H 1 1.816 0.02 . 1 . . . . . . . . 6253 1 891 . 1 1 79 79 LEU HD11 H 1 1.189 0.02 . 1 . . . . . . . . 6253 1 892 . 1 1 79 79 LEU HD12 H 1 1.189 0.02 . 1 . . . . . . . . 6253 1 893 . 1 1 79 79 LEU HD13 H 1 1.189 0.02 . 1 . . . . . . . . 6253 1 894 . 1 1 79 79 LEU HD21 H 1 0.876 0.02 . 1 . . . . . . . . 6253 1 895 . 1 1 79 79 LEU HD22 H 1 0.876 0.02 . 1 . . . . . . . . 6253 1 896 . 1 1 79 79 LEU HD23 H 1 0.876 0.02 . 1 . . . . . . . . 6253 1 897 . 1 1 79 79 LEU CD1 C 13 24.023 0.1 . 1 . . . . . . . . 6253 1 898 . 1 1 79 79 LEU CD2 C 13 27.540 0.1 . 1 . . . . . . . . 6253 1 899 . 1 1 79 79 LEU C C 13 176.269 0.1 . 1 . . . . . . . . 6253 1 900 . 1 1 80 80 SER N N 15 109.204 0.1 . 1 . . . . . . . . 6253 1 901 . 1 1 80 80 SER H H 1 8.693 0.02 . 1 . . . . . . . . 6253 1 902 . 1 1 80 80 SER CA C 13 57.841 0.1 . 1 . . . . . . . . 6253 1 903 . 1 1 80 80 SER HA H 1 3.431 0.02 . 1 . . . . . . . . 6253 1 904 . 1 1 80 80 SER CB C 13 66.612 0.1 . 1 . . . . . . . . 6253 1 905 . 1 1 80 80 SER HB2 H 1 3.352 0.02 . 1 . . . . . . . . 6253 1 906 . 1 1 80 80 SER HB3 H 1 2.941 0.02 . 1 . . . . . . . . 6253 1 907 . 1 1 80 80 SER C C 13 171.343 0.1 . 1 . . . . . . . . 6253 1 908 . 1 1 81 81 SER N N 15 109.926 0.1 . 1 . . . . . . . . 6253 1 909 . 1 1 81 81 SER H H 1 7.648 0.02 . 1 . . . . . . . . 6253 1 910 . 1 1 81 81 SER CA C 13 59.000 0.1 . 1 . . . . . . . . 6253 1 911 . 1 1 81 81 SER HA H 1 4.559 0.02 . 1 . . . . . . . . 6253 1 912 . 1 1 81 81 SER CB C 13 65.780 0.1 . 1 . . . . . . . . 6253 1 913 . 1 1 81 81 SER HB2 H 1 4.093 0.02 . 1 . . . . . . . . 6253 1 914 . 1 1 81 81 SER HB3 H 1 3.889 0.02 . 1 . . . . . . . . 6253 1 915 . 1 1 81 81 SER C C 13 174.213 0.1 . 1 . . . . . . . . 6253 1 916 . 1 1 82 82 CYS N N 15 112.909 0.1 . 1 . . . . . . . . 6253 1 917 . 1 1 82 82 CYS H H 1 9.684 0.02 . 1 . . . . . . . . 6253 1 918 . 1 1 82 82 CYS CA C 13 56.450 0.1 . 1 . . . . . . . . 6253 1 919 . 1 1 82 82 CYS HA H 1 6.448 0.02 . 1 . . . . . . . . 6253 1 920 . 1 1 82 82 CYS CB C 13 32.857 0.1 . 1 . . . . . . . . 6253 1 921 . 1 1 82 82 CYS HB2 H 1 3.724 0.02 . 1 . . . . . . . . 6253 1 922 . 1 1 82 82 CYS HB3 H 1 3.610 0.02 . 1 . . . . . . . . 6253 1 923 . 1 1 82 82 CYS C C 13 172.106 0.1 . 1 . . . . . . . . 6253 1 924 . 1 1 83 83 ARG N N 15 119.517 0.1 . 1 . . . . . . . . 6253 1 925 . 1 1 83 83 ARG H H 1 10.060 0.02 . 1 . . . . . . . . 6253 1 926 . 1 1 83 83 ARG CA C 13 55.095 0.1 . 1 . . . . . . . . 6253 1 927 . 1 1 83 83 ARG HA H 1 4.975 0.02 . 1 . . . . . . . . 6253 1 928 . 1 1 83 83 ARG CB C 13 34.140 0.1 . 1 . . . . . . . . 6253 1 929 . 1 1 83 83 ARG HB2 H 1 1.673 0.02 . 1 . . . . . . . . 6253 1 930 . 1 1 83 83 ARG CG C 13 27.031 0.1 . 1 . . . . . . . . 6253 1 931 . 1 1 83 83 ARG HG2 H 1 1.348 0.02 . 1 . . . . . . . . 6253 1 932 . 1 1 83 83 ARG CD C 13 43.164 0.1 . 1 . . . . . . . . 6253 1 933 . 1 1 83 83 ARG HD2 H 1 2.437 0.02 . 1 . . . . . . . . 6253 1 934 . 1 1 83 83 ARG NE N 15 83.746 0.1 . 1 . . . . . . . . 6253 1 935 . 1 1 83 83 ARG HE H 1 6.570 0.02 . 1 . . . . . . . . 6253 1 936 . 1 1 83 83 ARG CZ C 13 159.522 0.1 . 1 . . . . . . . . 6253 1 937 . 1 1 83 83 ARG C C 13 173.511 0.1 . 1 . . . . . . . . 6253 1 938 . 1 1 84 84 ALA N N 15 127.508 0.1 . 1 . . . . . . . . 6253 1 939 . 1 1 84 84 ALA H H 1 8.216 0.02 . 1 . . . . . . . . 6253 1 940 . 1 1 84 84 ALA CA C 13 51.374 0.1 . 1 . . . . . . . . 6253 1 941 . 1 1 84 84 ALA HA H 1 3.218 0.02 . 1 . . . . . . . . 6253 1 942 . 1 1 84 84 ALA HB1 H 1 0.193 0.02 . 1 . . . . . . . . 6253 1 943 . 1 1 84 84 ALA HB2 H 1 0.193 0.02 . 1 . . . . . . . . 6253 1 944 . 1 1 84 84 ALA HB3 H 1 0.193 0.02 . 1 . . . . . . . . 6253 1 945 . 1 1 84 84 ALA CB C 13 17.310 0.1 . 1 . . . . . . . . 6253 1 946 . 1 1 84 84 ALA C C 13 177.019 0.1 . 1 . . . . . . . . 6253 1 947 . 1 1 85 85 VAL N N 15 122.867 0.1 . 1 . . . . . . . . 6253 1 948 . 1 1 85 85 VAL H H 1 8.002 0.02 . 1 . . . . . . . . 6253 1 949 . 1 1 85 85 VAL CA C 13 61.828 0.1 . 1 . . . . . . . . 6253 1 950 . 1 1 85 85 VAL HA H 1 3.707 0.02 . 1 . . . . . . . . 6253 1 951 . 1 1 85 85 VAL CB C 13 31.705 0.1 . 1 . . . . . . . . 6253 1 952 . 1 1 85 85 VAL HB H 1 1.561 0.02 . 1 . . . . . . . . 6253 1 953 . 1 1 85 85 VAL HG11 H 1 0.729 0.02 . 1 . . . . . . . . 6253 1 954 . 1 1 85 85 VAL HG12 H 1 0.729 0.02 . 1 . . . . . . . . 6253 1 955 . 1 1 85 85 VAL HG13 H 1 0.729 0.02 . 1 . . . . . . . . 6253 1 956 . 1 1 85 85 VAL HG21 H 1 0.644 0.02 . 1 . . . . . . . . 6253 1 957 . 1 1 85 85 VAL HG22 H 1 0.644 0.02 . 1 . . . . . . . . 6253 1 958 . 1 1 85 85 VAL HG23 H 1 0.644 0.02 . 1 . . . . . . . . 6253 1 959 . 1 1 85 85 VAL CG1 C 13 21.450 0.1 . 1 . . . . . . . . 6253 1 960 . 1 1 85 85 VAL CG2 C 13 21.450 0.1 . 1 . . . . . . . . 6253 1 961 . 1 1 85 85 VAL C C 13 174.885 0.1 . 1 . . . . . . . . 6253 1 962 . 1 1 86 86 HIS N N 15 126.303 0.1 . 1 . . . . . . . . 6253 1 963 . 1 1 86 86 HIS H H 1 8.474 0.02 . 1 . . . . . . . . 6253 1 964 . 1 1 86 86 HIS CA C 13 54.600 0.1 . 1 . . . . . . . . 6253 1 965 . 1 1 86 86 HIS HA H 1 4.611 0.02 . 1 . . . . . . . . 6253 1 966 . 1 1 86 86 HIS CB C 13 29.490 0.1 . 1 . . . . . . . . 6253 1 967 . 1 1 86 86 HIS HB2 H 1 2.983 0.02 . 1 . . . . . . . . 6253 1 968 . 1 1 86 86 HIS ND1 N 15 199.149 0.1 . 1 . . . . . . . . 6253 1 969 . 1 1 86 86 HIS CD2 C 13 119.651 0.1 . 1 . . . . . . . . 6253 1 970 . 1 1 86 86 HIS CE1 C 13 137.032 0.1 . 1 . . . . . . . . 6253 1 971 . 1 1 86 86 HIS NE2 N 15 175.523 0.1 . 1 . . . . . . . . 6253 1 972 . 1 1 86 86 HIS HD2 H 1 7.036 0.02 . 1 . . . . . . . . 6253 1 973 . 1 1 86 86 HIS HE1 H 1 8.100 0.02 . 1 . . . . . . . . 6253 1 974 . 1 1 86 86 HIS C C 13 174.216 0.1 . 1 . . . . . . . . 6253 1 975 . 1 1 87 87 LEU N N 15 126.500 0.1 . 1 . . . . . . . . 6253 1 976 . 1 1 87 87 LEU H H 1 8.539 0.02 . 1 . . . . . . . . 6253 1 977 . 1 1 87 87 LEU CA C 13 52.289 0.1 . 1 . . . . . . . . 6253 1 978 . 1 1 87 87 LEU HA H 1 4.557 0.02 . 1 . . . . . . . . 6253 1 979 . 1 1 87 87 LEU CB C 13 41.185 0.1 . 1 . . . . . . . . 6253 1 980 . 1 1 87 87 LEU HB2 H 1 1.603 0.02 . 1 . . . . . . . . 6253 1 981 . 1 1 87 87 LEU HB3 H 1 1.472 0.02 . 1 . . . . . . . . 6253 1 982 . 1 1 87 87 LEU CG C 13 27.304 0.1 . 1 . . . . . . . . 6253 1 983 . 1 1 87 87 LEU HG H 1 1.604 0.02 . 1 . . . . . . . . 6253 1 984 . 1 1 87 87 LEU HD11 H 1 0.804 0.02 . 1 . . . . . . . . 6253 1 985 . 1 1 87 87 LEU HD12 H 1 0.804 0.02 . 1 . . . . . . . . 6253 1 986 . 1 1 87 87 LEU HD13 H 1 0.804 0.02 . 1 . . . . . . . . 6253 1 987 . 1 1 87 87 LEU HD21 H 1 0.740 0.02 . 1 . . . . . . . . 6253 1 988 . 1 1 87 87 LEU HD22 H 1 0.740 0.02 . 1 . . . . . . . . 6253 1 989 . 1 1 87 87 LEU HD23 H 1 0.740 0.02 . 1 . . . . . . . . 6253 1 990 . 1 1 87 87 LEU CD1 C 13 25.090 0.1 . 1 . . . . . . . . 6253 1 991 . 1 1 87 87 LEU CD2 C 13 23.476 0.1 . 1 . . . . . . . . 6253 1 992 . 1 1 87 87 LEU C C 13 175.348 0.1 . 1 . . . . . . . . 6253 1 993 . 1 1 88 88 PRO CD C 13 50.080 0.1 . 1 . . . . . . . . 6253 1 994 . 1 1 88 88 PRO CA C 13 62.130 0.1 . 1 . . . . . . . . 6253 1 995 . 1 1 88 88 PRO HA H 1 4.517 0.02 . 1 . . . . . . . . 6253 1 996 . 1 1 88 88 PRO CB C 13 32.000 0.1 . 1 . . . . . . . . 6253 1 997 . 1 1 88 88 PRO HB2 H 1 2.257 0.02 . 1 . . . . . . . . 6253 1 998 . 1 1 88 88 PRO HB3 H 1 2.017 0.02 . 1 . . . . . . . . 6253 1 999 . 1 1 88 88 PRO CG C 13 27.400 0.1 . 1 . . . . . . . . 6253 1 1000 . 1 1 88 88 PRO HG2 H 1 1.899 0.02 . 1 . . . . . . . . 6253 1 1001 . 1 1 88 88 PRO HG3 H 1 1.786 0.02 . 1 . . . . . . . . 6253 1 1002 . 1 1 88 88 PRO HD2 H 1 3.645 0.02 . 1 . . . . . . . . 6253 1 1003 . 1 1 88 88 PRO C C 13 177.393 0.1 . 1 . . . . . . . . 6253 1 1004 . 1 1 89 89 SER N N 15 117.792 0.1 . 1 . . . . . . . . 6253 1 1005 . 1 1 89 89 SER H H 1 8.596 0.02 . 1 . . . . . . . . 6253 1 1006 . 1 1 89 89 SER CA C 13 59.023 0.1 . 1 . . . . . . . . 6253 1 1007 . 1 1 89 89 SER HA H 1 4.393 0.02 . 1 . . . . . . . . 6253 1 1008 . 1 1 89 89 SER CB C 13 63.250 0.1 . 1 . . . . . . . . 6253 1 1009 . 1 1 89 89 SER HB2 H 1 3.888 0.02 . 1 . . . . . . . . 6253 1 1010 . 1 1 89 89 SER C C 13 176.030 0.1 . 1 . . . . . . . . 6253 1 1011 . 1 1 90 90 GLY N N 15 111.213 0.1 . 1 . . . . . . . . 6253 1 1012 . 1 1 90 90 GLY H H 1 8.528 0.02 . 1 . . . . . . . . 6253 1 1013 . 1 1 90 90 GLY CA C 13 45.750 0.1 . 1 . . . . . . . . 6253 1 1014 . 1 1 90 90 GLY HA2 H 1 3.905 0.02 . 1 . . . . . . . . 6253 1 1015 . 1 1 90 90 GLY HA3 H 1 4.115 0.02 . 1 . . . . . . . . 6253 1 1016 . 1 1 90 90 GLY C C 13 175.581 0.1 . 1 . . . . . . . . 6253 1 1017 . 1 1 91 91 GLY N N 15 107.173 0.1 . 1 . . . . . . . . 6253 1 1018 . 1 1 91 91 GLY H H 1 7.964 0.02 . 1 . . . . . . . . 6253 1 1019 . 1 1 91 91 GLY CA C 13 45.792 0.1 . 1 . . . . . . . . 6253 1 1020 . 1 1 91 91 GLY HA2 H 1 3.901 0.02 . 1 . . . . . . . . 6253 1 1021 . 1 1 91 91 GLY C C 13 173.508 0.1 . 1 . . . . . . . . 6253 1 1022 . 1 1 92 92 GLN N N 15 118.304 0.1 . 1 . . . . . . . . 6253 1 1023 . 1 1 92 92 GLN H H 1 7.788 0.02 . 1 . . . . . . . . 6253 1 1024 . 1 1 92 92 GLN CA C 13 54.900 0.1 . 1 . . . . . . . . 6253 1 1025 . 1 1 92 92 GLN HA H 1 4.502 0.02 . 1 . . . . . . . . 6253 1 1026 . 1 1 92 92 GLN CB C 13 30.040 0.1 . 1 . . . . . . . . 6253 1 1027 . 1 1 92 92 GLN HB2 H 1 2.002 0.02 . 1 . . . . . . . . 6253 1 1028 . 1 1 92 92 GLN HB3 H 1 1.828 0.02 . 1 . . . . . . . . 6253 1 1029 . 1 1 92 92 GLN CG C 13 33.867 0.1 . 1 . . . . . . . . 6253 1 1030 . 1 1 92 92 GLN HG2 H 1 2.271 0.02 . 1 . . . . . . . . 6253 1 1031 . 1 1 92 92 GLN CD C 13 180.784 0.1 . 1 . . . . . . . . 6253 1 1032 . 1 1 92 92 GLN NE2 N 15 112.507 0.1 . 1 . . . . . . . . 6253 1 1033 . 1 1 92 92 GLN HE21 H 1 7.466 0.02 . 1 . . . . . . . . 6253 1 1034 . 1 1 92 92 GLN HE22 H 1 6.801 0.02 . 1 . . . . . . . . 6253 1 1035 . 1 1 92 92 GLN C C 13 174.368 0.1 . 1 . . . . . . . . 6253 1 1036 . 1 1 93 93 TYR N N 15 118.987 0.1 . 1 . . . . . . . . 6253 1 1037 . 1 1 93 93 TYR H H 1 8.274 0.02 . 1 . . . . . . . . 6253 1 1038 . 1 1 93 93 TYR CA C 13 56.500 0.1 . 1 . . . . . . . . 6253 1 1039 . 1 1 93 93 TYR HA H 1 4.492 0.02 . 1 . . . . . . . . 6253 1 1040 . 1 1 93 93 TYR CB C 13 40.570 0.1 . 1 . . . . . . . . 6253 1 1041 . 1 1 93 93 TYR HB2 H 1 2.751 0.02 . 1 . . . . . . . . 6253 1 1042 . 1 1 93 93 TYR CD1 C 13 133.118 0.1 . 1 . . . . . . . . 6253 1 1043 . 1 1 93 93 TYR CE1 C 13 119.025 0.1 . 1 . . . . . . . . 6253 1 1044 . 1 1 93 93 TYR HE1 H 1 6.856 0.02 . 1 . . . . . . . . 6253 1 1045 . 1 1 93 93 TYR HD1 H 1 6.648 0.02 . 1 . . . . . . . . 6253 1 1046 . 1 1 93 93 TYR C C 13 175.217 0.1 . 1 . . . . . . . . 6253 1 1047 . 1 1 94 94 LYS N N 15 122.633 0.1 . 1 . . . . . . . . 6253 1 1048 . 1 1 94 94 LYS H H 1 9.082 0.02 . 1 . . . . . . . . 6253 1 1049 . 1 1 94 94 LYS CA C 13 57.841 0.1 . 1 . . . . . . . . 6253 1 1050 . 1 1 94 94 LYS HA H 1 5.026 0.02 . 1 . . . . . . . . 6253 1 1051 . 1 1 94 94 LYS CB C 13 35.137 0.1 . 1 . . . . . . . . 6253 1 1052 . 1 1 94 94 LYS HB2 H 1 2.070 0.02 . 1 . . . . . . . . 6253 1 1053 . 1 1 94 94 LYS HB3 H 1 1.581 0.02 . 1 . . . . . . . . 6253 1 1054 . 1 1 94 94 LYS CG C 13 25.250 0.1 . 1 . . . . . . . . 6253 1 1055 . 1 1 94 94 LYS HG2 H 1 1.277 0.02 . 1 . . . . . . . . 6253 1 1056 . 1 1 94 94 LYS CD C 13 28.945 0.1 . 1 . . . . . . . . 6253 1 1057 . 1 1 94 94 LYS HD2 H 1 1.710 0.02 . 1 . . . . . . . . 6253 1 1058 . 1 1 94 94 LYS CE C 13 41.250 0.1 . 1 . . . . . . . . 6253 1 1059 . 1 1 94 94 LYS HE2 H 1 2.929 0.02 . 1 . . . . . . . . 6253 1 1060 . 1 1 94 94 LYS HE3 H 1 2.780 0.02 . 1 . . . . . . . . 6253 1 1061 . 1 1 94 94 LYS C C 13 173.199 0.1 . 1 . . . . . . . . 6253 1 1062 . 1 1 95 95 ILE N N 15 128.646 0.1 . 1 . . . . . . . . 6253 1 1063 . 1 1 95 95 ILE H H 1 8.979 0.02 . 1 . . . . . . . . 6253 1 1064 . 1 1 95 95 ILE CA C 13 59.300 0.1 . 1 . . . . . . . . 6253 1 1065 . 1 1 95 95 ILE HA H 1 4.862 0.02 . 1 . . . . . . . . 6253 1 1066 . 1 1 95 95 ILE CB C 13 42.900 0.1 . 1 . . . . . . . . 6253 1 1067 . 1 1 95 95 ILE HB H 1 0.079 0.02 . 1 . . . . . . . . 6253 1 1068 . 1 1 95 95 ILE HG21 H 1 -0.413 0.02 . 1 . . . . . . . . 6253 1 1069 . 1 1 95 95 ILE HG22 H 1 -0.413 0.02 . 1 . . . . . . . . 6253 1 1070 . 1 1 95 95 ILE HG23 H 1 -0.413 0.02 . 1 . . . . . . . . 6253 1 1071 . 1 1 95 95 ILE CG2 C 13 15.108 0.1 . 1 . . . . . . . . 6253 1 1072 . 1 1 95 95 ILE CG1 C 13 28.398 0.1 . 1 . . . . . . . . 6253 1 1073 . 1 1 95 95 ILE HG12 H 1 0.912 0.02 . 1 . . . . . . . . 6253 1 1074 . 1 1 95 95 ILE HG13 H 1 0.182 0.02 . 1 . . . . . . . . 6253 1 1075 . 1 1 95 95 ILE HD11 H 1 -0.547 0.02 . 1 . . . . . . . . 6253 1 1076 . 1 1 95 95 ILE HD12 H 1 -0.547 0.02 . 1 . . . . . . . . 6253 1 1077 . 1 1 95 95 ILE HD13 H 1 -0.547 0.02 . 1 . . . . . . . . 6253 1 1078 . 1 1 95 95 ILE CD1 C 13 13.085 0.1 . 1 . . . . . . . . 6253 1 1079 . 1 1 95 95 ILE C C 13 171.505 0.1 . 1 . . . . . . . . 6253 1 1080 . 1 1 96 96 GLN N N 15 122.795 0.1 . 1 . . . . . . . . 6253 1 1081 . 1 1 96 96 GLN H H 1 8.691 0.02 . 1 . . . . . . . . 6253 1 1082 . 1 1 96 96 GLN CA C 13 53.550 0.1 . 1 . . . . . . . . 6253 1 1083 . 1 1 96 96 GLN HA H 1 5.134 0.02 . 1 . . . . . . . . 6253 1 1084 . 1 1 96 96 GLN CB C 13 30.858 0.1 . 1 . . . . . . . . 6253 1 1085 . 1 1 96 96 GLN HB2 H 1 2.044 0.02 . 1 . . . . . . . . 6253 1 1086 . 1 1 96 96 GLN HB3 H 1 1.564 0.02 . 1 . . . . . . . . 6253 1 1087 . 1 1 96 96 GLN CG C 13 33.867 0.1 . 1 . . . . . . . . 6253 1 1088 . 1 1 96 96 GLN HG2 H 1 2.201 0.02 . 1 . . . . . . . . 6253 1 1089 . 1 1 96 96 GLN CD C 13 178.618 0.1 . 1 . . . . . . . . 6253 1 1090 . 1 1 96 96 GLN NE2 N 15 109.225 0.1 . 1 . . . . . . . . 6253 1 1091 . 1 1 96 96 GLN HE21 H 1 7.905 0.02 . 1 . . . . . . . . 6253 1 1092 . 1 1 96 96 GLN HE22 H 1 6.316 0.02 . 1 . . . . . . . . 6253 1 1093 . 1 1 96 96 GLN C C 13 175.536 0.1 . 1 . . . . . . . . 6253 1 1094 . 1 1 97 97 ILE N N 15 116.405 0.1 . 1 . . . . . . . . 6253 1 1095 . 1 1 97 97 ILE H H 1 8.786 0.02 . 1 . . . . . . . . 6253 1 1096 . 1 1 97 97 ILE CA C 13 59.730 0.1 . 1 . . . . . . . . 6253 1 1097 . 1 1 97 97 ILE HA H 1 4.770 0.02 . 1 . . . . . . . . 6253 1 1098 . 1 1 97 97 ILE CB C 13 40.646 0.1 . 1 . . . . . . . . 6253 1 1099 . 1 1 97 97 ILE HB H 1 1.721 0.02 . 1 . . . . . . . . 6253 1 1100 . 1 1 97 97 ILE HG21 H 1 0.449 0.02 . 1 . . . . . . . . 6253 1 1101 . 1 1 97 97 ILE HG22 H 1 0.449 0.02 . 1 . . . . . . . . 6253 1 1102 . 1 1 97 97 ILE HG23 H 1 0.449 0.02 . 1 . . . . . . . . 6253 1 1103 . 1 1 97 97 ILE CG2 C 13 18.281 0.1 . 1 . . . . . . . . 6253 1 1104 . 1 1 97 97 ILE CG1 C 13 25.390 0.1 . 1 . . . . . . . . 6253 1 1105 . 1 1 97 97 ILE HG12 H 1 1.395 0.02 . 1 . . . . . . . . 6253 1 1106 . 1 1 97 97 ILE HG13 H 1 0.750 0.02 . 1 . . . . . . . . 6253 1 1107 . 1 1 97 97 ILE HD11 H 1 0.329 0.02 . 1 . . . . . . . . 6253 1 1108 . 1 1 97 97 ILE HD12 H 1 0.329 0.02 . 1 . . . . . . . . 6253 1 1109 . 1 1 97 97 ILE HD13 H 1 0.329 0.02 . 1 . . . . . . . . 6253 1 1110 . 1 1 97 97 ILE CD1 C 13 12.810 0.1 . 1 . . . . . . . . 6253 1 1111 . 1 1 97 97 ILE C C 13 173.424 0.1 . 1 . . . . . . . . 6253 1 1112 . 1 1 98 98 PHE N N 15 117.437 0.1 . 1 . . . . . . . . 6253 1 1113 . 1 1 98 98 PHE H H 1 8.065 0.02 . 1 . . . . . . . . 6253 1 1114 . 1 1 98 98 PHE CA C 13 56.800 0.1 . 1 . . . . . . . . 6253 1 1115 . 1 1 98 98 PHE HA H 1 5.508 0.02 . 1 . . . . . . . . 6253 1 1116 . 1 1 98 98 PHE CB C 13 41.370 0.1 . 1 . . . . . . . . 6253 1 1117 . 1 1 98 98 PHE HB2 H 1 3.411 0.02 . 1 . . . . . . . . 6253 1 1118 . 1 1 98 98 PHE C C 13 176.500 0.1 . 1 . . . . . . . . 6253 1 1119 . 1 1 99 99 GLU N N 15 120.771 0.1 . 1 . . . . . . . . 6253 1 1120 . 1 1 99 99 GLU H H 1 8.776 0.02 . 1 . . . . . . . . 6253 1 1121 . 1 1 99 99 GLU CA C 13 57.664 0.1 . 1 . . . . . . . . 6253 1 1122 . 1 1 99 99 GLU HA H 1 4.350 0.02 . 1 . . . . . . . . 6253 1 1123 . 1 1 99 99 GLU CB C 13 33.123 0.1 . 1 . . . . . . . . 6253 1 1124 . 1 1 99 99 GLU HB2 H 1 2.431 0.02 . 1 . . . . . . . . 6253 1 1125 . 1 1 99 99 GLU HB3 H 1 2.322 0.02 . 1 . . . . . . . . 6253 1 1126 . 1 1 99 99 GLU CG C 13 36.054 0.1 . 1 . . . . . . . . 6253 1 1127 . 1 1 99 99 GLU HG2 H 1 2.701 0.02 . 1 . . . . . . . . 6253 1 1128 . 1 1 99 99 GLU HG3 H 1 2.404 0.02 . 1 . . . . . . . . 6253 1 1129 . 1 1 99 99 GLU CD C 13 183.218 0.1 . 1 . . . . . . . . 6253 1 1130 . 1 1 99 99 GLU C C 13 175.985 0.1 . 1 . . . . . . . . 6253 1 1131 . 1 1 100 100 LYS N N 15 112.706 0.1 . 1 . . . . . . . . 6253 1 1132 . 1 1 100 100 LYS H H 1 7.828 0.02 . 1 . . . . . . . . 6253 1 1133 . 1 1 100 100 LYS CA C 13 53.854 0.1 . 1 . . . . . . . . 6253 1 1134 . 1 1 100 100 LYS HA H 1 4.523 0.02 . 1 . . . . . . . . 6253 1 1135 . 1 1 100 100 LYS CB C 13 35.781 0.1 . 1 . . . . . . . . 6253 1 1136 . 1 1 100 100 LYS HB2 H 1 1.777 0.02 . 1 . . . . . . . . 6253 1 1137 . 1 1 100 100 LYS HB3 H 1 1.464 0.02 . 1 . . . . . . . . 6253 1 1138 . 1 1 100 100 LYS CG C 13 25.664 0.1 . 1 . . . . . . . . 6253 1 1139 . 1 1 100 100 LYS HG2 H 1 1.319 0.02 . 1 . . . . . . . . 6253 1 1140 . 1 1 100 100 LYS HG3 H 1 1.207 0.02 . 1 . . . . . . . . 6253 1 1141 . 1 1 100 100 LYS CD C 13 28.900 0.1 . 1 . . . . . . . . 6253 1 1142 . 1 1 100 100 LYS HD2 H 1 1.621 0.02 . 1 . . . . . . . . 6253 1 1143 . 1 1 100 100 LYS HD3 H 1 1.467 0.02 . 1 . . . . . . . . 6253 1 1144 . 1 1 100 100 LYS CE C 13 41.800 0.1 . 1 . . . . . . . . 6253 1 1145 . 1 1 100 100 LYS HE2 H 1 2.925 0.02 . 1 . . . . . . . . 6253 1 1146 . 1 1 100 100 LYS C C 13 176.315 0.1 . 1 . . . . . . . . 6253 1 1147 . 1 1 101 101 GLY N N 15 106.616 0.1 . 1 . . . . . . . . 6253 1 1148 . 1 1 101 101 GLY H H 1 8.504 0.02 . 1 . . . . . . . . 6253 1 1149 . 1 1 101 101 GLY CA C 13 44.729 0.1 . 1 . . . . . . . . 6253 1 1150 . 1 1 101 101 GLY HA2 H 1 3.818 0.02 . 1 . . . . . . . . 6253 1 1151 . 1 1 101 101 GLY C C 13 173.457 0.1 . 1 . . . . . . . . 6253 1 1152 . 1 1 102 102 ASP N N 15 114.806 0.1 . 1 . . . . . . . . 6253 1 1153 . 1 1 102 102 ASP H H 1 8.944 0.02 . 1 . . . . . . . . 6253 1 1154 . 1 1 102 102 ASP CA C 13 55.715 0.1 . 1 . . . . . . . . 6253 1 1155 . 1 1 102 102 ASP HA H 1 3.118 0.02 . 1 . . . . . . . . 6253 1 1156 . 1 1 102 102 ASP CB C 13 38.882 0.1 . 1 . . . . . . . . 6253 1 1157 . 1 1 102 102 ASP HB2 H 1 2.633 0.02 . 1 . . . . . . . . 6253 1 1158 . 1 1 102 102 ASP HB3 H 1 2.384 0.02 . 1 . . . . . . . . 6253 1 1159 . 1 1 102 102 ASP CG C 13 181.972 0.1 . 1 . . . . . . . . 6253 1 1160 . 1 1 102 102 ASP C C 13 174.188 0.1 . 1 . . . . . . . . 6253 1 1161 . 1 1 103 103 PHE N N 15 111.512 0.1 . 1 . . . . . . . . 6253 1 1162 . 1 1 103 103 PHE H H 1 7.866 0.02 . 1 . . . . . . . . 6253 1 1163 . 1 1 103 103 PHE CA C 13 55.172 0.1 . 1 . . . . . . . . 6253 1 1164 . 1 1 103 103 PHE HA H 1 2.627 0.02 . 1 . . . . . . . . 6253 1 1165 . 1 1 103 103 PHE CB C 13 35.338 0.1 . 1 . . . . . . . . 6253 1 1166 . 1 1 103 103 PHE HB2 H 1 2.964 0.02 . 1 . . . . . . . . 6253 1 1167 . 1 1 103 103 PHE HB3 H 1 2.067 0.02 . 1 . . . . . . . . 6253 1 1168 . 1 1 103 103 PHE CD1 C 13 131.190 0.1 . 1 . . . . . . . . 6253 1 1169 . 1 1 103 103 PHE HD1 H 1 6.601 0.02 . 1 . . . . . . . . 6253 1 1170 . 1 1 103 103 PHE C C 13 175.147 0.1 . 1 . . . . . . . . 6253 1 1171 . 1 1 104 104 SER N N 15 113.423 0.1 . 1 . . . . . . . . 6253 1 1172 . 1 1 104 104 SER H H 1 6.463 0.02 . 1 . . . . . . . . 6253 1 1173 . 1 1 104 104 SER CA C 13 56.979 0.1 . 1 . . . . . . . . 6253 1 1174 . 1 1 104 104 SER HA H 1 4.896 0.02 . 1 . . . . . . . . 6253 1 1175 . 1 1 104 104 SER CB C 13 65.549 0.1 . 1 . . . . . . . . 6253 1 1176 . 1 1 104 104 SER HB2 H 1 3.761 0.02 . 1 . . . . . . . . 6253 1 1177 . 1 1 104 104 SER C C 13 173.065 0.1 . 1 . . . . . . . . 6253 1 1178 . 1 1 105 105 GLY N N 15 106.014 0.1 . 1 . . . . . . . . 6253 1 1179 . 1 1 105 105 GLY H H 1 8.249 0.02 . 1 . . . . . . . . 6253 1 1180 . 1 1 105 105 GLY CA C 13 44.197 0.1 . 1 . . . . . . . . 6253 1 1181 . 1 1 105 105 GLY HA2 H 1 4.106 0.02 . 1 . . . . . . . . 6253 1 1182 . 1 1 105 105 GLY HA3 H 1 3.856 0.02 . 1 . . . . . . . . 6253 1 1183 . 1 1 105 105 GLY C C 13 173.379 0.1 . 1 . . . . . . . . 6253 1 1184 . 1 1 106 106 GLN N N 15 120.695 0.1 . 1 . . . . . . . . 6253 1 1185 . 1 1 106 106 GLN H H 1 8.768 0.02 . 1 . . . . . . . . 6253 1 1186 . 1 1 106 106 GLN CA C 13 57.044 0.1 . 1 . . . . . . . . 6253 1 1187 . 1 1 106 106 GLN HA H 1 3.900 0.02 . 1 . . . . . . . . 6253 1 1188 . 1 1 106 106 GLN CB C 13 29.481 0.1 . 1 . . . . . . . . 6253 1 1189 . 1 1 106 106 GLN HB2 H 1 2.046 0.02 . 1 . . . . . . . . 6253 1 1190 . 1 1 106 106 GLN HB3 H 1 1.849 0.02 . 1 . . . . . . . . 6253 1 1191 . 1 1 106 106 GLN CG C 13 33.730 0.1 . 1 . . . . . . . . 6253 1 1192 . 1 1 106 106 GLN HG2 H 1 2.364 0.02 . 1 . . . . . . . . 6253 1 1193 . 1 1 106 106 GLN HG3 H 1 1.914 0.02 . 1 . . . . . . . . 6253 1 1194 . 1 1 106 106 GLN CD C 13 180.318 0.1 . 1 . . . . . . . . 6253 1 1195 . 1 1 106 106 GLN NE2 N 15 113.776 0.1 . 1 . . . . . . . . 6253 1 1196 . 1 1 106 106 GLN HE21 H 1 6.925 0.02 . 1 . . . . . . . . 6253 1 1197 . 1 1 106 106 GLN HE22 H 1 6.835 0.02 . 1 . . . . . . . . 6253 1 1198 . 1 1 106 106 GLN C C 13 173.499 0.1 . 1 . . . . . . . . 6253 1 1199 . 1 1 107 107 MET N N 15 124.046 0.1 . 1 . . . . . . . . 6253 1 1200 . 1 1 107 107 MET H H 1 7.595 0.02 . 1 . . . . . . . . 6253 1 1201 . 1 1 107 107 MET CA C 13 52.614 0.1 . 1 . . . . . . . . 6253 1 1202 . 1 1 107 107 MET HA H 1 4.985 0.02 . 1 . . . . . . . . 6253 1 1203 . 1 1 107 107 MET CB C 13 35.397 0.1 . 1 . . . . . . . . 6253 1 1204 . 1 1 107 107 MET HB2 H 1 1.521 0.02 . 1 . . . . . . . . 6253 1 1205 . 1 1 107 107 MET CG C 13 31.840 0.1 . 1 . . . . . . . . 6253 1 1206 . 1 1 107 107 MET HG2 H 1 1.454 0.02 . 1 . . . . . . . . 6253 1 1207 . 1 1 107 107 MET HE1 H 1 1.800 0.02 . 1 . . . . . . . . 6253 1 1208 . 1 1 107 107 MET HE2 H 1 1.800 0.02 . 1 . . . . . . . . 6253 1 1209 . 1 1 107 107 MET HE3 H 1 1.800 0.02 . 1 . . . . . . . . 6253 1 1210 . 1 1 107 107 MET CE C 13 17.200 0.1 . 1 . . . . . . . . 6253 1 1211 . 1 1 107 107 MET C C 13 175.524 0.1 . 1 . . . . . . . . 6253 1 1212 . 1 1 108 108 TYR N N 15 122.124 0.1 . 1 . . . . . . . . 6253 1 1213 . 1 1 108 108 TYR H H 1 8.194 0.02 . 1 . . . . . . . . 6253 1 1214 . 1 1 108 108 TYR CA C 13 57.407 0.1 . 1 . . . . . . . . 6253 1 1215 . 1 1 108 108 TYR HA H 1 4.603 0.02 . 1 . . . . . . . . 6253 1 1216 . 1 1 108 108 TYR CB C 13 41.923 0.1 . 1 . . . . . . . . 6253 1 1217 . 1 1 108 108 TYR HB2 H 1 2.593 0.02 . 1 . . . . . . . . 6253 1 1218 . 1 1 108 108 TYR HB3 H 1 1.754 0.02 . 1 . . . . . . . . 6253 1 1219 . 1 1 108 108 TYR CD1 C 13 133.687 0.1 . 1 . . . . . . . . 6253 1 1220 . 1 1 108 108 TYR CE1 C 13 118.183 0.1 . 1 . . . . . . . . 6253 1 1221 . 1 1 108 108 TYR HE1 H 1 6.941 0.02 . 1 . . . . . . . . 6253 1 1222 . 1 1 108 108 TYR HD1 H 1 7.010 0.02 . 1 . . . . . . . . 6253 1 1223 . 1 1 108 108 TYR C C 13 173.472 0.1 . 1 . . . . . . . . 6253 1 1224 . 1 1 109 109 GLU N N 15 122.861 0.1 . 1 . . . . . . . . 6253 1 1225 . 1 1 109 109 GLU H H 1 8.692 0.02 . 1 . . . . . . . . 6253 1 1226 . 1 1 109 109 GLU CA C 13 53.798 0.1 . 1 . . . . . . . . 6253 1 1227 . 1 1 109 109 GLU HA H 1 5.451 0.02 . 1 . . . . . . . . 6253 1 1228 . 1 1 109 109 GLU CB C 13 33.920 0.1 . 1 . . . . . . . . 6253 1 1229 . 1 1 109 109 GLU HB2 H 1 2.044 0.02 . 1 . . . . . . . . 6253 1 1230 . 1 1 109 109 GLU HB3 H 1 1.920 0.02 . 1 . . . . . . . . 6253 1 1231 . 1 1 109 109 GLU CG C 13 37.740 0.1 . 1 . . . . . . . . 6253 1 1232 . 1 1 109 109 GLU HG2 H 1 2.035 0.02 . 1 . . . . . . . . 6253 1 1233 . 1 1 109 109 GLU CD C 13 183.312 0.1 . 1 . . . . . . . . 6253 1 1234 . 1 1 109 109 GLU C C 13 175.431 0.1 . 1 . . . . . . . . 6253 1 1235 . 1 1 110 110 THR N N 15 118.075 0.1 . 1 . . . . . . . . 6253 1 1236 . 1 1 110 110 THR H H 1 8.838 0.02 . 1 . . . . . . . . 6253 1 1237 . 1 1 110 110 THR CA C 13 59.599 0.1 . 1 . . . . . . . . 6253 1 1238 . 1 1 110 110 THR HA H 1 5.251 0.02 . 1 . . . . . . . . 6253 1 1239 . 1 1 110 110 THR CB C 13 70.510 0.1 . 1 . . . . . . . . 6253 1 1240 . 1 1 110 110 THR HB H 1 4.409 0.02 . 1 . . . . . . . . 6253 1 1241 . 1 1 110 110 THR HG21 H 1 1.471 0.02 . 1 . . . . . . . . 6253 1 1242 . 1 1 110 110 THR HG22 H 1 1.471 0.02 . 1 . . . . . . . . 6253 1 1243 . 1 1 110 110 THR HG23 H 1 1.471 0.02 . 1 . . . . . . . . 6253 1 1244 . 1 1 110 110 THR CG2 C 13 19.790 0.1 . 1 . . . . . . . . 6253 1 1245 . 1 1 110 110 THR C C 13 171.477 0.1 . 1 . . . . . . . . 6253 1 1246 . 1 1 111 111 THR N N 15 114.960 0.1 . 1 . . . . . . . . 6253 1 1247 . 1 1 111 111 THR H H 1 8.076 0.02 . 1 . . . . . . . . 6253 1 1248 . 1 1 111 111 THR CA C 13 60.940 0.1 . 1 . . . . . . . . 6253 1 1249 . 1 1 111 111 THR HA H 1 5.218 0.02 . 1 . . . . . . . . 6253 1 1250 . 1 1 111 111 THR CB C 13 70.140 0.1 . 1 . . . . . . . . 6253 1 1251 . 1 1 111 111 THR HB H 1 4.962 0.02 . 1 . . . . . . . . 6253 1 1252 . 1 1 111 111 THR HG21 H 1 1.489 0.02 . 1 . . . . . . . . 6253 1 1253 . 1 1 111 111 THR HG22 H 1 1.489 0.02 . 1 . . . . . . . . 6253 1 1254 . 1 1 111 111 THR HG23 H 1 1.489 0.02 . 1 . . . . . . . . 6253 1 1255 . 1 1 111 111 THR CG2 C 13 21.080 0.1 . 1 . . . . . . . . 6253 1 1256 . 1 1 111 111 THR C C 13 173.719 0.1 . 1 . . . . . . . . 6253 1 1257 . 1 1 112 112 GLU N N 15 121.915 0.1 . 1 . . . . . . . . 6253 1 1258 . 1 1 112 112 GLU H H 1 8.409 0.02 . 1 . . . . . . . . 6253 1 1259 . 1 1 112 112 GLU CA C 13 54.500 0.1 . 1 . . . . . . . . 6253 1 1260 . 1 1 112 112 GLU HA H 1 4.744 0.02 . 1 . . . . . . . . 6253 1 1261 . 1 1 112 112 GLU CB C 13 34.009 0.1 . 1 . . . . . . . . 6253 1 1262 . 1 1 112 112 GLU HB2 H 1 2.346 0.02 . 1 . . . . . . . . 6253 1 1263 . 1 1 112 112 GLU HB3 H 1 1.939 0.02 . 1 . . . . . . . . 6253 1 1264 . 1 1 112 112 GLU CG C 13 36.328 0.1 . 1 . . . . . . . . 6253 1 1265 . 1 1 112 112 GLU HG2 H 1 2.438 0.02 . 1 . . . . . . . . 6253 1 1266 . 1 1 112 112 GLU HG3 H 1 2.306 0.02 . 1 . . . . . . . . 6253 1 1267 . 1 1 112 112 GLU CD C 13 184.639 0.1 . 1 . . . . . . . . 6253 1 1268 . 1 1 112 112 GLU C C 13 175.078 0.1 . 1 . . . . . . . . 6253 1 1269 . 1 1 113 113 ASP N N 15 118.648 0.1 . 1 . . . . . . . . 6253 1 1270 . 1 1 113 113 ASP H H 1 8.212 0.02 . 1 . . . . . . . . 6253 1 1271 . 1 1 113 113 ASP CA C 13 55.892 0.1 . 1 . . . . . . . . 6253 1 1272 . 1 1 113 113 ASP HA H 1 4.781 0.02 . 1 . . . . . . . . 6253 1 1273 . 1 1 113 113 ASP CB C 13 41.036 0.1 . 1 . . . . . . . . 6253 1 1274 . 1 1 113 113 ASP HB2 H 1 3.326 0.02 . 1 . . . . . . . . 6253 1 1275 . 1 1 113 113 ASP HB3 H 1 2.564 0.02 . 1 . . . . . . . . 6253 1 1276 . 1 1 113 113 ASP C C 13 176.239 0.1 . 1 . . . . . . . . 6253 1 1277 . 1 1 114 114 CYS N N 15 121.075 0.1 . 1 . . . . . . . . 6253 1 1278 . 1 1 114 114 CYS H H 1 8.951 0.02 . 1 . . . . . . . . 6253 1 1279 . 1 1 114 114 CYS CA C 13 55.500 0.1 . 1 . . . . . . . . 6253 1 1280 . 1 1 114 114 CYS HA H 1 4.948 0.02 . 1 . . . . . . . . 6253 1 1281 . 1 1 114 114 CYS CB C 13 28.300 0.1 . 1 . . . . . . . . 6253 1 1282 . 1 1 114 114 CYS HB2 H 1 2.336 0.02 . 1 . . . . . . . . 6253 1 1283 . 1 1 114 114 CYS HB3 H 1 1.055 0.02 . 1 . . . . . . . . 6253 1 1284 . 1 1 114 114 CYS C C 13 172.805 0.1 . 1 . . . . . . . . 6253 1 1285 . 1 1 115 115 PRO CD C 13 50.547 0.1 . 1 . . . . . . . . 6253 1 1286 . 1 1 115 115 PRO CA C 13 64.180 0.1 . 1 . . . . . . . . 6253 1 1287 . 1 1 115 115 PRO HA H 1 3.941 0.02 . 1 . . . . . . . . 6253 1 1288 . 1 1 115 115 PRO CB C 13 31.700 0.1 . 1 . . . . . . . . 6253 1 1289 . 1 1 115 115 PRO HB2 H 1 1.898 0.02 . 1 . . . . . . . . 6253 1 1290 . 1 1 115 115 PRO CG C 13 26.120 0.1 . 1 . . . . . . . . 6253 1 1291 . 1 1 115 115 PRO HG2 H 1 1.969 0.02 . 1 . . . . . . . . 6253 1 1292 . 1 1 115 115 PRO HD2 H 1 3.950 0.02 . 1 . . . . . . . . 6253 1 1293 . 1 1 115 115 PRO HD3 H 1 3.486 0.02 . 1 . . . . . . . . 6253 1 1294 . 1 1 115 115 PRO C C 13 175.895 0.1 . 1 . . . . . . . . 6253 1 1295 . 1 1 116 116 SER N N 15 111.648 0.1 . 1 . . . . . . . . 6253 1 1296 . 1 1 116 116 SER H H 1 7.120 0.02 . 1 . . . . . . . . 6253 1 1297 . 1 1 116 116 SER CA C 13 56.689 0.1 . 1 . . . . . . . . 6253 1 1298 . 1 1 116 116 SER HA H 1 4.921 0.02 . 1 . . . . . . . . 6253 1 1299 . 1 1 116 116 SER CB C 13 62.470 0.1 . 1 . . . . . . . . 6253 1 1300 . 1 1 116 116 SER HB2 H 1 3.962 0.02 . 1 . . . . . . . . 6253 1 1301 . 1 1 116 116 SER HB3 H 1 3.535 0.02 . 1 . . . . . . . . 6253 1 1302 . 1 1 116 116 SER C C 13 175.323 0.1 . 1 . . . . . . . . 6253 1 1303 . 1 1 117 117 ILE N N 15 131.621 0.1 . 1 . . . . . . . . 6253 1 1304 . 1 1 117 117 ILE H H 1 8.642 0.02 . 1 . . . . . . . . 6253 1 1305 . 1 1 117 117 ILE CA C 13 64.746 0.1 . 1 . . . . . . . . 6253 1 1306 . 1 1 117 117 ILE HA H 1 3.993 0.02 . 1 . . . . . . . . 6253 1 1307 . 1 1 117 117 ILE CB C 13 38.472 0.1 . 1 . . . . . . . . 6253 1 1308 . 1 1 117 117 ILE HB H 1 1.822 0.02 . 1 . . . . . . . . 6253 1 1309 . 1 1 117 117 ILE HG21 H 1 1.021 0.02 . 1 . . . . . . . . 6253 1 1310 . 1 1 117 117 ILE HG22 H 1 1.021 0.02 . 1 . . . . . . . . 6253 1 1311 . 1 1 117 117 ILE HG23 H 1 1.021 0.02 . 1 . . . . . . . . 6253 1 1312 . 1 1 117 117 ILE CG2 C 13 18.007 0.1 . 1 . . . . . . . . 6253 1 1313 . 1 1 117 117 ILE CG1 C 13 27.940 0.1 . 1 . . . . . . . . 6253 1 1314 . 1 1 117 117 ILE HG12 H 1 1.539 0.02 . 1 . . . . . . . . 6253 1 1315 . 1 1 117 117 ILE HG13 H 1 1.044 0.02 . 1 . . . . . . . . 6253 1 1316 . 1 1 117 117 ILE HD11 H 1 0.663 0.02 . 1 . . . . . . . . 6253 1 1317 . 1 1 117 117 ILE HD12 H 1 0.663 0.02 . 1 . . . . . . . . 6253 1 1318 . 1 1 117 117 ILE HD13 H 1 0.663 0.02 . 1 . . . . . . . . 6253 1 1319 . 1 1 117 117 ILE CD1 C 13 14.870 0.1 . 1 . . . . . . . . 6253 1 1320 . 1 1 117 117 ILE C C 13 178.696 0.1 . 1 . . . . . . . . 6253 1 1321 . 1 1 118 118 MET N N 15 123.592 0.1 . 1 . . . . . . . . 6253 1 1322 . 1 1 118 118 MET H H 1 8.871 0.02 . 1 . . . . . . . . 6253 1 1323 . 1 1 118 118 MET CA C 13 58.373 0.1 . 1 . . . . . . . . 6253 1 1324 . 1 1 118 118 MET HA H 1 4.271 0.02 . 1 . . . . . . . . 6253 1 1325 . 1 1 118 118 MET CB C 13 31.400 0.1 . 1 . . . . . . . . 6253 1 1326 . 1 1 118 118 MET HB2 H 1 2.116 0.02 . 1 . . . . . . . . 6253 1 1327 . 1 1 118 118 MET HB3 H 1 1.922 0.02 . 1 . . . . . . . . 6253 1 1328 . 1 1 118 118 MET CG C 13 32.650 0.1 . 1 . . . . . . . . 6253 1 1329 . 1 1 118 118 MET HG2 H 1 2.669 0.02 . 1 . . . . . . . . 6253 1 1330 . 1 1 118 118 MET HG3 H 1 2.433 0.02 . 1 . . . . . . . . 6253 1 1331 . 1 1 118 118 MET HE1 H 1 1.967 0.02 . 1 . . . . . . . . 6253 1 1332 . 1 1 118 118 MET HE2 H 1 1.967 0.02 . 1 . . . . . . . . 6253 1 1333 . 1 1 118 118 MET HE3 H 1 1.967 0.02 . 1 . . . . . . . . 6253 1 1334 . 1 1 118 118 MET CE C 13 16.780 0.1 . 1 . . . . . . . . 6253 1 1335 . 1 1 118 118 MET C C 13 178.666 0.1 . 1 . . . . . . . . 6253 1 1336 . 1 1 119 119 GLU N N 15 117.625 0.1 . 1 . . . . . . . . 6253 1 1337 . 1 1 119 119 GLU H H 1 7.606 0.02 . 1 . . . . . . . . 6253 1 1338 . 1 1 119 119 GLU CA C 13 58.727 0.1 . 1 . . . . . . . . 6253 1 1339 . 1 1 119 119 GLU HA H 1 3.908 0.02 . 1 . . . . . . . . 6253 1 1340 . 1 1 119 119 GLU CB C 13 29.668 0.1 . 1 . . . . . . . . 6253 1 1341 . 1 1 119 119 GLU HB2 H 1 1.961 0.02 . 1 . . . . . . . . 6253 1 1342 . 1 1 119 119 GLU HB3 H 1 1.860 0.02 . 1 . . . . . . . . 6253 1 1343 . 1 1 119 119 GLU CG C 13 36.328 0.1 . 1 . . . . . . . . 6253 1 1344 . 1 1 119 119 GLU HG2 H 1 2.210 0.02 . 1 . . . . . . . . 6253 1 1345 . 1 1 119 119 GLU CD C 13 183.601 0.1 . 1 . . . . . . . . 6253 1 1346 . 1 1 119 119 GLU C C 13 177.419 0.1 . 1 . . . . . . . . 6253 1 1347 . 1 1 120 120 GLN N N 15 113.937 0.1 . 1 . . . . . . . . 6253 1 1348 . 1 1 120 120 GLN H H 1 7.276 0.02 . 1 . . . . . . . . 6253 1 1349 . 1 1 120 120 GLN CA C 13 57.733 0.1 . 1 . . . . . . . . 6253 1 1350 . 1 1 120 120 GLN HA H 1 3.889 0.02 . 1 . . . . . . . . 6253 1 1351 . 1 1 120 120 GLN CB C 13 29.782 0.1 . 1 . . . . . . . . 6253 1 1352 . 1 1 120 120 GLN HB2 H 1 1.522 0.02 . 1 . . . . . . . . 6253 1 1353 . 1 1 120 120 GLN HB3 H 1 0.926 0.02 . 1 . . . . . . . . 6253 1 1354 . 1 1 120 120 GLN CG C 13 33.046 0.1 . 1 . . . . . . . . 6253 1 1355 . 1 1 120 120 GLN HG2 H 1 1.549 0.02 . 1 . . . . . . . . 6253 1 1356 . 1 1 120 120 GLN HG3 H 1 1.274 0.02 . 1 . . . . . . . . 6253 1 1357 . 1 1 120 120 GLN CD C 13 179.353 0.1 . 1 . . . . . . . . 6253 1 1358 . 1 1 120 120 GLN NE2 N 15 111.005 0.1 . 1 . . . . . . . . 6253 1 1359 . 1 1 120 120 GLN HE21 H 1 6.965 0.02 . 1 . . . . . . . . 6253 1 1360 . 1 1 120 120 GLN HE22 H 1 6.745 0.02 . 1 . . . . . . . . 6253 1 1361 . 1 1 120 120 GLN C C 13 176.435 0.1 . 1 . . . . . . . . 6253 1 1362 . 1 1 121 121 PHE N N 15 113.613 0.1 . 1 . . . . . . . . 6253 1 1363 . 1 1 121 121 PHE H H 1 7.781 0.02 . 1 . . . . . . . . 6253 1 1364 . 1 1 121 121 PHE CA C 13 56.158 0.1 . 1 . . . . . . . . 6253 1 1365 . 1 1 121 121 PHE HA H 1 4.385 0.02 . 1 . . . . . . . . 6253 1 1366 . 1 1 121 121 PHE CB C 13 40.299 0.1 . 1 . . . . . . . . 6253 1 1367 . 1 1 121 121 PHE HB2 H 1 2.822 0.02 . 1 . . . . . . . . 6253 1 1368 . 1 1 121 121 PHE HB3 H 1 2.400 0.02 . 1 . . . . . . . . 6253 1 1369 . 1 1 121 121 PHE C C 13 174.378 0.1 . 1 . . . . . . . . 6253 1 1370 . 1 1 122 122 HIS N N 15 114.473 0.1 . 1 . . . . . . . . 6253 1 1371 . 1 1 122 122 HIS H H 1 7.483 0.02 . 1 . . . . . . . . 6253 1 1372 . 1 1 122 122 HIS CA C 13 56.135 0.1 . 1 . . . . . . . . 6253 1 1373 . 1 1 122 122 HIS HA H 1 4.803 0.02 . 1 . . . . . . . . 6253 1 1374 . 1 1 122 122 HIS CB C 13 26.232 0.1 . 1 . . . . . . . . 6253 1 1375 . 1 1 122 122 HIS HB2 H 1 3.466 0.02 . 1 . . . . . . . . 6253 1 1376 . 1 1 122 122 HIS ND1 N 15 181.983 0.1 . 1 . . . . . . . . 6253 1 1377 . 1 1 122 122 HIS CD2 C 13 119.629 0.1 . 1 . . . . . . . . 6253 1 1378 . 1 1 122 122 HIS CE1 C 13 136.127 0.1 . 1 . . . . . . . . 6253 1 1379 . 1 1 122 122 HIS NE2 N 15 174.488 0.1 . 1 . . . . . . . . 6253 1 1380 . 1 1 122 122 HIS HD2 H 1 7.192 0.02 . 1 . . . . . . . . 6253 1 1381 . 1 1 122 122 HIS HE1 H 1 8.413 0.02 . 1 . . . . . . . . 6253 1 1382 . 1 1 122 122 HIS C C 13 174.137 0.1 . 1 . . . . . . . . 6253 1 1383 . 1 1 123 123 MET N N 15 115.655 0.1 . 1 . . . . . . . . 6253 1 1384 . 1 1 123 123 MET H H 1 6.907 0.02 . 1 . . . . . . . . 6253 1 1385 . 1 1 123 123 MET CA C 13 54.718 0.1 . 1 . . . . . . . . 6253 1 1386 . 1 1 123 123 MET HA H 1 4.803 0.02 . 1 . . . . . . . . 6253 1 1387 . 1 1 123 123 MET CB C 13 37.850 0.1 . 1 . . . . . . . . 6253 1 1388 . 1 1 123 123 MET HB2 H 1 2.207 0.02 . 1 . . . . . . . . 6253 1 1389 . 1 1 123 123 MET HB3 H 1 1.700 0.02 . 1 . . . . . . . . 6253 1 1390 . 1 1 123 123 MET CG C 13 31.679 0.1 . 1 . . . . . . . . 6253 1 1391 . 1 1 123 123 MET HG2 H 1 2.585 0.02 . 1 . . . . . . . . 6253 1 1392 . 1 1 123 123 MET HE1 H 1 2.050 0.02 . 1 . . . . . . . . 6253 1 1393 . 1 1 123 123 MET HE2 H 1 2.050 0.02 . 1 . . . . . . . . 6253 1 1394 . 1 1 123 123 MET HE3 H 1 2.050 0.02 . 1 . . . . . . . . 6253 1 1395 . 1 1 123 123 MET CE C 13 17.000 0.1 . 1 . . . . . . . . 6253 1 1396 . 1 1 123 123 MET C C 13 174.488 0.1 . 1 . . . . . . . . 6253 1 1397 . 1 1 124 124 ARG N N 15 118.490 0.1 . 1 . . . . . . . . 6253 1 1398 . 1 1 124 124 ARG H H 1 8.810 0.02 . 1 . . . . . . . . 6253 1 1399 . 1 1 124 124 ARG CA C 13 56.641 0.1 . 1 . . . . . . . . 6253 1 1400 . 1 1 124 124 ARG HA H 1 4.408 0.02 . 1 . . . . . . . . 6253 1 1401 . 1 1 124 124 ARG CB C 13 31.950 0.1 . 1 . . . . . . . . 6253 1 1402 . 1 1 124 124 ARG HB2 H 1 1.895 0.02 . 1 . . . . . . . . 6253 1 1403 . 1 1 124 124 ARG CG C 13 27.851 0.1 . 1 . . . . . . . . 6253 1 1404 . 1 1 124 124 ARG HG2 H 1 1.723 0.02 . 1 . . . . . . . . 6253 1 1405 . 1 1 124 124 ARG CD C 13 43.160 0.1 . 1 . . . . . . . . 6253 1 1406 . 1 1 124 124 ARG HD2 H 1 3.248 0.02 . 1 . . . . . . . . 6253 1 1407 . 1 1 124 124 ARG C C 13 175.481 0.1 . 1 . . . . . . . . 6253 1 1408 . 1 1 125 125 GLU N N 15 115.363 0.1 . 1 . . . . . . . . 6253 1 1409 . 1 1 125 125 GLU H H 1 7.554 0.02 . 1 . . . . . . . . 6253 1 1410 . 1 1 125 125 GLU CA C 13 54.209 0.1 . 1 . . . . . . . . 6253 1 1411 . 1 1 125 125 GLU HA H 1 4.894 0.02 . 1 . . . . . . . . 6253 1 1412 . 1 1 125 125 GLU CB C 13 34.452 0.1 . 1 . . . . . . . . 6253 1 1413 . 1 1 125 125 GLU HB2 H 1 2.094 0.02 . 1 . . . . . . . . 6253 1 1414 . 1 1 125 125 GLU CG C 13 36.054 0.1 . 1 . . . . . . . . 6253 1 1415 . 1 1 125 125 GLU HG2 H 1 2.203 0.02 . 1 . . . . . . . . 6253 1 1416 . 1 1 125 125 GLU CD C 13 183.602 0.1 . 1 . . . . . . . . 6253 1 1417 . 1 1 125 125 GLU C C 13 174.708 0.1 . 1 . . . . . . . . 6253 1 1418 . 1 1 126 126 ILE N N 15 118.963 0.1 . 1 . . . . . . . . 6253 1 1419 . 1 1 126 126 ILE H H 1 8.090 0.02 . 1 . . . . . . . . 6253 1 1420 . 1 1 126 126 ILE CA C 13 61.210 0.1 . 1 . . . . . . . . 6253 1 1421 . 1 1 126 126 ILE HA H 1 4.442 0.02 . 1 . . . . . . . . 6253 1 1422 . 1 1 126 126 ILE CB C 13 40.430 0.1 . 1 . . . . . . . . 6253 1 1423 . 1 1 126 126 ILE HB H 1 1.526 0.02 . 1 . . . . . . . . 6253 1 1424 . 1 1 126 126 ILE HG21 H 1 1.013 0.02 . 1 . . . . . . . . 6253 1 1425 . 1 1 126 126 ILE HG22 H 1 1.013 0.02 . 1 . . . . . . . . 6253 1 1426 . 1 1 126 126 ILE HG23 H 1 1.013 0.02 . 1 . . . . . . . . 6253 1 1427 . 1 1 126 126 ILE CG2 C 13 18.007 0.1 . 1 . . . . . . . . 6253 1 1428 . 1 1 126 126 ILE CG1 C 13 27.304 0.1 . 1 . . . . . . . . 6253 1 1429 . 1 1 126 126 ILE HG12 H 1 1.296 0.02 . 1 . . . . . . . . 6253 1 1430 . 1 1 126 126 ILE HG13 H 1 0.876 0.02 . 1 . . . . . . . . 6253 1 1431 . 1 1 126 126 ILE HD11 H 1 0.396 0.02 . 1 . . . . . . . . 6253 1 1432 . 1 1 126 126 ILE HD12 H 1 0.396 0.02 . 1 . . . . . . . . 6253 1 1433 . 1 1 126 126 ILE HD13 H 1 0.396 0.02 . 1 . . . . . . . . 6253 1 1434 . 1 1 126 126 ILE CD1 C 13 13.900 0.1 . 1 . . . . . . . . 6253 1 1435 . 1 1 126 126 ILE C C 13 174.113 0.1 . 1 . . . . . . . . 6253 1 1436 . 1 1 127 127 HIS N N 15 120.555 0.1 . 1 . . . . . . . . 6253 1 1437 . 1 1 127 127 HIS H H 1 7.717 0.02 . 1 . . . . . . . . 6253 1 1438 . 1 1 127 127 HIS CA C 13 57.650 0.1 . 1 . . . . . . . . 6253 1 1439 . 1 1 127 127 HIS HA H 1 4.641 0.02 . 1 . . . . . . . . 6253 1 1440 . 1 1 127 127 HIS CB C 13 34.629 0.1 . 1 . . . . . . . . 6253 1 1441 . 1 1 127 127 HIS HB2 H 1 3.009 0.02 . 1 . . . . . . . . 6253 1 1442 . 1 1 127 127 HIS HB3 H 1 2.341 0.02 . 1 . . . . . . . . 6253 1 1443 . 1 1 127 127 HIS ND1 N 15 233.968 0.1 . 1 . . . . . . . . 6253 1 1444 . 1 1 127 127 HIS CD2 C 13 117.876 0.1 . 1 . . . . . . . . 6253 1 1445 . 1 1 127 127 HIS CE1 C 13 137.659 0.1 . 1 . . . . . . . . 6253 1 1446 . 1 1 127 127 HIS NE2 N 15 172.853 0.1 . 1 . . . . . . . . 6253 1 1447 . 1 1 127 127 HIS HD2 H 1 7.006 0.02 . 1 . . . . . . . . 6253 1 1448 . 1 1 127 127 HIS HE1 H 1 7.830 0.02 . 1 . . . . . . . . 6253 1 1449 . 1 1 127 127 HIS C C 13 174.488 0.1 . 1 . . . . . . . . 6253 1 1450 . 1 1 128 128 SER N N 15 105.775 0.1 . 1 . . . . . . . . 6253 1 1451 . 1 1 128 128 SER H H 1 7.934 0.02 . 1 . . . . . . . . 6253 1 1452 . 1 1 128 128 SER CA C 13 59.259 0.1 . 1 . . . . . . . . 6253 1 1453 . 1 1 128 128 SER HA H 1 4.643 0.02 . 1 . . . . . . . . 6253 1 1454 . 1 1 128 128 SER CB C 13 64.752 0.1 . 1 . . . . . . . . 6253 1 1455 . 1 1 128 128 SER HB2 H 1 4.449 0.02 . 1 . . . . . . . . 6253 1 1456 . 1 1 128 128 SER HB3 H 1 4.256 0.02 . 1 . . . . . . . . 6253 1 1457 . 1 1 128 128 SER C C 13 173.619 0.1 . 1 . . . . . . . . 6253 1 1458 . 1 1 129 129 CYS N N 15 115.026 0.1 . 1 . . . . . . . . 6253 1 1459 . 1 1 129 129 CYS H H 1 9.883 0.02 . 1 . . . . . . . . 6253 1 1460 . 1 1 129 129 CYS CA C 13 57.600 0.1 . 1 . . . . . . . . 6253 1 1461 . 1 1 129 129 CYS HA H 1 5.829 0.02 . 1 . . . . . . . . 6253 1 1462 . 1 1 129 129 CYS CB C 13 29.760 0.1 . 1 . . . . . . . . 6253 1 1463 . 1 1 129 129 CYS HB2 H 1 3.045 0.02 . 1 . . . . . . . . 6253 1 1464 . 1 1 129 129 CYS HB3 H 1 2.835 0.02 . 1 . . . . . . . . 6253 1 1465 . 1 1 129 129 CYS C C 13 172.780 0.1 . 1 . . . . . . . . 6253 1 1466 . 1 1 130 130 LYS N N 15 122.989 0.1 . 1 . . . . . . . . 6253 1 1467 . 1 1 130 130 LYS H H 1 9.497 0.02 . 1 . . . . . . . . 6253 1 1468 . 1 1 130 130 LYS CA C 13 55.900 0.1 . 1 . . . . . . . . 6253 1 1469 . 1 1 130 130 LYS HA H 1 5.100 0.02 . 1 . . . . . . . . 6253 1 1470 . 1 1 130 130 LYS CB C 13 32.226 0.1 . 1 . . . . . . . . 6253 1 1471 . 1 1 130 130 LYS HB2 H 1 1.870 0.02 . 1 . . . . . . . . 6253 1 1472 . 1 1 130 130 LYS HB3 H 1 1.673 0.02 . 1 . . . . . . . . 6253 1 1473 . 1 1 130 130 LYS CG C 13 24.570 0.1 . 1 . . . . . . . . 6253 1 1474 . 1 1 130 130 LYS HG2 H 1 1.545 0.02 . 1 . . . . . . . . 6253 1 1475 . 1 1 130 130 LYS HG3 H 1 1.298 0.02 . 1 . . . . . . . . 6253 1 1476 . 1 1 130 130 LYS CD C 13 29.492 0.1 . 1 . . . . . . . . 6253 1 1477 . 1 1 130 130 LYS HD2 H 1 1.699 0.02 . 1 . . . . . . . . 6253 1 1478 . 1 1 130 130 LYS CE C 13 42.000 0.1 . 1 . . . . . . . . 6253 1 1479 . 1 1 130 130 LYS HE2 H 1 3.069 0.02 . 1 . . . . . . . . 6253 1 1480 . 1 1 131 131 VAL CA C 13 62.572 0.1 . 1 . . . . . . . . 6253 1 1481 . 1 1 131 131 VAL HA H 1 3.995 0.02 . 1 . . . . . . . . 6253 1 1482 . 1 1 131 131 VAL CB C 13 30.859 0.1 . 1 . . . . . . . . 6253 1 1483 . 1 1 131 131 VAL HB H 1 2.669 0.02 . 1 . . . . . . . . 6253 1 1484 . 1 1 131 131 VAL HG11 H 1 0.842 0.02 . 1 . . . . . . . . 6253 1 1485 . 1 1 131 131 VAL HG12 H 1 0.842 0.02 . 1 . . . . . . . . 6253 1 1486 . 1 1 131 131 VAL HG13 H 1 0.842 0.02 . 1 . . . . . . . . 6253 1 1487 . 1 1 131 131 VAL HG21 H 1 0.718 0.02 . 1 . . . . . . . . 6253 1 1488 . 1 1 131 131 VAL HG22 H 1 0.718 0.02 . 1 . . . . . . . . 6253 1 1489 . 1 1 131 131 VAL HG23 H 1 0.718 0.02 . 1 . . . . . . . . 6253 1 1490 . 1 1 131 131 VAL CG1 C 13 23.360 0.1 . 1 . . . . . . . . 6253 1 1491 . 1 1 131 131 VAL CG2 C 13 21.562 0.1 . 1 . . . . . . . . 6253 1 1492 . 1 1 132 132 LEU CA C 13 56.836 0.1 . 1 . . . . . . . . 6253 1 1493 . 1 1 132 132 LEU HA H 1 4.168 0.02 . 1 . . . . . . . . 6253 1 1494 . 1 1 132 132 LEU CB C 13 42.070 0.1 . 1 . . . . . . . . 6253 1 1495 . 1 1 132 132 LEU HB2 H 1 1.723 0.02 . 1 . . . . . . . . 6253 1 1496 . 1 1 132 132 LEU HB3 H 1 1.367 0.02 . 1 . . . . . . . . 6253 1 1497 . 1 1 132 132 LEU CG C 13 28.398 0.1 . 1 . . . . . . . . 6253 1 1498 . 1 1 132 132 LEU HG H 1 1.545 0.02 . 1 . . . . . . . . 6253 1 1499 . 1 1 132 132 LEU HD11 H 1 0.768 0.02 . 1 . . . . . . . . 6253 1 1500 . 1 1 132 132 LEU HD12 H 1 0.768 0.02 . 1 . . . . . . . . 6253 1 1501 . 1 1 132 132 LEU HD13 H 1 0.768 0.02 . 1 . . . . . . . . 6253 1 1502 . 1 1 132 132 LEU HD21 H 1 0.748 0.02 . 1 . . . . . . . . 6253 1 1503 . 1 1 132 132 LEU HD22 H 1 0.748 0.02 . 1 . . . . . . . . 6253 1 1504 . 1 1 132 132 LEU HD23 H 1 0.748 0.02 . 1 . . . . . . . . 6253 1 1505 . 1 1 132 132 LEU CD1 C 13 25.240 0.1 . 1 . . . . . . . . 6253 1 1506 . 1 1 132 132 LEU CD2 C 13 23.476 0.1 . 1 . . . . . . . . 6253 1 1507 . 1 1 133 133 GLU CA C 13 55.469 0.1 . 1 . . . . . . . . 6253 1 1508 . 1 1 133 133 GLU HA H 1 4.626 0.02 . 1 . . . . . . . . 6253 1 1509 . 1 1 133 133 GLU CB C 13 33.046 0.1 . 1 . . . . . . . . 6253 1 1510 . 1 1 133 133 GLU HB2 H 1 1.894 0.02 . 1 . . . . . . . . 6253 1 1511 . 1 1 133 133 GLU HB3 H 1 1.627 0.02 . 1 . . . . . . . . 6253 1 1512 . 1 1 133 133 GLU CG C 13 35.234 0.1 . 1 . . . . . . . . 6253 1 1513 . 1 1 133 133 GLU HG2 H 1 2.128 0.02 . 1 . . . . . . . . 6253 1 1514 . 1 1 133 133 GLU C C 13 176.863 0.1 . 1 . . . . . . . . 6253 1 1515 . 1 1 134 134 GLY N N 15 113.092 0.1 . 1 . . . . . . . . 6253 1 1516 . 1 1 134 134 GLY H H 1 8.990 0.02 . 1 . . . . . . . . 6253 1 1517 . 1 1 134 134 GLY CA C 13 44.123 0.1 . 1 . . . . . . . . 6253 1 1518 . 1 1 134 134 GLY HA2 H 1 3.163 0.02 . 1 . . . . . . . . 6253 1 1519 . 1 1 134 134 GLY HA3 H 1 3.820 0.02 . 1 . . . . . . . . 6253 1 1520 . 1 1 134 134 GLY C C 13 170.833 0.1 . 1 . . . . . . . . 6253 1 1521 . 1 1 135 135 VAL N N 15 115.317 0.1 . 1 . . . . . . . . 6253 1 1522 . 1 1 135 135 VAL H H 1 6.319 0.02 . 1 . . . . . . . . 6253 1 1523 . 1 1 135 135 VAL CA C 13 61.740 0.1 . 1 . . . . . . . . 6253 1 1524 . 1 1 135 135 VAL HA H 1 4.797 0.02 . 1 . . . . . . . . 6253 1 1525 . 1 1 135 135 VAL CB C 13 34.687 0.1 . 1 . . . . . . . . 6253 1 1526 . 1 1 135 135 VAL HB H 1 1.830 0.02 . 1 . . . . . . . . 6253 1 1527 . 1 1 135 135 VAL HG11 H 1 0.971 0.02 . 1 . . . . . . . . 6253 1 1528 . 1 1 135 135 VAL HG12 H 1 0.971 0.02 . 1 . . . . . . . . 6253 1 1529 . 1 1 135 135 VAL HG13 H 1 0.971 0.02 . 1 . . . . . . . . 6253 1 1530 . 1 1 135 135 VAL HG21 H 1 0.944 0.02 . 1 . . . . . . . . 6253 1 1531 . 1 1 135 135 VAL HG22 H 1 0.944 0.02 . 1 . . . . . . . . 6253 1 1532 . 1 1 135 135 VAL HG23 H 1 0.944 0.02 . 1 . . . . . . . . 6253 1 1533 . 1 1 135 135 VAL CG1 C 13 21.950 0.1 . 1 . . . . . . . . 6253 1 1534 . 1 1 135 135 VAL CG2 C 13 22.200 0.1 . 1 . . . . . . . . 6253 1 1535 . 1 1 136 136 TRP CA C 13 55.538 0.1 . 1 . . . . . . . . 6253 1 1536 . 1 1 136 136 TRP HA H 1 5.332 0.02 . 1 . . . . . . . . 6253 1 1537 . 1 1 136 136 TRP CB C 13 32.700 0.1 . 1 . . . . . . . . 6253 1 1538 . 1 1 136 136 TRP HB2 H 1 3.081 0.02 . 1 . . . . . . . . 6253 1 1539 . 1 1 136 136 TRP HB3 H 1 2.615 0.02 . 1 . . . . . . . . 6253 1 1540 . 1 1 136 136 TRP CD1 C 13 126.660 0.1 . 1 . . . . . . . . 6253 1 1541 . 1 1 136 136 TRP CE3 C 13 119.832 0.1 . 1 . . . . . . . . 6253 1 1542 . 1 1 136 136 TRP CE2 C 13 137.949 0.1 . 1 . . . . . . . . 6253 1 1543 . 1 1 136 136 TRP NE1 N 15 123.665 0.1 . 1 . . . . . . . . 6253 1 1544 . 1 1 136 136 TRP HD1 H 1 6.885 0.02 . 1 . . . . . . . . 6253 1 1545 . 1 1 136 136 TRP HE3 H 1 7.349 0.02 . 1 . . . . . . . . 6253 1 1546 . 1 1 136 136 TRP CZ3 C 13 124.075 0.1 . 1 . . . . . . . . 6253 1 1547 . 1 1 136 136 TRP CZ2 C 13 113.790 0.1 . 1 . . . . . . . . 6253 1 1548 . 1 1 136 136 TRP HE1 H 1 9.003 0.02 . 1 . . . . . . . . 6253 1 1549 . 1 1 136 136 TRP HZ3 H 1 7.305 0.02 . 1 . . . . . . . . 6253 1 1550 . 1 1 136 136 TRP CH2 C 13 125.255 0.1 . 1 . . . . . . . . 6253 1 1551 . 1 1 136 136 TRP HZ2 H 1 7.076 0.02 . 1 . . . . . . . . 6253 1 1552 . 1 1 136 136 TRP HH2 H 1 6.915 0.02 . 1 . . . . . . . . 6253 1 1553 . 1 1 136 136 TRP C C 13 173.364 0.1 . 1 . . . . . . . . 6253 1 1554 . 1 1 137 137 ILE N N 15 119.369 0.1 . 1 . . . . . . . . 6253 1 1555 . 1 1 137 137 ILE H H 1 9.432 0.02 . 1 . . . . . . . . 6253 1 1556 . 1 1 137 137 ILE CA C 13 59.436 0.1 . 1 . . . . . . . . 6253 1 1557 . 1 1 137 137 ILE HA H 1 4.954 0.02 . 1 . . . . . . . . 6253 1 1558 . 1 1 137 137 ILE CB C 13 41.805 0.1 . 1 . . . . . . . . 6253 1 1559 . 1 1 137 137 ILE HB H 1 1.603 0.02 . 1 . . . . . . . . 6253 1 1560 . 1 1 137 137 ILE HG21 H 1 0.349 0.02 . 1 . . . . . . . . 6253 1 1561 . 1 1 137 137 ILE HG22 H 1 0.349 0.02 . 1 . . . . . . . . 6253 1 1562 . 1 1 137 137 ILE HG23 H 1 0.349 0.02 . 1 . . . . . . . . 6253 1 1563 . 1 1 137 137 ILE CG2 C 13 17.460 0.1 . 1 . . . . . . . . 6253 1 1564 . 1 1 137 137 ILE CG1 C 13 27.578 0.1 . 1 . . . . . . . . 6253 1 1565 . 1 1 137 137 ILE HG12 H 1 1.489 0.02 . 1 . . . . . . . . 6253 1 1566 . 1 1 137 137 ILE HG13 H 1 0.699 0.02 . 1 . . . . . . . . 6253 1 1567 . 1 1 137 137 ILE HD11 H 1 0.783 0.02 . 1 . . . . . . . . 6253 1 1568 . 1 1 137 137 ILE HD12 H 1 0.783 0.02 . 1 . . . . . . . . 6253 1 1569 . 1 1 137 137 ILE HD13 H 1 0.783 0.02 . 1 . . . . . . . . 6253 1 1570 . 1 1 137 137 ILE CD1 C 13 14.500 0.1 . 1 . . . . . . . . 6253 1 1571 . 1 1 137 137 ILE C C 13 176.584 0.1 . 1 . . . . . . . . 6253 1 1572 . 1 1 138 138 PHE N N 15 125.430 0.1 . 1 . . . . . . . . 6253 1 1573 . 1 1 138 138 PHE H H 1 8.925 0.02 . 1 . . . . . . . . 6253 1 1574 . 1 1 138 138 PHE CA C 13 53.074 0.1 . 1 . . . . . . . . 6253 1 1575 . 1 1 138 138 PHE HA H 1 5.491 0.02 . 1 . . . . . . . . 6253 1 1576 . 1 1 138 138 PHE CB C 13 41.036 0.1 . 1 . . . . . . . . 6253 1 1577 . 1 1 138 138 PHE HB2 H 1 3.014 0.02 . 1 . . . . . . . . 6253 1 1578 . 1 1 138 138 PHE CD1 C 13 128.968 0.1 . 1 . . . . . . . . 6253 1 1579 . 1 1 138 138 PHE HD1 H 1 6.192 0.02 . 1 . . . . . . . . 6253 1 1580 . 1 1 138 138 PHE C C 13 174.877 0.1 . 1 . . . . . . . . 6253 1 1581 . 1 1 139 139 TYR N N 15 116.716 0.1 . 1 . . . . . . . . 6253 1 1582 . 1 1 139 139 TYR H H 1 8.938 0.02 . 1 . . . . . . . . 6253 1 1583 . 1 1 139 139 TYR CA C 13 56.560 0.1 . 1 . . . . . . . . 6253 1 1584 . 1 1 139 139 TYR HA H 1 5.774 0.02 . 1 . . . . . . . . 6253 1 1585 . 1 1 139 139 TYR CB C 13 39.812 0.1 . 1 . . . . . . . . 6253 1 1586 . 1 1 139 139 TYR HB2 H 1 3.604 0.02 . 1 . . . . . . . . 6253 1 1587 . 1 1 139 139 TYR HB3 H 1 3.327 0.02 . 1 . . . . . . . . 6253 1 1588 . 1 1 139 139 TYR C C 13 177.348 0.1 . 1 . . . . . . . . 6253 1 1589 . 1 1 140 140 GLU N N 15 122.163 0.1 . 1 . . . . . . . . 6253 1 1590 . 1 1 140 140 GLU H H 1 9.170 0.02 . 1 . . . . . . . . 6253 1 1591 . 1 1 140 140 GLU CA C 13 59.000 0.1 . 1 . . . . . . . . 6253 1 1592 . 1 1 140 140 GLU HA H 1 4.450 0.02 . 1 . . . . . . . . 6253 1 1593 . 1 1 140 140 GLU CB C 13 33.300 0.1 . 1 . . . . . . . . 6253 1 1594 . 1 1 140 140 GLU HB2 H 1 2.494 0.02 . 1 . . . . . . . . 6253 1 1595 . 1 1 140 140 GLU HB3 H 1 2.376 0.02 . 1 . . . . . . . . 6253 1 1596 . 1 1 140 140 GLU CG C 13 36.054 0.1 . 1 . . . . . . . . 6253 1 1597 . 1 1 140 140 GLU HG2 H 1 2.672 0.02 . 1 . . . . . . . . 6253 1 1598 . 1 1 140 140 GLU HG3 H 1 2.375 0.02 . 1 . . . . . . . . 6253 1 1599 . 1 1 140 140 GLU CD C 13 183.549 0.1 . 1 . . . . . . . . 6253 1 1600 . 1 1 140 140 GLU C C 13 175.311 0.1 . 1 . . . . . . . . 6253 1 1601 . 1 1 141 141 LEU N N 15 113.541 0.1 . 1 . . . . . . . . 6253 1 1602 . 1 1 141 141 LEU H H 1 8.039 0.02 . 1 . . . . . . . . 6253 1 1603 . 1 1 141 141 LEU CA C 13 51.994 0.1 . 1 . . . . . . . . 6253 1 1604 . 1 1 141 141 LEU HA H 1 5.005 0.02 . 1 . . . . . . . . 6253 1 1605 . 1 1 141 141 LEU CB C 13 42.093 0.1 . 1 . . . . . . . . 6253 1 1606 . 1 1 141 141 LEU HB2 H 1 1.466 0.02 . 1 . . . . . . . . 6253 1 1607 . 1 1 141 141 LEU CG C 13 27.300 0.1 . 1 . . . . . . . . 6253 1 1608 . 1 1 141 141 LEU HG H 1 1.586 0.02 . 1 . . . . . . . . 6253 1 1609 . 1 1 141 141 LEU HD11 H 1 0.997 0.02 . 1 . . . . . . . . 6253 1 1610 . 1 1 141 141 LEU HD12 H 1 0.997 0.02 . 1 . . . . . . . . 6253 1 1611 . 1 1 141 141 LEU HD13 H 1 0.997 0.02 . 1 . . . . . . . . 6253 1 1612 . 1 1 141 141 LEU HD21 H 1 0.919 0.02 . 1 . . . . . . . . 6253 1 1613 . 1 1 141 141 LEU HD22 H 1 0.919 0.02 . 1 . . . . . . . . 6253 1 1614 . 1 1 141 141 LEU HD23 H 1 0.919 0.02 . 1 . . . . . . . . 6253 1 1615 . 1 1 141 141 LEU CD1 C 13 22.109 0.1 . 1 . . . . . . . . 6253 1 1616 . 1 1 141 141 LEU CD2 C 13 25.000 0.1 . 1 . . . . . . . . 6253 1 1617 . 1 1 141 141 LEU C C 13 174.678 0.1 . 1 . . . . . . . . 6253 1 1618 . 1 1 142 142 PRO CD C 13 50.820 0.1 . 1 . . . . . . . . 6253 1 1619 . 1 1 142 142 PRO CA C 13 62.409 0.1 . 1 . . . . . . . . 6253 1 1620 . 1 1 142 142 PRO HA H 1 4.185 0.02 . 1 . . . . . . . . 6253 1 1621 . 1 1 142 142 PRO CB C 13 32.220 0.1 . 1 . . . . . . . . 6253 1 1622 . 1 1 142 142 PRO HB2 H 1 2.443 0.02 . 1 . . . . . . . . 6253 1 1623 . 1 1 142 142 PRO HB3 H 1 1.852 0.02 . 1 . . . . . . . . 6253 1 1624 . 1 1 142 142 PRO CG C 13 27.851 0.1 . 1 . . . . . . . . 6253 1 1625 . 1 1 142 142 PRO HG2 H 1 2.044 0.02 . 1 . . . . . . . . 6253 1 1626 . 1 1 142 142 PRO HD2 H 1 3.697 0.02 . 1 . . . . . . . . 6253 1 1627 . 1 1 142 142 PRO HD3 H 1 3.623 0.02 . 1 . . . . . . . . 6253 1 1628 . 1 1 142 142 PRO C C 13 175.673 0.1 . 1 . . . . . . . . 6253 1 1629 . 1 1 143 143 ASN N N 15 112.926 0.1 . 1 . . . . . . . . 6253 1 1630 . 1 1 143 143 ASN H H 1 9.632 0.02 . 1 . . . . . . . . 6253 1 1631 . 1 1 143 143 ASN CA C 13 54.120 0.1 . 1 . . . . . . . . 6253 1 1632 . 1 1 143 143 ASN HA H 1 3.176 0.02 . 1 . . . . . . . . 6253 1 1633 . 1 1 143 143 ASN CB C 13 36.819 0.1 . 1 . . . . . . . . 6253 1 1634 . 1 1 143 143 ASN HB2 H 1 2.743 0.02 . 1 . . . . . . . . 6253 1 1635 . 1 1 143 143 ASN HB3 H 1 2.549 0.02 . 1 . . . . . . . . 6253 1 1636 . 1 1 143 143 ASN CG C 13 178.355 0.1 . 1 . . . . . . . . 6253 1 1637 . 1 1 143 143 ASN ND2 N 15 112.040 0.1 . 1 . . . . . . . . 6253 1 1638 . 1 1 143 143 ASN HD21 H 1 7.270 0.02 . 1 . . . . . . . . 6253 1 1639 . 1 1 143 143 ASN HD22 H 1 6.698 0.02 . 1 . . . . . . . . 6253 1 1640 . 1 1 143 143 ASN C C 13 173.335 0.1 . 1 . . . . . . . . 6253 1 1641 . 1 1 144 144 TYR N N 15 112.040 0.1 . 1 . . . . . . . . 6253 1 1642 . 1 1 144 144 TYR H H 1 7.843 0.02 . 1 . . . . . . . . 6253 1 1643 . 1 1 144 144 TYR CA C 13 54.900 0.1 . 1 . . . . . . . . 6253 1 1644 . 1 1 144 144 TYR HA H 1 2.819 0.02 . 1 . . . . . . . . 6253 1 1645 . 1 1 144 144 TYR CB C 13 33.920 0.1 . 1 . . . . . . . . 6253 1 1646 . 1 1 144 144 TYR HB2 H 1 2.985 0.02 . 1 . . . . . . . . 6253 1 1647 . 1 1 144 144 TYR HB3 H 1 1.922 0.02 . 1 . . . . . . . . 6253 1 1648 . 1 1 144 144 TYR CD1 C 13 132.455 0.1 . 1 . . . . . . . . 6253 1 1649 . 1 1 144 144 TYR CE1 C 13 117.961 0.1 . 1 . . . . . . . . 6253 1 1650 . 1 1 144 144 TYR HE1 H 1 6.724 0.02 . 1 . . . . . . . . 6253 1 1651 . 1 1 144 144 TYR HD1 H 1 6.703 0.02 . 1 . . . . . . . . 6253 1 1652 . 1 1 144 144 TYR C C 13 174.897 0.1 . 1 . . . . . . . . 6253 1 1653 . 1 1 145 145 ARG N N 15 116.574 0.1 . 1 . . . . . . . . 6253 1 1654 . 1 1 145 145 ARG H H 1 6.143 0.02 . 1 . . . . . . . . 6253 1 1655 . 1 1 145 145 ARG CA C 13 53.670 0.1 . 1 . . . . . . . . 6253 1 1656 . 1 1 145 145 ARG HA H 1 4.861 0.02 . 1 . . . . . . . . 6253 1 1657 . 1 1 145 145 ARG CB C 13 34.009 0.1 . 1 . . . . . . . . 6253 1 1658 . 1 1 145 145 ARG HB2 H 1 1.911 0.02 . 1 . . . . . . . . 6253 1 1659 . 1 1 145 145 ARG HB3 H 1 1.599 0.02 . 1 . . . . . . . . 6253 1 1660 . 1 1 145 145 ARG CG C 13 27.031 0.1 . 1 . . . . . . . . 6253 1 1661 . 1 1 145 145 ARG HG2 H 1 1.620 0.02 . 1 . . . . . . . . 6253 1 1662 . 1 1 145 145 ARG CD C 13 43.164 0.1 . 1 . . . . . . . . 6253 1 1663 . 1 1 145 145 ARG HD2 H 1 3.244 0.02 . 1 . . . . . . . . 6253 1 1664 . 1 1 145 145 ARG C C 13 174.892 0.1 . 1 . . . . . . . . 6253 1 1665 . 1 1 146 146 GLY N N 15 105.575 0.1 . 1 . . . . . . . . 6253 1 1666 . 1 1 146 146 GLY H H 1 8.278 0.02 . 1 . . . . . . . . 6253 1 1667 . 1 1 146 146 GLY CA C 13 44.197 0.1 . 1 . . . . . . . . 6253 1 1668 . 1 1 146 146 GLY HA2 H 1 4.317 0.02 . 1 . . . . . . . . 6253 1 1669 . 1 1 146 146 GLY HA3 H 1 3.907 0.02 . 1 . . . . . . . . 6253 1 1670 . 1 1 146 146 GLY C C 13 173.949 0.1 . 1 . . . . . . . . 6253 1 1671 . 1 1 147 147 ARG N N 15 120.743 0.1 . 1 . . . . . . . . 6253 1 1672 . 1 1 147 147 ARG H H 1 8.556 0.02 . 1 . . . . . . . . 6253 1 1673 . 1 1 147 147 ARG CA C 13 57.753 0.1 . 1 . . . . . . . . 6253 1 1674 . 1 1 147 147 ARG HA H 1 4.071 0.02 . 1 . . . . . . . . 6253 1 1675 . 1 1 147 147 ARG CB C 13 30.740 0.1 . 1 . . . . . . . . 6253 1 1676 . 1 1 147 147 ARG HB2 H 1 1.813 0.02 . 1 . . . . . . . . 6253 1 1677 . 1 1 147 147 ARG HB3 H 1 1.674 0.02 . 1 . . . . . . . . 6253 1 1678 . 1 1 147 147 ARG CG C 13 27.304 0.1 . 1 . . . . . . . . 6253 1 1679 . 1 1 147 147 ARG HG2 H 1 1.788 0.02 . 1 . . . . . . . . 6253 1 1680 . 1 1 147 147 ARG HG3 H 1 1.488 0.02 . 1 . . . . . . . . 6253 1 1681 . 1 1 147 147 ARG CD C 13 43.437 0.1 . 1 . . . . . . . . 6253 1 1682 . 1 1 147 147 ARG HD2 H 1 3.276 0.02 . 1 . . . . . . . . 6253 1 1683 . 1 1 147 147 ARG HD3 H 1 3.122 0.02 . 1 . . . . . . . . 6253 1 1684 . 1 1 147 147 ARG NE N 15 85.706 0.1 . 1 . . . . . . . . 6253 1 1685 . 1 1 147 147 ARG HE H 1 7.471 0.02 . 1 . . . . . . . . 6253 1 1686 . 1 1 147 147 ARG CZ C 13 159.417 0.1 . 1 . . . . . . . . 6253 1 1687 . 1 1 147 147 ARG C C 13 174.130 0.1 . 1 . . . . . . . . 6253 1 1688 . 1 1 148 148 GLN N N 15 119.155 0.1 . 1 . . . . . . . . 6253 1 1689 . 1 1 148 148 GLN H H 1 7.918 0.02 . 1 . . . . . . . . 6253 1 1690 . 1 1 148 148 GLN CA C 13 53.610 0.1 . 1 . . . . . . . . 6253 1 1691 . 1 1 148 148 GLN HA H 1 4.961 0.02 . 1 . . . . . . . . 6253 1 1692 . 1 1 148 148 GLN CB C 13 32.325 0.1 . 1 . . . . . . . . 6253 1 1693 . 1 1 148 148 GLN HB2 H 1 1.743 0.02 . 1 . . . . . . . . 6253 1 1694 . 1 1 148 148 GLN HB3 H 1 1.570 0.02 . 1 . . . . . . . . 6253 1 1695 . 1 1 148 148 GLN CG C 13 34.414 0.1 . 1 . . . . . . . . 6253 1 1696 . 1 1 148 148 GLN HG2 H 1 2.475 0.02 . 1 . . . . . . . . 6253 1 1697 . 1 1 148 148 GLN HG3 H 1 2.311 0.02 . 1 . . . . . . . . 6253 1 1698 . 1 1 148 148 GLN CD C 13 181.400 0.1 . 1 . . . . . . . . 6253 1 1699 . 1 1 148 148 GLN NE2 N 15 112.718 0.1 . 1 . . . . . . . . 6253 1 1700 . 1 1 148 148 GLN HE21 H 1 8.114 0.02 . 1 . . . . . . . . 6253 1 1701 . 1 1 148 148 GLN HE22 H 1 7.751 0.02 . 1 . . . . . . . . 6253 1 1702 . 1 1 148 148 GLN C C 13 175.222 0.1 . 1 . . . . . . . . 6253 1 1703 . 1 1 149 149 TYR N N 15 116.564 0.1 . 1 . . . . . . . . 6253 1 1704 . 1 1 149 149 TYR H H 1 8.698 0.02 . 1 . . . . . . . . 6253 1 1705 . 1 1 149 149 TYR CA C 13 55.705 0.1 . 1 . . . . . . . . 6253 1 1706 . 1 1 149 149 TYR HA H 1 4.939 0.02 . 1 . . . . . . . . 6253 1 1707 . 1 1 149 149 TYR CB C 13 41.185 0.1 . 1 . . . . . . . . 6253 1 1708 . 1 1 149 149 TYR HB2 H 1 3.545 0.02 . 1 . . . . . . . . 6253 1 1709 . 1 1 149 149 TYR HB3 H 1 2.530 0.02 . 1 . . . . . . . . 6253 1 1710 . 1 1 149 149 TYR CE1 C 13 116.941 0.1 . 1 . . . . . . . . 6253 1 1711 . 1 1 149 149 TYR HE1 H 1 6.717 0.02 . 1 . . . . . . . . 6253 1 1712 . 1 1 149 149 TYR HD1 H 1 7.201 0.02 . 1 . . . . . . . . 6253 1 1713 . 1 1 149 149 TYR C C 13 174.215 0.1 . 1 . . . . . . . . 6253 1 1714 . 1 1 150 150 LEU N N 15 125.591 0.1 . 1 . . . . . . . . 6253 1 1715 . 1 1 150 150 LEU H H 1 8.194 0.02 . 1 . . . . . . . . 6253 1 1716 . 1 1 150 150 LEU CA C 13 54.900 0.1 . 1 . . . . . . . . 6253 1 1717 . 1 1 150 150 LEU HA H 1 4.535 0.02 . 1 . . . . . . . . 6253 1 1718 . 1 1 150 150 LEU CB C 13 44.264 0.1 . 1 . . . . . . . . 6253 1 1719 . 1 1 150 150 LEU HB2 H 1 1.905 0.02 . 1 . . . . . . . . 6253 1 1720 . 1 1 150 150 LEU HB3 H 1 1.196 0.02 . 1 . . . . . . . . 6253 1 1721 . 1 1 150 150 LEU CG C 13 27.304 0.1 . 1 . . . . . . . . 6253 1 1722 . 1 1 150 150 LEU HG H 1 1.376 0.02 . 1 . . . . . . . . 6253 1 1723 . 1 1 150 150 LEU HD11 H 1 0.775 0.02 . 1 . . . . . . . . 6253 1 1724 . 1 1 150 150 LEU HD12 H 1 0.775 0.02 . 1 . . . . . . . . 6253 1 1725 . 1 1 150 150 LEU HD13 H 1 0.775 0.02 . 1 . . . . . . . . 6253 1 1726 . 1 1 150 150 LEU HD21 H 1 0.752 0.02 . 1 . . . . . . . . 6253 1 1727 . 1 1 150 150 LEU HD22 H 1 0.752 0.02 . 1 . . . . . . . . 6253 1 1728 . 1 1 150 150 LEU HD23 H 1 0.752 0.02 . 1 . . . . . . . . 6253 1 1729 . 1 1 150 150 LEU CD1 C 13 26.100 0.1 . 1 . . . . . . . . 6253 1 1730 . 1 1 150 150 LEU CD2 C 13 24.296 0.1 . 1 . . . . . . . . 6253 1 1731 . 1 1 150 150 LEU C C 13 175.465 0.1 . 1 . . . . . . . . 6253 1 1732 . 1 1 151 151 LEU N N 15 131.052 0.1 . 1 . . . . . . . . 6253 1 1733 . 1 1 151 151 LEU H H 1 9.274 0.02 . 1 . . . . . . . . 6253 1 1734 . 1 1 151 151 LEU CA C 13 55.800 0.1 . 1 . . . . . . . . 6253 1 1735 . 1 1 151 151 LEU HA H 1 4.793 0.02 . 1 . . . . . . . . 6253 1 1736 . 1 1 151 151 LEU CG C 13 28.671 0.1 . 1 . . . . . . . . 6253 1 1737 . 1 1 151 151 LEU HG H 1 0.522 0.02 . 1 . . . . . . . . 6253 1 1738 . 1 1 151 151 LEU HD11 H 1 -0.588 0.02 . 1 . . . . . . . . 6253 1 1739 . 1 1 151 151 LEU HD12 H 1 -0.588 0.02 . 1 . . . . . . . . 6253 1 1740 . 1 1 151 151 LEU HD13 H 1 -0.588 0.02 . 1 . . . . . . . . 6253 1 1741 . 1 1 151 151 LEU CD1 C 13 24.296 0.1 . 1 . . . . . . . . 6253 1 1742 . 1 1 152 152 ASP CA C 13 52.187 0.1 . 1 . . . . . . . . 6253 1 1743 . 1 1 152 152 ASP HA H 1 5.031 0.02 . 1 . . . . . . . . 6253 1 1744 . 1 1 152 152 ASP CB C 13 41.250 0.1 . 1 . . . . . . . . 6253 1 1745 . 1 1 152 152 ASP HB2 H 1 3.004 0.02 . 1 . . . . . . . . 6253 1 1746 . 1 1 152 152 ASP HB3 H 1 2.500 0.02 . 1 . . . . . . . . 6253 1 1747 . 1 1 155 155 GLU N N 15 116.151 0.1 . 1 . . . . . . . . 6253 1 1748 . 1 1 155 155 GLU H H 1 7.834 0.02 . 1 . . . . . . . . 6253 1 1749 . 1 1 155 155 GLU CA C 13 56.000 0.1 . 1 . . . . . . . . 6253 1 1750 . 1 1 155 155 GLU HA H 1 4.749 0.02 . 1 . . . . . . . . 6253 1 1751 . 1 1 155 155 GLU CB C 13 32.000 0.1 . 1 . . . . . . . . 6253 1 1752 . 1 1 155 155 GLU HB2 H 1 2.260 0.02 . 1 . . . . . . . . 6253 1 1753 . 1 1 155 155 GLU HB3 H 1 2.100 0.02 . 1 . . . . . . . . 6253 1 1754 . 1 1 156 156 TYR CA C 13 57.200 0.1 . 1 . . . . . . . . 6253 1 1755 . 1 1 156 156 TYR HA H 1 4.844 0.02 . 1 . . . . . . . . 6253 1 1756 . 1 1 156 156 TYR CB C 13 39.993 0.1 . 1 . . . . . . . . 6253 1 1757 . 1 1 156 156 TYR HB2 H 1 3.825 0.02 . 1 . . . . . . . . 6253 1 1758 . 1 1 156 156 TYR HB3 H 1 3.217 0.02 . 1 . . . . . . . . 6253 1 1759 . 1 1 156 156 TYR C C 13 174.877 0.1 . 1 . . . . . . . . 6253 1 1760 . 1 1 157 157 ARG N N 15 124.768 0.1 . 1 . . . . . . . . 6253 1 1761 . 1 1 157 157 ARG H H 1 8.956 0.02 . 1 . . . . . . . . 6253 1 1762 . 1 1 157 157 ARG CA C 13 59.581 0.1 . 1 . . . . . . . . 6253 1 1763 . 1 1 157 157 ARG HA H 1 3.398 0.02 . 1 . . . . . . . . 6253 1 1764 . 1 1 157 157 ARG CB C 13 31.240 0.1 . 1 . . . . . . . . 6253 1 1765 . 1 1 157 157 ARG HB2 H 1 1.711 0.02 . 1 . . . . . . . . 6253 1 1766 . 1 1 157 157 ARG HB3 H 1 1.934 0.02 . 1 . . . . . . . . 6253 1 1767 . 1 1 157 157 ARG HG2 H 1 1.650 0.02 . 1 . . . . . . . . 6253 1 1768 . 1 1 157 157 ARG CD C 13 42.900 0.1 . 1 . . . . . . . . 6253 1 1769 . 1 1 157 157 ARG HD2 H 1 3.159 0.02 . 1 . . . . . . . . 6253 1 1770 . 1 1 157 157 ARG NE N 15 85.934 0.1 . 1 . . . . . . . . 6253 1 1771 . 1 1 157 157 ARG HE H 1 7.540 0.02 . 1 . . . . . . . . 6253 1 1772 . 1 1 157 157 ARG CZ C 13 159.805 0.1 . 1 . . . . . . . . 6253 1 1773 . 1 1 157 157 ARG C C 13 174.551 0.1 . 1 . . . . . . . . 6253 1 1774 . 1 1 158 158 LYS N N 15 115.156 0.1 . 1 . . . . . . . . 6253 1 1775 . 1 1 158 158 LYS H H 1 7.817 0.02 . 1 . . . . . . . . 6253 1 1776 . 1 1 158 158 LYS CA C 13 53.146 0.1 . 1 . . . . . . . . 6253 1 1777 . 1 1 158 158 LYS HA H 1 5.309 0.02 . 1 . . . . . . . . 6253 1 1778 . 1 1 158 158 LYS CB C 13 34.100 0.1 . 1 . . . . . . . . 6253 1 1779 . 1 1 158 158 LYS HB2 H 1 1.936 0.02 . 1 . . . . . . . . 6253 1 1780 . 1 1 158 158 LYS HB3 H 1 1.563 0.02 . 1 . . . . . . . . 6253 1 1781 . 1 1 158 158 LYS CG C 13 24.023 0.1 . 1 . . . . . . . . 6253 1 1782 . 1 1 158 158 LYS HG2 H 1 1.365 0.02 . 1 . . . . . . . . 6253 1 1783 . 1 1 158 158 LYS HG3 H 1 1.233 0.02 . 1 . . . . . . . . 6253 1 1784 . 1 1 158 158 LYS CD C 13 28.945 0.1 . 1 . . . . . . . . 6253 1 1785 . 1 1 158 158 LYS HD2 H 1 1.614 0.02 . 1 . . . . . . . . 6253 1 1786 . 1 1 158 158 LYS CE C 13 41.797 0.1 . 1 . . . . . . . . 6253 1 1787 . 1 1 158 158 LYS HE2 H 1 2.893 0.02 . 1 . . . . . . . . 6253 1 1788 . 1 1 158 158 LYS C C 13 174.666 0.1 . 1 . . . . . . . . 6253 1 1789 . 1 1 159 159 PRO CD C 13 49.700 0.1 . 1 . . . . . . . . 6253 1 1790 . 1 1 159 159 PRO CA C 13 63.650 0.1 . 1 . . . . . . . . 6253 1 1791 . 1 1 159 159 PRO HA H 1 1.086 0.02 . 1 . . . . . . . . 6253 1 1792 . 1 1 159 159 PRO CB C 13 31.132 0.1 . 1 . . . . . . . . 6253 1 1793 . 1 1 159 159 PRO HB2 H 1 1.479 0.02 . 1 . . . . . . . . 6253 1 1794 . 1 1 159 159 PRO HB3 H 1 1.008 0.02 . 1 . . . . . . . . 6253 1 1795 . 1 1 159 159 PRO HD2 H 1 4.075 0.02 . 1 . . . . . . . . 6253 1 1796 . 1 1 159 159 PRO HD3 H 1 3.382 0.02 . 1 . . . . . . . . 6253 1 1797 . 1 1 159 159 PRO C C 13 177.797 0.1 . 1 . . . . . . . . 6253 1 1798 . 1 1 160 160 ILE N N 15 113.786 0.1 . 1 . . . . . . . . 6253 1 1799 . 1 1 160 160 ILE H H 1 7.007 0.02 . 1 . . . . . . . . 6253 1 1800 . 1 1 160 160 ILE CA C 13 60.830 0.1 . 1 . . . . . . . . 6253 1 1801 . 1 1 160 160 ILE HA H 1 4.172 0.02 . 1 . . . . . . . . 6253 1 1802 . 1 1 160 160 ILE CB C 13 37.752 0.1 . 1 . . . . . . . . 6253 1 1803 . 1 1 160 160 ILE HB H 1 1.662 0.02 . 1 . . . . . . . . 6253 1 1804 . 1 1 160 160 ILE HG21 H 1 0.752 0.02 . 1 . . . . . . . . 6253 1 1805 . 1 1 160 160 ILE HG22 H 1 0.752 0.02 . 1 . . . . . . . . 6253 1 1806 . 1 1 160 160 ILE HG23 H 1 0.752 0.02 . 1 . . . . . . . . 6253 1 1807 . 1 1 160 160 ILE CG2 C 13 18.007 0.1 . 1 . . . . . . . . 6253 1 1808 . 1 1 160 160 ILE CG1 C 13 28.970 0.1 . 1 . . . . . . . . 6253 1 1809 . 1 1 160 160 ILE HG12 H 1 1.366 0.02 . 1 . . . . . . . . 6253 1 1810 . 1 1 160 160 ILE HG13 H 1 1.251 0.02 . 1 . . . . . . . . 6253 1 1811 . 1 1 160 160 ILE HD11 H 1 0.759 0.02 . 1 . . . . . . . . 6253 1 1812 . 1 1 160 160 ILE HD12 H 1 0.759 0.02 . 1 . . . . . . . . 6253 1 1813 . 1 1 160 160 ILE HD13 H 1 0.759 0.02 . 1 . . . . . . . . 6253 1 1814 . 1 1 160 160 ILE CD1 C 13 13.632 0.1 . 1 . . . . . . . . 6253 1 1815 . 1 1 160 160 ILE C C 13 178.675 0.1 . 1 . . . . . . . . 6253 1 1816 . 1 1 161 161 ASP N N 15 123.886 0.1 . 1 . . . . . . . . 6253 1 1817 . 1 1 161 161 ASP H H 1 8.134 0.02 . 1 . . . . . . . . 6253 1 1818 . 1 1 161 161 ASP CA C 13 57.132 0.1 . 1 . . . . . . . . 6253 1 1819 . 1 1 161 161 ASP HA H 1 4.606 0.02 . 1 . . . . . . . . 6253 1 1820 . 1 1 161 161 ASP CB C 13 41.370 0.1 . 1 . . . . . . . . 6253 1 1821 . 1 1 161 161 ASP HB2 H 1 3.289 0.02 . 1 . . . . . . . . 6253 1 1822 . 1 1 161 161 ASP HB3 H 1 3.139 0.02 . 1 . . . . . . . . 6253 1 1823 . 1 1 161 161 ASP C C 13 178.681 0.1 . 1 . . . . . . . . 6253 1 1824 . 1 1 162 162 TRP N N 15 116.719 0.1 . 1 . . . . . . . . 6253 1 1825 . 1 1 162 162 TRP H H 1 7.602 0.02 . 1 . . . . . . . . 6253 1 1826 . 1 1 162 162 TRP CA C 13 57.065 0.1 . 1 . . . . . . . . 6253 1 1827 . 1 1 162 162 TRP HA H 1 5.326 0.02 . 1 . . . . . . . . 6253 1 1828 . 1 1 162 162 TRP CB C 13 27.098 0.1 . 1 . . . . . . . . 6253 1 1829 . 1 1 162 162 TRP HB2 H 1 3.296 0.02 . 1 . . . . . . . . 6253 1 1830 . 1 1 162 162 TRP HB3 H 1 2.514 0.02 . 1 . . . . . . . . 6253 1 1831 . 1 1 162 162 TRP CD1 C 13 126.967 0.1 . 1 . . . . . . . . 6253 1 1832 . 1 1 162 162 TRP CE3 C 13 119.805 0.1 . 1 . . . . . . . . 6253 1 1833 . 1 1 162 162 TRP CE2 C 13 139.040 0.1 . 1 . . . . . . . . 6253 1 1834 . 1 1 162 162 TRP NE1 N 15 130.194 0.1 . 1 . . . . . . . . 6253 1 1835 . 1 1 162 162 TRP HD1 H 1 6.204 0.02 . 1 . . . . . . . . 6253 1 1836 . 1 1 162 162 TRP HE3 H 1 7.241 0.02 . 1 . . . . . . . . 6253 1 1837 . 1 1 162 162 TRP CZ2 C 13 114.091 0.1 . 1 . . . . . . . . 6253 1 1838 . 1 1 162 162 TRP HE1 H 1 9.595 0.02 . 1 . . . . . . . . 6253 1 1839 . 1 1 162 162 TRP CH2 C 13 123.587 0.1 . 1 . . . . . . . . 6253 1 1840 . 1 1 162 162 TRP HZ2 H 1 7.293 0.02 . 1 . . . . . . . . 6253 1 1841 . 1 1 162 162 TRP HH2 H 1 6.571 0.02 . 1 . . . . . . . . 6253 1 1842 . 1 1 162 162 TRP C C 13 175.806 0.1 . 1 . . . . . . . . 6253 1 1843 . 1 1 163 163 GLY N N 15 108.020 0.1 . 1 . . . . . . . . 6253 1 1844 . 1 1 163 163 GLY H H 1 7.778 0.02 . 1 . . . . . . . . 6253 1 1845 . 1 1 163 163 GLY CA C 13 44.995 0.1 . 1 . . . . . . . . 6253 1 1846 . 1 1 163 163 GLY HA2 H 1 4.568 0.02 . 1 . . . . . . . . 6253 1 1847 . 1 1 163 163 GLY HA3 H 1 3.754 0.02 . 1 . . . . . . . . 6253 1 1848 . 1 1 163 163 GLY C C 13 174.165 0.1 . 1 . . . . . . . . 6253 1 1849 . 1 1 164 164 ALA N N 15 123.991 0.1 . 1 . . . . . . . . 6253 1 1850 . 1 1 164 164 ALA H H 1 7.074 0.02 . 1 . . . . . . . . 6253 1 1851 . 1 1 164 164 ALA CA C 13 51.197 0.1 . 1 . . . . . . . . 6253 1 1852 . 1 1 164 164 ALA HA H 1 4.508 0.02 . 1 . . . . . . . . 6253 1 1853 . 1 1 164 164 ALA HB1 H 1 0.839 0.02 . 1 . . . . . . . . 6253 1 1854 . 1 1 164 164 ALA HB2 H 1 0.839 0.02 . 1 . . . . . . . . 6253 1 1855 . 1 1 164 164 ALA HB3 H 1 0.839 0.02 . 1 . . . . . . . . 6253 1 1856 . 1 1 164 164 ALA CB C 13 22.850 0.1 . 1 . . . . . . . . 6253 1 1857 . 1 1 164 164 ALA C C 13 176.343 0.1 . 1 . . . . . . . . 6253 1 1858 . 1 1 165 165 ALA N N 15 121.635 0.1 . 1 . . . . . . . . 6253 1 1859 . 1 1 165 165 ALA H H 1 8.520 0.02 . 1 . . . . . . . . 6253 1 1860 . 1 1 165 165 ALA CA C 13 51.549 0.1 . 1 . . . . . . . . 6253 1 1861 . 1 1 165 165 ALA HA H 1 4.228 0.02 . 1 . . . . . . . . 6253 1 1862 . 1 1 165 165 ALA HB1 H 1 1.429 0.02 . 1 . . . . . . . . 6253 1 1863 . 1 1 165 165 ALA HB2 H 1 1.429 0.02 . 1 . . . . . . . . 6253 1 1864 . 1 1 165 165 ALA HB3 H 1 1.429 0.02 . 1 . . . . . . . . 6253 1 1865 . 1 1 165 165 ALA CB C 13 19.260 0.1 . 1 . . . . . . . . 6253 1 1866 . 1 1 165 165 ALA C C 13 176.450 0.1 . 1 . . . . . . . . 6253 1 1867 . 1 1 166 166 SER N N 15 113.949 0.1 . 1 . . . . . . . . 6253 1 1868 . 1 1 166 166 SER H H 1 7.623 0.02 . 1 . . . . . . . . 6253 1 1869 . 1 1 166 166 SER CA C 13 55.173 0.1 . 1 . . . . . . . . 6253 1 1870 . 1 1 166 166 SER HA H 1 4.915 0.02 . 1 . . . . . . . . 6253 1 1871 . 1 1 166 166 SER CB C 13 64.900 0.1 . 1 . . . . . . . . 6253 1 1872 . 1 1 166 166 SER HB2 H 1 4.159 0.02 . 1 . . . . . . . . 6253 1 1873 . 1 1 166 166 SER HB3 H 1 3.786 0.02 . 1 . . . . . . . . 6253 1 1874 . 1 1 166 166 SER C C 13 171.806 0.1 . 1 . . . . . . . . 6253 1 1875 . 1 1 167 167 PRO CD C 13 49.726 0.1 . 1 . . . . . . . . 6253 1 1876 . 1 1 167 167 PRO CA C 13 62.800 0.1 . 1 . . . . . . . . 6253 1 1877 . 1 1 167 167 PRO HA H 1 4.600 0.02 . 1 . . . . . . . . 6253 1 1878 . 1 1 167 167 PRO CB C 13 30.450 0.1 . 1 . . . . . . . . 6253 1 1879 . 1 1 167 167 PRO HB2 H 1 1.656 0.02 . 1 . . . . . . . . 6253 1 1880 . 1 1 167 167 PRO HB3 H 1 1.196 0.02 . 1 . . . . . . . . 6253 1 1881 . 1 1 167 167 PRO CG C 13 26.730 0.1 . 1 . . . . . . . . 6253 1 1882 . 1 1 167 167 PRO HG2 H 1 1.643 0.02 . 1 . . . . . . . . 6253 1 1883 . 1 1 167 167 PRO HD2 H 1 3.663 0.02 . 1 . . . . . . . . 6253 1 1884 . 1 1 167 167 PRO C C 13 174.338 0.1 . 1 . . . . . . . . 6253 1 1885 . 1 1 168 168 ALA N N 15 123.367 0.1 . 1 . . . . . . . . 6253 1 1886 . 1 1 168 168 ALA H H 1 7.417 0.02 . 1 . . . . . . . . 6253 1 1887 . 1 1 168 168 ALA CA C 13 53.504 0.1 . 1 . . . . . . . . 6253 1 1888 . 1 1 168 168 ALA HA H 1 4.510 0.02 . 1 . . . . . . . . 6253 1 1889 . 1 1 168 168 ALA HB1 H 1 1.456 0.02 . 1 . . . . . . . . 6253 1 1890 . 1 1 168 168 ALA HB2 H 1 1.456 0.02 . 1 . . . . . . . . 6253 1 1891 . 1 1 168 168 ALA HB3 H 1 1.456 0.02 . 1 . . . . . . . . 6253 1 1892 . 1 1 168 168 ALA CB C 13 18.105 0.1 . 1 . . . . . . . . 6253 1 1893 . 1 1 168 168 ALA C C 13 176.000 0.1 . 1 . . . . . . . . 6253 1 1894 . 1 1 169 169 VAL N N 15 126.184 0.1 . 1 . . . . . . . . 6253 1 1895 . 1 1 169 169 VAL H H 1 7.304 0.02 . 1 . . . . . . . . 6253 1 1896 . 1 1 169 169 VAL CA C 13 62.130 0.1 . 1 . . . . . . . . 6253 1 1897 . 1 1 169 169 VAL HA H 1 4.464 0.02 . 1 . . . . . . . . 6253 1 1898 . 1 1 169 169 VAL CB C 13 35.507 0.1 . 1 . . . . . . . . 6253 1 1899 . 1 1 169 169 VAL HB H 1 1.634 0.02 . 1 . . . . . . . . 6253 1 1900 . 1 1 169 169 VAL HG11 H 1 0.814 0.02 . 1 . . . . . . . . 6253 1 1901 . 1 1 169 169 VAL HG12 H 1 0.814 0.02 . 1 . . . . . . . . 6253 1 1902 . 1 1 169 169 VAL HG13 H 1 0.814 0.02 . 1 . . . . . . . . 6253 1 1903 . 1 1 169 169 VAL HG21 H 1 0.498 0.02 . 1 . . . . . . . . 6253 1 1904 . 1 1 169 169 VAL HG22 H 1 0.498 0.02 . 1 . . . . . . . . 6253 1 1905 . 1 1 169 169 VAL HG23 H 1 0.498 0.02 . 1 . . . . . . . . 6253 1 1906 . 1 1 169 169 VAL CG1 C 13 21.835 0.1 . 1 . . . . . . . . 6253 1 1907 . 1 1 169 169 VAL CG2 C 13 20.900 0.1 . 1 . . . . . . . . 6253 1 1908 . 1 1 169 169 VAL C C 13 175.551 0.1 . 1 . . . . . . . . 6253 1 1909 . 1 1 170 170 GLN N N 15 118.814 0.1 . 1 . . . . . . . . 6253 1 1910 . 1 1 170 170 GLN H H 1 8.492 0.02 . 1 . . . . . . . . 6253 1 1911 . 1 1 170 170 GLN CA C 13 55.470 0.1 . 1 . . . . . . . . 6253 1 1912 . 1 1 170 170 GLN HA H 1 4.759 0.02 . 1 . . . . . . . . 6253 1 1913 . 1 1 170 170 GLN CB C 13 33.724 0.1 . 1 . . . . . . . . 6253 1 1914 . 1 1 170 170 GLN HB2 H 1 2.349 0.02 . 1 . . . . . . . . 6253 1 1915 . 1 1 170 170 GLN HB3 H 1 1.470 0.02 . 1 . . . . . . . . 6253 1 1916 . 1 1 170 170 GLN CG C 13 36.328 0.1 . 1 . . . . . . . . 6253 1 1917 . 1 1 170 170 GLN HG2 H 1 2.525 0.02 . 1 . . . . . . . . 6253 1 1918 . 1 1 170 170 GLN HG3 H 1 2.342 0.02 . 1 . . . . . . . . 6253 1 1919 . 1 1 170 170 GLN CD C 13 180.520 0.1 . 1 . . . . . . . . 6253 1 1920 . 1 1 170 170 GLN NE2 N 15 114.092 0.1 . 1 . . . . . . . . 6253 1 1921 . 1 1 170 170 GLN HE21 H 1 7.625 0.02 . 1 . . . . . . . . 6253 1 1922 . 1 1 170 170 GLN HE22 H 1 7.011 0.02 . 1 . . . . . . . . 6253 1 1923 . 1 1 170 170 GLN C C 13 175.416 0.1 . 1 . . . . . . . . 6253 1 1924 . 1 1 171 171 SER N N 15 112.048 0.1 . 1 . . . . . . . . 6253 1 1925 . 1 1 171 171 SER H H 1 8.340 0.02 . 1 . . . . . . . . 6253 1 1926 . 1 1 171 171 SER CA C 13 59.000 0.1 . 1 . . . . . . . . 6253 1 1927 . 1 1 171 171 SER HA H 1 4.568 0.02 . 1 . . . . . . . . 6253 1 1928 . 1 1 171 171 SER CB C 13 65.804 0.1 . 1 . . . . . . . . 6253 1 1929 . 1 1 171 171 SER HB2 H 1 4.203 0.02 . 1 . . . . . . . . 6253 1 1930 . 1 1 171 171 SER C C 13 172.780 0.1 . 1 . . . . . . . . 6253 1 1931 . 1 1 172 172 PHE N N 15 111.822 0.1 . 1 . . . . . . . . 6253 1 1932 . 1 1 172 172 PHE H H 1 8.896 0.02 . 1 . . . . . . . . 6253 1 1933 . 1 1 172 172 PHE CA C 13 56.800 0.1 . 1 . . . . . . . . 6253 1 1934 . 1 1 172 172 PHE HA H 1 6.390 0.02 . 1 . . . . . . . . 6253 1 1935 . 1 1 172 172 PHE CB C 13 43.318 0.1 . 1 . . . . . . . . 6253 1 1936 . 1 1 172 172 PHE HB2 H 1 3.719 0.02 . 1 . . . . . . . . 6253 1 1937 . 1 1 172 172 PHE HB3 H 1 3.583 0.02 . 1 . . . . . . . . 6253 1 1938 . 1 1 172 172 PHE CD1 C 13 132.366 0.1 . 1 . . . . . . . . 6253 1 1939 . 1 1 172 172 PHE CE1 C 13 131.117 0.1 . 1 . . . . . . . . 6253 1 1940 . 1 1 172 172 PHE HD1 H 1 6.983 0.02 . 1 . . . . . . . . 6253 1 1941 . 1 1 172 172 PHE HE1 H 1 7.256 0.02 . 1 . . . . . . . . 6253 1 1942 . 1 1 172 172 PHE C C 13 174.174 0.1 . 1 . . . . . . . . 6253 1 1943 . 1 1 173 173 ARG N N 15 116.161 0.1 . 1 . . . . . . . . 6253 1 1944 . 1 1 173 173 ARG H H 1 9.508 0.02 . 1 . . . . . . . . 6253 1 1945 . 1 1 173 173 ARG CA C 13 54.505 0.1 . 1 . . . . . . . . 6253 1 1946 . 1 1 173 173 ARG HA H 1 5.276 0.02 . 1 . . . . . . . . 6253 1 1947 . 1 1 173 173 ARG CB C 13 34.009 0.1 . 1 . . . . . . . . 6253 1 1948 . 1 1 173 173 ARG HB2 H 1 1.732 0.02 . 1 . . . . . . . . 6253 1 1949 . 1 1 173 173 ARG CG C 13 26.030 0.1 . 1 . . . . . . . . 6253 1 1950 . 1 1 173 173 ARG HG2 H 1 1.548 0.02 . 1 . . . . . . . . 6253 1 1951 . 1 1 173 173 ARG HG3 H 1 1.299 0.02 . 1 . . . . . . . . 6253 1 1952 . 1 1 173 173 ARG CD C 13 43.164 0.1 . 1 . . . . . . . . 6253 1 1953 . 1 1 173 173 ARG HD2 H 1 2.415 0.02 . 1 . . . . . . . . 6253 1 1954 . 1 1 173 173 ARG HD3 H 1 2.190 0.02 . 1 . . . . . . . . 6253 1 1955 . 1 1 173 173 ARG NE N 15 84.316 0.1 . 1 . . . . . . . . 6253 1 1956 . 1 1 173 173 ARG HE H 1 6.678 0.02 . 1 . . . . . . . . 6253 1 1957 . 1 1 173 173 ARG CZ C 13 159.400 0.1 . 1 . . . . . . . . 6253 1 1958 . 1 1 173 173 ARG C C 13 173.784 0.1 . 1 . . . . . . . . 6253 1 1959 . 1 1 174 174 ARG N N 15 121.943 0.1 . 1 . . . . . . . . 6253 1 1960 . 1 1 174 174 ARG H H 1 8.482 0.02 . 1 . . . . . . . . 6253 1 1961 . 1 1 174 174 ARG CA C 13 54.728 0.1 . 1 . . . . . . . . 6253 1 1962 . 1 1 174 174 ARG HA H 1 3.599 0.02 . 1 . . . . . . . . 6253 1 1963 . 1 1 174 174 ARG CB C 13 30.030 0.1 . 1 . . . . . . . . 6253 1 1964 . 1 1 174 174 ARG HB2 H 1 0.854 0.02 . 1 . . . . . . . . 6253 1 1965 . 1 1 174 174 ARG HB3 H 1 0.218 0.02 . 1 . . . . . . . . 6253 1 1966 . 1 1 174 174 ARG NE N 15 85.756 0.1 . 1 . . . . . . . . 6253 1 1967 . 1 1 174 174 ARG HE H 1 6.783 0.02 . 1 . . . . . . . . 6253 1 1968 . 1 1 174 174 ARG CZ C 13 159.955 0.1 . 1 . . . . . . . . 6253 1 1969 . 1 1 174 174 ARG C C 13 177.453 0.1 . 1 . . . . . . . . 6253 1 1970 . 1 1 175 175 ILE N N 15 121.412 0.1 . 1 . . . . . . . . 6253 1 1971 . 1 1 175 175 ILE H H 1 7.806 0.02 . 1 . . . . . . . . 6253 1 1972 . 1 1 175 175 ILE CA C 13 62.000 0.1 . 1 . . . . . . . . 6253 1 1973 . 1 1 175 175 ILE HA H 1 4.079 0.02 . 1 . . . . . . . . 6253 1 1974 . 1 1 175 175 ILE CB C 13 36.139 0.1 . 1 . . . . . . . . 6253 1 1975 . 1 1 175 175 ILE HB H 1 1.656 0.02 . 1 . . . . . . . . 6253 1 1976 . 1 1 175 175 ILE HG21 H 1 0.775 0.02 . 1 . . . . . . . . 6253 1 1977 . 1 1 175 175 ILE HG22 H 1 0.775 0.02 . 1 . . . . . . . . 6253 1 1978 . 1 1 175 175 ILE HG23 H 1 0.775 0.02 . 1 . . . . . . . . 6253 1 1979 . 1 1 175 175 ILE CG2 C 13 18.007 0.1 . 1 . . . . . . . . 6253 1 1980 . 1 1 175 175 ILE CG1 C 13 27.000 0.1 . 1 . . . . . . . . 6253 1 1981 . 1 1 175 175 ILE HG12 H 1 1.377 0.02 . 1 . . . . . . . . 6253 1 1982 . 1 1 175 175 ILE HG13 H 1 0.890 0.02 . 1 . . . . . . . . 6253 1 1983 . 1 1 175 175 ILE HD11 H 1 0.674 0.02 . 1 . . . . . . . . 6253 1 1984 . 1 1 175 175 ILE HD12 H 1 0.674 0.02 . 1 . . . . . . . . 6253 1 1985 . 1 1 175 175 ILE HD13 H 1 0.674 0.02 . 1 . . . . . . . . 6253 1 1986 . 1 1 175 175 ILE CD1 C 13 13.800 0.1 . 1 . . . . . . . . 6253 1 1987 . 1 1 175 175 ILE C C 13 174.548 0.1 . 1 . . . . . . . . 6253 1 1988 . 1 1 176 176 VAL N N 15 124.225 0.1 . 1 . . . . . . . . 6253 1 1989 . 1 1 176 176 VAL H H 1 7.947 0.02 . 1 . . . . . . . . 6253 1 1990 . 1 1 176 176 VAL CA C 13 60.499 0.1 . 1 . . . . . . . . 6253 1 1991 . 1 1 176 176 VAL HA H 1 4.241 0.02 . 1 . . . . . . . . 6253 1 1992 . 1 1 176 176 VAL CB C 13 33.745 0.1 . 1 . . . . . . . . 6253 1 1993 . 1 1 176 176 VAL HB H 1 2.008 0.02 . 1 . . . . . . . . 6253 1 1994 . 1 1 176 176 VAL HG11 H 1 0.591 0.02 . 1 . . . . . . . . 6253 1 1995 . 1 1 176 176 VAL HG12 H 1 0.591 0.02 . 1 . . . . . . . . 6253 1 1996 . 1 1 176 176 VAL HG13 H 1 0.591 0.02 . 1 . . . . . . . . 6253 1 1997 . 1 1 176 176 VAL HG21 H 1 0.541 0.02 . 1 . . . . . . . . 6253 1 1998 . 1 1 176 176 VAL HG22 H 1 0.541 0.02 . 1 . . . . . . . . 6253 1 1999 . 1 1 176 176 VAL HG23 H 1 0.541 0.02 . 1 . . . . . . . . 6253 1 2000 . 1 1 176 176 VAL CG1 C 13 19.101 0.1 . 1 . . . . . . . . 6253 1 2001 . 1 1 176 176 VAL CG2 C 13 21.000 0.1 . 1 . . . . . . . . 6253 1 2002 . 1 1 176 176 VAL C C 13 174.652 0.1 . 1 . . . . . . . . 6253 1 2003 . 1 1 177 177 GLU N N 15 127.974 0.1 . 1 . . . . . . . . 6253 1 2004 . 1 1 177 177 GLU H H 1 7.852 0.02 . 1 . . . . . . . . 6253 1 2005 . 1 1 177 177 GLU CA C 13 57.753 0.1 . 1 . . . . . . . . 6253 1 2006 . 1 1 177 177 GLU HA H 1 4.094 0.02 . 1 . . . . . . . . 6253 1 2007 . 1 1 177 177 GLU CB C 13 31.620 0.1 . 1 . . . . . . . . 6253 1 2008 . 1 1 177 177 GLU HB2 H 1 1.964 0.02 . 1 . . . . . . . . 6253 1 2009 . 1 1 177 177 GLU HB3 H 1 1.852 0.02 . 1 . . . . . . . . 6253 1 2010 . 1 1 177 177 GLU CG C 13 36.601 0.1 . 1 . . . . . . . . 6253 1 2011 . 1 1 177 177 GLU HG2 H 1 2.141 0.02 . 1 . . . . . . . . 6253 1 2012 . 1 1 177 177 GLU CD C 13 184.493 0.1 . 1 . . . . . . . . 6253 1 2013 . 1 1 177 177 GLU C C 13 174.660 0.1 . 1 . . . . . . . . 6253 1 stop_ save_