data_5983 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5983 _Entry.Title ; 1H, 13C and 15N resonance assignments of human 5-10-methenyltetrahydrofolate synthetase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-10-24 _Entry.Accession_date 2003-10-27 _Entry.Last_release_date 2004-07-28 _Entry.Original_release_date 2004-07-28 _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 Evelyne Copeland . H. . 5983 2 Irena Ekiel . . . 5983 3 Miroslaw Cygler . . . 5983 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5983 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 739 5983 '15N chemical shifts' 187 5983 '1H chemical shifts' 984 5983 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 . . 2004-07-28 2003-10-24 original author . 5983 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5983 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15243192 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C and 15N resonance assignments of human 5,10-methenyltetrahydrofolate synthetase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 547 _Citation.Page_last 548 _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 Evelyne Copeland . H. . 5983 1 2 Irena Ekiel . . . 5983 1 3 Miroslaw Cygler . . . 5983 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'folic acid' 5983 1 'methenyltetrahydrofolate synthetase' 5983 1 'triple resonance experiments' 5983 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_MTHFS _Assembly.Sf_category assembly _Assembly.Sf_framecode system_MTHFS _Assembly.Entry_ID 5983 _Assembly.ID 1 _Assembly.Name '5,10-methenyltetrahydrofolate synthetase' _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 6.3.3.2 _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 5983 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 'MTHFS monomer' 1 $MTHFS_monomer . . . native . . . . . 5983 1 2 5-formyltetrahydrofolate 2 $FON . . . native . . . . . 5983 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . ExPASy P49914 . . . . . ; The system studied is a 5 residue N-terminal deletion compared to the sequence listed in SWISS-PROT. ; 5983 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID '5,10-methenyltetrahydrofolate synthetase' system 5983 1 MTHFS abbreviation 5983 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID synthetase 5983 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MTHFS_monomer _Entity.Sf_category entity _Entity.Sf_framecode MTHFS_monomer _Entity.Entry_ID 5983 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name '5,10-formyltetrahydrofolate synthetase' _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 ; AAAAVSSAKRSLRGELKQRL RAMSAEERLRQSRVLSQKVI AHSEYQKSKRISIFLSMQDE IETEEIIKDIFQRGKICFIP RYRFQSNHMDMVRIESPEEI SLLPKTSWNIPQPGEGDVRE EALSTGGLDLIFMPGLGFDK HGNRLGRGKGYYDAYLKRCL QHQEVKPYTLALAFKEQICL QVPVNENDMKVDEVLYEDSS TA ; _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 202 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 23124 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 3HXT . "Structure Of Human Mthfs" . . . . . 100.00 203 100.00 100.00 1.45e-146 . . . . 5983 1 2 no PDB 3HY3 . "Structure Of Human Mthfs With 10-Formyltetrahydrofolate" . . . . . 100.00 203 100.00 100.00 1.45e-146 . . . . 5983 1 3 no PDB 3HY4 . "Structure Of Human Mthfs With N5-Iminium Phosphate" . . . . . 100.00 203 100.00 100.00 1.45e-146 . . . . 5983 1 4 no PDB 3HY6 . "Structure Of Human Mthfs With Adp" . . . . . 100.00 203 100.00 100.00 1.45e-146 . . . . 5983 1 5 no DBJ BAI45876 . "5,10-methenyltetrahydrofolate synthetase [synthetic construct]" . . . . . 100.00 203 100.00 100.00 1.45e-146 . . . . 5983 1 6 no GB AAC41945 . "5,10-methenyltetrahydrofolate synthetase [Homo sapiens]" . . . . . 100.00 203 100.00 100.00 1.45e-146 . . . . 5983 1 7 no GB AAH12417 . "MTHFS protein, partial [Homo sapiens]" . . . . . 95.54 193 100.00 100.00 3.28e-140 . . . . 5983 1 8 no GB AAH19921 . "5,10-methenyltetrahydrofolate synthetase (5-formyltetrahydrofolate cyclo-ligase) [Homo sapiens]" . . . . . 100.00 203 100.00 100.00 1.45e-146 . . . . 5983 1 9 no GB AIC55813 . "MTHFS, partial [synthetic construct]" . . . . . 100.00 203 100.00 100.00 1.45e-146 . . . . 5983 1 10 no GB EAW99132 . "5,10-methenyltetrahydrofolate synthetase (5-formyltetrahydrofolate cyclo-ligase) [Homo sapiens]" . . . . . 100.00 203 100.00 100.00 1.45e-146 . . . . 5983 1 11 no REF NP_001186687 . "5-formyltetrahydrofolate cyclo-ligase isoform b [Homo sapiens]" . . . . . 72.28 146 100.00 100.00 3.26e-105 . . . . 5983 1 12 no REF NP_006432 . "5-formyltetrahydrofolate cyclo-ligase isoform a [Homo sapiens]" . . . . . 100.00 203 100.00 100.00 1.45e-146 . . . . 5983 1 13 no REF XP_001154837 . "PREDICTED: 5-formyltetrahydrofolate cyclo-ligase isoform X3 [Pan troglodytes]" . . . . . 81.19 165 98.17 100.00 3.84e-117 . . . . 5983 1 14 no REF XP_001154891 . "PREDICTED: 5-formyltetrahydrofolate cyclo-ligase isoform X2 [Pan troglodytes]" . . . . . 100.00 203 98.51 100.00 1.17e-144 . . . . 5983 1 15 no REF XP_003275449 . "PREDICTED: 5-formyltetrahydrofolate cyclo-ligase isoform 1 [Nomascus leucogenys]" . . . . . 100.00 203 98.02 100.00 8.04e-145 . . . . 5983 1 16 no SP P49914 . "RecName: Full=5-formyltetrahydrofolate cyclo-ligase; AltName: Full=5,10-methenyl-tetrahydrofolate synthetase; Short=MTHFS; Shor" . . . . . 100.00 203 100.00 100.00 1.45e-146 . . . . 5983 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID '5,10-formyltetrahydrofolate synthetase' common 5983 1 MTHFS abbreviation 5983 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 -5 ALA . 5983 1 2 -4 ALA . 5983 1 3 -3 ALA . 5983 1 4 -2 ALA . 5983 1 5 -1 VAL . 5983 1 6 1 SER . 5983 1 7 2 SER . 5983 1 8 3 ALA . 5983 1 9 4 LYS . 5983 1 10 5 ARG . 5983 1 11 6 SER . 5983 1 12 7 LEU . 5983 1 13 8 ARG . 5983 1 14 9 GLY . 5983 1 15 10 GLU . 5983 1 16 11 LEU . 5983 1 17 12 LYS . 5983 1 18 13 GLN . 5983 1 19 14 ARG . 5983 1 20 15 LEU . 5983 1 21 16 ARG . 5983 1 22 17 ALA . 5983 1 23 18 MET . 5983 1 24 19 SER . 5983 1 25 20 ALA . 5983 1 26 21 GLU . 5983 1 27 22 GLU . 5983 1 28 23 ARG . 5983 1 29 24 LEU . 5983 1 30 25 ARG . 5983 1 31 26 GLN . 5983 1 32 27 SER . 5983 1 33 28 ARG . 5983 1 34 29 VAL . 5983 1 35 30 LEU . 5983 1 36 31 SER . 5983 1 37 32 GLN . 5983 1 38 33 LYS . 5983 1 39 34 VAL . 5983 1 40 35 ILE . 5983 1 41 36 ALA . 5983 1 42 37 HIS . 5983 1 43 38 SER . 5983 1 44 39 GLU . 5983 1 45 40 TYR . 5983 1 46 41 GLN . 5983 1 47 42 LYS . 5983 1 48 43 SER . 5983 1 49 44 LYS . 5983 1 50 45 ARG . 5983 1 51 46 ILE . 5983 1 52 47 SER . 5983 1 53 48 ILE . 5983 1 54 49 PHE . 5983 1 55 50 LEU . 5983 1 56 51 SER . 5983 1 57 52 MET . 5983 1 58 53 GLN . 5983 1 59 54 ASP . 5983 1 60 55 GLU . 5983 1 61 56 ILE . 5983 1 62 57 GLU . 5983 1 63 58 THR . 5983 1 64 59 GLU . 5983 1 65 60 GLU . 5983 1 66 61 ILE . 5983 1 67 62 ILE . 5983 1 68 63 LYS . 5983 1 69 64 ASP . 5983 1 70 65 ILE . 5983 1 71 66 PHE . 5983 1 72 67 GLN . 5983 1 73 68 ARG . 5983 1 74 69 GLY . 5983 1 75 70 LYS . 5983 1 76 71 ILE . 5983 1 77 72 CYS . 5983 1 78 73 PHE . 5983 1 79 74 ILE . 5983 1 80 75 PRO . 5983 1 81 76 ARG . 5983 1 82 77 TYR . 5983 1 83 78 ARG . 5983 1 84 79 PHE . 5983 1 85 80 GLN . 5983 1 86 81 SER . 5983 1 87 82 ASN . 5983 1 88 83 HIS . 5983 1 89 84 MET . 5983 1 90 85 ASP . 5983 1 91 86 MET . 5983 1 92 87 VAL . 5983 1 93 88 ARG . 5983 1 94 89 ILE . 5983 1 95 90 GLU . 5983 1 96 91 SER . 5983 1 97 92 PRO . 5983 1 98 93 GLU . 5983 1 99 94 GLU . 5983 1 100 95 ILE . 5983 1 101 96 SER . 5983 1 102 97 LEU . 5983 1 103 98 LEU . 5983 1 104 99 PRO . 5983 1 105 100 LYS . 5983 1 106 101 THR . 5983 1 107 102 SER . 5983 1 108 103 TRP . 5983 1 109 104 ASN . 5983 1 110 105 ILE . 5983 1 111 106 PRO . 5983 1 112 107 GLN . 5983 1 113 108 PRO . 5983 1 114 109 GLY . 5983 1 115 110 GLU . 5983 1 116 111 GLY . 5983 1 117 112 ASP . 5983 1 118 113 VAL . 5983 1 119 114 ARG . 5983 1 120 115 GLU . 5983 1 121 116 GLU . 5983 1 122 117 ALA . 5983 1 123 118 LEU . 5983 1 124 119 SER . 5983 1 125 120 THR . 5983 1 126 121 GLY . 5983 1 127 122 GLY . 5983 1 128 123 LEU . 5983 1 129 124 ASP . 5983 1 130 125 LEU . 5983 1 131 126 ILE . 5983 1 132 127 PHE . 5983 1 133 128 MET . 5983 1 134 129 PRO . 5983 1 135 130 GLY . 5983 1 136 131 LEU . 5983 1 137 132 GLY . 5983 1 138 133 PHE . 5983 1 139 134 ASP . 5983 1 140 135 LYS . 5983 1 141 136 HIS . 5983 1 142 137 GLY . 5983 1 143 138 ASN . 5983 1 144 139 ARG . 5983 1 145 140 LEU . 5983 1 146 141 GLY . 5983 1 147 142 ARG . 5983 1 148 143 GLY . 5983 1 149 144 LYS . 5983 1 150 145 GLY . 5983 1 151 146 TYR . 5983 1 152 147 TYR . 5983 1 153 148 ASP . 5983 1 154 149 ALA . 5983 1 155 150 TYR . 5983 1 156 151 LEU . 5983 1 157 152 LYS . 5983 1 158 153 ARG . 5983 1 159 154 CYS . 5983 1 160 155 LEU . 5983 1 161 156 GLN . 5983 1 162 157 HIS . 5983 1 163 158 GLN . 5983 1 164 159 GLU . 5983 1 165 160 VAL . 5983 1 166 161 LYS . 5983 1 167 162 PRO . 5983 1 168 163 TYR . 5983 1 169 164 THR . 5983 1 170 165 LEU . 5983 1 171 166 ALA . 5983 1 172 167 LEU . 5983 1 173 168 ALA . 5983 1 174 169 PHE . 5983 1 175 170 LYS . 5983 1 176 171 GLU . 5983 1 177 172 GLN . 5983 1 178 173 ILE . 5983 1 179 174 CYS . 5983 1 180 175 LEU . 5983 1 181 176 GLN . 5983 1 182 177 VAL . 5983 1 183 178 PRO . 5983 1 184 179 VAL . 5983 1 185 180 ASN . 5983 1 186 181 GLU . 5983 1 187 182 ASN . 5983 1 188 183 ASP . 5983 1 189 184 MET . 5983 1 190 185 LYS . 5983 1 191 186 VAL . 5983 1 192 187 ASP . 5983 1 193 188 GLU . 5983 1 194 189 VAL . 5983 1 195 190 LEU . 5983 1 196 191 TYR . 5983 1 197 192 GLU . 5983 1 198 193 ASP . 5983 1 199 194 SER . 5983 1 200 195 SER . 5983 1 201 196 THR . 5983 1 202 197 ALA . 5983 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 . ALA 1 1 5983 1 . ALA 2 2 5983 1 . ALA 3 3 5983 1 . ALA 4 4 5983 1 . VAL 5 5 5983 1 . SER 6 6 5983 1 . SER 7 7 5983 1 . ALA 8 8 5983 1 . LYS 9 9 5983 1 . ARG 10 10 5983 1 . SER 11 11 5983 1 . LEU 12 12 5983 1 . ARG 13 13 5983 1 . GLY 14 14 5983 1 . GLU 15 15 5983 1 . LEU 16 16 5983 1 . LYS 17 17 5983 1 . GLN 18 18 5983 1 . ARG 19 19 5983 1 . LEU 20 20 5983 1 . ARG 21 21 5983 1 . ALA 22 22 5983 1 . MET 23 23 5983 1 . SER 24 24 5983 1 . ALA 25 25 5983 1 . GLU 26 26 5983 1 . GLU 27 27 5983 1 . ARG 28 28 5983 1 . LEU 29 29 5983 1 . ARG 30 30 5983 1 . GLN 31 31 5983 1 . SER 32 32 5983 1 . ARG 33 33 5983 1 . VAL 34 34 5983 1 . LEU 35 35 5983 1 . SER 36 36 5983 1 . GLN 37 37 5983 1 . LYS 38 38 5983 1 . VAL 39 39 5983 1 . ILE 40 40 5983 1 . ALA 41 41 5983 1 . HIS 42 42 5983 1 . SER 43 43 5983 1 . GLU 44 44 5983 1 . TYR 45 45 5983 1 . GLN 46 46 5983 1 . LYS 47 47 5983 1 . SER 48 48 5983 1 . LYS 49 49 5983 1 . ARG 50 50 5983 1 . ILE 51 51 5983 1 . SER 52 52 5983 1 . ILE 53 53 5983 1 . PHE 54 54 5983 1 . LEU 55 55 5983 1 . SER 56 56 5983 1 . MET 57 57 5983 1 . GLN 58 58 5983 1 . ASP 59 59 5983 1 . GLU 60 60 5983 1 . ILE 61 61 5983 1 . GLU 62 62 5983 1 . THR 63 63 5983 1 . GLU 64 64 5983 1 . GLU 65 65 5983 1 . ILE 66 66 5983 1 . ILE 67 67 5983 1 . LYS 68 68 5983 1 . ASP 69 69 5983 1 . ILE 70 70 5983 1 . PHE 71 71 5983 1 . GLN 72 72 5983 1 . ARG 73 73 5983 1 . GLY 74 74 5983 1 . LYS 75 75 5983 1 . ILE 76 76 5983 1 . CYS 77 77 5983 1 . PHE 78 78 5983 1 . ILE 79 79 5983 1 . PRO 80 80 5983 1 . ARG 81 81 5983 1 . TYR 82 82 5983 1 . ARG 83 83 5983 1 . PHE 84 84 5983 1 . GLN 85 85 5983 1 . SER 86 86 5983 1 . ASN 87 87 5983 1 . HIS 88 88 5983 1 . MET 89 89 5983 1 . ASP 90 90 5983 1 . MET 91 91 5983 1 . VAL 92 92 5983 1 . ARG 93 93 5983 1 . ILE 94 94 5983 1 . GLU 95 95 5983 1 . SER 96 96 5983 1 . PRO 97 97 5983 1 . GLU 98 98 5983 1 . GLU 99 99 5983 1 . ILE 100 100 5983 1 . SER 101 101 5983 1 . LEU 102 102 5983 1 . LEU 103 103 5983 1 . PRO 104 104 5983 1 . LYS 105 105 5983 1 . THR 106 106 5983 1 . SER 107 107 5983 1 . TRP 108 108 5983 1 . ASN 109 109 5983 1 . ILE 110 110 5983 1 . PRO 111 111 5983 1 . GLN 112 112 5983 1 . PRO 113 113 5983 1 . GLY 114 114 5983 1 . GLU 115 115 5983 1 . GLY 116 116 5983 1 . ASP 117 117 5983 1 . VAL 118 118 5983 1 . ARG 119 119 5983 1 . GLU 120 120 5983 1 . GLU 121 121 5983 1 . ALA 122 122 5983 1 . LEU 123 123 5983 1 . SER 124 124 5983 1 . THR 125 125 5983 1 . GLY 126 126 5983 1 . GLY 127 127 5983 1 . LEU 128 128 5983 1 . ASP 129 129 5983 1 . LEU 130 130 5983 1 . ILE 131 131 5983 1 . PHE 132 132 5983 1 . MET 133 133 5983 1 . PRO 134 134 5983 1 . GLY 135 135 5983 1 . LEU 136 136 5983 1 . GLY 137 137 5983 1 . PHE 138 138 5983 1 . ASP 139 139 5983 1 . LYS 140 140 5983 1 . HIS 141 141 5983 1 . GLY 142 142 5983 1 . ASN 143 143 5983 1 . ARG 144 144 5983 1 . LEU 145 145 5983 1 . GLY 146 146 5983 1 . ARG 147 147 5983 1 . GLY 148 148 5983 1 . LYS 149 149 5983 1 . GLY 150 150 5983 1 . TYR 151 151 5983 1 . TYR 152 152 5983 1 . ASP 153 153 5983 1 . ALA 154 154 5983 1 . TYR 155 155 5983 1 . LEU 156 156 5983 1 . LYS 157 157 5983 1 . ARG 158 158 5983 1 . CYS 159 159 5983 1 . LEU 160 160 5983 1 . GLN 161 161 5983 1 . HIS 162 162 5983 1 . GLN 163 163 5983 1 . GLU 164 164 5983 1 . VAL 165 165 5983 1 . LYS 166 166 5983 1 . PRO 167 167 5983 1 . TYR 168 168 5983 1 . THR 169 169 5983 1 . LEU 170 170 5983 1 . ALA 171 171 5983 1 . LEU 172 172 5983 1 . ALA 173 173 5983 1 . PHE 174 174 5983 1 . LYS 175 175 5983 1 . GLU 176 176 5983 1 . GLN 177 177 5983 1 . ILE 178 178 5983 1 . CYS 179 179 5983 1 . LEU 180 180 5983 1 . GLN 181 181 5983 1 . VAL 182 182 5983 1 . PRO 183 183 5983 1 . VAL 184 184 5983 1 . ASN 185 185 5983 1 . GLU 186 186 5983 1 . ASN 187 187 5983 1 . ASP 188 188 5983 1 . MET 189 189 5983 1 . LYS 190 190 5983 1 . VAL 191 191 5983 1 . ASP 192 192 5983 1 . GLU 193 193 5983 1 . VAL 194 194 5983 1 . LEU 195 195 5983 1 . TYR 196 196 5983 1 . GLU 197 197 5983 1 . ASP 198 198 5983 1 . SER 199 199 5983 1 . SER 200 200 5983 1 . THR 201 201 5983 1 . ALA 202 202 5983 1 stop_ save_ save_FON _Entity.Sf_category entity _Entity.Sf_framecode FON _Entity.Entry_ID 5983 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name FON _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID FON _Entity.Nonpolymer_comp_label $chem_comp_FON _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . FON . 5983 2 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 5983 _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 $MTHFS_monomer . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . MTHFS . . . . 5983 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 5983 _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 $MTHFS_monomer . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) BL21(DE3)pLysS . . . . . . . . . . . plasmid . . 'pET 11c' . . . . . . 5983 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_FON _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_FON _Chem_comp.Entry_ID 5983 _Chem_comp.ID FON _Chem_comp.Provenance . _Chem_comp.Name 'FOLINIC ACID' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code FON _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-09 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code FON _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms 5-FORMYL-5,6,7,8-TETRAHYDROFOLATE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C20 H23 N7 O7' _Chem_comp.Formula_weight 473.439 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1QD1 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 10:26:20 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2C=O)C(=O)N=C(N3)N SMILES 'OpenEye OEToolkits' 1.5.0 5983 FON c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5983 FON InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12-,13+/m1/s1 InChI InChI 1.03 5983 FON NC1=NC(=O)C2=C(NC[C@@H](CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2C=O)N1 SMILES_CANONICAL CACTVS 3.341 5983 FON NC1=NC(=O)C2=C(NC[CH](CNc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)N2C=O)N1 SMILES CACTVS 3.341 5983 FON O=C(O)C(NC(=O)c1ccc(cc1)NCC3N(C2=C(NC(=NC2=O)N)NC3)C=O)CCC(=O)O SMILES ACDLabs 10.04 5983 FON VVIAGPKUTFNRDU-OLZOCXBDSA-N InChIKey InChI 1.03 5983 FON stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-2-[[4-[[(6R)-2-amino-5-methanoyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5983 FON 'N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 5983 FON stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N1 . N1 . . N . . N 0 . . . . yes no . . . . 20.760 . 53.377 . 46.407 . 1.132 2.271 5.420 1 . 5983 FON C2 . C2 . . C . . N 0 . . . . yes no . . . . 20.082 . 54.199 . 45.588 . 2.232 1.596 5.853 2 . 5983 FON NA2 . NA2 . . N . . N 0 . . . . no no . . . . 19.706 . 53.617 . 44.295 . 3.341 2.301 6.243 3 . 5983 FON N3 . N3 . . N . . N 0 . . . . yes no . . . . 19.692 . 55.354 . 45.661 . 2.251 0.282 5.911 4 . 5983 FON C4 . C4 . . C . . N 0 . . . . yes no . . . . 20.057 . 56.028 . 46.829 . 1.184 -0.443 5.539 5 . 5983 FON O4 . O4 . . O . . N 0 . . . . no no . . . . 19.830 . 57.377 . 47.045 . 1.216 -1.664 5.598 6 . 5983 FON C4A . C4A . . C . . N 0 . . . . yes no . . . . 20.701 . 55.288 . 47.844 . 0.025 0.216 5.081 7 . 5983 FON N5 . N5 . . N . . N 0 . . . . no no . . . . 20.966 . 55.720 . 49.121 . -1.113 -0.517 4.691 8 . 5983 FON C6 . C6 . . C . . R 0 . . . . no no . . . . 22.325 . 55.327 . 49.709 . -2.151 0.162 3.901 9 . 5983 FON C7 . C7 . . C . . N 0 . . . . no no . . . . 22.482 . 53.821 . 49.621 . -2.387 1.547 4.523 10 . 5983 FON N8 . N8 . . N . . N 0 . . . . no no . . . . 22.030 . 53.409 . 48.404 . -1.099 2.253 4.573 11 . 5983 FON C8A . C8A . . C . . N 0 . . . . yes no . . . . 21.018 . 53.920 . 47.624 . 0.017 1.581 5.022 12 . 5983 FON C9 . C9 . . C . . N 0 . . . . no no . . . . 23.476 . 56.107 . 49.086 . -1.682 0.318 2.453 13 . 5983 FON N10 . N10 . . N . . N 0 . . . . no no . . . . 24.634 . 56.018 . 50.006 . -1.459 -1.005 1.866 14 . 5983 FON C11 . C11 . . C . . N 0 . . . . yes no . . . . 24.784 . 57.441 . 54.033 . -0.164 -1.344 -2.073 15 . 5983 FON C12 . C12 . . C . . N 0 . . . . yes no . . . . 25.818 . 56.589 . 53.473 . -0.387 -2.492 -1.308 16 . 5983 FON C13 . C13 . . C . . N 0 . . . . yes no . . . . 25.867 . 56.260 . 52.089 . -0.815 -2.377 -0.005 17 . 5983 FON C14 . C14 . . C . . N 0 . . . . yes no . . . . 24.713 . 56.594 . 51.337 . -1.026 -1.118 0.550 18 . 5983 FON C15 . C15 . . C . . N 0 . . . . yes no . . . . 23.713 . 57.495 . 51.837 . -0.811 0.027 -0.211 19 . 5983 FON C16 . C16 . . C . . N 0 . . . . yes no . . . . 23.787 . 57.973 . 53.162 . -0.377 -0.081 -1.512 20 . 5983 FON C . C . . C . . N 0 . . . . no no . . . . 24.837 . 57.737 . 55.457 . 0.295 -1.464 -3.470 21 . 5983 FON O . O . . O . . N 0 . . . . no no . . . . 23.774 . 57.972 . 56.043 . 0.480 -2.563 -3.956 22 . 5983 FON N . N . . N . . N 0 . . . . no no . . . . 26.006 . 57.783 . 56.147 . 0.509 -0.356 -4.206 23 . 5983 FON CA . CA . . C . . S 0 . . . . no no . . . . 26.130 . 58.416 . 57.463 . 0.966 -0.475 -5.593 24 . 5983 FON CB . CB . . C . . N 0 . . . . no no . . . . 27.193 . 57.686 . 58.169 . 0.444 0.711 -6.406 25 . 5983 FON CG . CG . . C . . N 0 . . . . no no . . . . 27.389 . 58.145 . 59.617 . -1.085 0.719 -6.371 26 . 5983 FON CD . CD . . C . . N 0 . . . . no no . . . . 28.567 . 57.498 . 60.394 . -1.599 1.888 -7.172 27 . 5983 FON OE1 . OE1 . . O . . N 0 . . . . no no . . . . 28.846 . 57.929 . 61.535 . -0.821 2.637 -7.714 28 . 5983 FON OE2 . OE2 . . O . . N 0 . . . . no no . . . . 29.209 . 56.561 . 59.875 . -2.920 2.097 -7.282 29 . 5983 FON CT . CT . . C . . N 0 . . . . no no . . . . 26.412 . 59.967 . 57.442 . 2.472 -0.484 -5.627 30 . 5983 FON O1 . O1 . . O . . N 0 . . . . no no . . . . 25.693 . 60.712 . 58.138 . 3.053 -1.085 -6.499 31 . 5983 FON O2 . O2 . . O . . N 0 . . . . no no . . . . 27.338 . 60.425 . 56.746 . 3.168 0.176 -4.689 32 . 5983 FON CP1 . CP1 . . C . . N 0 . . . . no no . . . . 20.008 . 56.537 . 49.953 . -1.248 -1.813 5.035 33 . 5983 FON O3 . O3 . . O . . N 0 . . . . no no . . . . 20.490 . 57.208 . 51.129 . -2.180 -2.461 4.606 34 . 5983 FON HN1 . HN1 . . H . . N 0 . . . . no no . . . . 21.621 . 53.055 . 45.964 . 1.141 3.240 5.386 35 . 5983 FON HN21 . HN21 . . H . . N 0 . . . . no no . . . . 19.191 . 54.240 . 43.673 . 4.129 1.830 6.557 36 . 5983 FON HN22 . HN22 . . H . . N 0 . . . . no no . . . . 19.183 . 52.752 . 44.437 . 3.340 3.270 6.200 37 . 5983 FON H61 . H61 . . H . . N 0 . . . . no no . . . . 22.360 . 55.611 . 50.786 . -3.075 -0.416 3.929 38 . 5983 FON H7 . H7 . . H . . N 0 . . . . no no . . . . 23.526 . 53.487 . 49.824 . -2.785 1.434 5.531 39 . 5983 FON HC72 . HC72 . . H . . N 0 . . . . no no . . . . 21.983 . 53.289 . 50.464 . -3.092 2.110 3.910 40 . 5983 FON HN8 . HN8 . . H . . N 0 . . . . no no . . . . 21.802 . 52.421 . 48.523 . -1.035 3.180 4.294 41 . 5983 FON H91 . H91 . . H . . N 0 . . . . no no . . . . 23.718 . 55.768 . 48.051 . -2.444 0.846 1.879 42 . 5983 FON H92 . H92 . . H . . N 0 . . . . no no . . . . 23.201 . 57.158 . 48.836 . -0.752 0.887 2.432 43 . 5983 FON HN0 . HN0 . . H . . N 0 . . . . no no . . . . 25.439 . 56.373 . 49.490 . -1.613 -1.802 2.397 44 . 5983 FON H12 . H12 . . H . . N 0 . . . . no no . . . . 26.601 . 56.173 . 54.128 . -0.222 -3.469 -1.738 45 . 5983 FON H13 . H13 . . H . . N 0 . . . . no no . . . . 26.744 . 55.776 . 51.628 . -0.987 -3.264 0.586 46 . 5983 FON H15 . H15 . . H . . N 0 . . . . no no . . . . 22.878 . 57.823 . 51.195 . -0.976 1.002 0.222 47 . 5983 FON H16 . H16 . . H . . N 0 . . . . no no . . . . 23.080 . 58.745 . 53.509 . -0.206 0.807 -2.101 48 . 5983 FON HN . HN . . H . . N 0 . . . . no no . . . . 26.794 . 57.340 . 55.674 . 0.361 0.520 -3.818 49 . 5983 FON HA . HA . . H . . N 0 . . . . no no . . . . 25.145 . 58.349 . 57.982 . 0.587 -1.403 -6.022 50 . 5983 FON HB1 . HB1 . . H . . N 0 . . . . no no . . . . 27.014 . 56.586 . 58.123 . 0.822 1.639 -5.977 51 . 5983 FON HB2 . HB2 . . H . . N 0 . . . . no no . . . . 28.152 . 57.740 . 57.603 . 0.783 0.622 -7.438 52 . 5983 FON HG1 . HG1 . . H . . N 0 . . . . no no . . . . 27.482 . 59.255 . 59.649 . -1.463 -0.208 -6.800 53 . 5983 FON HG2 . HG2 . . H . . N 0 . . . . no no . . . . 26.441 . 58.004 . 60.187 . -1.425 0.808 -5.339 54 . 5983 FON HOE2 . HOE2 . . H . . N 0 . . . . no no . . . . 29.929 . 56.165 . 60.350 . -3.250 2.847 -7.795 55 . 5983 FON HO2 . HO2 . . H . . N 0 . . . . no no . . . . 27.507 . 61.359 . 56.733 . 4.135 0.170 -4.711 56 . 5983 FON HCP1 . HCP1 . . H . . N 0 . . . . no no . . . . 18.940 . 56.645 . 49.698 . -0.526 -2.275 5.692 57 . 5983 FON stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N1 C2 yes N 1 . 5983 FON 2 . SING N1 C8A yes N 2 . 5983 FON 3 . SING N1 HN1 no N 3 . 5983 FON 4 . SING C2 NA2 no N 4 . 5983 FON 5 . DOUB C2 N3 yes N 5 . 5983 FON 6 . SING NA2 HN21 no N 6 . 5983 FON 7 . SING NA2 HN22 no N 7 . 5983 FON 8 . SING N3 C4 yes N 8 . 5983 FON 9 . DOUB C4 O4 no N 9 . 5983 FON 10 . SING C4 C4A yes N 10 . 5983 FON 11 . SING C4A N5 no N 11 . 5983 FON 12 . DOUB C4A C8A yes N 12 . 5983 FON 13 . SING N5 C6 no N 13 . 5983 FON 14 . SING N5 CP1 no N 14 . 5983 FON 15 . SING C6 C7 no N 15 . 5983 FON 16 . SING C6 C9 no N 16 . 5983 FON 17 . SING C6 H61 no N 17 . 5983 FON 18 . SING C7 N8 no N 18 . 5983 FON 19 . SING C7 H7 no N 19 . 5983 FON 20 . SING C7 HC72 no N 20 . 5983 FON 21 . SING N8 C8A no N 21 . 5983 FON 22 . SING N8 HN8 no N 22 . 5983 FON 23 . SING C9 N10 no N 23 . 5983 FON 24 . SING C9 H91 no N 24 . 5983 FON 25 . SING C9 H92 no N 25 . 5983 FON 26 . SING N10 C14 no N 26 . 5983 FON 27 . SING N10 HN0 no N 27 . 5983 FON 28 . DOUB C11 C12 yes N 28 . 5983 FON 29 . SING C11 C16 yes N 29 . 5983 FON 30 . SING C11 C no N 30 . 5983 FON 31 . SING C12 C13 yes N 31 . 5983 FON 32 . SING C12 H12 no N 32 . 5983 FON 33 . DOUB C13 C14 yes N 33 . 5983 FON 34 . SING C13 H13 no N 34 . 5983 FON 35 . SING C14 C15 yes N 35 . 5983 FON 36 . DOUB C15 C16 yes N 36 . 5983 FON 37 . SING C15 H15 no N 37 . 5983 FON 38 . SING C16 H16 no N 38 . 5983 FON 39 . DOUB C O no N 39 . 5983 FON 40 . SING C N no N 40 . 5983 FON 41 . SING N CA no N 41 . 5983 FON 42 . SING N HN no N 42 . 5983 FON 43 . SING CA CB no N 43 . 5983 FON 44 . SING CA CT no N 44 . 5983 FON 45 . SING CA HA no N 45 . 5983 FON 46 . SING CB CG no N 46 . 5983 FON 47 . SING CB HB1 no N 47 . 5983 FON 48 . SING CB HB2 no N 48 . 5983 FON 49 . SING CG CD no N 49 . 5983 FON 50 . SING CG HG1 no N 50 . 5983 FON 51 . SING CG HG2 no N 51 . 5983 FON 52 . DOUB CD OE1 no N 52 . 5983 FON 53 . SING CD OE2 no N 53 . 5983 FON 54 . SING OE2 HOE2 no N 54 . 5983 FON 55 . DOUB CT O1 no N 55 . 5983 FON 56 . SING CT O2 no N 56 . 5983 FON 57 . SING O2 HO2 no N 57 . 5983 FON 58 . DOUB CP1 O3 no N 58 . 5983 FON 59 . SING CP1 HCP1 no N 59 . 5983 FON stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5983 _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 '5,10-formyltetrahydrofolate synthetase' [U-15N] . . 1 $MTHFS_monomer . . 1.5 1.0 1.5 mM . . . . 5983 1 2 '5-FORMYL-TETRAHYDROFOLIC ACID' . . . 2 $FON . . 1.5 1.0 1.5 mM . . . . 5983 1 3 KCl . . . . . . . 100 . . mM . . . . 5983 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5983 _Sample.ID 2 _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 '5,10-formyltetrahydrofolate synthetase' '[U-13C; U-15N]' . . 1 $MTHFS_monomer . . 1.5 1.0 1.5 mM . . . . 5983 2 2 '5-FORMYL-TETRAHYDROFOLIC ACID' . . . 2 $FON . . 1.5 1.0 1.5 mM . . . . 5983 2 3 KCl . . . . . . . 100 . . mM . . . . 5983 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5983 _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' 0.15 0.02 M 5983 1 pH 6.5 0.2 n/a 5983 1 temperature 303 1 K 5983 1 stop_ save_ ############################ # Computer software used # ############################ save_GIFA _Software.Sf_category software _Software.Sf_framecode GIFA _Software.Entry_ID 5983 _Software.ID 1 _Software.Name GIFA _Software.Version 4.3 _Software.Details . save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5983 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.1 _Software.Details . save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 5983 _Software.ID 3 _Software.Name XEASY _Software.Version 1.3.13 _Software.Details . save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 5983 _Software.ID 4 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5983 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5983 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5983 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY-plus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5983 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DRX . 500 . . . 5983 1 2 NMR_spectrometer_2 Bruker DRX . 800 . . . 5983 1 3 NMR_spectrometer_3 Varian UNITY-plus . 800 . . . 5983 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 5983 _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 HNCACB . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5983 1 2 CBCA(CO)NH . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5983 1 3 HN(CA)CO . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5983 1 4 HNCO . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5983 1 5 HNCA . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5983 1 6 NOESY-HSQC . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5983 1 7 HNHA . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5983 1 8 HCCH-COSY . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5983 1 9 HCCH-TOCSY . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5983 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 5983 _NMR_spec_expt.ID 1 _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_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5983 _NMR_spec_expt.ID 2 _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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5983 _NMR_spec_expt.ID 3 _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5983 _NMR_spec_expt.ID 4 _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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5983 _NMR_spec_expt.ID 5 _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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5983 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5983 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ 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 5983 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HCCH-COSY _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 5983 _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_ #################### # 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 5983 _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 . . . 1 $entry_citation . . 1 $entry_citation 5983 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 5983 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5983 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 5983 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5983 1 . . 2 $sample_2 . 5983 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 7 7 SER CA C 13 58.62 0.25 . 1 . . . . . . . . 5983 1 2 . 1 1 7 7 SER HA H 1 4.23 0.03 . 1 . . . . . . . . 5983 1 3 . 1 1 7 7 SER CB C 13 63.36 0.25 . 1 . . . . . . . . 5983 1 4 . 1 1 7 7 SER HB2 H 1 3.48 0.03 . 2 . . . . . . . . 5983 1 5 . 1 1 7 7 SER C C 13 174.38 0.25 . 1 . . . . . . . . 5983 1 6 . 1 1 8 8 ALA N N 15 126.40 0.15 . 1 . . . . . . . . 5983 1 7 . 1 1 8 8 ALA H H 1 8.43 0.03 . 1 . . . . . . . . 5983 1 8 . 1 1 8 8 ALA CA C 13 53.53 0.25 . 1 . . . . . . . . 5983 1 9 . 1 1 8 8 ALA HA H 1 4.15 0.03 . 1 . . . . . . . . 5983 1 10 . 1 1 8 8 ALA CB C 13 18.58 0.25 . 1 . . . . . . . . 5983 1 11 . 1 1 8 8 ALA HB1 H 1 1.31 0.03 . 1 . . . . . . . . 5983 1 12 . 1 1 8 8 ALA HB2 H 1 1.31 0.03 . 1 . . . . . . . . 5983 1 13 . 1 1 8 8 ALA HB3 H 1 1.31 0.03 . 1 . . . . . . . . 5983 1 14 . 1 1 8 8 ALA C C 13 178.63 0.25 . 1 . . . . . . . . 5983 1 15 . 1 1 9 9 LYS N N 15 119.66 0.15 . 1 . . . . . . . . 5983 1 16 . 1 1 9 9 LYS H H 1 8.20 0.03 . 1 . . . . . . . . 5983 1 17 . 1 1 9 9 LYS CA C 13 58.41 0.25 . 1 . . . . . . . . 5983 1 18 . 1 1 9 9 LYS HA H 1 3.89 0.03 . 1 . . . . . . . . 5983 1 19 . 1 1 9 9 LYS CB C 13 32.95 0.25 . 1 . . . . . . . . 5983 1 20 . 1 1 9 9 LYS HB2 H 1 1.68 0.03 . 2 . . . . . . . . 5983 1 21 . 1 1 9 9 LYS CG C 13 25.91 0.25 . 1 . . . . . . . . 5983 1 22 . 1 1 9 9 LYS HG2 H 1 1.44 0.03 . 2 . . . . . . . . 5983 1 23 . 1 1 9 9 LYS C C 13 176.66 0.25 . 1 . . . . . . . . 5983 1 24 . 1 1 10 10 ARG N N 15 120.82 0.15 . 1 . . . . . . . . 5983 1 25 . 1 1 10 10 ARG H H 1 8.13 0.03 . 1 . . . . . . . . 5983 1 26 . 1 1 10 10 ARG CA C 13 57.92 0.25 . 1 . . . . . . . . 5983 1 27 . 1 1 10 10 ARG HA H 1 4.04 0.03 . 1 . . . . . . . . 5983 1 28 . 1 1 10 10 ARG CB C 13 30.44 0.25 . 1 . . . . . . . . 5983 1 29 . 1 1 10 10 ARG HB2 H 1 1.94 0.03 . 2 . . . . . . . . 5983 1 30 . 1 1 10 10 ARG CG C 13 27.59 0.25 . 1 . . . . . . . . 5983 1 31 . 1 1 10 10 ARG HG3 H 1 1.79 0.03 . 2 . . . . . . . . 5983 1 32 . 1 1 10 10 ARG HG2 H 1 1.64 0.03 . 2 . . . . . . . . 5983 1 33 . 1 1 10 10 ARG CD C 13 43.28 0.25 . 1 . . . . . . . . 5983 1 34 . 1 1 10 10 ARG HD3 H 1 2.97 0.03 . 2 . . . . . . . . 5983 1 35 . 1 1 10 10 ARG HD2 H 1 3.07 0.03 . 2 . . . . . . . . 5983 1 36 . 1 1 10 10 ARG C C 13 177.59 0.25 . 1 . . . . . . . . 5983 1 37 . 1 1 11 11 SER N N 15 116.74 0.15 . 1 . . . . . . . . 5983 1 38 . 1 1 11 11 SER H H 1 8.34 0.03 . 1 . . . . . . . . 5983 1 39 . 1 1 11 11 SER CA C 13 59.18 0.25 . 1 . . . . . . . . 5983 1 40 . 1 1 11 11 SER HA H 1 4.26 0.03 . 1 . . . . . . . . 5983 1 41 . 1 1 11 11 SER CB C 13 63.22 0.25 . 1 . . . . . . . . 5983 1 42 . 1 1 11 11 SER HB3 H 1 3.75 0.03 . 2 . . . . . . . . 5983 1 43 . 1 1 11 11 SER HB2 H 1 3.90 0.03 . 2 . . . . . . . . 5983 1 44 . 1 1 11 11 SER C C 13 175.42 0.25 . 1 . . . . . . . . 5983 1 45 . 1 1 12 12 LEU N N 15 125.60 0.15 . 1 . . . . . . . . 5983 1 46 . 1 1 12 12 LEU H H 1 8.20 0.03 . 1 . . . . . . . . 5983 1 47 . 1 1 12 12 LEU CA C 13 57.57 0.25 . 1 . . . . . . . . 5983 1 48 . 1 1 12 12 LEU HA H 1 4.04 0.03 . 1 . . . . . . . . 5983 1 49 . 1 1 12 12 LEU CB C 13 41.32 0.25 . 1 . . . . . . . . 5983 1 50 . 1 1 12 12 LEU HB3 H 1 1.66 0.03 . 2 . . . . . . . . 5983 1 51 . 1 1 12 12 LEU HB2 H 1 1.89 0.03 . 2 . . . . . . . . 5983 1 52 . 1 1 12 12 LEU CG C 13 28.13 0.25 . 1 . . . . . . . . 5983 1 53 . 1 1 12 12 LEU HG H 1 0.94 0.03 . 1 . . . . . . . . 5983 1 54 . 1 1 12 12 LEU C C 13 177.92 0.25 . 1 . . . . . . . . 5983 1 55 . 1 1 13 13 ARG N N 15 117.44 0.15 . 1 . . . . . . . . 5983 1 56 . 1 1 13 13 ARG H H 1 8.40 0.03 . 1 . . . . . . . . 5983 1 57 . 1 1 13 13 ARG CA C 13 60.46 0.25 . 1 . . . . . . . . 5983 1 58 . 1 1 13 13 ARG HA H 1 3.62 0.03 . 1 . . . . . . . . 5983 1 59 . 1 1 13 13 ARG CB C 13 29.60 0.25 . 1 . . . . . . . . 5983 1 60 . 1 1 13 13 ARG HB2 H 1 1.72 0.03 . 2 . . . . . . . . 5983 1 61 . 1 1 13 13 ARG CD C 13 42.18 0.25 . 1 . . . . . . . . 5983 1 62 . 1 1 13 13 ARG HD3 H 1 2.43 0.03 . 2 . . . . . . . . 5983 1 63 . 1 1 13 13 ARG HD2 H 1 2.26 0.03 . 2 . . . . . . . . 5983 1 64 . 1 1 13 13 ARG C C 13 177.92 0.25 . 1 . . . . . . . . 5983 1 65 . 1 1 14 14 GLY N N 15 105.30 0.15 . 1 . . . . . . . . 5983 1 66 . 1 1 14 14 GLY H H 1 7.81 0.03 . 1 . . . . . . . . 5983 1 67 . 1 1 14 14 GLY CA C 13 47.04 0.25 . 1 . . . . . . . . 5983 1 68 . 1 1 14 14 GLY HA3 H 1 3.66 0.03 . 2 . . . . . . . . 5983 1 69 . 1 1 14 14 GLY HA2 H 1 3.80 0.03 . 2 . . . . . . . . 5983 1 70 . 1 1 14 14 GLY C C 13 176.00 0.25 . 1 . . . . . . . . 5983 1 71 . 1 1 15 15 GLU N N 15 123.86 0.15 . 1 . . . . . . . . 5983 1 72 . 1 1 15 15 GLU H H 1 8.04 0.03 . 1 . . . . . . . . 5983 1 73 . 1 1 15 15 GLU CA C 13 59.06 0.25 . 1 . . . . . . . . 5983 1 74 . 1 1 15 15 GLU HA H 1 3.86 0.03 . 1 . . . . . . . . 5983 1 75 . 1 1 15 15 GLU CB C 13 29.47 0.25 . 1 . . . . . . . . 5983 1 76 . 1 1 15 15 GLU HB3 H 1 2.23 0.03 . 2 . . . . . . . . 5983 1 77 . 1 1 15 15 GLU HB2 H 1 2.12 0.03 . 2 . . . . . . . . 5983 1 78 . 1 1 15 15 GLU CG C 13 35.40 0.25 . 1 . . . . . . . . 5983 1 79 . 1 1 15 15 GLU HG3 H 1 2.24 0.03 . 2 . . . . . . . . 5983 1 80 . 1 1 15 15 GLU HG2 H 1 2.15 0.03 . 2 . . . . . . . . 5983 1 81 . 1 1 15 15 GLU C C 13 179.00 0.25 . 1 . . . . . . . . 5983 1 82 . 1 1 16 16 LEU N N 15 120.90 0.15 . 1 . . . . . . . . 5983 1 83 . 1 1 16 16 LEU H H 1 8.48 0.03 . 1 . . . . . . . . 5983 1 84 . 1 1 16 16 LEU CA C 13 59.00 0.25 . 1 . . . . . . . . 5983 1 85 . 1 1 16 16 LEU HA H 1 4.45 0.03 . 1 . . . . . . . . 5983 1 86 . 1 1 16 16 LEU CB C 13 41.35 0.25 . 1 . . . . . . . . 5983 1 87 . 1 1 16 16 LEU HB2 H 1 1.82 0.03 . 2 . . . . . . . . 5983 1 88 . 1 1 16 16 LEU CG C 13 27.22 0.25 . 1 . . . . . . . . 5983 1 89 . 1 1 16 16 LEU HG H 1 1.79 0.03 . 1 . . . . . . . . 5983 1 90 . 1 1 16 16 LEU CD1 C 13 25.08 0.25 . 1 . . . . . . . . 5983 1 91 . 1 1 16 16 LEU HD11 H 1 0.84 0.03 . 2 . . . . . . . . 5983 1 92 . 1 1 16 16 LEU HD12 H 1 0.84 0.03 . 2 . . . . . . . . 5983 1 93 . 1 1 16 16 LEU HD13 H 1 0.84 0.03 . 2 . . . . . . . . 5983 1 94 . 1 1 16 16 LEU CD2 C 13 23.09 0.25 . 1 . . . . . . . . 5983 1 95 . 1 1 16 16 LEU HD21 H 1 0.82 0.03 . 2 . . . . . . . . 5983 1 96 . 1 1 16 16 LEU HD22 H 1 0.82 0.03 . 2 . . . . . . . . 5983 1 97 . 1 1 16 16 LEU HD23 H 1 0.82 0.03 . 2 . . . . . . . . 5983 1 98 . 1 1 16 16 LEU C C 13 178.48 0.25 . 1 . . . . . . . . 5983 1 99 . 1 1 17 17 LYS N N 15 118.02 0.15 . 1 . . . . . . . . 5983 1 100 . 1 1 17 17 LYS H H 1 8.18 0.03 . 1 . . . . . . . . 5983 1 101 . 1 1 17 17 LYS CA C 13 60.01 0.25 . 1 . . . . . . . . 5983 1 102 . 1 1 17 17 LYS HA H 1 4.32 0.03 . 1 . . . . . . . . 5983 1 103 . 1 1 17 17 LYS CB C 13 31.90 0.25 . 1 . . . . . . . . 5983 1 104 . 1 1 17 17 LYS HB2 H 1 1.82 0.03 . 2 . . . . . . . . 5983 1 105 . 1 1 17 17 LYS CG C 13 25.48 0.25 . 1 . . . . . . . . 5983 1 106 . 1 1 17 17 LYS HG2 H 1 1.37 0.03 . 2 . . . . . . . . 5983 1 107 . 1 1 17 17 LYS CD C 13 32.65 0.25 . 1 . . . . . . . . 5983 1 108 . 1 1 17 17 LYS HD2 H 1 1.77 0.03 . 2 . . . . . . . . 5983 1 109 . 1 1 17 17 LYS C C 13 179.06 0.25 . 1 . . . . . . . . 5983 1 110 . 1 1 18 18 GLN N N 15 117.79 0.15 . 1 . . . . . . . . 5983 1 111 . 1 1 18 18 GLN H H 1 7.64 0.03 . 1 . . . . . . . . 5983 1 112 . 1 1 18 18 GLN CA C 13 58.75 0.25 . 1 . . . . . . . . 5983 1 113 . 1 1 18 18 GLN HA H 1 3.88 0.03 . 1 . . . . . . . . 5983 1 114 . 1 1 18 18 GLN CB C 13 27.94 0.25 . 1 . . . . . . . . 5983 1 115 . 1 1 18 18 GLN HB3 H 1 2.27 0.03 . 2 . . . . . . . . 5983 1 116 . 1 1 18 18 GLN HB2 H 1 2.09 0.03 . 2 . . . . . . . . 5983 1 117 . 1 1 18 18 GLN CG C 13 33.72 0.25 . 1 . . . . . . . . 5983 1 118 . 1 1 18 18 GLN HG3 H 1 2.45 0.03 . 2 . . . . . . . . 5983 1 119 . 1 1 18 18 GLN HG2 H 1 2.35 0.03 . 2 . . . . . . . . 5983 1 120 . 1 1 18 18 GLN C C 13 178.12 0.25 . 1 . . . . . . . . 5983 1 121 . 1 1 19 19 ARG N N 15 119.89 0.15 . 1 . . . . . . . . 5983 1 122 . 1 1 19 19 ARG H H 1 7.97 0.03 . 1 . . . . . . . . 5983 1 123 . 1 1 19 19 ARG CA C 13 59.10 0.25 . 1 . . . . . . . . 5983 1 124 . 1 1 19 19 ARG HA H 1 3.92 0.03 . 1 . . . . . . . . 5983 1 125 . 1 1 19 19 ARG CB C 13 30.83 0.25 . 1 . . . . . . . . 5983 1 126 . 1 1 19 19 ARG HB3 H 1 1.77 0.03 . 2 . . . . . . . . 5983 1 127 . 1 1 19 19 ARG HB2 H 1 1.65 0.03 . 2 . . . . . . . . 5983 1 128 . 1 1 19 19 ARG CG C 13 27.10 0.25 . 1 . . . . . . . . 5983 1 129 . 1 1 19 19 ARG HG3 H 1 1.65 0.03 . 2 . . . . . . . . 5983 1 130 . 1 1 19 19 ARG HG2 H 1 1.39 0.03 . 2 . . . . . . . . 5983 1 131 . 1 1 19 19 ARG CD C 13 44.40 0.25 . 1 . . . . . . . . 5983 1 132 . 1 1 19 19 ARG HD3 H 1 3.17 0.03 . 2 . . . . . . . . 5983 1 133 . 1 1 19 19 ARG HD2 H 1 3.28 0.03 . 2 . . . . . . . . 5983 1 134 . 1 1 19 19 ARG C C 13 178.84 0.25 . 1 . . . . . . . . 5983 1 135 . 1 1 20 20 LEU N N 15 118.02 0.15 . 1 . . . . . . . . 5983 1 136 . 1 1 20 20 LEU H H 1 8.13 0.03 . 1 . . . . . . . . 5983 1 137 . 1 1 20 20 LEU CA C 13 56.95 0.25 . 1 . . . . . . . . 5983 1 138 . 1 1 20 20 LEU HA H 1 4.05 0.03 . 1 . . . . . . . . 5983 1 139 . 1 1 20 20 LEU CB C 13 41.32 0.25 . 1 . . . . . . . . 5983 1 140 . 1 1 20 20 LEU HB2 H 1 1.82 0.03 . 2 . . . . . . . . 5983 1 141 . 1 1 20 20 LEU CG C 13 26.66 0.25 . 1 . . . . . . . . 5983 1 142 . 1 1 20 20 LEU HG H 1 0.77 0.03 . 1 . . . . . . . . 5983 1 143 . 1 1 20 20 LEU CD1 C 13 24.65 0.25 . 1 . . . . . . . . 5983 1 144 . 1 1 20 20 LEU HD11 H 1 0.88 0.03 . 2 . . . . . . . . 5983 1 145 . 1 1 20 20 LEU HD12 H 1 0.88 0.03 . 2 . . . . . . . . 5983 1 146 . 1 1 20 20 LEU HD13 H 1 0.88 0.03 . 2 . . . . . . . . 5983 1 147 . 1 1 20 20 LEU CD2 C 13 22.18 0.25 . 1 . . . . . . . . 5983 1 148 . 1 1 20 20 LEU HD21 H 1 0.63 0.03 . 2 . . . . . . . . 5983 1 149 . 1 1 20 20 LEU HD22 H 1 0.63 0.03 . 2 . . . . . . . . 5983 1 150 . 1 1 20 20 LEU HD23 H 1 0.63 0.03 . 2 . . . . . . . . 5983 1 151 . 1 1 20 20 LEU C C 13 179.06 0.25 . 1 . . . . . . . . 5983 1 152 . 1 1 21 21 ARG N N 15 119.19 0.15 . 1 . . . . . . . . 5983 1 153 . 1 1 21 21 ARG H H 1 7.80 0.03 . 1 . . . . . . . . 5983 1 154 . 1 1 21 21 ARG CA C 13 57.99 0.25 . 1 . . . . . . . . 5983 1 155 . 1 1 21 21 ARG HA H 1 3.97 0.03 . 1 . . . . . . . . 5983 1 156 . 1 1 21 21 ARG CB C 13 29.74 0.25 . 1 . . . . . . . . 5983 1 157 . 1 1 21 21 ARG HB2 H 1 1.80 0.03 . 2 . . . . . . . . 5983 1 158 . 1 1 21 21 ARG CG C 13 27.29 0.25 . 1 . . . . . . . . 5983 1 159 . 1 1 21 21 ARG HG2 H 1 1.64 0.03 . 2 . . . . . . . . 5983 1 160 . 1 1 21 21 ARG CD C 13 43.25 0.25 . 1 . . . . . . . . 5983 1 161 . 1 1 21 21 ARG HD2 H 1 3.07 0.03 . 2 . . . . . . . . 5983 1 162 . 1 1 21 21 ARG C C 13 176.20 0.25 . 1 . . . . . . . . 5983 1 163 . 1 1 22 22 ALA N N 15 118.85 0.15 . 1 . . . . . . . . 5983 1 164 . 1 1 22 22 ALA H H 1 7.18 0.03 . 1 . . . . . . . . 5983 1 165 . 1 1 22 22 ALA CA C 13 51.78 0.25 . 1 . . . . . . . . 5983 1 166 . 1 1 22 22 ALA HA H 1 4.15 0.03 . 1 . . . . . . . . 5983 1 167 . 1 1 22 22 ALA CB C 13 18.72 0.25 . 1 . . . . . . . . 5983 1 168 . 1 1 22 22 ALA HB1 H 1 1.36 0.03 . 1 . . . . . . . . 5983 1 169 . 1 1 22 22 ALA HB2 H 1 1.36 0.03 . 1 . . . . . . . . 5983 1 170 . 1 1 22 22 ALA HB3 H 1 1.36 0.03 . 1 . . . . . . . . 5983 1 171 . 1 1 22 22 ALA C C 13 176.85 0.25 . 1 . . . . . . . . 5983 1 172 . 1 1 23 23 MET N N 15 119.66 0.15 . 1 . . . . . . . . 5983 1 173 . 1 1 23 23 MET H H 1 7.04 0.03 . 1 . . . . . . . . 5983 1 174 . 1 1 23 23 MET CA C 13 55.90 0.25 . 1 . . . . . . . . 5983 1 175 . 1 1 23 23 MET HA H 1 3.99 0.03 . 1 . . . . . . . . 5983 1 176 . 1 1 23 23 MET CB C 13 33.65 0.25 . 1 . . . . . . . . 5983 1 177 . 1 1 23 23 MET HB3 H 1 2.35 0.03 . 2 . . . . . . . . 5983 1 178 . 1 1 23 23 MET CG C 13 31.12 0.25 . 1 . . . . . . . . 5983 1 179 . 1 1 23 23 MET C C 13 175.55 0.25 . 1 . . . . . . . . 5983 1 180 . 1 1 24 24 SER N N 15 122.70 0.15 . 1 . . . . . . . . 5983 1 181 . 1 1 24 24 SER H H 1 8.70 0.03 . 1 . . . . . . . . 5983 1 182 . 1 1 24 24 SER CA C 13 56.95 0.25 . 1 . . . . . . . . 5983 1 183 . 1 1 24 24 SER HA H 1 4.36 0.03 . 1 . . . . . . . . 5983 1 184 . 1 1 24 24 SER CB C 13 64.76 0.25 . 1 . . . . . . . . 5983 1 185 . 1 1 24 24 SER HB2 H 1 4.00 0.03 . 2 . . . . . . . . 5983 1 186 . 1 1 24 24 SER C C 13 174.50 0.25 . 1 . . . . . . . . 5983 1 187 . 1 1 25 25 ALA N N 15 125.85 0.15 . 1 . . . . . . . . 5983 1 188 . 1 1 25 25 ALA H H 1 8.97 0.03 . 1 . . . . . . . . 5983 1 189 . 1 1 25 25 ALA CA C 13 54.99 0.25 . 1 . . . . . . . . 5983 1 190 . 1 1 25 25 ALA HA H 1 4.01 0.03 . 1 . . . . . . . . 5983 1 191 . 1 1 25 25 ALA CB C 13 17.89 0.25 . 1 . . . . . . . . 5983 1 192 . 1 1 25 25 ALA HB1 H 1 1.43 0.03 . 1 . . . . . . . . 5983 1 193 . 1 1 25 25 ALA HB2 H 1 1.43 0.03 . 1 . . . . . . . . 5983 1 194 . 1 1 25 25 ALA HB3 H 1 1.43 0.03 . 1 . . . . . . . . 5983 1 195 . 1 1 25 25 ALA C C 13 180.67 0.25 . 1 . . . . . . . . 5983 1 196 . 1 1 26 26 GLU N N 15 117.82 0.15 . 1 . . . . . . . . 5983 1 197 . 1 1 26 26 GLU H H 1 8.89 0.03 . 1 . . . . . . . . 5983 1 198 . 1 1 26 26 GLU CA C 13 59.74 0.25 . 1 . . . . . . . . 5983 1 199 . 1 1 26 26 GLU HA H 1 3.94 0.03 . 1 . . . . . . . . 5983 1 200 . 1 1 26 26 GLU CB C 13 28.84 0.25 . 1 . . . . . . . . 5983 1 201 . 1 1 26 26 GLU HB3 H 1 1.91 0.03 . 2 . . . . . . . . 5983 1 202 . 1 1 26 26 GLU HB2 H 1 2.04 0.03 . 2 . . . . . . . . 5983 1 203 . 1 1 26 26 GLU CG C 13 36.45 0.25 . 1 . . . . . . . . 5983 1 204 . 1 1 26 26 GLU HG3 H 1 2.24 0.03 . 2 . . . . . . . . 5983 1 205 . 1 1 26 26 GLU HG2 H 1 2.36 0.03 . 2 . . . . . . . . 5983 1 206 . 1 1 26 26 GLU C C 13 178.40 0.25 . 1 . . . . . . . . 5983 1 207 . 1 1 27 27 GLU N N 15 124.68 0.15 . 1 . . . . . . . . 5983 1 208 . 1 1 27 27 GLU H H 1 8.10 0.03 . 1 . . . . . . . . 5983 1 209 . 1 1 27 27 GLU CA C 13 57.75 0.25 . 1 . . . . . . . . 5983 1 210 . 1 1 27 27 GLU HA H 1 3.90 0.03 . 1 . . . . . . . . 5983 1 211 . 1 1 27 27 GLU CB C 13 28.30 0.25 . 1 . . . . . . . . 5983 1 212 . 1 1 27 27 GLU HB2 H 1 2.00 0.03 . 2 . . . . . . . . 5983 1 213 . 1 1 27 27 GLU CG C 13 33.65 0.25 . 1 . . . . . . . . 5983 1 214 . 1 1 27 27 GLU HG3 H 1 2.36 0.03 . 2 . . . . . . . . 5983 1 215 . 1 1 27 27 GLU HG2 H 1 2.50 0.03 . 2 . . . . . . . . 5983 1 216 . 1 1 27 27 GLU C C 13 177.87 0.25 . 1 . . . . . . . . 5983 1 217 . 1 1 28 28 ARG N N 15 120.59 0.15 . 1 . . . . . . . . 5983 1 218 . 1 1 28 28 ARG H H 1 8.08 0.03 . 1 . . . . . . . . 5983 1 219 . 1 1 28 28 ARG CA C 13 58.90 0.25 . 1 . . . . . . . . 5983 1 220 . 1 1 28 28 ARG HA H 1 4.13 0.03 . 1 . . . . . . . . 5983 1 221 . 1 1 28 28 ARG CB C 13 28.38 0.25 . 1 . . . . . . . . 5983 1 222 . 1 1 28 28 ARG HB3 H 1 2.27 0.03 . 2 . . . . . . . . 5983 1 223 . 1 1 28 28 ARG HB2 H 1 2.12 0.03 . 2 . . . . . . . . 5983 1 224 . 1 1 28 28 ARG C C 13 180.44 0.25 . 1 . . . . . . . . 5983 1 225 . 1 1 29 29 LEU N N 15 122.69 0.15 . 1 . . . . . . . . 5983 1 226 . 1 1 29 29 LEU H H 1 8.10 0.03 . 1 . . . . . . . . 5983 1 227 . 1 1 29 29 LEU CA C 13 57.74 0.25 . 1 . . . . . . . . 5983 1 228 . 1 1 29 29 LEU HA H 1 4.04 0.03 . 1 . . . . . . . . 5983 1 229 . 1 1 29 29 LEU CB C 13 41.06 0.25 . 1 . . . . . . . . 5983 1 230 . 1 1 29 29 LEU HB3 H 1 1.65 0.03 . 2 . . . . . . . . 5983 1 231 . 1 1 29 29 LEU HB2 H 1 1.89 0.03 . 2 . . . . . . . . 5983 1 232 . 1 1 29 29 LEU CG C 13 28.12 0.25 . 1 . . . . . . . . 5983 1 233 . 1 1 29 29 LEU HG H 1 1.44 0.03 . 1 . . . . . . . . 5983 1 234 . 1 1 29 29 LEU C C 13 177.72 0.25 . 1 . . . . . . . . 5983 1 235 . 1 1 30 30 ARG N N 15 122.93 0.15 . 1 . . . . . . . . 5983 1 236 . 1 1 30 30 ARG H H 1 8.55 0.03 . 1 . . . . . . . . 5983 1 237 . 1 1 30 30 ARG CA C 13 60.19 0.25 . 1 . . . . . . . . 5983 1 238 . 1 1 30 30 ARG HA H 1 4.10 0.03 . 1 . . . . . . . . 5983 1 239 . 1 1 30 30 ARG CB C 13 29.80 0.25 . 1 . . . . . . . . 5983 1 240 . 1 1 30 30 ARG C C 13 179.79 0.25 . 1 . . . . . . . . 5983 1 241 . 1 1 31 31 GLN N N 15 115.96 0.15 . 1 . . . . . . . . 5983 1 242 . 1 1 31 31 GLN H H 1 8.49 0.03 . 1 . . . . . . . . 5983 1 243 . 1 1 31 31 GLN CA C 13 61.54 0.25 . 1 . . . . . . . . 5983 1 244 . 1 1 31 31 GLN HA H 1 3.81 0.03 . 1 . . . . . . . . 5983 1 245 . 1 1 31 31 GLN CB C 13 29.54 0.25 . 1 . . . . . . . . 5983 1 246 . 1 1 31 31 GLN HB3 H 1 2.24 0.03 . 2 . . . . . . . . 5983 1 247 . 1 1 31 31 GLN HB2 H 1 1.88 0.03 . 2 . . . . . . . . 5983 1 248 . 1 1 31 31 GLN CG C 13 36.00 0.25 . 1 . . . . . . . . 5983 1 249 . 1 1 31 31 GLN HG3 H 1 2.14 0.03 . 2 . . . . . . . . 5983 1 250 . 1 1 31 31 GLN HG2 H 1 2.25 0.03 . 2 . . . . . . . . 5983 1 251 . 1 1 31 31 GLN C C 13 177.79 0.25 . 1 . . . . . . . . 5983 1 252 . 1 1 32 32 SER N N 15 114.49 0.15 . 1 . . . . . . . . 5983 1 253 . 1 1 32 32 SER H H 1 7.99 0.03 . 1 . . . . . . . . 5983 1 254 . 1 1 32 32 SER CA C 13 61.57 0.25 . 1 . . . . . . . . 5983 1 255 . 1 1 32 32 SER HA H 1 4.15 0.03 . 1 . . . . . . . . 5983 1 256 . 1 1 32 32 SER CB C 13 63.17 0.25 . 1 . . . . . . . . 5983 1 257 . 1 1 32 32 SER HB2 H 1 4.24 0.03 . 2 . . . . . . . . 5983 1 258 . 1 1 32 32 SER C C 13 175.44 0.25 . 1 . . . . . . . . 5983 1 259 . 1 1 33 33 ARG N N 15 125.14 0.15 . 1 . . . . . . . . 5983 1 260 . 1 1 33 33 ARG H H 1 8.50 0.03 . 1 . . . . . . . . 5983 1 261 . 1 1 33 33 ARG CA C 13 59.44 0.25 . 1 . . . . . . . . 5983 1 262 . 1 1 33 33 ARG HA H 1 4.11 0.03 . 1 . . . . . . . . 5983 1 263 . 1 1 33 33 ARG CB C 13 29.54 0.25 . 1 . . . . . . . . 5983 1 264 . 1 1 33 33 ARG C C 13 178.81 0.25 . 1 . . . . . . . . 5983 1 265 . 1 1 34 34 VAL N N 15 120.52 0.15 . 1 . . . . . . . . 5983 1 266 . 1 1 34 34 VAL H H 1 7.66 0.03 . 1 . . . . . . . . 5983 1 267 . 1 1 34 34 VAL CA C 13 66.13 0.25 . 1 . . . . . . . . 5983 1 268 . 1 1 34 34 VAL HA H 1 3.60 0.03 . 1 . . . . . . . . 5983 1 269 . 1 1 34 34 VAL CB C 13 31.63 0.25 . 1 . . . . . . . . 5983 1 270 . 1 1 34 34 VAL HB H 1 2.20 0.03 . 1 . . . . . . . . 5983 1 271 . 1 1 34 34 VAL CG2 C 13 20.90 0.25 . 1 . . . . . . . . 5983 1 272 . 1 1 34 34 VAL HG21 H 1 0.91 0.03 . 2 . . . . . . . . 5983 1 273 . 1 1 34 34 VAL HG22 H 1 0.91 0.03 . 2 . . . . . . . . 5983 1 274 . 1 1 34 34 VAL HG23 H 1 0.91 0.03 . 2 . . . . . . . . 5983 1 275 . 1 1 34 34 VAL CG1 C 13 21.82 0.25 . 1 . . . . . . . . 5983 1 276 . 1 1 34 34 VAL HG11 H 1 1.06 0.03 . 2 . . . . . . . . 5983 1 277 . 1 1 34 34 VAL HG12 H 1 1.06 0.03 . 2 . . . . . . . . 5983 1 278 . 1 1 34 34 VAL HG13 H 1 1.06 0.03 . 2 . . . . . . . . 5983 1 279 . 1 1 34 34 VAL C C 13 179.00 0.25 . 1 . . . . . . . . 5983 1 280 . 1 1 35 35 LEU N N 15 118.35 0.15 . 1 . . . . . . . . 5983 1 281 . 1 1 35 35 LEU H H 1 8.28 0.03 . 1 . . . . . . . . 5983 1 282 . 1 1 35 35 LEU CA C 13 57.34 0.25 . 1 . . . . . . . . 5983 1 283 . 1 1 35 35 LEU HA H 1 3.86 0.03 . 1 . . . . . . . . 5983 1 284 . 1 1 35 35 LEU CB C 13 40.27 0.25 . 1 . . . . . . . . 5983 1 285 . 1 1 35 35 LEU HB3 H 1 1.78 0.03 . 2 . . . . . . . . 5983 1 286 . 1 1 35 35 LEU HB2 H 1 2.06 0.03 . 2 . . . . . . . . 5983 1 287 . 1 1 35 35 LEU CG C 13 26.40 0.25 . 1 . . . . . . . . 5983 1 288 . 1 1 35 35 LEU HG H 1 1.43 0.03 . 1 . . . . . . . . 5983 1 289 . 1 1 35 35 LEU C C 13 178.62 0.25 . 1 . . . . . . . . 5983 1 290 . 1 1 36 36 SER N N 15 116.39 0.15 . 1 . . . . . . . . 5983 1 291 . 1 1 36 36 SER H H 1 8.49 0.03 . 1 . . . . . . . . 5983 1 292 . 1 1 36 36 SER CA C 13 62.24 0.25 . 1 . . . . . . . . 5983 1 293 . 1 1 36 36 SER HA H 1 3.67 0.03 . 1 . . . . . . . . 5983 1 294 . 1 1 36 36 SER CB C 13 63.10 0.25 . 1 . . . . . . . . 5983 1 295 . 1 1 36 36 SER HB2 H 1 3.61 0.03 . 2 . . . . . . . . 5983 1 296 . 1 1 36 36 SER C C 13 174.71 0.25 . 1 . . . . . . . . 5983 1 297 . 1 1 37 37 GLN N N 15 118.22 0.15 . 1 . . . . . . . . 5983 1 298 . 1 1 37 37 GLN H H 1 7.15 0.03 . 1 . . . . . . . . 5983 1 299 . 1 1 37 37 GLN CA C 13 58.30 0.25 . 1 . . . . . . . . 5983 1 300 . 1 1 37 37 GLN HA H 1 3.90 0.03 . 1 . . . . . . . . 5983 1 301 . 1 1 37 37 GLN CB C 13 28.00 0.25 . 1 . . . . . . . . 5983 1 302 . 1 1 37 37 GLN HB2 H 1 2.06 0.03 . 2 . . . . . . . . 5983 1 303 . 1 1 37 37 GLN CG C 13 33.72 0.25 . 1 . . . . . . . . 5983 1 304 . 1 1 37 37 GLN HG3 H 1 2.36 0.03 . 2 . . . . . . . . 5983 1 305 . 1 1 37 37 GLN HG2 H 1 2.57 0.03 . 2 . . . . . . . . 5983 1 306 . 1 1 37 37 GLN C C 13 178.30 0.25 . 1 . . . . . . . . 5983 1 307 . 1 1 38 38 LYS N N 15 119.03 0.15 . 1 . . . . . . . . 5983 1 308 . 1 1 38 38 LYS H H 1 7.38 0.03 . 1 . . . . . . . . 5983 1 309 . 1 1 38 38 LYS CA C 13 59.10 0.25 . 1 . . . . . . . . 5983 1 310 . 1 1 38 38 LYS HA H 1 4.12 0.03 . 1 . . . . . . . . 5983 1 311 . 1 1 38 38 LYS CB C 13 32.81 0.25 . 1 . . . . . . . . 5983 1 312 . 1 1 38 38 LYS HB3 H 1 1.62 0.03 . 2 . . . . . . . . 5983 1 313 . 1 1 38 38 LYS HB2 H 1 1.43 0.03 . 2 . . . . . . . . 5983 1 314 . 1 1 38 38 LYS CG C 13 25.20 0.25 . 1 . . . . . . . . 5983 1 315 . 1 1 38 38 LYS HG2 H 1 1.38 0.03 . 2 . . . . . . . . 5983 1 316 . 1 1 38 38 LYS CD C 13 28.91 0.25 . 1 . . . . . . . . 5983 1 317 . 1 1 38 38 LYS HD2 H 1 1.63 0.03 . 2 . . . . . . . . 5983 1 318 . 1 1 38 38 LYS CE C 13 41.70 0.25 . 1 . . . . . . . . 5983 1 319 . 1 1 38 38 LYS HE2 H 1 2.87 0.03 . 2 . . . . . . . . 5983 1 320 . 1 1 38 38 LYS C C 13 178.70 0.25 . 1 . . . . . . . . 5983 1 321 . 1 1 39 39 VAL N N 15 119.74 0.15 . 1 . . . . . . . . 5983 1 322 . 1 1 39 39 VAL H H 1 8.34 0.03 . 1 . . . . . . . . 5983 1 323 . 1 1 39 39 VAL CA C 13 66.80 0.25 . 1 . . . . . . . . 5983 1 324 . 1 1 39 39 VAL HA H 1 3.11 0.03 . 1 . . . . . . . . 5983 1 325 . 1 1 39 39 VAL CB C 13 31.07 0.25 . 1 . . . . . . . . 5983 1 326 . 1 1 39 39 VAL HB H 1 1.76 0.03 . 1 . . . . . . . . 5983 1 327 . 1 1 39 39 VAL CG2 C 13 20.64 0.25 . 1 . . . . . . . . 5983 1 328 . 1 1 39 39 VAL HG21 H 1 0.82 0.03 . 2 . . . . . . . . 5983 1 329 . 1 1 39 39 VAL HG22 H 1 0.82 0.03 . 2 . . . . . . . . 5983 1 330 . 1 1 39 39 VAL HG23 H 1 0.82 0.03 . 2 . . . . . . . . 5983 1 331 . 1 1 39 39 VAL CG1 C 13 22.15 0.25 . 1 . . . . . . . . 5983 1 332 . 1 1 39 39 VAL HG11 H 1 0.23 0.03 . 2 . . . . . . . . 5983 1 333 . 1 1 39 39 VAL HG12 H 1 0.23 0.03 . 2 . . . . . . . . 5983 1 334 . 1 1 39 39 VAL HG13 H 1 0.23 0.03 . 2 . . . . . . . . 5983 1 335 . 1 1 39 39 VAL C C 13 176.37 0.25 . 1 . . . . . . . . 5983 1 336 . 1 1 40 40 ILE N N 15 116.38 0.15 . 1 . . . . . . . . 5983 1 337 . 1 1 40 40 ILE H H 1 7.50 0.03 . 1 . . . . . . . . 5983 1 338 . 1 1 40 40 ILE CA C 13 64.16 0.25 . 1 . . . . . . . . 5983 1 339 . 1 1 40 40 ILE HA H 1 3.53 0.03 . 1 . . . . . . . . 5983 1 340 . 1 1 40 40 ILE CB C 13 37.85 0.25 . 1 . . . . . . . . 5983 1 341 . 1 1 40 40 ILE HB H 1 1.53 0.03 . 1 . . . . . . . . 5983 1 342 . 1 1 40 40 ILE CG1 C 13 28.89 0.25 . 2 . . . . . . . . 5983 1 343 . 1 1 40 40 ILE HG13 H 1 0.94 0.03 . 1 . . . . . . . . 5983 1 344 . 1 1 40 40 ILE HG12 H 1 1.22 0.03 . 1 . . . . . . . . 5983 1 345 . 1 1 40 40 ILE CD1 C 13 13.33 0.25 . 1 . . . . . . . . 5983 1 346 . 1 1 40 40 ILE HD11 H 1 0.50 0.03 . 1 . . . . . . . . 5983 1 347 . 1 1 40 40 ILE HD12 H 1 0.50 0.03 . 1 . . . . . . . . 5983 1 348 . 1 1 40 40 ILE HD13 H 1 0.50 0.03 . 1 . . . . . . . . 5983 1 349 . 1 1 40 40 ILE CG2 C 13 17.16 0.25 . 1 . . . . . . . . 5983 1 350 . 1 1 40 40 ILE HG21 H 1 0.81 0.03 . 1 . . . . . . . . 5983 1 351 . 1 1 40 40 ILE HG22 H 1 0.81 0.03 . 1 . . . . . . . . 5983 1 352 . 1 1 40 40 ILE HG23 H 1 0.81 0.03 . 1 . . . . . . . . 5983 1 353 . 1 1 40 40 ILE C C 13 175.96 0.25 . 1 . . . . . . . . 5983 1 354 . 1 1 41 41 ALA N N 15 118.92 0.15 . 1 . . . . . . . . 5983 1 355 . 1 1 41 41 ALA H H 1 6.87 0.03 . 1 . . . . . . . . 5983 1 356 . 1 1 41 41 ALA CA C 13 51.40 0.25 . 1 . . . . . . . . 5983 1 357 . 1 1 41 41 ALA HA H 1 4.22 0.03 . 1 . . . . . . . . 5983 1 358 . 1 1 41 41 ALA CB C 13 19.38 0.25 . 1 . . . . . . . . 5983 1 359 . 1 1 41 41 ALA HB1 H 1 1.48 0.03 . 1 . . . . . . . . 5983 1 360 . 1 1 41 41 ALA HB2 H 1 1.48 0.03 . 1 . . . . . . . . 5983 1 361 . 1 1 41 41 ALA HB3 H 1 1.48 0.03 . 1 . . . . . . . . 5983 1 362 . 1 1 41 41 ALA C C 13 176.01 0.25 . 1 . . . . . . . . 5983 1 363 . 1 1 42 42 HIS N N 15 124.88 0.15 . 1 . . . . . . . . 5983 1 364 . 1 1 42 42 HIS H H 1 8.10 0.03 . 1 . . . . . . . . 5983 1 365 . 1 1 42 42 HIS CA C 13 58.40 0.25 . 1 . . . . . . . . 5983 1 366 . 1 1 42 42 HIS HA H 1 4.10 0.03 . 1 . . . . . . . . 5983 1 367 . 1 1 42 42 HIS CB C 13 32.48 0.25 . 1 . . . . . . . . 5983 1 368 . 1 1 42 42 HIS HB3 H 1 3.37 0.03 . 2 . . . . . . . . 5983 1 369 . 1 1 42 42 HIS HB2 H 1 3.31 0.03 . 2 . . . . . . . . 5983 1 370 . 1 1 42 42 HIS C C 13 177.45 0.25 . 1 . . . . . . . . 5983 1 371 . 1 1 43 43 SER N N 15 124.85 0.15 . 1 . . . . . . . . 5983 1 372 . 1 1 43 43 SER H H 1 8.82 0.03 . 1 . . . . . . . . 5983 1 373 . 1 1 43 43 SER CA C 13 54.37 0.25 . 1 . . . . . . . . 5983 1 374 . 1 1 43 43 SER HA H 1 3.02 0.03 . 1 . . . . . . . . 5983 1 375 . 1 1 43 43 SER CB C 13 62.58 0.25 . 1 . . . . . . . . 5983 1 376 . 1 1 43 43 SER HB3 H 1 3.67 0.03 . 2 . . . . . . . . 5983 1 377 . 1 1 43 43 SER HB2 H 1 3.55 0.03 . 2 . . . . . . . . 5983 1 378 . 1 1 43 43 SER C C 13 176.96 0.25 . 1 . . . . . . . . 5983 1 379 . 1 1 44 44 GLU N N 15 123.24 0.15 . 1 . . . . . . . . 5983 1 380 . 1 1 44 44 GLU H H 1 10.14 0.03 . 1 . . . . . . . . 5983 1 381 . 1 1 44 44 GLU CA C 13 57.93 0.25 . 1 . . . . . . . . 5983 1 382 . 1 1 44 44 GLU HA H 1 3.90 0.03 . 1 . . . . . . . . 5983 1 383 . 1 1 44 44 GLU CB C 13 28.15 0.25 . 1 . . . . . . . . 5983 1 384 . 1 1 44 44 GLU HB2 H 1 1.46 0.03 . 2 . . . . . . . . 5983 1 385 . 1 1 44 44 GLU C C 13 179.42 0.25 . 1 . . . . . . . . 5983 1 386 . 1 1 45 45 TYR N N 15 121.21 0.15 . 1 . . . . . . . . 5983 1 387 . 1 1 45 45 TYR H H 1 7.34 0.03 . 1 . . . . . . . . 5983 1 388 . 1 1 45 45 TYR CA C 13 61.42 0.25 . 1 . . . . . . . . 5983 1 389 . 1 1 45 45 TYR HA H 1 3.86 0.03 . 1 . . . . . . . . 5983 1 390 . 1 1 45 45 TYR CB C 13 38.78 0.25 . 1 . . . . . . . . 5983 1 391 . 1 1 45 45 TYR HB2 H 1 3.46 0.03 . 2 . . . . . . . . 5983 1 392 . 1 1 45 45 TYR C C 13 177.21 0.25 . 1 . . . . . . . . 5983 1 393 . 1 1 46 46 GLN N N 15 116.73 0.15 . 1 . . . . . . . . 5983 1 394 . 1 1 46 46 GLN H H 1 8.42 0.03 . 1 . . . . . . . . 5983 1 395 . 1 1 46 46 GLN CA C 13 59.53 0.25 . 1 . . . . . . . . 5983 1 396 . 1 1 46 46 GLN HA H 1 3.39 0.03 . 1 . . . . . . . . 5983 1 397 . 1 1 46 46 GLN CB C 13 27.53 0.25 . 1 . . . . . . . . 5983 1 398 . 1 1 46 46 GLN HB3 H 1 1.82 0.03 . 2 . . . . . . . . 5983 1 399 . 1 1 46 46 GLN HB2 H 1 1.63 0.03 . 2 . . . . . . . . 5983 1 400 . 1 1 46 46 GLN CG C 13 31.00 0.25 . 1 . . . . . . . . 5983 1 401 . 1 1 46 46 GLN HG2 H 1 1.77 0.03 . 2 . . . . . . . . 5983 1 402 . 1 1 46 46 GLN C C 13 178.16 0.25 . 1 . . . . . . . . 5983 1 403 . 1 1 47 47 LYS N N 15 115.37 0.15 . 1 . . . . . . . . 5983 1 404 . 1 1 47 47 LYS H H 1 7.41 0.03 . 1 . . . . . . . . 5983 1 405 . 1 1 47 47 LYS CA C 13 57.34 0.25 . 1 . . . . . . . . 5983 1 406 . 1 1 47 47 LYS HA H 1 3.98 0.03 . 1 . . . . . . . . 5983 1 407 . 1 1 47 47 LYS CB C 13 32.95 0.25 . 1 . . . . . . . . 5983 1 408 . 1 1 47 47 LYS HB2 H 1 1.72 0.03 . 2 . . . . . . . . 5983 1 409 . 1 1 47 47 LYS CG C 13 24.12 0.25 . 1 . . . . . . . . 5983 1 410 . 1 1 47 47 LYS HG2 H 1 1.35 0.03 . 2 . . . . . . . . 5983 1 411 . 1 1 47 47 LYS CD C 13 29.04 0.25 . 1 . . . . . . . . 5983 1 412 . 1 1 47 47 LYS HD2 H 1 1.52 0.03 . 2 . . . . . . . . 5983 1 413 . 1 1 47 47 LYS CE C 13 41.86 0.25 . 1 . . . . . . . . 5983 1 414 . 1 1 47 47 LYS HE2 H 1 2.97 0.03 . 2 . . . . . . . . 5983 1 415 . 1 1 47 47 LYS C C 13 176.70 0.25 . 1 . . . . . . . . 5983 1 416 . 1 1 48 48 SER N N 15 116.60 0.15 . 1 . . . . . . . . 5983 1 417 . 1 1 48 48 SER H H 1 7.11 0.03 . 1 . . . . . . . . 5983 1 418 . 1 1 48 48 SER CA C 13 60.85 0.25 . 1 . . . . . . . . 5983 1 419 . 1 1 48 48 SER HA H 1 3.90 0.03 . 1 . . . . . . . . 5983 1 420 . 1 1 48 48 SER CB C 13 64.43 0.25 . 1 . . . . . . . . 5983 1 421 . 1 1 48 48 SER HB2 H 1 3.53 0.03 . 2 . . . . . . . . 5983 1 422 . 1 1 48 48 SER C C 13 171.88 0.25 . 1 . . . . . . . . 5983 1 423 . 1 1 49 49 LYS N N 15 122.95 0.15 . 1 . . . . . . . . 5983 1 424 . 1 1 49 49 LYS H H 1 8.96 0.03 . 1 . . . . . . . . 5983 1 425 . 1 1 49 49 LYS CA C 13 57.18 0.25 . 1 . . . . . . . . 5983 1 426 . 1 1 49 49 LYS HA H 1 4.36 0.03 . 1 . . . . . . . . 5983 1 427 . 1 1 49 49 LYS CB C 13 34.65 0.25 . 1 . . . . . . . . 5983 1 428 . 1 1 49 49 LYS HB3 H 1 1.76 0.03 . 2 . . . . . . . . 5983 1 429 . 1 1 49 49 LYS HB2 H 1 2.02 0.03 . 2 . . . . . . . . 5983 1 430 . 1 1 49 49 LYS CG C 13 25.00 0.25 . 1 . . . . . . . . 5983 1 431 . 1 1 49 49 LYS HG2 H 1 1.58 0.03 . 2 . . . . . . . . 5983 1 432 . 1 1 49 49 LYS CD C 13 24.59 0.25 . 1 . . . . . . . . 5983 1 433 . 1 1 49 49 LYS HD3 H 1 0.78 0.03 . 2 . . . . . . . . 5983 1 434 . 1 1 49 49 LYS HD2 H 1 0.91 0.03 . 2 . . . . . . . . 5983 1 435 . 1 1 49 49 LYS C C 13 177.24 0.25 . 1 . . . . . . . . 5983 1 436 . 1 1 50 50 ARG N N 15 120.78 0.15 . 1 . . . . . . . . 5983 1 437 . 1 1 50 50 ARG H H 1 8.73 0.03 . 1 . . . . . . . . 5983 1 438 . 1 1 50 50 ARG CA C 13 55.67 0.25 . 1 . . . . . . . . 5983 1 439 . 1 1 50 50 ARG HA H 1 4.75 0.03 . 1 . . . . . . . . 5983 1 440 . 1 1 50 50 ARG CB C 13 32.10 0.25 . 1 . . . . . . . . 5983 1 441 . 1 1 50 50 ARG HB2 H 1 1.58 0.03 . 2 . . . . . . . . 5983 1 442 . 1 1 50 50 ARG C C 13 174.70 0.25 . 1 . . . . . . . . 5983 1 443 . 1 1 51 51 ILE N N 15 126.46 0.15 . 1 . . . . . . . . 5983 1 444 . 1 1 51 51 ILE H H 1 8.99 0.03 . 1 . . . . . . . . 5983 1 445 . 1 1 51 51 ILE CA C 13 59.63 0.25 . 1 . . . . . . . . 5983 1 446 . 1 1 51 51 ILE HA H 1 4.99 0.03 . 1 . . . . . . . . 5983 1 447 . 1 1 51 51 ILE CB C 13 42.47 0.25 . 1 . . . . . . . . 5983 1 448 . 1 1 51 51 ILE HB H 1 1.75 0.03 . 1 . . . . . . . . 5983 1 449 . 1 1 51 51 ILE CG1 C 13 28.30 0.25 . 2 . . . . . . . . 5983 1 450 . 1 1 51 51 ILE HG13 H 1 1.12 0.03 . 1 . . . . . . . . 5983 1 451 . 1 1 51 51 ILE HG12 H 1 1.38 0.03 . 1 . . . . . . . . 5983 1 452 . 1 1 51 51 ILE CD1 C 13 15.37 0.25 . 1 . . . . . . . . 5983 1 453 . 1 1 51 51 ILE HD11 H 1 0.78 0.03 . 1 . . . . . . . . 5983 1 454 . 1 1 51 51 ILE HD12 H 1 0.78 0.03 . 1 . . . . . . . . 5983 1 455 . 1 1 51 51 ILE HD13 H 1 0.78 0.03 . 1 . . . . . . . . 5983 1 456 . 1 1 51 51 ILE CG2 C 13 18.63 0.25 . 1 . . . . . . . . 5983 1 457 . 1 1 51 51 ILE HG21 H 1 1.04 0.03 . 1 . . . . . . . . 5983 1 458 . 1 1 51 51 ILE HG22 H 1 1.04 0.03 . 1 . . . . . . . . 5983 1 459 . 1 1 51 51 ILE HG23 H 1 1.04 0.03 . 1 . . . . . . . . 5983 1 460 . 1 1 51 51 ILE C C 13 173.79 0.25 . 1 . . . . . . . . 5983 1 461 . 1 1 52 52 SER N N 15 119.42 0.15 . 1 . . . . . . . . 5983 1 462 . 1 1 52 52 SER H H 1 8.57 0.03 . 1 . . . . . . . . 5983 1 463 . 1 1 52 52 SER CA C 13 54.63 0.25 . 1 . . . . . . . . 5983 1 464 . 1 1 52 52 SER HA H 1 5.98 0.03 . 1 . . . . . . . . 5983 1 465 . 1 1 52 52 SER CB C 13 63.70 0.25 . 1 . . . . . . . . 5983 1 466 . 1 1 52 52 SER HB3 H 1 3.70 0.03 . 2 . . . . . . . . 5983 1 467 . 1 1 52 52 SER HB2 H 1 3.87 0.03 . 2 . . . . . . . . 5983 1 468 . 1 1 52 52 SER C C 13 172.45 0.25 . 1 . . . . . . . . 5983 1 469 . 1 1 53 53 ILE N N 15 131.89 0.15 . 1 . . . . . . . . 5983 1 470 . 1 1 53 53 ILE H H 1 9.40 0.03 . 1 . . . . . . . . 5983 1 471 . 1 1 53 53 ILE CA C 13 58.32 0.25 . 1 . . . . . . . . 5983 1 472 . 1 1 53 53 ILE HA H 1 3.80 0.03 . 1 . . . . . . . . 5983 1 473 . 1 1 53 53 ILE CB C 13 41.34 0.25 . 1 . . . . . . . . 5983 1 474 . 1 1 53 53 ILE HB H 1 1.81 0.03 . 1 . . . . . . . . 5983 1 475 . 1 1 53 53 ILE CG1 C 13 26.35 0.25 . 2 . . . . . . . . 5983 1 476 . 1 1 53 53 ILE HG13 H 1 1.17 0.03 . 1 . . . . . . . . 5983 1 477 . 1 1 53 53 ILE HG12 H 1 1.50 0.03 . 1 . . . . . . . . 5983 1 478 . 1 1 53 53 ILE CD1 C 13 13.08 0.25 . 1 . . . . . . . . 5983 1 479 . 1 1 53 53 ILE HD11 H 1 0.82 0.03 . 1 . . . . . . . . 5983 1 480 . 1 1 53 53 ILE HD12 H 1 0.82 0.03 . 1 . . . . . . . . 5983 1 481 . 1 1 53 53 ILE HD13 H 1 0.82 0.03 . 1 . . . . . . . . 5983 1 482 . 1 1 53 53 ILE CG2 C 13 17.89 0.25 . 1 . . . . . . . . 5983 1 483 . 1 1 53 53 ILE HG21 H 1 1.26 0.03 . 1 . . . . . . . . 5983 1 484 . 1 1 53 53 ILE HG22 H 1 1.26 0.03 . 1 . . . . . . . . 5983 1 485 . 1 1 53 53 ILE HG23 H 1 1.26 0.03 . 1 . . . . . . . . 5983 1 486 . 1 1 54 54 PHE N N 15 116.36 0.15 . 1 . . . . . . . . 5983 1 487 . 1 1 54 54 PHE H H 1 5.56 0.03 . 1 . . . . . . . . 5983 1 488 . 1 1 54 54 PHE CA C 13 53.20 0.25 . 1 . . . . . . . . 5983 1 489 . 1 1 54 54 PHE HA H 1 4.86 0.03 . 1 . . . . . . . . 5983 1 490 . 1 1 54 54 PHE CB C 13 39.70 0.25 . 1 . . . . . . . . 5983 1 491 . 1 1 54 54 PHE HB3 H 1 2.67 0.03 . 2 . . . . . . . . 5983 1 492 . 1 1 54 54 PHE HB2 H 1 2.60 0.03 . 2 . . . . . . . . 5983 1 493 . 1 1 54 54 PHE C C 13 172.22 0.25 . 1 . . . . . . . . 5983 1 494 . 1 1 55 55 LEU N N 15 121.95 0.15 . 1 . . . . . . . . 5983 1 495 . 1 1 55 55 LEU H H 1 9.80 0.03 . 1 . . . . . . . . 5983 1 496 . 1 1 55 55 LEU CA C 13 53.22 0.25 . 1 . . . . . . . . 5983 1 497 . 1 1 55 55 LEU HA H 1 4.86 0.03 . 1 . . . . . . . . 5983 1 498 . 1 1 55 55 LEU CB C 13 40.12 0.25 . 1 . . . . . . . . 5983 1 499 . 1 1 55 55 LEU HB3 H 1 2.34 0.03 . 2 . . . . . . . . 5983 1 500 . 1 1 55 55 LEU HB2 H 1 2.49 0.03 . 2 . . . . . . . . 5983 1 501 . 1 1 55 55 LEU CG C 13 28.29 0.25 . 1 . . . . . . . . 5983 1 502 . 1 1 55 55 LEU C C 13 176.73 0.25 . 1 . . . . . . . . 5983 1 503 . 1 1 56 56 SER N N 15 119.08 0.15 . 1 . . . . . . . . 5983 1 504 . 1 1 56 56 SER H H 1 8.01 0.03 . 1 . . . . . . . . 5983 1 505 . 1 1 56 56 SER CA C 13 61.45 0.25 . 1 . . . . . . . . 5983 1 506 . 1 1 56 56 SER HA H 1 4.17 0.03 . 1 . . . . . . . . 5983 1 507 . 1 1 56 56 SER CB C 13 62.76 0.25 . 1 . . . . . . . . 5983 1 508 . 1 1 56 56 SER HB2 H 1 4.14 0.03 . 2 . . . . . . . . 5983 1 509 . 1 1 56 56 SER C C 13 175.66 0.25 . 1 . . . . . . . . 5983 1 510 . 1 1 57 57 MET N N 15 124.88 0.15 . 1 . . . . . . . . 5983 1 511 . 1 1 57 57 MET H H 1 9.71 0.03 . 1 . . . . . . . . 5983 1 512 . 1 1 57 57 MET CA C 13 54.65 0.25 . 1 . . . . . . . . 5983 1 513 . 1 1 57 57 MET HA H 1 4.84 0.03 . 1 . . . . . . . . 5983 1 514 . 1 1 57 57 MET CB C 13 35.07 0.25 . 1 . . . . . . . . 5983 1 515 . 1 1 57 57 MET HB2 H 1 1.62 0.03 . 2 . . . . . . . . 5983 1 516 . 1 1 57 57 MET CG C 13 32.67 0.25 . 1 . . . . . . . . 5983 1 517 . 1 1 57 57 MET HG2 H 1 2.52 0.03 . 2 . . . . . . . . 5983 1 518 . 1 1 57 57 MET C C 13 176.97 0.25 . 1 . . . . . . . . 5983 1 519 . 1 1 58 58 GLN N N 15 118.08 0.15 . 1 . . . . . . . . 5983 1 520 . 1 1 58 58 GLN H H 1 8.58 0.03 . 1 . . . . . . . . 5983 1 521 . 1 1 58 58 GLN CA C 13 57.93 0.25 . 1 . . . . . . . . 5983 1 522 . 1 1 58 58 GLN HA H 1 3.98 0.03 . 1 . . . . . . . . 5983 1 523 . 1 1 58 58 GLN CB C 13 28.24 0.25 . 1 . . . . . . . . 5983 1 524 . 1 1 58 58 GLN HB2 H 1 2.00 0.03 . 2 . . . . . . . . 5983 1 525 . 1 1 58 58 GLN CG C 13 33.80 0.25 . 1 . . . . . . . . 5983 1 526 . 1 1 58 58 GLN HG3 H 1 2.50 0.03 . 2 . . . . . . . . 5983 1 527 . 1 1 58 58 GLN HG2 H 1 2.35 0.03 . 2 . . . . . . . . 5983 1 528 . 1 1 58 58 GLN C C 13 174.65 0.25 . 1 . . . . . . . . 5983 1 529 . 1 1 59 59 ASP N N 15 115.30 0.15 . 1 . . . . . . . . 5983 1 530 . 1 1 59 59 ASP H H 1 8.10 0.03 . 1 . . . . . . . . 5983 1 531 . 1 1 59 59 ASP CA C 13 51.80 0.25 . 1 . . . . . . . . 5983 1 532 . 1 1 59 59 ASP HA H 1 4.49 0.03 . 1 . . . . . . . . 5983 1 533 . 1 1 59 59 ASP CB C 13 39.05 0.25 . 1 . . . . . . . . 5983 1 534 . 1 1 59 59 ASP HB3 H 1 2.45 0.03 . 2 . . . . . . . . 5983 1 535 . 1 1 59 59 ASP HB2 H 1 2.29 0.03 . 2 . . . . . . . . 5983 1 536 . 1 1 59 59 ASP C C 13 173.21 0.25 . 1 . . . . . . . . 5983 1 537 . 1 1 60 60 GLU N N 15 115.34 0.15 . 1 . . . . . . . . 5983 1 538 . 1 1 60 60 GLU H H 1 7.38 0.03 . 1 . . . . . . . . 5983 1 539 . 1 1 60 60 GLU CA C 13 53.78 0.25 . 1 . . . . . . . . 5983 1 540 . 1 1 60 60 GLU HA H 1 4.53 0.03 . 1 . . . . . . . . 5983 1 541 . 1 1 60 60 GLU CB C 13 34.60 0.25 . 1 . . . . . . . . 5983 1 542 . 1 1 60 60 GLU HB3 H 1 1.52 0.03 . 2 . . . . . . . . 5983 1 543 . 1 1 60 60 GLU HB2 H 1 1.78 0.03 . 2 . . . . . . . . 5983 1 544 . 1 1 60 60 GLU CG C 13 38.91 0.25 . 1 . . . . . . . . 5983 1 545 . 1 1 60 60 GLU HG2 H 1 1.99 0.03 . 2 . . . . . . . . 5983 1 546 . 1 1 60 60 GLU C C 13 175.87 0.25 . 1 . . . . . . . . 5983 1 547 . 1 1 61 61 ILE N N 15 124.09 0.15 . 1 . . . . . . . . 5983 1 548 . 1 1 61 61 ILE H H 1 7.94 0.03 . 1 . . . . . . . . 5983 1 549 . 1 1 61 61 ILE CA C 13 58.87 0.25 . 1 . . . . . . . . 5983 1 550 . 1 1 61 61 ILE HA H 1 3.16 0.03 . 1 . . . . . . . . 5983 1 551 . 1 1 61 61 ILE CB C 13 36.44 0.25 . 1 . . . . . . . . 5983 1 552 . 1 1 61 61 ILE HB H 1 1.35 0.03 . 1 . . . . . . . . 5983 1 553 . 1 1 61 61 ILE CG1 C 13 25.15 0.25 . 2 . . . . . . . . 5983 1 554 . 1 1 61 61 ILE CD1 C 13 11.24 0.25 . 1 . . . . . . . . 5983 1 555 . 1 1 61 61 ILE HD11 H 1 0.11 0.03 . 1 . . . . . . . . 5983 1 556 . 1 1 61 61 ILE HD12 H 1 0.11 0.03 . 1 . . . . . . . . 5983 1 557 . 1 1 61 61 ILE HD13 H 1 0.11 0.03 . 1 . . . . . . . . 5983 1 558 . 1 1 61 61 ILE CG2 C 13 16.74 0.25 . 1 . . . . . . . . 5983 1 559 . 1 1 61 61 ILE HG21 H 1 0.41 0.03 . 1 . . . . . . . . 5983 1 560 . 1 1 61 61 ILE HG22 H 1 0.41 0.03 . 1 . . . . . . . . 5983 1 561 . 1 1 61 61 ILE HG23 H 1 0.41 0.03 . 1 . . . . . . . . 5983 1 562 . 1 1 61 61 ILE C C 13 175.32 0.25 . 1 . . . . . . . . 5983 1 563 . 1 1 62 62 GLU N N 15 127.23 0.15 . 1 . . . . . . . . 5983 1 564 . 1 1 62 62 GLU H H 1 8.51 0.03 . 1 . . . . . . . . 5983 1 565 . 1 1 62 62 GLU CA C 13 55.39 0.25 . 1 . . . . . . . . 5983 1 566 . 1 1 62 62 GLU HA H 1 4.20 0.03 . 1 . . . . . . . . 5983 1 567 . 1 1 62 62 GLU CB C 13 29.48 0.25 . 1 . . . . . . . . 5983 1 568 . 1 1 62 62 GLU HB3 H 1 1.90 0.03 . 2 . . . . . . . . 5983 1 569 . 1 1 62 62 GLU HB2 H 1 2.02 0.03 . 2 . . . . . . . . 5983 1 570 . 1 1 62 62 GLU CG C 13 35.70 0.25 . 1 . . . . . . . . 5983 1 571 . 1 1 62 62 GLU HG3 H 1 2.24 0.03 . 2 . . . . . . . . 5983 1 572 . 1 1 62 62 GLU HG2 H 1 2.15 0.03 . 2 . . . . . . . . 5983 1 573 . 1 1 62 62 GLU C C 13 176.75 0.25 . 1 . . . . . . . . 5983 1 574 . 1 1 63 63 THR N N 15 118.38 0.15 . 1 . . . . . . . . 5983 1 575 . 1 1 63 63 THR H H 1 8.42 0.03 . 1 . . . . . . . . 5983 1 576 . 1 1 63 63 THR CA C 13 61.45 0.25 . 1 . . . . . . . . 5983 1 577 . 1 1 63 63 THR HA H 1 3.75 0.03 . 1 . . . . . . . . 5983 1 578 . 1 1 63 63 THR CB C 13 69.84 0.25 . 1 . . . . . . . . 5983 1 579 . 1 1 63 63 THR HB H 1 4.02 0.03 . 1 . . . . . . . . 5983 1 580 . 1 1 63 63 THR CG2 C 13 20.96 0.25 . 1 . . . . . . . . 5983 1 581 . 1 1 63 63 THR HG21 H 1 0.08 0.03 . 1 . . . . . . . . 5983 1 582 . 1 1 63 63 THR HG22 H 1 0.08 0.03 . 1 . . . . . . . . 5983 1 583 . 1 1 63 63 THR HG23 H 1 0.08 0.03 . 1 . . . . . . . . 5983 1 584 . 1 1 63 63 THR C C 13 176.26 0.25 . 1 . . . . . . . . 5983 1 585 . 1 1 64 64 GLU N N 15 125.13 0.15 . 1 . . . . . . . . 5983 1 586 . 1 1 64 64 GLU H H 1 9.53 0.03 . 1 . . . . . . . . 5983 1 587 . 1 1 64 64 GLU CA C 13 61.24 0.25 . 1 . . . . . . . . 5983 1 588 . 1 1 64 64 GLU HA H 1 3.90 0.03 . 1 . . . . . . . . 5983 1 589 . 1 1 64 64 GLU CB C 13 29.03 0.25 . 1 . . . . . . . . 5983 1 590 . 1 1 64 64 GLU HB2 H 1 2.06 0.03 . 2 . . . . . . . . 5983 1 591 . 1 1 64 64 GLU CG C 13 34.03 0.25 . 1 . . . . . . . . 5983 1 592 . 1 1 64 64 GLU HG2 H 1 2.31 0.03 . 2 . . . . . . . . 5983 1 593 . 1 1 64 64 GLU C C 13 176.91 0.25 . 1 . . . . . . . . 5983 1 594 . 1 1 65 65 GLU N N 15 117.33 0.15 . 1 . . . . . . . . 5983 1 595 . 1 1 65 65 GLU H H 1 8.73 0.03 . 1 . . . . . . . . 5983 1 596 . 1 1 65 65 GLU CA C 13 59.48 0.25 . 1 . . . . . . . . 5983 1 597 . 1 1 65 65 GLU HA H 1 3.93 0.03 . 1 . . . . . . . . 5983 1 598 . 1 1 65 65 GLU CB C 13 29.04 0.25 . 1 . . . . . . . . 5983 1 599 . 1 1 65 65 GLU HB3 H 1 2.53 0.03 . 2 . . . . . . . . 5983 1 600 . 1 1 65 65 GLU HB2 H 1 2.74 0.03 . 2 . . . . . . . . 5983 1 601 . 1 1 65 65 GLU CG C 13 36.20 0.25 . 1 . . . . . . . . 5983 1 602 . 1 1 65 65 GLU HG3 H 1 2.04 0.03 . 2 . . . . . . . . 5983 1 603 . 1 1 65 65 GLU HG2 H 1 2.24 0.03 . 2 . . . . . . . . 5983 1 604 . 1 1 65 65 GLU C C 13 179.22 0.25 . 1 . . . . . . . . 5983 1 605 . 1 1 66 66 ILE N N 15 121.06 0.15 . 1 . . . . . . . . 5983 1 606 . 1 1 66 66 ILE H H 1 7.44 0.03 . 1 . . . . . . . . 5983 1 607 . 1 1 66 66 ILE CA C 13 64.60 0.25 . 1 . . . . . . . . 5983 1 608 . 1 1 66 66 ILE HA H 1 3.24 0.03 . 1 . . . . . . . . 5983 1 609 . 1 1 66 66 ILE CB C 13 37.90 0.25 . 1 . . . . . . . . 5983 1 610 . 1 1 66 66 ILE HB H 1 1.36 0.03 . 1 . . . . . . . . 5983 1 611 . 1 1 66 66 ILE CG1 C 13 28.26 0.25 . 2 . . . . . . . . 5983 1 612 . 1 1 66 66 ILE HG12 H 1 0.30 0.03 . 1 . . . . . . . . 5983 1 613 . 1 1 66 66 ILE CD1 C 13 14.60 0.25 . 1 . . . . . . . . 5983 1 614 . 1 1 66 66 ILE HD11 H 1 0.29 0.03 . 1 . . . . . . . . 5983 1 615 . 1 1 66 66 ILE HD12 H 1 0.29 0.03 . 1 . . . . . . . . 5983 1 616 . 1 1 66 66 ILE HD13 H 1 0.29 0.03 . 1 . . . . . . . . 5983 1 617 . 1 1 66 66 ILE CG2 C 13 17.51 0.25 . 1 . . . . . . . . 5983 1 618 . 1 1 66 66 ILE HG21 H 1 0.30 0.03 . 1 . . . . . . . . 5983 1 619 . 1 1 66 66 ILE HG22 H 1 0.30 0.03 . 1 . . . . . . . . 5983 1 620 . 1 1 66 66 ILE HG23 H 1 0.30 0.03 . 1 . . . . . . . . 5983 1 621 . 1 1 66 66 ILE C C 13 176.40 0.25 . 1 . . . . . . . . 5983 1 622 . 1 1 67 67 ILE N N 15 119.70 0.15 . 1 . . . . . . . . 5983 1 623 . 1 1 67 67 ILE H H 1 7.91 0.03 . 1 . . . . . . . . 5983 1 624 . 1 1 67 67 ILE CA C 13 66.25 0.25 . 1 . . . . . . . . 5983 1 625 . 1 1 67 67 ILE HA H 1 3.30 0.03 . 1 . . . . . . . . 5983 1 626 . 1 1 67 67 ILE CB C 13 37.67 0.25 . 1 . . . . . . . . 5983 1 627 . 1 1 67 67 ILE HB H 1 1.77 0.03 . 1 . . . . . . . . 5983 1 628 . 1 1 67 67 ILE CG1 C 13 30.27 0.25 . 2 . . . . . . . . 5983 1 629 . 1 1 67 67 ILE HG12 H 1 1.64 0.03 . 1 . . . . . . . . 5983 1 630 . 1 1 67 67 ILE CD1 C 13 13.87 0.25 . 1 . . . . . . . . 5983 1 631 . 1 1 67 67 ILE HD11 H 1 0.95 0.03 . 1 . . . . . . . . 5983 1 632 . 1 1 67 67 ILE HD12 H 1 0.95 0.03 . 1 . . . . . . . . 5983 1 633 . 1 1 67 67 ILE HD13 H 1 0.95 0.03 . 1 . . . . . . . . 5983 1 634 . 1 1 67 67 ILE CG2 C 13 18.32 0.25 . 1 . . . . . . . . 5983 1 635 . 1 1 67 67 ILE HG21 H 1 0.50 0.03 . 1 . . . . . . . . 5983 1 636 . 1 1 67 67 ILE HG22 H 1 0.50 0.03 . 1 . . . . . . . . 5983 1 637 . 1 1 67 67 ILE HG23 H 1 0.50 0.03 . 1 . . . . . . . . 5983 1 638 . 1 1 67 67 ILE C C 13 176.77 0.25 . 1 . . . . . . . . 5983 1 639 . 1 1 68 68 LYS N N 15 116.59 0.15 . 1 . . . . . . . . 5983 1 640 . 1 1 68 68 LYS H H 1 7.76 0.03 . 1 . . . . . . . . 5983 1 641 . 1 1 68 68 LYS CA C 13 60.30 0.25 . 1 . . . . . . . . 5983 1 642 . 1 1 68 68 LYS HA H 1 3.84 0.03 . 1 . . . . . . . . 5983 1 643 . 1 1 68 68 LYS CB C 13 32.10 0.25 . 1 . . . . . . . . 5983 1 644 . 1 1 68 68 LYS HB2 H 1 1.77 0.03 . 2 . . . . . . . . 5983 1 645 . 1 1 68 68 LYS CG C 13 25.60 0.25 . 1 . . . . . . . . 5983 1 646 . 1 1 68 68 LYS C C 13 178.54 0.25 . 1 . . . . . . . . 5983 1 647 . 1 1 69 69 ASP N N 15 121.77 0.15 . 1 . . . . . . . . 5983 1 648 . 1 1 69 69 ASP H H 1 7.44 0.03 . 1 . . . . . . . . 5983 1 649 . 1 1 69 69 ASP CA C 13 58.69 0.25 . 1 . . . . . . . . 5983 1 650 . 1 1 69 69 ASP HA H 1 4.16 0.03 . 1 . . . . . . . . 5983 1 651 . 1 1 69 69 ASP CB C 13 42.57 0.25 . 1 . . . . . . . . 5983 1 652 . 1 1 69 69 ASP HB2 H 1 2.40 0.03 . 2 . . . . . . . . 5983 1 653 . 1 1 69 69 ASP C C 13 176.05 0.25 . 1 . . . . . . . . 5983 1 654 . 1 1 70 70 ILE N N 15 121.65 0.15 . 1 . . . . . . . . 5983 1 655 . 1 1 70 70 ILE H H 1 8.76 0.03 . 1 . . . . . . . . 5983 1 656 . 1 1 70 70 ILE CA C 13 65.80 0.25 . 1 . . . . . . . . 5983 1 657 . 1 1 70 70 ILE HA H 1 3.31 0.03 . 1 . . . . . . . . 5983 1 658 . 1 1 70 70 ILE CB C 13 37.76 0.25 . 1 . . . . . . . . 5983 1 659 . 1 1 70 70 ILE HB H 1 1.79 0.03 . 1 . . . . . . . . 5983 1 660 . 1 1 70 70 ILE CG1 C 13 29.90 0.25 . 2 . . . . . . . . 5983 1 661 . 1 1 70 70 ILE HG12 H 1 0.88 0.03 . 1 . . . . . . . . 5983 1 662 . 1 1 70 70 ILE CD1 C 13 13.76 0.25 . 1 . . . . . . . . 5983 1 663 . 1 1 70 70 ILE HD11 H 1 0.87 0.03 . 1 . . . . . . . . 5983 1 664 . 1 1 70 70 ILE HD12 H 1 0.87 0.03 . 1 . . . . . . . . 5983 1 665 . 1 1 70 70 ILE HD13 H 1 0.87 0.03 . 1 . . . . . . . . 5983 1 666 . 1 1 70 70 ILE CG2 C 13 17.69 0.25 . 1 . . . . . . . . 5983 1 667 . 1 1 70 70 ILE HG21 H 1 0.30 0.03 . 1 . . . . . . . . 5983 1 668 . 1 1 70 70 ILE HG22 H 1 0.30 0.03 . 1 . . . . . . . . 5983 1 669 . 1 1 70 70 ILE HG23 H 1 0.30 0.03 . 1 . . . . . . . . 5983 1 670 . 1 1 70 70 ILE C C 13 177.60 0.25 . 1 . . . . . . . . 5983 1 671 . 1 1 71 71 PHE N N 15 114.70 0.15 . 1 . . . . . . . . 5983 1 672 . 1 1 71 71 PHE H H 1 7.47 0.03 . 1 . . . . . . . . 5983 1 673 . 1 1 71 71 PHE CA C 13 62.27 0.25 . 1 . . . . . . . . 5983 1 674 . 1 1 71 71 PHE HA H 1 4.13 0.03 . 1 . . . . . . . . 5983 1 675 . 1 1 71 71 PHE CB C 13 38.80 0.25 . 1 . . . . . . . . 5983 1 676 . 1 1 71 71 PHE HB3 H 1 2.94 0.03 . 2 . . . . . . . . 5983 1 677 . 1 1 71 71 PHE HB2 H 1 3.33 0.03 . 2 . . . . . . . . 5983 1 678 . 1 1 71 71 PHE C C 13 179.96 0.25 . 1 . . . . . . . . 5983 1 679 . 1 1 72 72 GLN N N 15 122.94 0.15 . 1 . . . . . . . . 5983 1 680 . 1 1 72 72 GLN H H 1 8.35 0.03 . 1 . . . . . . . . 5983 1 681 . 1 1 72 72 GLN CA C 13 58.83 0.25 . 1 . . . . . . . . 5983 1 682 . 1 1 72 72 GLN HA H 1 4.04 0.03 . 1 . . . . . . . . 5983 1 683 . 1 1 72 72 GLN CB C 13 28.11 0.25 . 1 . . . . . . . . 5983 1 684 . 1 1 72 72 GLN HB3 H 1 2.26 0.03 . 2 . . . . . . . . 5983 1 685 . 1 1 72 72 GLN HB2 H 1 2.09 0.03 . 2 . . . . . . . . 5983 1 686 . 1 1 72 72 GLN CG C 13 33.80 0.25 . 1 . . . . . . . . 5983 1 687 . 1 1 72 72 GLN HG3 H 1 2.50 0.03 . 2 . . . . . . . . 5983 1 688 . 1 1 72 72 GLN HG2 H 1 2.35 0.03 . 2 . . . . . . . . 5983 1 689 . 1 1 72 72 GLN C C 13 177.73 0.25 . 1 . . . . . . . . 5983 1 690 . 1 1 73 73 ARG N N 15 115.50 0.15 . 1 . . . . . . . . 5983 1 691 . 1 1 73 73 ARG H H 1 8.16 0.03 . 1 . . . . . . . . 5983 1 692 . 1 1 73 73 ARG CA C 13 55.94 0.25 . 1 . . . . . . . . 5983 1 693 . 1 1 73 73 ARG HA H 1 4.21 0.03 . 1 . . . . . . . . 5983 1 694 . 1 1 73 73 ARG CB C 13 30.42 0.25 . 1 . . . . . . . . 5983 1 695 . 1 1 73 73 ARG HB3 H 1 1.65 0.03 . 2 . . . . . . . . 5983 1 696 . 1 1 73 73 ARG HB2 H 1 1.95 0.03 . 2 . . . . . . . . 5983 1 697 . 1 1 73 73 ARG CG C 13 27.26 0.25 . 1 . . . . . . . . 5983 1 698 . 1 1 73 73 ARG HG2 H 1 1.60 0.03 . 2 . . . . . . . . 5983 1 699 . 1 1 73 73 ARG CD C 13 43.28 0.25 . 1 . . . . . . . . 5983 1 700 . 1 1 73 73 ARG HD2 H 1 3.07 0.03 . 2 . . . . . . . . 5983 1 701 . 1 1 73 73 ARG C C 13 176.30 0.25 . 1 . . . . . . . . 5983 1 702 . 1 1 74 74 GLY N N 15 108.52 0.15 . 1 . . . . . . . . 5983 1 703 . 1 1 74 74 GLY H H 1 7.82 0.03 . 1 . . . . . . . . 5983 1 704 . 1 1 74 74 GLY CA C 13 46.24 0.25 . 1 . . . . . . . . 5983 1 705 . 1 1 74 74 GLY HA3 H 1 3.76 0.03 . 2 . . . . . . . . 5983 1 706 . 1 1 74 74 GLY HA2 H 1 3.90 0.03 . 2 . . . . . . . . 5983 1 707 . 1 1 74 74 GLY C C 13 174.60 0.25 . 1 . . . . . . . . 5983 1 708 . 1 1 75 75 LYS N N 15 119.63 0.15 . 1 . . . . . . . . 5983 1 709 . 1 1 75 75 LYS H H 1 7.74 0.03 . 1 . . . . . . . . 5983 1 710 . 1 1 75 75 LYS CA C 13 55.76 0.25 . 1 . . . . . . . . 5983 1 711 . 1 1 75 75 LYS HA H 1 4.28 0.03 . 1 . . . . . . . . 5983 1 712 . 1 1 75 75 LYS CB C 13 33.52 0.25 . 1 . . . . . . . . 5983 1 713 . 1 1 75 75 LYS HB2 H 1 1.73 0.03 . 2 . . . . . . . . 5983 1 714 . 1 1 75 75 LYS C C 13 172.43 0.25 . 1 . . . . . . . . 5983 1 715 . 1 1 76 76 ILE N N 15 120.53 0.15 . 1 . . . . . . . . 5983 1 716 . 1 1 76 76 ILE H H 1 8.64 0.03 . 1 . . . . . . . . 5983 1 717 . 1 1 76 76 ILE CA C 13 60.57 0.25 . 1 . . . . . . . . 5983 1 718 . 1 1 76 76 ILE HA H 1 3.64 0.03 . 1 . . . . . . . . 5983 1 719 . 1 1 76 76 ILE CB C 13 37.60 0.25 . 1 . . . . . . . . 5983 1 720 . 1 1 76 76 ILE HB H 1 1.79 0.03 . 1 . . . . . . . . 5983 1 721 . 1 1 76 76 ILE CG1 C 13 27.40 0.25 . 2 . . . . . . . . 5983 1 722 . 1 1 76 76 ILE HG13 H 1 1.07 0.03 . 1 . . . . . . . . 5983 1 723 . 1 1 76 76 ILE HG12 H 1 1.37 0.03 . 1 . . . . . . . . 5983 1 724 . 1 1 76 76 ILE CD1 C 13 11.60 0.25 . 1 . . . . . . . . 5983 1 725 . 1 1 76 76 ILE HD11 H 1 0.70 0.03 . 1 . . . . . . . . 5983 1 726 . 1 1 76 76 ILE HD12 H 1 0.70 0.03 . 1 . . . . . . . . 5983 1 727 . 1 1 76 76 ILE HD13 H 1 0.70 0.03 . 1 . . . . . . . . 5983 1 728 . 1 1 76 76 ILE CG2 C 13 17.93 0.25 . 1 . . . . . . . . 5983 1 729 . 1 1 76 76 ILE HG21 H 1 0.82 0.03 . 1 . . . . . . . . 5983 1 730 . 1 1 76 76 ILE HG22 H 1 0.82 0.03 . 1 . . . . . . . . 5983 1 731 . 1 1 76 76 ILE HG23 H 1 0.82 0.03 . 1 . . . . . . . . 5983 1 732 . 1 1 76 76 ILE C C 13 172.90 0.25 . 1 . . . . . . . . 5983 1 733 . 1 1 77 77 CYS N N 15 128.51 0.15 . 1 . . . . . . . . 5983 1 734 . 1 1 77 77 CYS H H 1 8.34 0.03 . 1 . . . . . . . . 5983 1 735 . 1 1 77 77 CYS CA C 13 58.78 0.25 . 1 . . . . . . . . 5983 1 736 . 1 1 77 77 CYS HA H 1 4.53 0.03 . 1 . . . . . . . . 5983 1 737 . 1 1 77 77 CYS CB C 13 30.30 0.25 . 1 . . . . . . . . 5983 1 738 . 1 1 77 77 CYS HB2 H 1 2.65 0.03 . 2 . . . . . . . . 5983 1 739 . 1 1 77 77 CYS C C 13 171.19 0.25 . 1 . . . . . . . . 5983 1 740 . 1 1 78 78 PHE N N 15 126.78 0.15 . 1 . . . . . . . . 5983 1 741 . 1 1 78 78 PHE H H 1 9.28 0.03 . 1 . . . . . . . . 5983 1 742 . 1 1 78 78 PHE CA C 13 56.00 0.25 . 1 . . . . . . . . 5983 1 743 . 1 1 78 78 PHE HA H 1 5.04 0.03 . 1 . . . . . . . . 5983 1 744 . 1 1 78 78 PHE CB C 13 42.30 0.25 . 1 . . . . . . . . 5983 1 745 . 1 1 78 78 PHE HB3 H 1 2.55 0.03 . 2 . . . . . . . . 5983 1 746 . 1 1 78 78 PHE HB2 H 1 2.48 0.03 . 2 . . . . . . . . 5983 1 747 . 1 1 78 78 PHE C C 13 174.00 0.25 . 1 . . . . . . . . 5983 1 748 . 1 1 79 79 ILE N N 15 113.78 0.15 . 1 . . . . . . . . 5983 1 749 . 1 1 79 79 ILE H H 1 9.08 0.03 . 1 . . . . . . . . 5983 1 750 . 1 1 79 79 ILE CA C 13 57.15 0.25 . 1 . . . . . . . . 5983 1 751 . 1 1 79 79 ILE HA H 1 5.75 0.03 . 1 . . . . . . . . 5983 1 752 . 1 1 79 79 ILE CB C 13 39.50 0.25 . 1 . . . . . . . . 5983 1 753 . 1 1 79 79 ILE HB H 1 2.07 0.03 . 1 . . . . . . . . 5983 1 754 . 1 1 79 79 ILE CG1 C 13 25.15 0.25 . 2 . . . . . . . . 5983 1 755 . 1 1 79 79 ILE HG12 H 1 1.38 0.03 . 1 . . . . . . . . 5983 1 756 . 1 1 79 79 ILE CD1 C 13 12.75 0.25 . 1 . . . . . . . . 5983 1 757 . 1 1 79 79 ILE HD11 H 1 0.75 0.03 . 1 . . . . . . . . 5983 1 758 . 1 1 79 79 ILE HD12 H 1 0.75 0.03 . 1 . . . . . . . . 5983 1 759 . 1 1 79 79 ILE HD13 H 1 0.75 0.03 . 1 . . . . . . . . 5983 1 760 . 1 1 79 79 ILE CG2 C 13 16.84 0.25 . 1 . . . . . . . . 5983 1 761 . 1 1 79 79 ILE HG21 H 1 0.87 0.03 . 1 . . . . . . . . 5983 1 762 . 1 1 79 79 ILE HG22 H 1 0.87 0.03 . 1 . . . . . . . . 5983 1 763 . 1 1 79 79 ILE HG23 H 1 0.87 0.03 . 1 . . . . . . . . 5983 1 764 . 1 1 79 79 ILE C C 13 173.01 0.25 . 1 . . . . . . . . 5983 1 765 . 1 1 81 81 ARG N N 15 128.20 0.15 . 1 . . . . . . . . 5983 1 766 . 1 1 81 81 ARG H H 1 9.84 0.03 . 1 . . . . . . . . 5983 1 767 . 1 1 81 81 ARG CA C 13 52.88 0.25 . 1 . . . . . . . . 5983 1 768 . 1 1 81 81 ARG HA H 1 5.09 0.03 . 1 . . . . . . . . 5983 1 769 . 1 1 81 81 ARG CB C 13 32.51 0.25 . 1 . . . . . . . . 5983 1 770 . 1 1 81 81 ARG C C 13 174.68 0.25 . 1 . . . . . . . . 5983 1 771 . 1 1 82 82 TYR N N 15 117.01 0.15 . 1 . . . . . . . . 5983 1 772 . 1 1 82 82 TYR H H 1 9.71 0.03 . 1 . . . . . . . . 5983 1 773 . 1 1 82 82 TYR CA C 13 58.39 0.25 . 1 . . . . . . . . 5983 1 774 . 1 1 82 82 TYR HA H 1 5.51 0.03 . 1 . . . . . . . . 5983 1 775 . 1 1 82 82 TYR CB C 13 34.61 0.25 . 1 . . . . . . . . 5983 1 776 . 1 1 82 82 TYR HB2 H 1 1.88 0.03 . 2 . . . . . . . . 5983 1 777 . 1 1 82 82 TYR C C 13 175.30 0.25 . 1 . . . . . . . . 5983 1 778 . 1 1 83 83 ARG N N 15 124.91 0.15 . 1 . . . . . . . . 5983 1 779 . 1 1 83 83 ARG H H 1 8.54 0.03 . 1 . . . . . . . . 5983 1 780 . 1 1 83 83 ARG CA C 13 56.70 0.25 . 1 . . . . . . . . 5983 1 781 . 1 1 83 83 ARG HA H 1 4.05 0.03 . 1 . . . . . . . . 5983 1 782 . 1 1 83 83 ARG CB C 13 32.01 0.25 . 1 . . . . . . . . 5983 1 783 . 1 1 83 83 ARG HB3 H 1 1.77 0.03 . 2 . . . . . . . . 5983 1 784 . 1 1 83 83 ARG C C 13 176.45 0.25 . 1 . . . . . . . . 5983 1 785 . 1 1 84 84 PHE N N 15 121.53 0.15 . 1 . . . . . . . . 5983 1 786 . 1 1 84 84 PHE H H 1 8.08 0.03 . 1 . . . . . . . . 5983 1 787 . 1 1 84 84 PHE CA C 13 58.64 0.25 . 1 . . . . . . . . 5983 1 788 . 1 1 84 84 PHE HA H 1 4.46 0.03 . 1 . . . . . . . . 5983 1 789 . 1 1 84 84 PHE CB C 13 40.82 0.25 . 1 . . . . . . . . 5983 1 790 . 1 1 84 84 PHE C C 13 175.10 0.25 . 1 . . . . . . . . 5983 1 791 . 1 1 85 85 GLN N N 15 121.89 0.15 . 1 . . . . . . . . 5983 1 792 . 1 1 85 85 GLN H H 1 9.27 0.03 . 1 . . . . . . . . 5983 1 793 . 1 1 85 85 GLN CA C 13 57.34 0.25 . 1 . . . . . . . . 5983 1 794 . 1 1 85 85 GLN HA H 1 4.24 0.03 . 1 . . . . . . . . 5983 1 795 . 1 1 85 85 GLN CB C 13 31.11 0.25 . 1 . . . . . . . . 5983 1 796 . 1 1 85 85 GLN HB3 H 1 2.02 0.03 . 2 . . . . . . . . 5983 1 797 . 1 1 85 85 GLN HB2 H 1 1.83 0.03 . 2 . . . . . . . . 5983 1 798 . 1 1 85 85 GLN CG C 13 33.19 0.25 . 1 . . . . . . . . 5983 1 799 . 1 1 85 85 GLN HG2 H 1 2.04 0.03 . 2 . . . . . . . . 5983 1 800 . 1 1 85 85 GLN C C 13 175.60 0.25 . 1 . . . . . . . . 5983 1 801 . 1 1 86 86 SER N N 15 112.50 0.15 . 1 . . . . . . . . 5983 1 802 . 1 1 86 86 SER H H 1 7.35 0.03 . 1 . . . . . . . . 5983 1 803 . 1 1 86 86 SER CA C 13 55.40 0.25 . 1 . . . . . . . . 5983 1 804 . 1 1 86 86 SER HA H 1 3.58 0.03 . 1 . . . . . . . . 5983 1 805 . 1 1 86 86 SER CB C 13 63.30 0.25 . 1 . . . . . . . . 5983 1 806 . 1 1 86 86 SER HB2 H 1 3.79 0.03 . 2 . . . . . . . . 5983 1 807 . 1 1 86 86 SER C C 13 172.33 0.25 . 1 . . . . . . . . 5983 1 808 . 1 1 87 87 ASN N N 15 118.14 0.15 . 1 . . . . . . . . 5983 1 809 . 1 1 87 87 ASN H H 1 8.41 0.03 . 1 . . . . . . . . 5983 1 810 . 1 1 87 87 ASN CA C 13 56.04 0.25 . 1 . . . . . . . . 5983 1 811 . 1 1 87 87 ASN HA H 1 4.82 0.03 . 1 . . . . . . . . 5983 1 812 . 1 1 87 87 ASN CB C 13 40.07 0.25 . 1 . . . . . . . . 5983 1 813 . 1 1 87 87 ASN HB3 H 1 2.58 0.03 . 2 . . . . . . . . 5983 1 814 . 1 1 87 87 ASN HB2 H 1 2.45 0.03 . 2 . . . . . . . . 5983 1 815 . 1 1 87 87 ASN C C 13 173.31 0.25 . 1 . . . . . . . . 5983 1 816 . 1 1 88 88 HIS N N 15 122.23 0.15 . 1 . . . . . . . . 5983 1 817 . 1 1 88 88 HIS H H 1 8.44 0.03 . 1 . . . . . . . . 5983 1 818 . 1 1 88 88 HIS CA C 13 58.03 0.25 . 1 . . . . . . . . 5983 1 819 . 1 1 88 88 HIS HA H 1 4.23 0.03 . 1 . . . . . . . . 5983 1 820 . 1 1 88 88 HIS CB C 13 32.01 0.25 . 1 . . . . . . . . 5983 1 821 . 1 1 88 88 HIS HB2 H 1 2.96 0.03 . 2 . . . . . . . . 5983 1 822 . 1 1 88 88 HIS C C 13 172.40 0.25 . 1 . . . . . . . . 5983 1 823 . 1 1 89 89 MET N N 15 126.08 0.15 . 1 . . . . . . . . 5983 1 824 . 1 1 89 89 MET H H 1 7.26 0.03 . 1 . . . . . . . . 5983 1 825 . 1 1 89 89 MET CA C 13 54.11 0.25 . 1 . . . . . . . . 5983 1 826 . 1 1 89 89 MET HA H 1 4.78 0.03 . 1 . . . . . . . . 5983 1 827 . 1 1 89 89 MET CB C 13 37.06 0.25 . 1 . . . . . . . . 5983 1 828 . 1 1 89 89 MET HB2 H 1 1.63 0.03 . 2 . . . . . . . . 5983 1 829 . 1 1 89 89 MET CG C 13 31.28 0.25 . 1 . . . . . . . . 5983 1 830 . 1 1 89 89 MET HG3 H 1 1.83 0.03 . 2 . . . . . . . . 5983 1 831 . 1 1 89 89 MET HG2 H 1 1.97 0.03 . 2 . . . . . . . . 5983 1 832 . 1 1 89 89 MET CE C 13 20.90 0.25 . 1 . . . . . . . . 5983 1 833 . 1 1 89 89 MET HE1 H 1 0.90 0.03 . 1 . . . . . . . . 5983 1 834 . 1 1 89 89 MET HE2 H 1 0.90 0.03 . 1 . . . . . . . . 5983 1 835 . 1 1 89 89 MET HE3 H 1 0.90 0.03 . 1 . . . . . . . . 5983 1 836 . 1 1 89 89 MET C C 13 170.70 0.25 . 1 . . . . . . . . 5983 1 837 . 1 1 90 90 ASP N N 15 120.71 0.15 . 1 . . . . . . . . 5983 1 838 . 1 1 90 90 ASP H H 1 8.34 0.03 . 1 . . . . . . . . 5983 1 839 . 1 1 90 90 ASP CA C 13 52.24 0.25 . 1 . . . . . . . . 5983 1 840 . 1 1 90 90 ASP HA H 1 5.07 0.03 . 1 . . . . . . . . 5983 1 841 . 1 1 90 90 ASP CB C 13 45.96 0.25 . 1 . . . . . . . . 5983 1 842 . 1 1 90 90 ASP HB2 H 1 2.73 0.03 . 2 . . . . . . . . 5983 1 843 . 1 1 90 90 ASP C C 13 173.49 0.25 . 1 . . . . . . . . 5983 1 844 . 1 1 91 91 MET N N 15 120.24 0.15 . 1 . . . . . . . . 5983 1 845 . 1 1 91 91 MET H H 1 9.86 0.03 . 1 . . . . . . . . 5983 1 846 . 1 1 91 91 MET CA C 13 51.96 0.25 . 1 . . . . . . . . 5983 1 847 . 1 1 91 91 MET HA H 1 4.22 0.03 . 1 . . . . . . . . 5983 1 848 . 1 1 91 91 MET CB C 13 37.30 0.25 . 1 . . . . . . . . 5983 1 849 . 1 1 91 91 MET HB3 H 1 2.42 0.03 . 2 . . . . . . . . 5983 1 850 . 1 1 91 91 MET HB2 H 1 2.52 0.03 . 2 . . . . . . . . 5983 1 851 . 1 1 91 91 MET C C 13 174.38 0.25 . 1 . . . . . . . . 5983 1 852 . 1 1 92 92 VAL N N 15 119.78 0.15 . 1 . . . . . . . . 5983 1 853 . 1 1 92 92 VAL H H 1 8.34 0.03 . 1 . . . . . . . . 5983 1 854 . 1 1 92 92 VAL CA C 13 62.79 0.25 . 1 . . . . . . . . 5983 1 855 . 1 1 92 92 VAL HA H 1 4.90 0.03 . 1 . . . . . . . . 5983 1 856 . 1 1 92 92 VAL CB C 13 32.69 0.25 . 1 . . . . . . . . 5983 1 857 . 1 1 92 92 VAL HB H 1 2.19 0.03 . 1 . . . . . . . . 5983 1 858 . 1 1 92 92 VAL CG1 C 13 21.05 0.25 . 1 . . . . . . . . 5983 1 859 . 1 1 92 92 VAL HG11 H 1 0.43 0.03 . 2 . . . . . . . . 5983 1 860 . 1 1 92 92 VAL HG12 H 1 0.43 0.03 . 2 . . . . . . . . 5983 1 861 . 1 1 92 92 VAL HG13 H 1 0.43 0.03 . 2 . . . . . . . . 5983 1 862 . 1 1 92 92 VAL C C 13 176.97 0.25 . 1 . . . . . . . . 5983 1 863 . 1 1 93 93 ARG N N 15 119.78 0.15 . 1 . . . . . . . . 5983 1 864 . 1 1 93 93 ARG H H 1 8.67 0.03 . 1 . . . . . . . . 5983 1 865 . 1 1 93 93 ARG CA C 13 54.90 0.25 . 1 . . . . . . . . 5983 1 866 . 1 1 93 93 ARG HA H 1 4.58 0.03 . 1 . . . . . . . . 5983 1 867 . 1 1 93 93 ARG CB C 13 31.36 0.25 . 1 . . . . . . . . 5983 1 868 . 1 1 93 93 ARG HB2 H 1 2.19 0.03 . 2 . . . . . . . . 5983 1 869 . 1 1 93 93 ARG C C 13 174.10 0.25 . 1 . . . . . . . . 5983 1 870 . 1 1 94 94 ILE N N 15 124.45 0.15 . 1 . . . . . . . . 5983 1 871 . 1 1 94 94 ILE H H 1 9.10 0.03 . 1 . . . . . . . . 5983 1 872 . 1 1 94 94 ILE CA C 13 58.59 0.25 . 1 . . . . . . . . 5983 1 873 . 1 1 94 94 ILE HA H 1 4.34 0.03 . 1 . . . . . . . . 5983 1 874 . 1 1 94 94 ILE CB C 13 38.70 0.25 . 1 . . . . . . . . 5983 1 875 . 1 1 94 94 ILE C C 13 175.63 0.25 . 1 . . . . . . . . 5983 1 876 . 1 1 95 95 GLU N N 15 118.24 0.15 . 1 . . . . . . . . 5983 1 877 . 1 1 95 95 GLU H H 1 8.73 0.03 . 1 . . . . . . . . 5983 1 878 . 1 1 95 95 GLU CA C 13 56.80 0.25 . 1 . . . . . . . . 5983 1 879 . 1 1 95 95 GLU HA H 1 3.88 0.03 . 1 . . . . . . . . 5983 1 880 . 1 1 95 95 GLU CB C 13 27.27 0.25 . 1 . . . . . . . . 5983 1 881 . 1 1 95 95 GLU HB2 H 1 1.79 0.03 . 2 . . . . . . . . 5983 1 882 . 1 1 95 95 GLU CG C 13 34.07 0.25 . 1 . . . . . . . . 5983 1 883 . 1 1 95 95 GLU HG3 H 1 1.89 0.03 . 2 . . . . . . . . 5983 1 884 . 1 1 95 95 GLU HG2 H 1 2.06 0.03 . 2 . . . . . . . . 5983 1 885 . 1 1 95 95 GLU C C 13 174.33 0.25 . 1 . . . . . . . . 5983 1 886 . 1 1 96 96 SER N N 15 113.16 0.15 . 1 . . . . . . . . 5983 1 887 . 1 1 96 96 SER H H 1 7.61 0.03 . 1 . . . . . . . . 5983 1 888 . 1 1 96 96 SER CA C 13 56.60 0.25 . 1 . . . . . . . . 5983 1 889 . 1 1 96 96 SER HA H 1 4.53 0.03 . 1 . . . . . . . . 5983 1 890 . 1 1 96 96 SER CB C 13 64.86 0.25 . 1 . . . . . . . . 5983 1 891 . 1 1 96 96 SER HB3 H 1 3.90 0.03 . 2 . . . . . . . . 5983 1 892 . 1 1 96 96 SER HB2 H 1 3.81 0.03 . 2 . . . . . . . . 5983 1 893 . 1 1 96 96 SER C C 13 171.59 0.25 . 1 . . . . . . . . 5983 1 894 . 1 1 97 97 PRO CA C 13 63.87 0.25 . 1 . . . . . . . . 5983 1 895 . 1 1 97 97 PRO HA H 1 3.83 0.03 . 1 . . . . . . . . 5983 1 896 . 1 1 97 97 PRO CB C 13 30.85 0.25 . 1 . . . . . . . . 5983 1 897 . 1 1 97 97 PRO HB3 H 1 2.02 0.03 . 2 . . . . . . . . 5983 1 898 . 1 1 97 97 PRO HB2 H 1 1.73 0.03 . 2 . . . . . . . . 5983 1 899 . 1 1 97 97 PRO CG C 13 27.26 0.25 . 1 . . . . . . . . 5983 1 900 . 1 1 97 97 PRO HG3 H 1 1.82 0.03 . 2 . . . . . . . . 5983 1 901 . 1 1 97 97 PRO HG2 H 1 1.53 0.03 . 2 . . . . . . . . 5983 1 902 . 1 1 97 97 PRO CD C 13 49.85 0.25 . 1 . . . . . . . . 5983 1 903 . 1 1 97 97 PRO HD3 H 1 3.40 0.03 . 2 . . . . . . . . 5983 1 904 . 1 1 97 97 PRO HD2 H 1 3.58 0.03 . 2 . . . . . . . . 5983 1 905 . 1 1 97 97 PRO C C 13 178.62 0.25 . 1 . . . . . . . . 5983 1 906 . 1 1 98 98 GLU N N 15 117.91 0.15 . 1 . . . . . . . . 5983 1 907 . 1 1 98 98 GLU H H 1 8.29 0.03 . 1 . . . . . . . . 5983 1 908 . 1 1 98 98 GLU CA C 13 59.25 0.25 . 1 . . . . . . . . 5983 1 909 . 1 1 98 98 GLU HA H 1 3.85 0.03 . 1 . . . . . . . . 5983 1 910 . 1 1 98 98 GLU CB C 13 28.43 0.25 . 1 . . . . . . . . 5983 1 911 . 1 1 98 98 GLU HB2 H 1 1.81 0.03 . 2 . . . . . . . . 5983 1 912 . 1 1 98 98 GLU CG C 13 36.87 0.25 . 1 . . . . . . . . 5983 1 913 . 1 1 98 98 GLU HG3 H 1 2.22 0.03 . 2 . . . . . . . . 5983 1 914 . 1 1 98 98 GLU HG2 H 1 2.06 0.03 . 2 . . . . . . . . 5983 1 915 . 1 1 98 98 GLU C C 13 177.75 0.25 . 1 . . . . . . . . 5983 1 916 . 1 1 99 99 GLU N N 15 118.15 0.15 . 1 . . . . . . . . 5983 1 917 . 1 1 99 99 GLU H H 1 7.50 0.03 . 1 . . . . . . . . 5983 1 918 . 1 1 99 99 GLU CA C 13 59.00 0.25 . 1 . . . . . . . . 5983 1 919 . 1 1 99 99 GLU HA H 1 3.77 0.03 . 1 . . . . . . . . 5983 1 920 . 1 1 99 99 GLU CB C 13 29.80 0.25 . 1 . . . . . . . . 5983 1 921 . 1 1 99 99 GLU HB2 H 1 1.96 0.03 . 2 . . . . . . . . 5983 1 922 . 1 1 99 99 GLU CG C 13 36.20 0.25 . 1 . . . . . . . . 5983 1 923 . 1 1 99 99 GLU HG2 H 1 2.16 0.03 . 2 . . . . . . . . 5983 1 924 . 1 1 99 99 GLU C C 13 178.29 0.25 . 1 . . . . . . . . 5983 1 925 . 1 1 100 100 ILE N N 15 116.95 0.15 . 1 . . . . . . . . 5983 1 926 . 1 1 100 100 ILE H H 1 7.16 0.03 . 1 . . . . . . . . 5983 1 927 . 1 1 100 100 ILE CA C 13 65.20 0.25 . 1 . . . . . . . . 5983 1 928 . 1 1 100 100 ILE HA H 1 3.33 0.03 . 1 . . . . . . . . 5983 1 929 . 1 1 100 100 ILE CB C 13 37.50 0.25 . 1 . . . . . . . . 5983 1 930 . 1 1 100 100 ILE HB H 1 1.85 0.03 . 1 . . . . . . . . 5983 1 931 . 1 1 100 100 ILE CG1 C 13 29.96 0.25 . 2 . . . . . . . . 5983 1 932 . 1 1 100 100 ILE HG13 H 1 1.04 0.03 . 1 . . . . . . . . 5983 1 933 . 1 1 100 100 ILE HG12 H 1 0.95 0.03 . 1 . . . . . . . . 5983 1 934 . 1 1 100 100 ILE CD1 C 13 13.69 0.25 . 1 . . . . . . . . 5983 1 935 . 1 1 100 100 ILE HD11 H 1 0.95 0.03 . 1 . . . . . . . . 5983 1 936 . 1 1 100 100 ILE HD12 H 1 0.95 0.03 . 1 . . . . . . . . 5983 1 937 . 1 1 100 100 ILE HD13 H 1 0.95 0.03 . 1 . . . . . . . . 5983 1 938 . 1 1 100 100 ILE CG2 C 13 17.52 0.25 . 1 . . . . . . . . 5983 1 939 . 1 1 100 100 ILE HG21 H 1 0.89 0.03 . 1 . . . . . . . . 5983 1 940 . 1 1 100 100 ILE HG22 H 1 0.89 0.03 . 1 . . . . . . . . 5983 1 941 . 1 1 100 100 ILE HG23 H 1 0.89 0.03 . 1 . . . . . . . . 5983 1 942 . 1 1 100 100 ILE C C 13 177.49 0.25 . 1 . . . . . . . . 5983 1 943 . 1 1 101 101 SER N N 15 112.89 0.15 . 1 . . . . . . . . 5983 1 944 . 1 1 101 101 SER H H 1 7.50 0.03 . 1 . . . . . . . . 5983 1 945 . 1 1 101 101 SER CA C 13 60.19 0.25 . 1 . . . . . . . . 5983 1 946 . 1 1 101 101 SER HA H 1 4.14 0.03 . 1 . . . . . . . . 5983 1 947 . 1 1 101 101 SER CB C 13 63.00 0.25 . 1 . . . . . . . . 5983 1 948 . 1 1 101 101 SER HB2 H 1 3.81 0.03 . 2 . . . . . . . . 5983 1 949 . 1 1 101 101 SER C C 13 173.78 0.25 . 1 . . . . . . . . 5983 1 950 . 1 1 102 102 LEU N N 15 119.75 0.15 . 1 . . . . . . . . 5983 1 951 . 1 1 102 102 LEU H H 1 7.32 0.03 . 1 . . . . . . . . 5983 1 952 . 1 1 102 102 LEU CA C 13 54.09 0.25 . 1 . . . . . . . . 5983 1 953 . 1 1 102 102 LEU HA H 1 4.29 0.03 . 1 . . . . . . . . 5983 1 954 . 1 1 102 102 LEU CB C 13 42.30 0.25 . 1 . . . . . . . . 5983 1 955 . 1 1 102 102 LEU HB2 H 1 1.63 0.03 . 2 . . . . . . . . 5983 1 956 . 1 1 102 102 LEU CG C 13 28.09 0.25 . 1 . . . . . . . . 5983 1 957 . 1 1 102 102 LEU HG H 1 1.29 0.03 . 1 . . . . . . . . 5983 1 958 . 1 1 102 102 LEU CD1 C 13 25.39 0.25 . 1 . . . . . . . . 5983 1 959 . 1 1 102 102 LEU HD11 H 1 1.09 0.03 . 2 . . . . . . . . 5983 1 960 . 1 1 102 102 LEU HD12 H 1 1.09 0.03 . 2 . . . . . . . . 5983 1 961 . 1 1 102 102 LEU HD13 H 1 1.09 0.03 . 2 . . . . . . . . 5983 1 962 . 1 1 102 102 LEU CD2 C 13 24.85 0.25 . 1 . . . . . . . . 5983 1 963 . 1 1 102 102 LEU HD21 H 1 0.77 0.03 . 2 . . . . . . . . 5983 1 964 . 1 1 102 102 LEU HD22 H 1 0.77 0.03 . 2 . . . . . . . . 5983 1 965 . 1 1 102 102 LEU HD23 H 1 0.77 0.03 . 2 . . . . . . . . 5983 1 966 . 1 1 102 102 LEU C C 13 177.16 0.25 . 1 . . . . . . . . 5983 1 967 . 1 1 103 103 LEU N N 15 121.62 0.15 . 1 . . . . . . . . 5983 1 968 . 1 1 103 103 LEU H H 1 7.22 0.03 . 1 . . . . . . . . 5983 1 969 . 1 1 103 103 LEU CA C 13 53.03 0.25 . 1 . . . . . . . . 5983 1 970 . 1 1 103 103 LEU HA H 1 4.28 0.03 . 1 . . . . . . . . 5983 1 971 . 1 1 103 103 LEU CB C 13 40.77 0.25 . 1 . . . . . . . . 5983 1 972 . 1 1 103 103 LEU HB3 H 1 1.66 0.03 . 2 . . . . . . . . 5983 1 973 . 1 1 103 103 LEU HB2 H 1 1.89 0.03 . 2 . . . . . . . . 5983 1 974 . 1 1 103 103 LEU CG C 13 27.93 0.25 . 1 . . . . . . . . 5983 1 975 . 1 1 103 103 LEU HG H 1 1.83 0.03 . 1 . . . . . . . . 5983 1 976 . 1 1 103 103 LEU CD1 C 13 24.20 0.25 . 1 . . . . . . . . 5983 1 977 . 1 1 103 103 LEU HD11 H 1 0.89 0.03 . 2 . . . . . . . . 5983 1 978 . 1 1 103 103 LEU HD12 H 1 0.89 0.03 . 2 . . . . . . . . 5983 1 979 . 1 1 103 103 LEU HD13 H 1 0.89 0.03 . 2 . . . . . . . . 5983 1 980 . 1 1 103 103 LEU CD2 C 13 23.93 0.25 . 1 . . . . . . . . 5983 1 981 . 1 1 103 103 LEU HD21 H 1 0.94 0.03 . 2 . . . . . . . . 5983 1 982 . 1 1 103 103 LEU HD22 H 1 0.94 0.03 . 2 . . . . . . . . 5983 1 983 . 1 1 103 103 LEU HD23 H 1 0.94 0.03 . 2 . . . . . . . . 5983 1 984 . 1 1 103 103 LEU C C 13 174.12 0.25 . 1 . . . . . . . . 5983 1 985 . 1 1 104 104 PRO CA C 13 62.09 0.25 . 1 . . . . . . . . 5983 1 986 . 1 1 104 104 PRO HA H 1 4.39 0.03 . 1 . . . . . . . . 5983 1 987 . 1 1 104 104 PRO CB C 13 31.66 0.25 . 1 . . . . . . . . 5983 1 988 . 1 1 104 104 PRO C C 13 174.34 0.25 . 1 . . . . . . . . 5983 1 989 . 1 1 105 105 LYS N N 15 117.09 0.15 . 1 . . . . . . . . 5983 1 990 . 1 1 105 105 LYS H H 1 8.17 0.03 . 1 . . . . . . . . 5983 1 991 . 1 1 105 105 LYS CA C 13 54.60 0.25 . 1 . . . . . . . . 5983 1 992 . 1 1 105 105 LYS HA H 1 4.84 0.03 . 1 . . . . . . . . 5983 1 993 . 1 1 105 105 LYS CB C 13 35.20 0.25 . 1 . . . . . . . . 5983 1 994 . 1 1 105 105 LYS HB3 H 1 1.64 0.03 . 2 . . . . . . . . 5983 1 995 . 1 1 105 105 LYS C C 13 178.00 0.25 . 1 . . . . . . . . 5983 1 996 . 1 1 106 106 THR N N 15 112.19 0.15 . 1 . . . . . . . . 5983 1 997 . 1 1 106 106 THR H H 1 8.44 0.03 . 1 . . . . . . . . 5983 1 998 . 1 1 106 106 THR CA C 13 60.40 0.25 . 1 . . . . . . . . 5983 1 999 . 1 1 106 106 THR HA H 1 4.70 0.03 . 1 . . . . . . . . 5983 1 1000 . 1 1 106 106 THR CB C 13 72.20 0.25 . 1 . . . . . . . . 5983 1 1001 . 1 1 106 106 THR HB H 1 4.63 0.03 . 1 . . . . . . . . 5983 1 1002 . 1 1 106 106 THR CG2 C 13 21.70 0.25 . 1 . . . . . . . . 5983 1 1003 . 1 1 106 106 THR HG21 H 1 1.32 0.03 . 1 . . . . . . . . 5983 1 1004 . 1 1 106 106 THR HG22 H 1 1.32 0.03 . 1 . . . . . . . . 5983 1 1005 . 1 1 106 106 THR HG23 H 1 1.32 0.03 . 1 . . . . . . . . 5983 1 1006 . 1 1 106 106 THR C C 13 177.93 0.25 . 1 . . . . . . . . 5983 1 1007 . 1 1 107 107 SER N N 15 105.53 0.15 . 1 . . . . . . . . 5983 1 1008 . 1 1 107 107 SER H H 1 7.86 0.03 . 1 . . . . . . . . 5983 1 1009 . 1 1 107 107 SER CA C 13 60.65 0.25 . 1 . . . . . . . . 5983 1 1010 . 1 1 107 107 SER HA H 1 4.17 0.03 . 1 . . . . . . . . 5983 1 1011 . 1 1 107 107 SER CB C 13 62.37 0.25 . 1 . . . . . . . . 5983 1 1012 . 1 1 107 107 SER HB3 H 1 3.69 0.03 . 2 . . . . . . . . 5983 1 1013 . 1 1 107 107 SER C C 13 174.56 0.25 . 1 . . . . . . . . 5983 1 1014 . 1 1 108 108 TRP N N 15 121.88 0.15 . 1 . . . . . . . . 5983 1 1015 . 1 1 108 108 TRP H H 1 7.66 0.03 . 1 . . . . . . . . 5983 1 1016 . 1 1 108 108 TRP CA C 13 56.13 0.25 . 1 . . . . . . . . 5983 1 1017 . 1 1 108 108 TRP HA H 1 4.71 0.03 . 1 . . . . . . . . 5983 1 1018 . 1 1 108 108 TRP CB C 13 29.03 0.25 . 1 . . . . . . . . 5983 1 1019 . 1 1 108 108 TRP HB2 H 1 2.79 0.03 . 2 . . . . . . . . 5983 1 1020 . 1 1 108 108 TRP C C 13 174.27 0.25 . 1 . . . . . . . . 5983 1 1021 . 1 1 109 109 ASN N N 15 114.29 0.15 . 1 . . . . . . . . 5983 1 1022 . 1 1 109 109 ASN H H 1 8.42 0.03 . 1 . . . . . . . . 5983 1 1023 . 1 1 109 109 ASN CA C 13 54.07 0.25 . 1 . . . . . . . . 5983 1 1024 . 1 1 109 109 ASN HA H 1 4.18 0.03 . 1 . . . . . . . . 5983 1 1025 . 1 1 109 109 ASN CB C 13 37.04 0.25 . 1 . . . . . . . . 5983 1 1026 . 1 1 109 109 ASN HB3 H 1 3.07 0.03 . 2 . . . . . . . . 5983 1 1027 . 1 1 109 109 ASN HB2 H 1 2.80 0.03 . 2 . . . . . . . . 5983 1 1028 . 1 1 109 109 ASN C C 13 172.94 0.25 . 1 . . . . . . . . 5983 1 1029 . 1 1 110 110 ILE N N 15 119.08 0.15 . 1 . . . . . . . . 5983 1 1030 . 1 1 110 110 ILE H H 1 7.07 0.03 . 1 . . . . . . . . 5983 1 1031 . 1 1 110 110 ILE CA C 13 58.20 0.25 . 1 . . . . . . . . 5983 1 1032 . 1 1 110 110 ILE HA H 1 4.28 0.03 . 1 . . . . . . . . 5983 1 1033 . 1 1 110 110 ILE CB C 13 40.80 0.25 . 1 . . . . . . . . 5983 1 1034 . 1 1 110 110 ILE HB H 1 1.84 0.03 . 1 . . . . . . . . 5983 1 1035 . 1 1 110 110 ILE CG1 C 13 26.36 0.25 . 2 . . . . . . . . 5983 1 1036 . 1 1 110 110 ILE HG13 H 1 1.18 0.03 . 1 . . . . . . . . 5983 1 1037 . 1 1 110 110 ILE HG12 H 1 1.56 0.03 . 1 . . . . . . . . 5983 1 1038 . 1 1 110 110 ILE CD1 C 13 18.01 0.25 . 1 . . . . . . . . 5983 1 1039 . 1 1 110 110 ILE HD11 H 1 0.89 0.03 . 1 . . . . . . . . 5983 1 1040 . 1 1 110 110 ILE HD12 H 1 0.89 0.03 . 1 . . . . . . . . 5983 1 1041 . 1 1 110 110 ILE HD13 H 1 0.89 0.03 . 1 . . . . . . . . 5983 1 1042 . 1 1 110 110 ILE CG2 C 13 13.30 0.25 . 1 . . . . . . . . 5983 1 1043 . 1 1 110 110 ILE HG21 H 1 0.82 0.03 . 1 . . . . . . . . 5983 1 1044 . 1 1 110 110 ILE HG22 H 1 0.82 0.03 . 1 . . . . . . . . 5983 1 1045 . 1 1 110 110 ILE HG23 H 1 0.82 0.03 . 1 . . . . . . . . 5983 1 1046 . 1 1 111 111 PRO CA C 13 61.18 0.25 . 1 . . . . . . . . 5983 1 1047 . 1 1 111 111 PRO HA H 1 4.93 0.03 . 1 . . . . . . . . 5983 1 1048 . 1 1 111 111 PRO CB C 13 31.57 0.25 . 1 . . . . . . . . 5983 1 1049 . 1 1 111 111 PRO HB2 H 1 1.69 0.03 . 2 . . . . . . . . 5983 1 1050 . 1 1 111 111 PRO C C 13 175.68 0.25 . 1 . . . . . . . . 5983 1 1051 . 1 1 112 112 GLN N N 15 116.16 0.15 . 1 . . . . . . . . 5983 1 1052 . 1 1 112 112 GLN H H 1 8.56 0.03 . 1 . . . . . . . . 5983 1 1053 . 1 1 112 112 GLN CA C 13 53.99 0.25 . 1 . . . . . . . . 5983 1 1054 . 1 1 112 112 GLN HA H 1 4.49 0.03 . 1 . . . . . . . . 5983 1 1055 . 1 1 112 112 GLN CB C 13 28.30 0.25 . 1 . . . . . . . . 5983 1 1056 . 1 1 113 113 PRO CA C 13 62.47 0.25 . 1 . . . . . . . . 5983 1 1057 . 1 1 113 113 PRO HA H 1 4.38 0.03 . 1 . . . . . . . . 5983 1 1058 . 1 1 113 113 PRO CB C 13 31.40 0.25 . 1 . . . . . . . . 5983 1 1059 . 1 1 113 113 PRO HB3 H 1 1.90 0.03 . 2 . . . . . . . . 5983 1 1060 . 1 1 113 113 PRO HB2 H 1 1.74 0.03 . 2 . . . . . . . . 5983 1 1061 . 1 1 113 113 PRO CG C 13 25.35 0.25 . 1 . . . . . . . . 5983 1 1062 . 1 1 113 113 PRO C C 13 175.63 0.25 . 1 . . . . . . . . 5983 1 1063 . 1 1 114 114 GLY N N 15 108.10 0.15 . 1 . . . . . . . . 5983 1 1064 . 1 1 114 114 GLY H H 1 8.69 0.03 . 1 . . . . . . . . 5983 1 1065 . 1 1 114 114 GLY CA C 13 44.55 0.25 . 1 . . . . . . . . 5983 1 1066 . 1 1 114 114 GLY HA3 H 1 4.25 0.03 . 2 . . . . . . . . 5983 1 1067 . 1 1 114 114 GLY HA2 H 1 4.00 0.03 . 2 . . . . . . . . 5983 1 1068 . 1 1 114 114 GLY C C 13 174.52 0.25 . 1 . . . . . . . . 5983 1 1069 . 1 1 115 115 GLU N N 15 122.08 0.15 . 1 . . . . . . . . 5983 1 1070 . 1 1 115 115 GLU H H 1 8.71 0.03 . 1 . . . . . . . . 5983 1 1071 . 1 1 115 115 GLU CA C 13 58.56 0.25 . 1 . . . . . . . . 5983 1 1072 . 1 1 115 115 GLU HA H 1 3.75 0.03 . 1 . . . . . . . . 5983 1 1073 . 1 1 115 115 GLU CB C 13 29.54 0.25 . 1 . . . . . . . . 5983 1 1074 . 1 1 115 115 GLU HB2 H 1 1.88 0.03 . 2 . . . . . . . . 5983 1 1075 . 1 1 115 115 GLU CG C 13 35.90 0.25 . 1 . . . . . . . . 5983 1 1076 . 1 1 115 115 GLU HG2 H 1 2.14 0.03 . 2 . . . . . . . . 5983 1 1077 . 1 1 115 115 GLU C C 13 176.62 0.25 . 1 . . . . . . . . 5983 1 1078 . 1 1 116 116 GLY N N 15 108.06 0.15 . 1 . . . . . . . . 5983 1 1079 . 1 1 116 116 GLY H H 1 8.61 0.03 . 1 . . . . . . . . 5983 1 1080 . 1 1 116 116 GLY CA C 13 44.58 0.25 . 1 . . . . . . . . 5983 1 1081 . 1 1 116 116 GLY HA3 H 1 4.30 0.03 . 2 . . . . . . . . 5983 1 1082 . 1 1 116 116 GLY HA2 H 1 4.00 0.03 . 2 . . . . . . . . 5983 1 1083 . 1 1 116 116 GLY C C 13 174.52 0.25 . 1 . . . . . . . . 5983 1 1084 . 1 1 117 117 ASP N N 15 121.38 0.15 . 1 . . . . . . . . 5983 1 1085 . 1 1 117 117 ASP H H 1 7.27 0.03 . 1 . . . . . . . . 5983 1 1086 . 1 1 117 117 ASP CA C 13 52.37 0.25 . 1 . . . . . . . . 5983 1 1087 . 1 1 117 117 ASP HA H 1 4.45 0.03 . 1 . . . . . . . . 5983 1 1088 . 1 1 117 117 ASP CB C 13 40.97 0.25 . 1 . . . . . . . . 5983 1 1089 . 1 1 117 117 ASP HB3 H 1 1.67 0.03 . 2 . . . . . . . . 5983 1 1090 . 1 1 117 117 ASP HB2 H 1 1.78 0.03 . 2 . . . . . . . . 5983 1 1091 . 1 1 117 117 ASP C C 13 175.56 0.25 . 1 . . . . . . . . 5983 1 1092 . 1 1 118 118 VAL N N 15 125.82 0.15 . 1 . . . . . . . . 5983 1 1093 . 1 1 118 118 VAL H H 1 8.34 0.03 . 1 . . . . . . . . 5983 1 1094 . 1 1 118 118 VAL CA C 13 63.07 0.25 . 1 . . . . . . . . 5983 1 1095 . 1 1 118 118 VAL HA H 1 3.85 0.03 . 1 . . . . . . . . 5983 1 1096 . 1 1 118 118 VAL CB C 13 30.95 0.25 . 1 . . . . . . . . 5983 1 1097 . 1 1 118 118 VAL HB H 1 2.12 0.03 . 1 . . . . . . . . 5983 1 1098 . 1 1 118 118 VAL CG2 C 13 20.66 0.25 . 1 . . . . . . . . 5983 1 1099 . 1 1 118 118 VAL HG21 H 1 0.83 0.03 . 2 . . . . . . . . 5983 1 1100 . 1 1 118 118 VAL HG22 H 1 0.83 0.03 . 2 . . . . . . . . 5983 1 1101 . 1 1 118 118 VAL HG23 H 1 0.83 0.03 . 2 . . . . . . . . 5983 1 1102 . 1 1 118 118 VAL CG1 C 13 20.80 0.25 . 1 . . . . . . . . 5983 1 1103 . 1 1 118 118 VAL HG11 H 1 0.88 0.03 . 2 . . . . . . . . 5983 1 1104 . 1 1 118 118 VAL HG12 H 1 0.88 0.03 . 2 . . . . . . . . 5983 1 1105 . 1 1 118 118 VAL HG13 H 1 0.88 0.03 . 2 . . . . . . . . 5983 1 1106 . 1 1 118 118 VAL C C 13 174.27 0.25 . 1 . . . . . . . . 5983 1 1107 . 1 1 119 119 ARG N N 15 126.20 0.15 . 1 . . . . . . . . 5983 1 1108 . 1 1 119 119 ARG H H 1 8.02 0.03 . 1 . . . . . . . . 5983 1 1109 . 1 1 119 119 ARG CA C 13 53.50 0.25 . 1 . . . . . . . . 5983 1 1110 . 1 1 119 119 ARG HA H 1 4.53 0.03 . 1 . . . . . . . . 5983 1 1111 . 1 1 119 119 ARG CB C 13 34.37 0.25 . 1 . . . . . . . . 5983 1 1112 . 1 1 119 119 ARG HB2 H 1 1.89 0.03 . 2 . . . . . . . . 5983 1 1113 . 1 1 119 119 ARG CG C 13 27.24 0.25 . 1 . . . . . . . . 5983 1 1114 . 1 1 119 119 ARG HG3 H 1 1.52 0.03 . 2 . . . . . . . . 5983 1 1115 . 1 1 119 119 ARG HG2 H 1 1.62 0.03 . 2 . . . . . . . . 5983 1 1116 . 1 1 119 119 ARG CD C 13 43.21 0.25 . 1 . . . . . . . . 5983 1 1117 . 1 1 119 119 ARG HD2 H 1 3.08 0.03 . 2 . . . . . . . . 5983 1 1118 . 1 1 119 119 ARG C C 13 175.00 0.25 . 1 . . . . . . . . 5983 1 1119 . 1 1 120 120 GLU N N 15 123.21 0.15 . 1 . . . . . . . . 5983 1 1120 . 1 1 120 120 GLU H H 1 8.80 0.03 . 1 . . . . . . . . 5983 1 1121 . 1 1 120 120 GLU CA C 13 56.80 0.25 . 1 . . . . . . . . 5983 1 1122 . 1 1 120 120 GLU HA H 1 4.02 0.03 . 1 . . . . . . . . 5983 1 1123 . 1 1 120 120 GLU CB C 13 30.59 0.25 . 1 . . . . . . . . 5983 1 1124 . 1 1 120 120 GLU HB2 H 1 1.98 0.03 . 2 . . . . . . . . 5983 1 1125 . 1 1 120 120 GLU CG C 13 36.29 0.25 . 1 . . . . . . . . 5983 1 1126 . 1 1 120 120 GLU HG2 H 1 2.19 0.03 . 2 . . . . . . . . 5983 1 1127 . 1 1 120 120 GLU C C 13 173.73 0.25 . 1 . . . . . . . . 5983 1 1128 . 1 1 121 121 GLU N N 15 129.17 0.15 . 1 . . . . . . . . 5983 1 1129 . 1 1 121 121 GLU H H 1 8.58 0.03 . 1 . . . . . . . . 5983 1 1130 . 1 1 121 121 GLU CA C 13 54.54 0.25 . 1 . . . . . . . . 5983 1 1131 . 1 1 121 121 GLU HA H 1 4.54 0.03 . 1 . . . . . . . . 5983 1 1132 . 1 1 121 121 GLU CB C 13 31.35 0.25 . 1 . . . . . . . . 5983 1 1133 . 1 1 121 121 GLU HB3 H 1 1.81 0.03 . 2 . . . . . . . . 5983 1 1134 . 1 1 121 121 GLU HB2 H 1 2.01 0.03 . 2 . . . . . . . . 5983 1 1135 . 1 1 121 121 GLU CG C 13 36.38 0.25 . 1 . . . . . . . . 5983 1 1136 . 1 1 121 121 GLU HG3 H 1 2.20 0.03 . 2 . . . . . . . . 5983 1 1137 . 1 1 121 121 GLU HG2 H 1 2.06 0.03 . 2 . . . . . . . . 5983 1 1138 . 1 1 121 121 GLU C C 13 178.55 0.25 . 1 . . . . . . . . 5983 1 1139 . 1 1 122 122 ALA N N 15 126.87 0.15 . 1 . . . . . . . . 5983 1 1140 . 1 1 122 122 ALA H H 1 8.29 0.03 . 1 . . . . . . . . 5983 1 1141 . 1 1 122 122 ALA CA C 13 56.00 0.25 . 1 . . . . . . . . 5983 1 1142 . 1 1 122 122 ALA HA H 1 2.96 0.03 . 1 . . . . . . . . 5983 1 1143 . 1 1 122 122 ALA CB C 13 18.00 0.25 . 1 . . . . . . . . 5983 1 1144 . 1 1 122 122 ALA HB1 H 1 0.18 0.03 . 1 . . . . . . . . 5983 1 1145 . 1 1 122 122 ALA HB2 H 1 0.18 0.03 . 1 . . . . . . . . 5983 1 1146 . 1 1 122 122 ALA HB3 H 1 0.18 0.03 . 1 . . . . . . . . 5983 1 1147 . 1 1 122 122 ALA C C 13 179.36 0.25 . 1 . . . . . . . . 5983 1 1148 . 1 1 123 123 LEU N N 15 116.40 0.15 . 1 . . . . . . . . 5983 1 1149 . 1 1 123 123 LEU H H 1 9.36 0.03 . 1 . . . . . . . . 5983 1 1150 . 1 1 123 123 LEU CA C 13 57.03 0.25 . 1 . . . . . . . . 5983 1 1151 . 1 1 123 123 LEU HA H 1 4.10 0.03 . 1 . . . . . . . . 5983 1 1152 . 1 1 123 123 LEU CB C 13 39.38 0.25 . 1 . . . . . . . . 5983 1 1153 . 1 1 123 123 LEU HB3 H 1 2.06 0.03 . 2 . . . . . . . . 5983 1 1154 . 1 1 123 123 LEU HB2 H 1 1.72 0.03 . 2 . . . . . . . . 5983 1 1155 . 1 1 123 123 LEU CG C 13 25.25 0.25 . 1 . . . . . . . . 5983 1 1156 . 1 1 123 123 LEU HG H 1 1.48 0.03 . 1 . . . . . . . . 5983 1 1157 . 1 1 123 123 LEU CD2 C 13 15.90 0.25 . 1 . . . . . . . . 5983 1 1158 . 1 1 123 123 LEU HD21 H 1 0.79 0.03 . 2 . . . . . . . . 5983 1 1159 . 1 1 123 123 LEU HD22 H 1 0.79 0.03 . 2 . . . . . . . . 5983 1 1160 . 1 1 123 123 LEU HD23 H 1 0.79 0.03 . 2 . . . . . . . . 5983 1 1161 . 1 1 123 123 LEU C C 13 178.65 0.25 . 1 . . . . . . . . 5983 1 1162 . 1 1 124 124 SER N N 15 113.51 0.15 . 1 . . . . . . . . 5983 1 1163 . 1 1 124 124 SER H H 1 7.99 0.03 . 1 . . . . . . . . 5983 1 1164 . 1 1 124 124 SER CA C 13 59.70 0.25 . 1 . . . . . . . . 5983 1 1165 . 1 1 124 124 SER HA H 1 4.43 0.03 . 1 . . . . . . . . 5983 1 1166 . 1 1 124 124 SER CB C 13 63.90 0.25 . 1 . . . . . . . . 5983 1 1167 . 1 1 124 124 SER HB3 H 1 3.93 0.03 . 2 . . . . . . . . 5983 1 1168 . 1 1 124 124 SER HB2 H 1 4.07 0.03 . 2 . . . . . . . . 5983 1 1169 . 1 1 124 124 SER C C 13 175.18 0.25 . 1 . . . . . . . . 5983 1 1170 . 1 1 125 125 THR N N 15 108.41 0.15 . 1 . . . . . . . . 5983 1 1171 . 1 1 125 125 THR H H 1 7.19 0.03 . 1 . . . . . . . . 5983 1 1172 . 1 1 125 125 THR CA C 13 60.14 0.25 . 1 . . . . . . . . 5983 1 1173 . 1 1 125 125 THR HA H 1 4.58 0.03 . 1 . . . . . . . . 5983 1 1174 . 1 1 125 125 THR CB C 13 68.70 0.25 . 1 . . . . . . . . 5983 1 1175 . 1 1 125 125 THR HB H 1 4.71 0.03 . 1 . . . . . . . . 5983 1 1176 . 1 1 125 125 THR CG2 C 13 21.79 0.25 . 1 . . . . . . . . 5983 1 1177 . 1 1 125 125 THR HG21 H 1 1.11 0.03 . 1 . . . . . . . . 5983 1 1178 . 1 1 125 125 THR HG22 H 1 1.11 0.03 . 1 . . . . . . . . 5983 1 1179 . 1 1 125 125 THR HG23 H 1 1.11 0.03 . 1 . . . . . . . . 5983 1 1180 . 1 1 125 125 THR C C 13 174.00 0.25 . 1 . . . . . . . . 5983 1 1181 . 1 1 126 126 GLY N N 15 107.36 0.15 . 1 . . . . . . . . 5983 1 1182 . 1 1 126 126 GLY H H 1 7.61 0.03 . 1 . . . . . . . . 5983 1 1183 . 1 1 126 126 GLY CA C 13 44.84 0.25 . 1 . . . . . . . . 5983 1 1184 . 1 1 126 126 GLY HA2 H 1 4.36 0.03 . 2 . . . . . . . . 5983 1 1185 . 1 1 126 126 GLY C C 13 174.25 0.25 . 1 . . . . . . . . 5983 1 1186 . 1 1 127 127 GLY N N 15 108.87 0.15 . 1 . . . . . . . . 5983 1 1187 . 1 1 127 127 GLY H H 1 8.34 0.03 . 1 . . . . . . . . 5983 1 1188 . 1 1 127 127 GLY CA C 13 44.16 0.25 . 1 . . . . . . . . 5983 1 1189 . 1 1 127 127 GLY HA3 H 1 4.34 0.03 . 2 . . . . . . . . 5983 1 1190 . 1 1 127 127 GLY C C 13 172.95 0.25 . 1 . . . . . . . . 5983 1 1191 . 1 1 128 128 LEU N N 15 120.97 0.15 . 1 . . . . . . . . 5983 1 1192 . 1 1 128 128 LEU H H 1 9.23 0.03 . 1 . . . . . . . . 5983 1 1193 . 1 1 128 128 LEU CA C 13 53.16 0.25 . 1 . . . . . . . . 5983 1 1194 . 1 1 128 128 LEU HA H 1 4.26 0.03 . 1 . . . . . . . . 5983 1 1195 . 1 1 128 128 LEU CB C 13 46.30 0.25 . 1 . . . . . . . . 5983 1 1196 . 1 1 128 128 LEU HB3 H 1 1.04 0.03 . 2 . . . . . . . . 5983 1 1197 . 1 1 128 128 LEU HB2 H 1 1.26 0.03 . 2 . . . . . . . . 5983 1 1198 . 1 1 128 128 LEU CG C 13 26.26 0.25 . 1 . . . . . . . . 5983 1 1199 . 1 1 128 128 LEU HG H 1 0.77 0.03 . 1 . . . . . . . . 5983 1 1200 . 1 1 128 128 LEU CD1 C 13 24.64 0.25 . 1 . . . . . . . . 5983 1 1201 . 1 1 128 128 LEU CD2 C 13 21.99 0.25 . 1 . . . . . . . . 5983 1 1202 . 1 1 128 128 LEU C C 13 174.60 0.25 . 1 . . . . . . . . 5983 1 1203 . 1 1 129 129 ASP N N 15 119.18 0.15 . 1 . . . . . . . . 5983 1 1204 . 1 1 129 129 ASP H H 1 8.77 0.03 . 1 . . . . . . . . 5983 1 1205 . 1 1 129 129 ASP CA C 13 55.67 0.25 . 1 . . . . . . . . 5983 1 1206 . 1 1 129 129 ASP HA H 1 4.72 0.03 . 1 . . . . . . . . 5983 1 1207 . 1 1 129 129 ASP CB C 13 42.85 0.25 . 1 . . . . . . . . 5983 1 1208 . 1 1 129 129 ASP HB3 H 1 3.03 0.03 . 2 . . . . . . . . 5983 1 1209 . 1 1 129 129 ASP HB2 H 1 2.74 0.03 . 2 . . . . . . . . 5983 1 1210 . 1 1 129 129 ASP C C 13 175.86 0.25 . 1 . . . . . . . . 5983 1 1211 . 1 1 130 130 LEU N N 15 121.74 0.15 . 1 . . . . . . . . 5983 1 1212 . 1 1 130 130 LEU H H 1 7.32 0.03 . 1 . . . . . . . . 5983 1 1213 . 1 1 130 130 LEU CA C 13 54.30 0.25 . 1 . . . . . . . . 5983 1 1214 . 1 1 130 130 LEU HA H 1 5.19 0.03 . 1 . . . . . . . . 5983 1 1215 . 1 1 130 130 LEU CB C 13 45.03 0.25 . 1 . . . . . . . . 5983 1 1216 . 1 1 130 130 LEU HB3 H 1 1.39 0.03 . 2 . . . . . . . . 5983 1 1217 . 1 1 130 130 LEU HB2 H 1 1.64 0.03 . 2 . . . . . . . . 5983 1 1218 . 1 1 130 130 LEU C C 13 173.56 0.25 . 1 . . . . . . . . 5983 1 1219 . 1 1 131 131 ILE N N 15 125.19 0.15 . 1 . . . . . . . . 5983 1 1220 . 1 1 131 131 ILE H H 1 9.11 0.03 . 1 . . . . . . . . 5983 1 1221 . 1 1 131 131 ILE CA C 13 60.10 0.25 . 1 . . . . . . . . 5983 1 1222 . 1 1 131 131 ILE HA H 1 4.70 0.03 . 1 . . . . . . . . 5983 1 1223 . 1 1 131 131 ILE CB C 13 41.80 0.25 . 1 . . . . . . . . 5983 1 1224 . 1 1 131 131 ILE HB H 1 1.63 0.03 . 1 . . . . . . . . 5983 1 1225 . 1 1 131 131 ILE CG1 C 13 26.95 0.25 . 2 . . . . . . . . 5983 1 1226 . 1 1 131 131 ILE HG12 H 1 0.99 0.03 . 1 . . . . . . . . 5983 1 1227 . 1 1 131 131 ILE CD1 C 13 11.55 0.25 . 1 . . . . . . . . 5983 1 1228 . 1 1 131 131 ILE CG2 C 13 16.90 0.25 . 1 . . . . . . . . 5983 1 1229 . 1 1 131 131 ILE HG21 H 1 0.91 0.03 . 1 . . . . . . . . 5983 1 1230 . 1 1 131 131 ILE HG22 H 1 0.91 0.03 . 1 . . . . . . . . 5983 1 1231 . 1 1 131 131 ILE HG23 H 1 0.91 0.03 . 1 . . . . . . . . 5983 1 1232 . 1 1 131 131 ILE C C 13 174.47 0.25 . 1 . . . . . . . . 5983 1 1233 . 1 1 132 132 PHE N N 15 126.53 0.15 . 1 . . . . . . . . 5983 1 1234 . 1 1 132 132 PHE H H 1 9.04 0.03 . 1 . . . . . . . . 5983 1 1235 . 1 1 132 132 PHE CA C 13 57.08 0.25 . 1 . . . . . . . . 5983 1 1236 . 1 1 132 132 PHE HA H 1 5.35 0.03 . 1 . . . . . . . . 5983 1 1237 . 1 1 132 132 PHE CB C 13 39.83 0.25 . 1 . . . . . . . . 5983 1 1238 . 1 1 132 132 PHE HB3 H 1 2.96 0.03 . 2 . . . . . . . . 5983 1 1239 . 1 1 132 132 PHE HB2 H 1 3.44 0.03 . 2 . . . . . . . . 5983 1 1240 . 1 1 132 132 PHE C C 13 175.00 0.25 . 1 . . . . . . . . 5983 1 1241 . 1 1 133 133 MET N N 15 125.61 0.15 . 1 . . . . . . . . 5983 1 1242 . 1 1 133 133 MET H H 1 8.81 0.03 . 1 . . . . . . . . 5983 1 1243 . 1 1 133 133 MET CA C 13 50.60 0.25 . 1 . . . . . . . . 5983 1 1244 . 1 1 133 133 MET HA H 1 4.64 0.03 . 1 . . . . . . . . 5983 1 1245 . 1 1 133 133 MET CB C 13 33.30 0.25 . 1 . . . . . . . . 5983 1 1246 . 1 1 133 133 MET HB3 H 1 2.04 0.03 . 2 . . . . . . . . 5983 1 1247 . 1 1 133 133 MET HB2 H 1 1.53 0.03 . 2 . . . . . . . . 5983 1 1248 . 1 1 133 133 MET CG C 13 31.28 0.25 . 1 . . . . . . . . 5983 1 1249 . 1 1 133 133 MET HG2 H 1 2.21 0.03 . 2 . . . . . . . . 5983 1 1250 . 1 1 133 133 MET CE C 13 21.60 0.25 . 1 . . . . . . . . 5983 1 1251 . 1 1 133 133 MET HE1 H 1 0.90 0.03 . 1 . . . . . . . . 5983 1 1252 . 1 1 133 133 MET HE2 H 1 0.90 0.03 . 1 . . . . . . . . 5983 1 1253 . 1 1 133 133 MET HE3 H 1 0.90 0.03 . 1 . . . . . . . . 5983 1 1254 . 1 1 133 133 MET C C 13 171.31 0.25 . 1 . . . . . . . . 5983 1 1255 . 1 1 134 134 PRO CA C 13 57.88 0.25 . 1 . . . . . . . . 5983 1 1256 . 1 1 134 134 PRO HA H 1 4.04 0.03 . 1 . . . . . . . . 5983 1 1257 . 1 1 134 134 PRO CB C 13 30.45 0.25 . 1 . . . . . . . . 5983 1 1258 . 1 1 134 134 PRO HB3 H 1 2.01 0.03 . 2 . . . . . . . . 5983 1 1259 . 1 1 134 134 PRO HB2 H 1 1.78 0.03 . 2 . . . . . . . . 5983 1 1260 . 1 1 134 134 PRO CG C 13 27.10 0.25 . 1 . . . . . . . . 5983 1 1261 . 1 1 134 134 PRO C C 13 176.43 0.25 . 1 . . . . . . . . 5983 1 1262 . 1 1 135 135 GLY N N 15 107.28 0.15 . 1 . . . . . . . . 5983 1 1263 . 1 1 135 135 GLY H H 1 8.36 0.03 . 1 . . . . . . . . 5983 1 1264 . 1 1 135 135 GLY CA C 13 45.50 0.25 . 1 . . . . . . . . 5983 1 1265 . 1 1 135 135 GLY HA2 H 1 3.63 0.03 . 2 . . . . . . . . 5983 1 1266 . 1 1 135 135 GLY C C 13 181.75 0.25 . 1 . . . . . . . . 5983 1 1267 . 1 1 136 136 LEU N N 15 118.61 0.15 . 1 . . . . . . . . 5983 1 1268 . 1 1 136 136 LEU H H 1 8.10 0.03 . 1 . . . . . . . . 5983 1 1269 . 1 1 136 136 LEU CA C 13 55.67 0.25 . 1 . . . . . . . . 5983 1 1270 . 1 1 136 136 LEU HA H 1 4.24 0.03 . 1 . . . . . . . . 5983 1 1271 . 1 1 136 136 LEU CB C 13 43.70 0.25 . 1 . . . . . . . . 5983 1 1272 . 1 1 136 136 LEU HB3 H 1 1.02 0.03 . 2 . . . . . . . . 5983 1 1273 . 1 1 136 136 LEU HB2 H 1 1.18 0.03 . 2 . . . . . . . . 5983 1 1274 . 1 1 136 136 LEU CG C 13 27.38 0.25 . 1 . . . . . . . . 5983 1 1275 . 1 1 136 136 LEU C C 13 176.18 0.25 . 1 . . . . . . . . 5983 1 1276 . 1 1 137 137 GLY N N 15 105.30 0.15 . 1 . . . . . . . . 5983 1 1277 . 1 1 137 137 GLY H H 1 7.11 0.03 . 1 . . . . . . . . 5983 1 1278 . 1 1 137 137 GLY CA C 13 44.55 0.25 . 1 . . . . . . . . 5983 1 1279 . 1 1 137 137 GLY HA2 H 1 4.73 0.03 . 2 . . . . . . . . 5983 1 1280 . 1 1 137 137 GLY C C 13 181.77 0.25 . 1 . . . . . . . . 5983 1 1281 . 1 1 138 138 PHE N N 15 116.49 0.15 . 1 . . . . . . . . 5983 1 1282 . 1 1 138 138 PHE H H 1 8.32 0.03 . 1 . . . . . . . . 5983 1 1283 . 1 1 138 138 PHE CA C 13 55.76 0.25 . 1 . . . . . . . . 5983 1 1284 . 1 1 138 138 PHE HA H 1 5.42 0.03 . 1 . . . . . . . . 5983 1 1285 . 1 1 138 138 PHE CB C 13 45.34 0.25 . 1 . . . . . . . . 5983 1 1286 . 1 1 138 138 PHE HB3 H 1 2.25 0.03 . 2 . . . . . . . . 5983 1 1287 . 1 1 138 138 PHE HB2 H 1 3.28 0.03 . 2 . . . . . . . . 5983 1 1288 . 1 1 138 138 PHE C C 13 174.16 0.25 . 1 . . . . . . . . 5983 1 1289 . 1 1 139 139 ASP N N 15 118.60 0.15 . 1 . . . . . . . . 5983 1 1290 . 1 1 139 139 ASP H H 1 7.97 0.03 . 1 . . . . . . . . 5983 1 1291 . 1 1 139 139 ASP CA C 13 51.80 0.25 . 1 . . . . . . . . 5983 1 1292 . 1 1 139 139 ASP HA H 1 5.22 0.03 . 1 . . . . . . . . 5983 1 1293 . 1 1 139 139 ASP CB C 13 44.01 0.25 . 1 . . . . . . . . 5983 1 1294 . 1 1 139 139 ASP HB3 H 1 2.23 0.03 . 2 . . . . . . . . 5983 1 1295 . 1 1 139 139 ASP C C 13 176.91 0.25 . 1 . . . . . . . . 5983 1 1296 . 1 1 140 140 LYS N N 15 114.40 0.15 . 1 . . . . . . . . 5983 1 1297 . 1 1 140 140 LYS H H 1 8.32 0.03 . 1 . . . . . . . . 5983 1 1298 . 1 1 140 140 LYS CA C 13 57.80 0.25 . 1 . . . . . . . . 5983 1 1299 . 1 1 140 140 LYS HA H 1 4.23 0.03 . 1 . . . . . . . . 5983 1 1300 . 1 1 140 140 LYS CB C 13 31.07 0.25 . 1 . . . . . . . . 5983 1 1301 . 1 1 140 140 LYS HB3 H 1 1.85 0.03 . 2 . . . . . . . . 5983 1 1302 . 1 1 140 140 LYS HB2 H 1 1.74 0.03 . 2 . . . . . . . . 5983 1 1303 . 1 1 140 140 LYS CG C 13 25.34 0.25 . 1 . . . . . . . . 5983 1 1304 . 1 1 140 140 LYS HG3 H 1 1.75 0.03 . 2 . . . . . . . . 5983 1 1305 . 1 1 140 140 LYS HG2 H 1 1.58 0.03 . 2 . . . . . . . . 5983 1 1306 . 1 1 140 140 LYS CD C 13 29.39 0.25 . 1 . . . . . . . . 5983 1 1307 . 1 1 140 140 LYS C C 13 176.63 0.25 . 1 . . . . . . . . 5983 1 1308 . 1 1 141 141 HIS N N 15 118.02 0.15 . 1 . . . . . . . . 5983 1 1309 . 1 1 141 141 HIS H H 1 8.18 0.03 . 1 . . . . . . . . 5983 1 1310 . 1 1 141 141 HIS CA C 13 54.98 0.25 . 1 . . . . . . . . 5983 1 1311 . 1 1 141 141 HIS HA H 1 4.60 0.03 . 1 . . . . . . . . 5983 1 1312 . 1 1 141 141 HIS CB C 13 29.28 0.25 . 1 . . . . . . . . 5983 1 1313 . 1 1 141 141 HIS HB3 H 1 3.22 0.03 . 2 . . . . . . . . 5983 1 1314 . 1 1 141 141 HIS HB2 H 1 3.04 0.03 . 2 . . . . . . . . 5983 1 1315 . 1 1 141 141 HIS C C 13 174.57 0.25 . 1 . . . . . . . . 5983 1 1316 . 1 1 142 142 GLY N N 15 106.24 0.15 . 1 . . . . . . . . 5983 1 1317 . 1 1 142 142 GLY H H 1 7.95 0.03 . 1 . . . . . . . . 5983 1 1318 . 1 1 142 142 GLY CA C 13 44.92 0.25 . 1 . . . . . . . . 5983 1 1319 . 1 1 142 142 GLY HA3 H 1 4.35 0.03 . 2 . . . . . . . . 5983 1 1320 . 1 1 142 142 GLY C C 13 173.85 0.25 . 1 . . . . . . . . 5983 1 1321 . 1 1 143 143 ASN N N 15 119.62 0.15 . 1 . . . . . . . . 5983 1 1322 . 1 1 143 143 ASN H H 1 8.43 0.03 . 1 . . . . . . . . 5983 1 1323 . 1 1 143 143 ASN CA C 13 54.35 0.25 . 1 . . . . . . . . 5983 1 1324 . 1 1 143 143 ASN HA H 1 4.58 0.03 . 1 . . . . . . . . 5983 1 1325 . 1 1 143 143 ASN CB C 13 38.23 0.25 . 1 . . . . . . . . 5983 1 1326 . 1 1 143 143 ASN HB2 H 1 2.10 0.03 . 2 . . . . . . . . 5983 1 1327 . 1 1 143 143 ASN C C 13 173.57 0.25 . 1 . . . . . . . . 5983 1 1328 . 1 1 144 144 ARG N N 15 121.56 0.15 . 1 . . . . . . . . 5983 1 1329 . 1 1 144 144 ARG H H 1 8.58 0.03 . 1 . . . . . . . . 5983 1 1330 . 1 1 144 144 ARG CA C 13 53.93 0.25 . 1 . . . . . . . . 5983 1 1331 . 1 1 144 144 ARG HA H 1 4.46 0.03 . 1 . . . . . . . . 5983 1 1332 . 1 1 144 144 ARG CB C 13 34.50 0.25 . 1 . . . . . . . . 5983 1 1333 . 1 1 144 144 ARG HB3 H 1 1.34 0.03 . 2 . . . . . . . . 5983 1 1334 . 1 1 144 144 ARG HB2 H 1 1.44 0.03 . 2 . . . . . . . . 5983 1 1335 . 1 1 144 144 ARG C C 13 173.10 0.25 . 1 . . . . . . . . 5983 1 1336 . 1 1 145 145 LEU N N 15 128.64 0.15 . 1 . . . . . . . . 5983 1 1337 . 1 1 145 145 LEU H H 1 8.50 0.03 . 1 . . . . . . . . 5983 1 1338 . 1 1 145 145 LEU CA C 13 52.79 0.25 . 1 . . . . . . . . 5983 1 1339 . 1 1 145 145 LEU HA H 1 4.38 0.03 . 1 . . . . . . . . 5983 1 1340 . 1 1 145 145 LEU CB C 13 43.27 0.25 . 1 . . . . . . . . 5983 1 1341 . 1 1 145 145 LEU HB3 H 1 1.30 0.03 . 2 . . . . . . . . 5983 1 1342 . 1 1 145 145 LEU HB2 H 1 1.35 0.03 . 2 . . . . . . . . 5983 1 1343 . 1 1 145 145 LEU CG C 13 29.03 0.25 . 1 . . . . . . . . 5983 1 1344 . 1 1 145 145 LEU HG H 1 0.94 0.03 . 1 . . . . . . . . 5983 1 1345 . 1 1 145 145 LEU CD1 C 13 26.91 0.25 . 1 . . . . . . . . 5983 1 1346 . 1 1 145 145 LEU HD11 H 1 0.70 0.03 . 2 . . . . . . . . 5983 1 1347 . 1 1 145 145 LEU HD12 H 1 0.70 0.03 . 2 . . . . . . . . 5983 1 1348 . 1 1 145 145 LEU HD13 H 1 0.70 0.03 . 2 . . . . . . . . 5983 1 1349 . 1 1 145 145 LEU CD2 C 13 25.64 0.25 . 1 . . . . . . . . 5983 1 1350 . 1 1 145 145 LEU HD21 H 1 0.54 0.03 . 2 . . . . . . . . 5983 1 1351 . 1 1 145 145 LEU HD22 H 1 0.54 0.03 . 2 . . . . . . . . 5983 1 1352 . 1 1 145 145 LEU HD23 H 1 0.54 0.03 . 2 . . . . . . . . 5983 1 1353 . 1 1 145 145 LEU C C 13 175.20 0.25 . 1 . . . . . . . . 5983 1 1354 . 1 1 146 146 GLY N N 15 114.97 0.15 . 1 . . . . . . . . 5983 1 1355 . 1 1 146 146 GLY H H 1 9.09 0.03 . 1 . . . . . . . . 5983 1 1356 . 1 1 146 146 GLY CA C 13 43.69 0.25 . 1 . . . . . . . . 5983 1 1357 . 1 1 146 146 GLY HA2 H 1 3.98 0.03 . 2 . . . . . . . . 5983 1 1358 . 1 1 146 146 GLY C C 13 172.71 0.25 . 1 . . . . . . . . 5983 1 1359 . 1 1 147 147 ARG N N 15 118.49 0.15 . 1 . . . . . . . . 5983 1 1360 . 1 1 147 147 ARG H H 1 8.80 0.03 . 1 . . . . . . . . 5983 1 1361 . 1 1 147 147 ARG CA C 13 61.34 0.25 . 1 . . . . . . . . 5983 1 1362 . 1 1 147 147 ARG HA H 1 4.39 0.03 . 1 . . . . . . . . 5983 1 1363 . 1 1 147 147 ARG CB C 13 30.13 0.25 . 1 . . . . . . . . 5983 1 1364 . 1 1 147 147 ARG C C 13 175.90 0.25 . 1 . . . . . . . . 5983 1 1365 . 1 1 148 148 GLY N N 15 108.33 0.15 . 1 . . . . . . . . 5983 1 1366 . 1 1 148 148 GLY H H 1 8.36 0.03 . 1 . . . . . . . . 5983 1 1367 . 1 1 148 148 GLY CA C 13 45.37 0.25 . 1 . . . . . . . . 5983 1 1368 . 1 1 148 148 GLY HA3 H 1 3.49 0.03 . 2 . . . . . . . . 5983 1 1369 . 1 1 148 148 GLY HA2 H 1 3.83 0.03 . 2 . . . . . . . . 5983 1 1370 . 1 1 148 148 GLY C C 13 172.97 0.25 . 1 . . . . . . . . 5983 1 1371 . 1 1 149 149 LYS N N 15 118.38 0.15 . 1 . . . . . . . . 5983 1 1372 . 1 1 149 149 LYS H H 1 8.03 0.03 . 1 . . . . . . . . 5983 1 1373 . 1 1 149 149 LYS CA C 13 56.32 0.25 . 1 . . . . . . . . 5983 1 1374 . 1 1 149 149 LYS HA H 1 4.17 0.03 . 1 . . . . . . . . 5983 1 1375 . 1 1 149 149 LYS CB C 13 32.60 0.25 . 1 . . . . . . . . 5983 1 1376 . 1 1 149 149 LYS HB3 H 1 1.29 0.03 . 2 . . . . . . . . 5983 1 1377 . 1 1 149 149 LYS HB2 H 1 1.65 0.03 . 2 . . . . . . . . 5983 1 1378 . 1 1 149 149 LYS CG C 13 25.18 0.25 . 1 . . . . . . . . 5983 1 1379 . 1 1 149 149 LYS HG3 H 1 1.62 0.03 . 2 . . . . . . . . 5983 1 1380 . 1 1 149 149 LYS HG2 H 1 1.37 0.03 . 2 . . . . . . . . 5983 1 1381 . 1 1 149 149 LYS C C 13 176.86 0.25 . 1 . . . . . . . . 5983 1 1382 . 1 1 150 150 GLY N N 15 109.50 0.15 . 1 . . . . . . . . 5983 1 1383 . 1 1 150 150 GLY H H 1 8.48 0.03 . 1 . . . . . . . . 5983 1 1384 . 1 1 150 150 GLY CA C 13 46.69 0.25 . 1 . . . . . . . . 5983 1 1385 . 1 1 150 150 GLY HA3 H 1 3.77 0.03 . 2 . . . . . . . . 5983 1 1386 . 1 1 150 150 GLY HA2 H 1 4.25 0.03 . 2 . . . . . . . . 5983 1 1387 . 1 1 150 150 GLY C C 13 175.62 0.25 . 1 . . . . . . . . 5983 1 1388 . 1 1 151 151 TYR N N 15 118.84 0.15 . 1 . . . . . . . . 5983 1 1389 . 1 1 151 151 TYR H H 1 7.45 0.03 . 1 . . . . . . . . 5983 1 1390 . 1 1 152 152 TYR CA C 13 63.60 0.25 . 1 . . . . . . . . 5983 1 1391 . 1 1 152 152 TYR HA H 1 3.81 0.03 . 1 . . . . . . . . 5983 1 1392 . 1 1 152 152 TYR CB C 13 37.74 0.25 . 1 . . . . . . . . 5983 1 1393 . 1 1 152 152 TYR HB2 H 1 2.58 0.03 . 2 . . . . . . . . 5983 1 1394 . 1 1 152 152 TYR C C 13 177.03 0.25 . 1 . . . . . . . . 5983 1 1395 . 1 1 153 153 ASP N N 15 120.94 0.15 . 1 . . . . . . . . 5983 1 1396 . 1 1 153 153 ASP H H 1 8.20 0.03 . 1 . . . . . . . . 5983 1 1397 . 1 1 153 153 ASP CA C 13 57.43 0.25 . 1 . . . . . . . . 5983 1 1398 . 1 1 153 153 ASP HA H 1 4.23 0.03 . 1 . . . . . . . . 5983 1 1399 . 1 1 153 153 ASP CB C 13 40.56 0.25 . 1 . . . . . . . . 5983 1 1400 . 1 1 153 153 ASP HB2 H 1 2.71 0.03 . 2 . . . . . . . . 5983 1 1401 . 1 1 153 153 ASP C C 13 177.56 0.25 . 1 . . . . . . . . 5983 1 1402 . 1 1 154 154 ALA N N 15 119.20 0.15 . 1 . . . . . . . . 5983 1 1403 . 1 1 154 154 ALA H H 1 7.87 0.03 . 1 . . . . . . . . 5983 1 1404 . 1 1 154 154 ALA CA C 13 54.60 0.25 . 1 . . . . . . . . 5983 1 1405 . 1 1 154 154 ALA HA H 1 3.98 0.03 . 1 . . . . . . . . 5983 1 1406 . 1 1 154 154 ALA CB C 13 17.59 0.25 . 1 . . . . . . . . 5983 1 1407 . 1 1 154 154 ALA HB1 H 1 1.44 0.03 . 1 . . . . . . . . 5983 1 1408 . 1 1 154 154 ALA HB2 H 1 1.44 0.03 . 1 . . . . . . . . 5983 1 1409 . 1 1 154 154 ALA HB3 H 1 1.44 0.03 . 1 . . . . . . . . 5983 1 1410 . 1 1 154 154 ALA C C 13 179.96 0.25 . 1 . . . . . . . . 5983 1 1411 . 1 1 155 155 TYR N N 15 120.82 0.15 . 1 . . . . . . . . 5983 1 1412 . 1 1 155 155 TYR H H 1 7.97 0.03 . 1 . . . . . . . . 5983 1 1413 . 1 1 155 155 TYR CA C 13 62.74 0.25 . 1 . . . . . . . . 5983 1 1414 . 1 1 155 155 TYR HA H 1 3.76 0.03 . 1 . . . . . . . . 5983 1 1415 . 1 1 155 155 TYR CB C 13 39.79 0.25 . 1 . . . . . . . . 5983 1 1416 . 1 1 155 155 TYR HB2 H 1 2.51 0.03 . 2 . . . . . . . . 5983 1 1417 . 1 1 155 155 TYR C C 13 177.26 0.25 . 1 . . . . . . . . 5983 1 1418 . 1 1 156 156 LEU N N 15 121.18 0.15 . 1 . . . . . . . . 5983 1 1419 . 1 1 156 156 LEU H H 1 8.77 0.03 . 1 . . . . . . . . 5983 1 1420 . 1 1 156 156 LEU CA C 13 57.37 0.25 . 1 . . . . . . . . 5983 1 1421 . 1 1 156 156 LEU HA H 1 3.81 0.03 . 1 . . . . . . . . 5983 1 1422 . 1 1 156 156 LEU CB C 13 40.68 0.25 . 1 . . . . . . . . 5983 1 1423 . 1 1 156 156 LEU HB3 H 1 1.81 0.03 . 2 . . . . . . . . 5983 1 1424 . 1 1 156 156 LEU HB2 H 1 1.57 0.03 . 2 . . . . . . . . 5983 1 1425 . 1 1 156 156 LEU CG C 13 27.96 0.25 . 1 . . . . . . . . 5983 1 1426 . 1 1 156 156 LEU C C 13 178.60 0.25 . 1 . . . . . . . . 5983 1 1427 . 1 1 157 157 LYS N N 15 117.10 0.15 . 1 . . . . . . . . 5983 1 1428 . 1 1 157 157 LYS H H 1 7.44 0.03 . 1 . . . . . . . . 5983 1 1429 . 1 1 157 157 LYS CA C 13 60.10 0.25 . 1 . . . . . . . . 5983 1 1430 . 1 1 157 157 LYS HA H 1 3.81 0.03 . 1 . . . . . . . . 5983 1 1431 . 1 1 157 157 LYS CB C 13 32.00 0.25 . 1 . . . . . . . . 5983 1 1432 . 1 1 157 157 LYS HB2 H 1 1.74 0.03 . 2 . . . . . . . . 5983 1 1433 . 1 1 157 157 LYS CG C 13 25.53 0.25 . 1 . . . . . . . . 5983 1 1434 . 1 1 157 157 LYS HG2 H 1 1.37 0.03 . 2 . . . . . . . . 5983 1 1435 . 1 1 157 157 LYS C C 13 178.65 0.25 . 1 . . . . . . . . 5983 1 1436 . 1 1 158 158 ARG N N 15 119.88 0.15 . 1 . . . . . . . . 5983 1 1437 . 1 1 158 158 ARG H H 1 7.36 0.03 . 1 . . . . . . . . 5983 1 1438 . 1 1 158 158 ARG CA C 13 59.35 0.25 . 1 . . . . . . . . 5983 1 1439 . 1 1 158 158 ARG HA H 1 3.99 0.03 . 1 . . . . . . . . 5983 1 1440 . 1 1 158 158 ARG CB C 13 30.15 0.25 . 1 . . . . . . . . 5983 1 1441 . 1 1 158 158 ARG HB2 H 1 1.63 0.03 . 2 . . . . . . . . 5983 1 1442 . 1 1 158 158 ARG C C 13 178.78 0.25 . 1 . . . . . . . . 5983 1 1443 . 1 1 159 159 CYS N N 15 120.07 0.15 . 1 . . . . . . . . 5983 1 1444 . 1 1 159 159 CYS H H 1 8.50 0.03 . 1 . . . . . . . . 5983 1 1445 . 1 1 159 159 CYS CA C 13 63.10 0.25 . 1 . . . . . . . . 5983 1 1446 . 1 1 159 159 CYS HA H 1 3.85 0.03 . 1 . . . . . . . . 5983 1 1447 . 1 1 159 159 CYS CB C 13 26.25 0.25 . 1 . . . . . . . . 5983 1 1448 . 1 1 159 159 CYS HB3 H 1 2.50 0.03 . 2 . . . . . . . . 5983 1 1449 . 1 1 159 159 CYS HB2 H 1 2.94 0.03 . 2 . . . . . . . . 5983 1 1450 . 1 1 159 159 CYS C C 13 176.43 0.25 . 1 . . . . . . . . 5983 1 1451 . 1 1 160 160 LEU N N 15 117.89 0.15 . 1 . . . . . . . . 5983 1 1452 . 1 1 160 160 LEU H H 1 7.97 0.03 . 1 . . . . . . . . 5983 1 1453 . 1 1 160 160 LEU CA C 13 57.00 0.25 . 1 . . . . . . . . 5983 1 1454 . 1 1 160 160 LEU HA H 1 4.05 0.03 . 1 . . . . . . . . 5983 1 1455 . 1 1 160 160 LEU CB C 13 41.08 0.25 . 1 . . . . . . . . 5983 1 1456 . 1 1 160 160 LEU HB3 H 1 1.40 0.03 . 2 . . . . . . . . 5983 1 1457 . 1 1 160 160 LEU HB2 H 1 1.55 0.03 . 2 . . . . . . . . 5983 1 1458 . 1 1 160 160 LEU CG C 13 26.90 0.25 . 1 . . . . . . . . 5983 1 1459 . 1 1 160 160 LEU HG H 1 1.77 0.03 . 1 . . . . . . . . 5983 1 1460 . 1 1 160 160 LEU CD1 C 13 24.27 0.25 . 1 . . . . . . . . 5983 1 1461 . 1 1 160 160 LEU HD11 H 1 0.88 0.03 . 2 . . . . . . . . 5983 1 1462 . 1 1 160 160 LEU HD12 H 1 0.88 0.03 . 2 . . . . . . . . 5983 1 1463 . 1 1 160 160 LEU HD13 H 1 0.88 0.03 . 2 . . . . . . . . 5983 1 1464 . 1 1 160 160 LEU CD2 C 13 22.87 0.25 . 1 . . . . . . . . 5983 1 1465 . 1 1 160 160 LEU HD21 H 1 0.81 0.03 . 2 . . . . . . . . 5983 1 1466 . 1 1 160 160 LEU HD22 H 1 0.81 0.03 . 2 . . . . . . . . 5983 1 1467 . 1 1 160 160 LEU HD23 H 1 0.81 0.03 . 2 . . . . . . . . 5983 1 1468 . 1 1 160 160 LEU C C 13 177.84 0.25 . 1 . . . . . . . . 5983 1 1469 . 1 1 161 161 GLN N N 15 114.87 0.15 . 1 . . . . . . . . 5983 1 1470 . 1 1 161 161 GLN H H 1 7.33 0.03 . 1 . . . . . . . . 5983 1 1471 . 1 1 161 161 GLN CA C 13 56.60 0.25 . 1 . . . . . . . . 5983 1 1472 . 1 1 161 161 GLN HA H 1 4.04 0.03 . 1 . . . . . . . . 5983 1 1473 . 1 1 161 161 GLN CB C 13 28.90 0.25 . 1 . . . . . . . . 5983 1 1474 . 1 1 161 161 GLN HB2 H 1 1.90 0.03 . 2 . . . . . . . . 5983 1 1475 . 1 1 161 161 GLN CG C 13 33.74 0.25 . 1 . . . . . . . . 5983 1 1476 . 1 1 161 161 GLN HG3 H 1 2.33 0.03 . 2 . . . . . . . . 5983 1 1477 . 1 1 161 161 GLN HG2 H 1 2.17 0.03 . 2 . . . . . . . . 5983 1 1478 . 1 1 161 161 GLN C C 13 176.20 0.25 . 1 . . . . . . . . 5983 1 1479 . 1 1 162 162 HIS N N 15 115.35 0.15 . 1 . . . . . . . . 5983 1 1480 . 1 1 162 162 HIS H H 1 7.73 0.03 . 1 . . . . . . . . 5983 1 1481 . 1 1 162 162 HIS CA C 13 56.69 0.25 . 1 . . . . . . . . 5983 1 1482 . 1 1 162 162 HIS HA H 1 4.52 0.03 . 1 . . . . . . . . 5983 1 1483 . 1 1 162 162 HIS CB C 13 31.45 0.25 . 1 . . . . . . . . 5983 1 1484 . 1 1 162 162 HIS HB2 H 1 3.29 0.03 . 2 . . . . . . . . 5983 1 1485 . 1 1 162 162 HIS C C 13 173.22 0.25 . 1 . . . . . . . . 5983 1 1486 . 1 1 163 163 GLN N N 15 117.02 0.15 . 1 . . . . . . . . 5983 1 1487 . 1 1 163 163 GLN H H 1 7.81 0.03 . 1 . . . . . . . . 5983 1 1488 . 1 1 163 163 GLN CA C 13 54.80 0.25 . 1 . . . . . . . . 5983 1 1489 . 1 1 163 163 GLN HA H 1 4.55 0.03 . 1 . . . . . . . . 5983 1 1490 . 1 1 163 163 GLN CB C 13 31.45 0.25 . 1 . . . . . . . . 5983 1 1491 . 1 1 163 163 GLN HB3 H 1 2.16 0.03 . 2 . . . . . . . . 5983 1 1492 . 1 1 163 163 GLN HB2 H 1 1.85 0.03 . 2 . . . . . . . . 5983 1 1493 . 1 1 163 163 GLN CG C 13 33.34 0.25 . 1 . . . . . . . . 5983 1 1494 . 1 1 163 163 GLN HG2 H 1 2.20 0.03 . 2 . . . . . . . . 5983 1 1495 . 1 1 163 163 GLN C C 13 174.40 0.25 . 1 . . . . . . . . 5983 1 1496 . 1 1 164 164 GLU N N 15 120.69 0.15 . 1 . . . . . . . . 5983 1 1497 . 1 1 164 164 GLU H H 1 8.48 0.03 . 1 . . . . . . . . 5983 1 1498 . 1 1 164 164 GLU CA C 13 58.55 0.25 . 1 . . . . . . . . 5983 1 1499 . 1 1 164 164 GLU HA H 1 4.52 0.03 . 1 . . . . . . . . 5983 1 1500 . 1 1 164 164 GLU CB C 13 30.15 0.25 . 1 . . . . . . . . 5983 1 1501 . 1 1 164 164 GLU HB3 H 1 2.22 0.03 . 2 . . . . . . . . 5983 1 1502 . 1 1 164 164 GLU HB2 H 1 1.96 0.03 . 2 . . . . . . . . 5983 1 1503 . 1 1 164 164 GLU CG C 13 36.22 0.25 . 1 . . . . . . . . 5983 1 1504 . 1 1 164 164 GLU HG3 H 1 2.24 0.03 . 2 . . . . . . . . 5983 1 1505 . 1 1 164 164 GLU HG2 H 1 2.19 0.03 . 2 . . . . . . . . 5983 1 1506 . 1 1 164 164 GLU C C 13 176.13 0.25 . 1 . . . . . . . . 5983 1 1507 . 1 1 165 165 VAL N N 15 118.01 0.15 . 1 . . . . . . . . 5983 1 1508 . 1 1 165 165 VAL H H 1 7.86 0.03 . 1 . . . . . . . . 5983 1 1509 . 1 1 165 165 VAL CA C 13 60.40 0.25 . 1 . . . . . . . . 5983 1 1510 . 1 1 165 165 VAL HA H 1 4.10 0.03 . 1 . . . . . . . . 5983 1 1511 . 1 1 165 165 VAL CB C 13 33.30 0.25 . 1 . . . . . . . . 5983 1 1512 . 1 1 165 165 VAL HB H 1 1.90 0.03 . 1 . . . . . . . . 5983 1 1513 . 1 1 165 165 VAL CG2 C 13 20.67 0.25 . 1 . . . . . . . . 5983 1 1514 . 1 1 165 165 VAL HG21 H 1 0.85 0.03 . 2 . . . . . . . . 5983 1 1515 . 1 1 165 165 VAL HG22 H 1 0.85 0.03 . 2 . . . . . . . . 5983 1 1516 . 1 1 165 165 VAL HG23 H 1 0.85 0.03 . 2 . . . . . . . . 5983 1 1517 . 1 1 165 165 VAL CG1 C 13 20.89 0.25 . 1 . . . . . . . . 5983 1 1518 . 1 1 165 165 VAL HG11 H 1 0.92 0.03 . 2 . . . . . . . . 5983 1 1519 . 1 1 165 165 VAL HG12 H 1 0.92 0.03 . 2 . . . . . . . . 5983 1 1520 . 1 1 165 165 VAL HG13 H 1 0.92 0.03 . 2 . . . . . . . . 5983 1 1521 . 1 1 165 165 VAL C C 13 174.54 0.25 . 1 . . . . . . . . 5983 1 1522 . 1 1 166 166 LYS N N 15 127.14 0.15 . 1 . . . . . . . . 5983 1 1523 . 1 1 166 166 LYS H H 1 8.53 0.03 . 1 . . . . . . . . 5983 1 1524 . 1 1 166 166 LYS CA C 13 54.57 0.25 . 1 . . . . . . . . 5983 1 1525 . 1 1 166 166 LYS HA H 1 4.11 0.03 . 1 . . . . . . . . 5983 1 1526 . 1 1 166 166 LYS CB C 13 31.40 0.25 . 1 . . . . . . . . 5983 1 1527 . 1 1 166 166 LYS HB2 H 1 1.73 0.03 . 2 . . . . . . . . 5983 1 1528 . 1 1 166 166 LYS CG C 13 23.20 0.25 . 1 . . . . . . . . 5983 1 1529 . 1 1 166 166 LYS HG3 H 1 1.33 0.03 . 2 . . . . . . . . 5983 1 1530 . 1 1 166 166 LYS HG2 H 1 1.52 0.03 . 2 . . . . . . . . 5983 1 1531 . 1 1 166 166 LYS CD C 13 29.25 0.25 . 1 . . . . . . . . 5983 1 1532 . 1 1 166 166 LYS HD2 H 1 1.64 0.03 . 2 . . . . . . . . 5983 1 1533 . 1 1 166 166 LYS CE C 13 41.68 0.25 . 1 . . . . . . . . 5983 1 1534 . 1 1 166 166 LYS HE3 H 1 2.75 0.03 . 2 . . . . . . . . 5983 1 1535 . 1 1 166 166 LYS HE2 H 1 2.96 0.03 . 2 . . . . . . . . 5983 1 1536 . 1 1 167 167 PRO N N 15 172.91 0.15 . 1 . . . . . . . . 5983 1 1537 . 1 1 167 167 PRO CA C 13 62.30 0.25 . 1 . . . . . . . . 5983 1 1538 . 1 1 167 167 PRO HA H 1 4.33 0.03 . 1 . . . . . . . . 5983 1 1539 . 1 1 167 167 PRO CB C 13 31.00 0.25 . 1 . . . . . . . . 5983 1 1540 . 1 1 167 167 PRO HB2 H 1 2.05 0.03 . 2 . . . . . . . . 5983 1 1541 . 1 1 167 167 PRO CG C 13 27.20 0.25 . 1 . . . . . . . . 5983 1 1542 . 1 1 167 167 PRO HG3 H 1 1.98 0.03 . 2 . . . . . . . . 5983 1 1543 . 1 1 167 167 PRO HG2 H 1 1.80 0.03 . 2 . . . . . . . . 5983 1 1544 . 1 1 167 167 PRO CD C 13 49.73 0.25 . 1 . . . . . . . . 5983 1 1545 . 1 1 167 167 PRO HD3 H 1 3.39 0.03 . 2 . . . . . . . . 5983 1 1546 . 1 1 167 167 PRO HD2 H 1 3.56 0.03 . 2 . . . . . . . . 5983 1 1547 . 1 1 167 167 PRO C C 13 175.10 0.25 . 1 . . . . . . . . 5983 1 1548 . 1 1 168 168 TYR N N 15 126.20 0.15 . 1 . . . . . . . . 5983 1 1549 . 1 1 168 168 TYR H H 1 8.01 0.03 . 1 . . . . . . . . 5983 1 1550 . 1 1 168 168 TYR CA C 13 58.73 0.25 . 1 . . . . . . . . 5983 1 1551 . 1 1 168 168 TYR HA H 1 4.52 0.03 . 1 . . . . . . . . 5983 1 1552 . 1 1 168 168 TYR CB C 13 38.87 0.25 . 1 . . . . . . . . 5983 1 1553 . 1 1 168 168 TYR HB3 H 1 3.01 0.03 . 2 . . . . . . . . 5983 1 1554 . 1 1 168 168 TYR HB2 H 1 2.71 0.03 . 2 . . . . . . . . 5983 1 1555 . 1 1 168 168 TYR C C 13 175.23 0.25 . 1 . . . . . . . . 5983 1 1556 . 1 1 169 169 THR N N 15 119.31 0.15 . 1 . . . . . . . . 5983 1 1557 . 1 1 169 169 THR H H 1 8.87 0.03 . 1 . . . . . . . . 5983 1 1558 . 1 1 169 169 THR CA C 13 58.56 0.25 . 1 . . . . . . . . 5983 1 1559 . 1 1 169 169 THR HA H 1 5.04 0.03 . 1 . . . . . . . . 5983 1 1560 . 1 1 169 169 THR CB C 13 70.98 0.25 . 1 . . . . . . . . 5983 1 1561 . 1 1 169 169 THR HB H 1 3.83 0.03 . 1 . . . . . . . . 5983 1 1562 . 1 1 169 169 THR CG2 C 13 23.17 0.25 . 1 . . . . . . . . 5983 1 1563 . 1 1 169 169 THR HG21 H 1 1.08 0.03 . 1 . . . . . . . . 5983 1 1564 . 1 1 169 169 THR HG22 H 1 1.08 0.03 . 1 . . . . . . . . 5983 1 1565 . 1 1 169 169 THR HG23 H 1 1.08 0.03 . 1 . . . . . . . . 5983 1 1566 . 1 1 169 169 THR C C 13 171.27 0.25 . 1 . . . . . . . . 5983 1 1567 . 1 1 170 170 LEU N N 15 125.19 0.15 . 1 . . . . . . . . 5983 1 1568 . 1 1 170 170 LEU H H 1 7.83 0.03 . 1 . . . . . . . . 5983 1 1569 . 1 1 170 170 LEU CA C 13 52.09 0.25 . 1 . . . . . . . . 5983 1 1570 . 1 1 170 170 LEU HA H 1 4.90 0.03 . 1 . . . . . . . . 5983 1 1571 . 1 1 170 170 LEU CB C 13 46.76 0.25 . 1 . . . . . . . . 5983 1 1572 . 1 1 170 170 LEU HB3 H 1 0.80 0.03 . 2 . . . . . . . . 5983 1 1573 . 1 1 170 170 LEU HB2 H 1 1.07 0.03 . 2 . . . . . . . . 5983 1 1574 . 1 1 170 170 LEU CG C 13 26.85 0.25 . 1 . . . . . . . . 5983 1 1575 . 1 1 170 170 LEU HG H 1 0.69 0.03 . 1 . . . . . . . . 5983 1 1576 . 1 1 170 170 LEU CD1 C 13 25.64 0.25 . 1 . . . . . . . . 5983 1 1577 . 1 1 170 170 LEU HD11 H 1 0.45 0.03 . 2 . . . . . . . . 5983 1 1578 . 1 1 170 170 LEU HD12 H 1 0.45 0.03 . 2 . . . . . . . . 5983 1 1579 . 1 1 170 170 LEU HD13 H 1 0.45 0.03 . 2 . . . . . . . . 5983 1 1580 . 1 1 170 170 LEU CD2 C 13 24.70 0.25 . 1 . . . . . . . . 5983 1 1581 . 1 1 170 170 LEU HD21 H 1 0.34 0.03 . 2 . . . . . . . . 5983 1 1582 . 1 1 170 170 LEU HD22 H 1 0.34 0.03 . 2 . . . . . . . . 5983 1 1583 . 1 1 170 170 LEU HD23 H 1 0.34 0.03 . 2 . . . . . . . . 5983 1 1584 . 1 1 170 170 LEU C C 13 174.50 0.25 . 1 . . . . . . . . 5983 1 1585 . 1 1 171 171 ALA N N 15 126.39 0.15 . 1 . . . . . . . . 5983 1 1586 . 1 1 171 171 ALA H H 1 8.70 0.03 . 1 . . . . . . . . 5983 1 1587 . 1 1 171 171 ALA CA C 13 49.83 0.25 . 1 . . . . . . . . 5983 1 1588 . 1 1 171 171 ALA HA H 1 4.86 0.03 . 1 . . . . . . . . 5983 1 1589 . 1 1 171 171 ALA CB C 13 23.15 0.25 . 1 . . . . . . . . 5983 1 1590 . 1 1 171 171 ALA HB1 H 1 0.78 0.03 . 1 . . . . . . . . 5983 1 1591 . 1 1 171 171 ALA HB2 H 1 0.78 0.03 . 1 . . . . . . . . 5983 1 1592 . 1 1 171 171 ALA HB3 H 1 0.78 0.03 . 1 . . . . . . . . 5983 1 1593 . 1 1 171 171 ALA C C 13 174.30 0.25 . 1 . . . . . . . . 5983 1 1594 . 1 1 172 172 LEU N N 15 121.15 0.15 . 1 . . . . . . . . 5983 1 1595 . 1 1 172 172 LEU H H 1 8.63 0.03 . 1 . . . . . . . . 5983 1 1596 . 1 1 172 172 LEU CA C 13 53.60 0.25 . 1 . . . . . . . . 5983 1 1597 . 1 1 172 172 LEU HA H 1 4.29 0.03 . 1 . . . . . . . . 5983 1 1598 . 1 1 172 172 LEU CB C 13 42.38 0.25 . 1 . . . . . . . . 5983 1 1599 . 1 1 172 172 LEU HB2 H 1 1.55 0.03 . 2 . . . . . . . . 5983 1 1600 . 1 1 172 172 LEU CG C 13 26.60 0.25 . 1 . . . . . . . . 5983 1 1601 . 1 1 172 172 LEU HG H 1 1.58 0.03 . 1 . . . . . . . . 5983 1 1602 . 1 1 172 172 LEU C C 13 172.88 0.25 . 1 . . . . . . . . 5983 1 1603 . 1 1 173 173 ALA N N 15 125.76 0.15 . 1 . . . . . . . . 5983 1 1604 . 1 1 173 173 ALA H H 1 8.34 0.03 . 1 . . . . . . . . 5983 1 1605 . 1 1 173 173 ALA CA C 13 49.64 0.25 . 1 . . . . . . . . 5983 1 1606 . 1 1 173 173 ALA HA H 1 4.56 0.03 . 1 . . . . . . . . 5983 1 1607 . 1 1 173 173 ALA CB C 13 22.63 0.25 . 1 . . . . . . . . 5983 1 1608 . 1 1 173 173 ALA HB1 H 1 0.92 0.03 . 1 . . . . . . . . 5983 1 1609 . 1 1 173 173 ALA HB2 H 1 0.92 0.03 . 1 . . . . . . . . 5983 1 1610 . 1 1 173 173 ALA HB3 H 1 0.92 0.03 . 1 . . . . . . . . 5983 1 1611 . 1 1 173 173 ALA C C 13 176.70 0.25 . 1 . . . . . . . . 5983 1 1612 . 1 1 174 174 PHE N N 15 118.81 0.15 . 1 . . . . . . . . 5983 1 1613 . 1 1 174 174 PHE H H 1 8.95 0.03 . 1 . . . . . . . . 5983 1 1614 . 1 1 174 174 PHE CA C 13 57.43 0.25 . 1 . . . . . . . . 5983 1 1615 . 1 1 174 174 PHE HA H 1 4.82 0.03 . 1 . . . . . . . . 5983 1 1616 . 1 1 174 174 PHE CB C 13 39.20 0.25 . 1 . . . . . . . . 5983 1 1617 . 1 1 174 174 PHE HB3 H 1 2.60 0.03 . 2 . . . . . . . . 5983 1 1618 . 1 1 174 174 PHE HB2 H 1 3.95 0.03 . 2 . . . . . . . . 5983 1 1619 . 1 1 174 174 PHE C C 13 178.10 0.25 . 1 . . . . . . . . 5983 1 1620 . 1 1 175 175 LYS N N 15 126.03 0.15 . 1 . . . . . . . . 5983 1 1621 . 1 1 175 175 LYS H H 1 9.62 0.03 . 1 . . . . . . . . 5983 1 1622 . 1 1 175 175 LYS CA C 13 60.20 0.25 . 1 . . . . . . . . 5983 1 1623 . 1 1 175 175 LYS CB C 13 31.00 0.25 . 1 . . . . . . . . 5983 1 1624 . 1 1 175 175 LYS C C 13 179.06 0.25 . 1 . . . . . . . . 5983 1 1625 . 1 1 176 176 GLU N N 15 119.90 0.15 . 1 . . . . . . . . 5983 1 1626 . 1 1 176 176 GLU H H 1 10.65 0.03 . 1 . . . . . . . . 5983 1 1627 . 1 1 176 176 GLU CA C 13 59.70 0.25 . 1 . . . . . . . . 5983 1 1628 . 1 1 176 176 GLU HA H 1 4.08 0.03 . 1 . . . . . . . . 5983 1 1629 . 1 1 176 176 GLU CB C 13 29.71 0.25 . 1 . . . . . . . . 5983 1 1630 . 1 1 176 176 GLU HB2 H 1 1.81 0.03 . 2 . . . . . . . . 5983 1 1631 . 1 1 176 176 GLU CG C 13 35.99 0.25 . 1 . . . . . . . . 5983 1 1632 . 1 1 176 176 GLU HG2 H 1 2.14 0.03 . 2 . . . . . . . . 5983 1 1633 . 1 1 176 176 GLU C C 13 176.07 0.25 . 1 . . . . . . . . 5983 1 1634 . 1 1 177 177 GLN N N 15 113.98 0.15 . 1 . . . . . . . . 5983 1 1635 . 1 1 177 177 GLN H H 1 7.93 0.03 . 1 . . . . . . . . 5983 1 1636 . 1 1 177 177 GLN CA C 13 55.42 0.25 . 1 . . . . . . . . 5983 1 1637 . 1 1 177 177 GLN HA H 1 4.37 0.03 . 1 . . . . . . . . 5983 1 1638 . 1 1 177 177 GLN CB C 13 30.94 0.25 . 1 . . . . . . . . 5983 1 1639 . 1 1 177 177 GLN HB2 H 1 1.99 0.03 . 2 . . . . . . . . 5983 1 1640 . 1 1 177 177 GLN CG C 13 36.37 0.25 . 1 . . . . . . . . 5983 1 1641 . 1 1 177 177 GLN HG2 H 1 2.06 0.03 . 2 . . . . . . . . 5983 1 1642 . 1 1 177 177 GLN C C 13 173.24 0.25 . 1 . . . . . . . . 5983 1 1643 . 1 1 178 178 ILE N N 15 120.01 0.15 . 1 . . . . . . . . 5983 1 1644 . 1 1 178 178 ILE H H 1 7.13 0.03 . 1 . . . . . . . . 5983 1 1645 . 1 1 178 178 ILE CA C 13 57.78 0.25 . 1 . . . . . . . . 5983 1 1646 . 1 1 178 178 ILE HA H 1 4.44 0.03 . 1 . . . . . . . . 5983 1 1647 . 1 1 178 178 ILE CB C 13 33.65 0.25 . 1 . . . . . . . . 5983 1 1648 . 1 1 178 178 ILE HB H 1 1.70 0.03 . 1 . . . . . . . . 5983 1 1649 . 1 1 178 178 ILE CG1 C 13 24.27 0.25 . 2 . . . . . . . . 5983 1 1650 . 1 1 178 178 ILE HG13 H 1 1.60 0.03 . 1 . . . . . . . . 5983 1 1651 . 1 1 178 178 ILE HG12 H 1 1.26 0.03 . 1 . . . . . . . . 5983 1 1652 . 1 1 178 178 ILE CD1 C 13 9.18 0.25 . 1 . . . . . . . . 5983 1 1653 . 1 1 178 178 ILE HD11 H 1 0.10 0.03 . 1 . . . . . . . . 5983 1 1654 . 1 1 178 178 ILE HD12 H 1 0.10 0.03 . 1 . . . . . . . . 5983 1 1655 . 1 1 178 178 ILE HD13 H 1 0.10 0.03 . 1 . . . . . . . . 5983 1 1656 . 1 1 178 178 ILE CG2 C 13 16.44 0.25 . 1 . . . . . . . . 5983 1 1657 . 1 1 178 178 ILE HG21 H 1 0.30 0.03 . 1 . . . . . . . . 5983 1 1658 . 1 1 178 178 ILE HG22 H 1 0.30 0.03 . 1 . . . . . . . . 5983 1 1659 . 1 1 178 178 ILE HG23 H 1 0.30 0.03 . 1 . . . . . . . . 5983 1 1660 . 1 1 178 178 ILE C C 13 176.09 0.25 . 1 . . . . . . . . 5983 1 1661 . 1 1 179 179 CYS N N 15 127.50 0.15 . 1 . . . . . . . . 5983 1 1662 . 1 1 179 179 CYS H H 1 8.99 0.03 . 1 . . . . . . . . 5983 1 1663 . 1 1 179 179 CYS CA C 13 56.10 0.25 . 1 . . . . . . . . 5983 1 1664 . 1 1 179 179 CYS HA H 1 4.63 0.03 . 1 . . . . . . . . 5983 1 1665 . 1 1 179 179 CYS CB C 13 30.40 0.25 . 1 . . . . . . . . 5983 1 1666 . 1 1 179 179 CYS HB3 H 1 2.51 0.03 . 2 . . . . . . . . 5983 1 1667 . 1 1 179 179 CYS HB2 H 1 2.85 0.03 . 2 . . . . . . . . 5983 1 1668 . 1 1 179 179 CYS C C 13 173.52 0.25 . 1 . . . . . . . . 5983 1 1669 . 1 1 180 180 LEU N N 15 123.40 0.15 . 1 . . . . . . . . 5983 1 1670 . 1 1 180 180 LEU H H 1 8.61 0.03 . 1 . . . . . . . . 5983 1 1671 . 1 1 180 180 LEU CA C 13 57.86 0.25 . 1 . . . . . . . . 5983 1 1672 . 1 1 180 180 LEU HA H 1 3.97 0.03 . 1 . . . . . . . . 5983 1 1673 . 1 1 180 180 LEU CB C 13 41.60 0.25 . 1 . . . . . . . . 5983 1 1674 . 1 1 180 180 LEU HB2 H 1 1.56 0.03 . 2 . . . . . . . . 5983 1 1675 . 1 1 180 180 LEU CG C 13 26.89 0.25 . 1 . . . . . . . . 5983 1 1676 . 1 1 180 180 LEU HG H 1 1.58 0.03 . 1 . . . . . . . . 5983 1 1677 . 1 1 180 180 LEU CD1 C 13 25.08 0.25 . 1 . . . . . . . . 5983 1 1678 . 1 1 180 180 LEU HD11 H 1 0.53 0.03 . 2 . . . . . . . . 5983 1 1679 . 1 1 180 180 LEU HD12 H 1 0.53 0.03 . 2 . . . . . . . . 5983 1 1680 . 1 1 180 180 LEU HD13 H 1 0.53 0.03 . 2 . . . . . . . . 5983 1 1681 . 1 1 180 180 LEU CD2 C 13 23.90 0.25 . 1 . . . . . . . . 5983 1 1682 . 1 1 180 180 LEU HD21 H 1 0.97 0.03 . 2 . . . . . . . . 5983 1 1683 . 1 1 180 180 LEU HD22 H 1 0.97 0.03 . 2 . . . . . . . . 5983 1 1684 . 1 1 180 180 LEU HD23 H 1 0.97 0.03 . 2 . . . . . . . . 5983 1 1685 . 1 1 180 180 LEU C C 13 177.27 0.25 . 1 . . . . . . . . 5983 1 1686 . 1 1 181 181 GLN N N 15 113.55 0.15 . 1 . . . . . . . . 5983 1 1687 . 1 1 181 181 GLN H H 1 7.53 0.03 . 1 . . . . . . . . 5983 1 1688 . 1 1 181 181 GLN CA C 13 54.80 0.25 . 1 . . . . . . . . 5983 1 1689 . 1 1 181 181 GLN HA H 1 4.57 0.03 . 1 . . . . . . . . 5983 1 1690 . 1 1 181 181 GLN CB C 13 31.20 0.25 . 1 . . . . . . . . 5983 1 1691 . 1 1 181 181 GLN HB3 H 1 2.20 0.03 . 2 . . . . . . . . 5983 1 1692 . 1 1 181 181 GLN HB2 H 1 1.88 0.03 . 2 . . . . . . . . 5983 1 1693 . 1 1 181 181 GLN CG C 13 33.23 0.25 . 1 . . . . . . . . 5983 1 1694 . 1 1 181 181 GLN HG3 H 1 2.04 0.03 . 2 . . . . . . . . 5983 1 1695 . 1 1 181 181 GLN HG2 H 1 2.21 0.03 . 2 . . . . . . . . 5983 1 1696 . 1 1 181 181 GLN C C 13 174.10 0.25 . 1 . . . . . . . . 5983 1 1697 . 1 1 182 182 VAL N N 15 126.78 0.15 . 1 . . . . . . . . 5983 1 1698 . 1 1 182 182 VAL H H 1 9.30 0.03 . 1 . . . . . . . . 5983 1 1699 . 1 1 182 182 VAL CA C 13 59.10 0.25 . 1 . . . . . . . . 5983 1 1700 . 1 1 182 182 VAL HA H 1 4.13 0.03 . 1 . . . . . . . . 5983 1 1701 . 1 1 182 182 VAL CB C 13 32.70 0.25 . 1 . . . . . . . . 5983 1 1702 . 1 1 182 182 VAL HB H 1 1.63 0.03 . 1 . . . . . . . . 5983 1 1703 . 1 1 182 182 VAL CG2 C 13 21.10 0.25 . 1 . . . . . . . . 5983 1 1704 . 1 1 182 182 VAL HG21 H 1 0.43 0.03 . 2 . . . . . . . . 5983 1 1705 . 1 1 182 182 VAL HG22 H 1 0.43 0.03 . 2 . . . . . . . . 5983 1 1706 . 1 1 182 182 VAL HG23 H 1 0.43 0.03 . 2 . . . . . . . . 5983 1 1707 . 1 1 182 182 VAL C C 13 172.30 0.25 . 1 . . . . . . . . 5983 1 1708 . 1 1 183 183 PRO CA C 13 62.39 0.25 . 1 . . . . . . . . 5983 1 1709 . 1 1 183 183 PRO HA H 1 4.32 0.03 . 1 . . . . . . . . 5983 1 1710 . 1 1 183 183 PRO CB C 13 30.72 0.25 . 1 . . . . . . . . 5983 1 1711 . 1 1 183 183 PRO HB2 H 1 1.80 0.03 . 2 . . . . . . . . 5983 1 1712 . 1 1 183 183 PRO CG C 13 27.18 0.25 . 1 . . . . . . . . 5983 1 1713 . 1 1 183 183 PRO HG2 H 1 1.81 0.03 . 2 . . . . . . . . 5983 1 1714 . 1 1 183 183 PRO CD C 13 50.80 0.25 . 1 . . . . . . . . 5983 1 1715 . 1 1 183 183 PRO HD3 H 1 3.54 0.03 . 2 . . . . . . . . 5983 1 1716 . 1 1 183 183 PRO HD2 H 1 3.64 0.03 . 2 . . . . . . . . 5983 1 1717 . 1 1 183 183 PRO C C 13 175.22 0.25 . 1 . . . . . . . . 5983 1 1718 . 1 1 184 184 VAL N N 15 118.84 0.15 . 1 . . . . . . . . 5983 1 1719 . 1 1 184 184 VAL H H 1 7.91 0.03 . 1 . . . . . . . . 5983 1 1720 . 1 1 184 184 VAL CA C 13 61.02 0.25 . 1 . . . . . . . . 5983 1 1721 . 1 1 184 184 VAL HA H 1 4.16 0.03 . 1 . . . . . . . . 5983 1 1722 . 1 1 184 184 VAL CB C 13 33.85 0.25 . 1 . . . . . . . . 5983 1 1723 . 1 1 184 184 VAL HB H 1 2.11 0.03 . 1 . . . . . . . . 5983 1 1724 . 1 1 184 184 VAL CG2 C 13 21.66 0.25 . 1 . . . . . . . . 5983 1 1725 . 1 1 184 184 VAL HG21 H 1 0.78 0.03 . 2 . . . . . . . . 5983 1 1726 . 1 1 184 184 VAL HG22 H 1 0.78 0.03 . 2 . . . . . . . . 5983 1 1727 . 1 1 184 184 VAL HG23 H 1 0.78 0.03 . 2 . . . . . . . . 5983 1 1728 . 1 1 184 184 VAL CG1 C 13 18.62 0.25 . 1 . . . . . . . . 5983 1 1729 . 1 1 184 184 VAL HG11 H 1 0.72 0.03 . 2 . . . . . . . . 5983 1 1730 . 1 1 184 184 VAL HG12 H 1 0.72 0.03 . 2 . . . . . . . . 5983 1 1731 . 1 1 184 184 VAL HG13 H 1 0.72 0.03 . 2 . . . . . . . . 5983 1 1732 . 1 1 184 184 VAL C C 13 175.61 0.25 . 1 . . . . . . . . 5983 1 1733 . 1 1 185 185 ASN N N 15 121.53 0.15 . 1 . . . . . . . . 5983 1 1734 . 1 1 185 185 ASN H H 1 8.88 0.03 . 1 . . . . . . . . 5983 1 1735 . 1 1 185 185 ASN CA C 13 52.08 0.25 . 1 . . . . . . . . 5983 1 1736 . 1 1 185 185 ASN HA H 1 4.71 0.03 . 1 . . . . . . . . 5983 1 1737 . 1 1 185 185 ASN CB C 13 39.88 0.25 . 1 . . . . . . . . 5983 1 1738 . 1 1 185 185 ASN HB3 H 1 2.56 0.03 . 2 . . . . . . . . 5983 1 1739 . 1 1 185 185 ASN HB2 H 1 2.74 0.03 . 2 . . . . . . . . 5983 1 1740 . 1 1 185 185 ASN C C 13 175.59 0.25 . 1 . . . . . . . . 5983 1 1741 . 1 1 186 186 GLU N N 15 120.59 0.15 . 1 . . . . . . . . 5983 1 1742 . 1 1 186 186 GLU H H 1 8.78 0.03 . 1 . . . . . . . . 5983 1 1743 . 1 1 186 186 GLU CA C 13 58.27 0.25 . 1 . . . . . . . . 5983 1 1744 . 1 1 186 186 GLU HA H 1 3.75 0.03 . 1 . . . . . . . . 5983 1 1745 . 1 1 186 186 GLU CB C 13 29.32 0.25 . 1 . . . . . . . . 5983 1 1746 . 1 1 186 186 GLU HB3 H 1 1.80 0.03 . 2 . . . . . . . . 5983 1 1747 . 1 1 186 186 GLU HB2 H 1 2.04 0.03 . 2 . . . . . . . . 5983 1 1748 . 1 1 186 186 GLU CG C 13 36.06 0.25 . 1 . . . . . . . . 5983 1 1749 . 1 1 186 186 GLU HG3 H 1 2.24 0.03 . 2 . . . . . . . . 5983 1 1750 . 1 1 186 186 GLU HG2 H 1 2.15 0.03 . 2 . . . . . . . . 5983 1 1751 . 1 1 186 186 GLU C C 13 175.83 0.25 . 1 . . . . . . . . 5983 1 1752 . 1 1 187 187 ASN N N 15 116.28 0.15 . 1 . . . . . . . . 5983 1 1753 . 1 1 187 187 ASN H H 1 8.34 0.03 . 1 . . . . . . . . 5983 1 1754 . 1 1 187 187 ASN CA C 13 53.43 0.25 . 1 . . . . . . . . 5983 1 1755 . 1 1 187 187 ASN HA H 1 4.50 0.03 . 1 . . . . . . . . 5983 1 1756 . 1 1 187 187 ASN CB C 13 38.55 0.25 . 1 . . . . . . . . 5983 1 1757 . 1 1 187 187 ASN HB3 H 1 3.08 0.03 . 2 . . . . . . . . 5983 1 1758 . 1 1 187 187 ASN HB2 H 1 2.71 0.03 . 2 . . . . . . . . 5983 1 1759 . 1 1 187 187 ASN C C 13 174.53 0.25 . 1 . . . . . . . . 5983 1 1760 . 1 1 188 188 ASP N N 15 121.44 0.15 . 1 . . . . . . . . 5983 1 1761 . 1 1 188 188 ASP H H 1 7.73 0.03 . 1 . . . . . . . . 5983 1 1762 . 1 1 188 188 ASP CA C 13 54.73 0.25 . 1 . . . . . . . . 5983 1 1763 . 1 1 188 188 ASP HA H 1 4.50 0.03 . 1 . . . . . . . . 5983 1 1764 . 1 1 188 188 ASP CB C 13 41.25 0.25 . 1 . . . . . . . . 5983 1 1765 . 1 1 188 188 ASP HB2 H 1 2.62 0.03 . 2 . . . . . . . . 5983 1 1766 . 1 1 188 188 ASP C C 13 175.48 0.25 . 1 . . . . . . . . 5983 1 1767 . 1 1 189 189 MET N N 15 120.57 0.15 . 1 . . . . . . . . 5983 1 1768 . 1 1 189 189 MET H H 1 8.59 0.03 . 1 . . . . . . . . 5983 1 1769 . 1 1 189 189 MET CA C 13 55.10 0.25 . 1 . . . . . . . . 5983 1 1770 . 1 1 189 189 MET HA H 1 4.38 0.03 . 1 . . . . . . . . 5983 1 1771 . 1 1 189 189 MET CB C 13 33.39 0.25 . 1 . . . . . . . . 5983 1 1772 . 1 1 189 189 MET HB3 H 1 2.02 0.03 . 2 . . . . . . . . 5983 1 1773 . 1 1 189 189 MET HB2 H 1 1.83 0.03 . 2 . . . . . . . . 5983 1 1774 . 1 1 189 189 MET CG C 13 31.20 0.25 . 1 . . . . . . . . 5983 1 1775 . 1 1 189 189 MET HG2 H 1 1.91 0.03 . 2 . . . . . . . . 5983 1 1776 . 1 1 189 189 MET CE C 13 20.77 0.25 . 1 . . . . . . . . 5983 1 1777 . 1 1 189 189 MET HE1 H 1 0.84 0.03 . 1 . . . . . . . . 5983 1 1778 . 1 1 189 189 MET HE2 H 1 0.84 0.03 . 1 . . . . . . . . 5983 1 1779 . 1 1 189 189 MET HE3 H 1 0.84 0.03 . 1 . . . . . . . . 5983 1 1780 . 1 1 189 189 MET C C 13 175.14 0.25 . 1 . . . . . . . . 5983 1 1781 . 1 1 190 190 LYS N N 15 125.01 0.15 . 1 . . . . . . . . 5983 1 1782 . 1 1 190 190 LYS H H 1 8.26 0.03 . 1 . . . . . . . . 5983 1 1783 . 1 1 190 190 LYS CA C 13 55.29 0.25 . 1 . . . . . . . . 5983 1 1784 . 1 1 190 190 LYS HA H 1 4.45 0.03 . 1 . . . . . . . . 5983 1 1785 . 1 1 190 190 LYS CB C 13 33.99 0.25 . 1 . . . . . . . . 5983 1 1786 . 1 1 190 190 LYS HB3 H 1 1.95 0.03 . 2 . . . . . . . . 5983 1 1787 . 1 1 190 190 LYS HB2 H 1 1.89 0.03 . 2 . . . . . . . . 5983 1 1788 . 1 1 190 190 LYS CG C 13 21.69 0.25 . 1 . . . . . . . . 5983 1 1789 . 1 1 190 190 LYS HG2 H 1 0.78 0.03 . 2 . . . . . . . . 5983 1 1790 . 1 1 190 190 LYS C C 13 176.30 0.25 . 1 . . . . . . . . 5983 1 1791 . 1 1 191 191 VAL N N 15 117.87 0.15 . 1 . . . . . . . . 5983 1 1792 . 1 1 191 191 VAL H H 1 8.75 0.03 . 1 . . . . . . . . 5983 1 1793 . 1 1 191 191 VAL CA C 13 59.44 0.25 . 1 . . . . . . . . 5983 1 1794 . 1 1 191 191 VAL HA H 1 4.33 0.03 . 1 . . . . . . . . 5983 1 1795 . 1 1 191 191 VAL CB C 13 32.29 0.25 . 1 . . . . . . . . 5983 1 1796 . 1 1 191 191 VAL HB H 1 1.84 0.03 . 1 . . . . . . . . 5983 1 1797 . 1 1 191 191 VAL CG2 C 13 20.59 0.25 . 1 . . . . . . . . 5983 1 1798 . 1 1 191 191 VAL HG21 H 1 0.70 0.03 . 2 . . . . . . . . 5983 1 1799 . 1 1 191 191 VAL HG22 H 1 0.70 0.03 . 2 . . . . . . . . 5983 1 1800 . 1 1 191 191 VAL HG23 H 1 0.70 0.03 . 2 . . . . . . . . 5983 1 1801 . 1 1 191 191 VAL CG1 C 13 23.04 0.25 . 1 . . . . . . . . 5983 1 1802 . 1 1 191 191 VAL HG11 H 1 0.78 0.03 . 2 . . . . . . . . 5983 1 1803 . 1 1 191 191 VAL HG12 H 1 0.78 0.03 . 2 . . . . . . . . 5983 1 1804 . 1 1 191 191 VAL HG13 H 1 0.78 0.03 . 2 . . . . . . . . 5983 1 1805 . 1 1 191 191 VAL C C 13 175.18 0.25 . 1 . . . . . . . . 5983 1 1806 . 1 1 192 192 ASP N N 15 123.52 0.15 . 1 . . . . . . . . 5983 1 1807 . 1 1 192 192 ASP H H 1 8.48 0.03 . 1 . . . . . . . . 5983 1 1808 . 1 1 192 192 ASP CA C 13 58.03 0.25 . 1 . . . . . . . . 5983 1 1809 . 1 1 192 192 ASP HA H 1 4.05 0.03 . 1 . . . . . . . . 5983 1 1810 . 1 1 192 192 ASP CB C 13 40.40 0.25 . 1 . . . . . . . . 5983 1 1811 . 1 1 192 192 ASP HB2 H 1 1.89 0.03 . 2 . . . . . . . . 5983 1 1812 . 1 1 192 192 ASP C C 13 176.77 0.25 . 1 . . . . . . . . 5983 1 1813 . 1 1 193 193 GLU N N 15 116.89 0.15 . 1 . . . . . . . . 5983 1 1814 . 1 1 193 193 GLU H H 1 7.40 0.03 . 1 . . . . . . . . 5983 1 1815 . 1 1 193 193 GLU CA C 13 55.50 0.25 . 1 . . . . . . . . 5983 1 1816 . 1 1 193 193 GLU HA H 1 4.17 0.03 . 1 . . . . . . . . 5983 1 1817 . 1 1 193 193 GLU CB C 13 33.20 0.25 . 1 . . . . . . . . 5983 1 1818 . 1 1 193 193 GLU HB2 H 1 1.78 0.03 . 2 . . . . . . . . 5983 1 1819 . 1 1 193 193 GLU CG C 13 35.61 0.25 . 1 . . . . . . . . 5983 1 1820 . 1 1 193 193 GLU HG3 H 1 2.27 0.03 . 2 . . . . . . . . 5983 1 1821 . 1 1 193 193 GLU HG2 H 1 1.94 0.03 . 2 . . . . . . . . 5983 1 1822 . 1 1 193 193 GLU C C 13 172.34 0.25 . 1 . . . . . . . . 5983 1 1823 . 1 1 194 194 VAL N N 15 125.46 0.15 . 1 . . . . . . . . 5983 1 1824 . 1 1 194 194 VAL H H 1 8.49 0.03 . 1 . . . . . . . . 5983 1 1825 . 1 1 194 194 VAL CA C 13 59.96 0.25 . 1 . . . . . . . . 5983 1 1826 . 1 1 194 194 VAL HA H 1 4.11 0.03 . 1 . . . . . . . . 5983 1 1827 . 1 1 194 194 VAL CB C 13 33.03 0.25 . 1 . . . . . . . . 5983 1 1828 . 1 1 194 194 VAL HB H 1 1.76 0.03 . 1 . . . . . . . . 5983 1 1829 . 1 1 194 194 VAL CG2 C 13 20.59 0.25 . 1 . . . . . . . . 5983 1 1830 . 1 1 194 194 VAL HG21 H 1 0.53 0.03 . 2 . . . . . . . . 5983 1 1831 . 1 1 194 194 VAL HG22 H 1 0.53 0.03 . 2 . . . . . . . . 5983 1 1832 . 1 1 194 194 VAL HG23 H 1 0.53 0.03 . 2 . . . . . . . . 5983 1 1833 . 1 1 194 194 VAL CG1 C 13 20.22 0.25 . 1 . . . . . . . . 5983 1 1834 . 1 1 194 194 VAL HG11 H 1 0.35 0.03 . 2 . . . . . . . . 5983 1 1835 . 1 1 194 194 VAL HG12 H 1 0.35 0.03 . 2 . . . . . . . . 5983 1 1836 . 1 1 194 194 VAL HG13 H 1 0.35 0.03 . 2 . . . . . . . . 5983 1 1837 . 1 1 194 194 VAL C C 13 173.36 0.25 . 1 . . . . . . . . 5983 1 1838 . 1 1 195 195 LEU N N 15 128.90 0.15 . 1 . . . . . . . . 5983 1 1839 . 1 1 195 195 LEU H H 1 8.85 0.03 . 1 . . . . . . . . 5983 1 1840 . 1 1 195 195 LEU CA C 13 53.49 0.25 . 1 . . . . . . . . 5983 1 1841 . 1 1 195 195 LEU HA H 1 4.57 0.03 . 1 . . . . . . . . 5983 1 1842 . 1 1 195 195 LEU CB C 13 43.70 0.25 . 1 . . . . . . . . 5983 1 1843 . 1 1 195 195 LEU HB3 H 1 1.67 0.03 . 2 . . . . . . . . 5983 1 1844 . 1 1 195 195 LEU HB2 H 1 1.25 0.03 . 2 . . . . . . . . 5983 1 1845 . 1 1 195 195 LEU CG C 13 26.72 0.25 . 1 . . . . . . . . 5983 1 1846 . 1 1 195 195 LEU HG H 1 0.77 0.03 . 1 . . . . . . . . 5983 1 1847 . 1 1 195 195 LEU CD1 C 13 24.64 0.25 . 1 . . . . . . . . 5983 1 1848 . 1 1 195 195 LEU HD11 H 1 0.41 0.03 . 2 . . . . . . . . 5983 1 1849 . 1 1 195 195 LEU HD12 H 1 0.41 0.03 . 2 . . . . . . . . 5983 1 1850 . 1 1 195 195 LEU HD13 H 1 0.41 0.03 . 2 . . . . . . . . 5983 1 1851 . 1 1 195 195 LEU C C 13 173.22 0.25 . 1 . . . . . . . . 5983 1 1852 . 1 1 196 196 TYR N N 15 115.23 0.15 . 1 . . . . . . . . 5983 1 1853 . 1 1 196 196 TYR H H 1 7.37 0.03 . 1 . . . . . . . . 5983 1 1854 . 1 1 196 196 TYR CA C 13 55.85 0.25 . 1 . . . . . . . . 5983 1 1855 . 1 1 196 196 TYR HA H 1 4.82 0.03 . 1 . . . . . . . . 5983 1 1856 . 1 1 196 196 TYR CB C 13 39.77 0.25 . 1 . . . . . . . . 5983 1 1857 . 1 1 196 196 TYR HB3 H 1 2.45 0.03 . 2 . . . . . . . . 5983 1 1858 . 1 1 196 196 TYR C C 13 173.84 0.25 . 1 . . . . . . . . 5983 1 1859 . 1 1 197 197 GLU N N 15 124.08 0.15 . 1 . . . . . . . . 5983 1 1860 . 1 1 197 197 GLU H H 1 9.92 0.03 . 1 . . . . . . . . 5983 1 1861 . 1 1 197 197 GLU CA C 13 57.50 0.25 . 1 . . . . . . . . 5983 1 1862 . 1 1 197 197 GLU HA H 1 3.78 0.03 . 1 . . . . . . . . 5983 1 1863 . 1 1 197 197 GLU CB C 13 29.56 0.25 . 1 . . . . . . . . 5983 1 1864 . 1 1 197 197 GLU HB3 H 1 2.13 0.03 . 2 . . . . . . . . 5983 1 1865 . 1 1 197 197 GLU HB2 H 1 2.00 0.03 . 2 . . . . . . . . 5983 1 1866 . 1 1 197 197 GLU CG C 13 35.77 0.25 . 1 . . . . . . . . 5983 1 1867 . 1 1 197 197 GLU HG2 H 1 2.13 0.03 . 2 . . . . . . . . 5983 1 1868 . 1 1 197 197 GLU C C 13 173.81 0.25 . 1 . . . . . . . . 5983 1 1869 . 1 1 198 198 ASP N N 15 125.12 0.15 . 1 . . . . . . . . 5983 1 1870 . 1 1 198 198 ASP H H 1 8.07 0.03 . 1 . . . . . . . . 5983 1 1871 . 1 1 198 198 ASP CA C 13 53.54 0.25 . 1 . . . . . . . . 5983 1 1872 . 1 1 198 198 ASP HA H 1 4.49 0.03 . 1 . . . . . . . . 5983 1 1873 . 1 1 198 198 ASP CB C 13 40.74 0.25 . 1 . . . . . . . . 5983 1 1874 . 1 1 198 198 ASP HB3 H 1 2.49 0.03 . 2 . . . . . . . . 5983 1 1875 . 1 1 198 198 ASP HB2 H 1 2.39 0.03 . 2 . . . . . . . . 5983 1 1876 . 1 1 198 198 ASP C C 13 175.60 0.25 . 1 . . . . . . . . 5983 1 1877 . 1 1 199 199 SER N N 15 116.34 0.15 . 1 . . . . . . . . 5983 1 1878 . 1 1 199 199 SER H H 1 8.04 0.03 . 1 . . . . . . . . 5983 1 1879 . 1 1 199 199 SER CA C 13 58.40 0.25 . 1 . . . . . . . . 5983 1 1880 . 1 1 199 199 SER HA H 1 4.23 0.03 . 1 . . . . . . . . 5983 1 1881 . 1 1 199 199 SER CB C 13 63.49 0.25 . 1 . . . . . . . . 5983 1 1882 . 1 1 199 199 SER HB3 H 1 3.73 0.03 . 2 . . . . . . . . 5983 1 1883 . 1 1 199 199 SER HB2 H 1 3.48 0.03 . 2 . . . . . . . . 5983 1 1884 . 1 1 199 199 SER C C 13 174.14 0.25 . 1 . . . . . . . . 5983 1 1885 . 1 1 200 200 SER N N 15 117.87 0.15 . 1 . . . . . . . . 5983 1 1886 . 1 1 200 200 SER H H 1 8.42 0.03 . 1 . . . . . . . . 5983 1 1887 . 1 1 200 200 SER CA C 13 58.36 0.25 . 1 . . . . . . . . 5983 1 1888 . 1 1 200 200 SER HA H 1 4.40 0.03 . 1 . . . . . . . . 5983 1 1889 . 1 1 200 200 SER CB C 13 63.65 0.25 . 1 . . . . . . . . 5983 1 1890 . 1 1 200 200 SER HB2 H 1 3.79 0.03 . 2 . . . . . . . . 5983 1 1891 . 1 1 200 200 SER C C 13 174.20 0.25 . 1 . . . . . . . . 5983 1 1892 . 1 1 201 201 THR N N 15 115.89 0.15 . 1 . . . . . . . . 5983 1 1893 . 1 1 201 201 THR H H 1 8.08 0.03 . 1 . . . . . . . . 5983 1 1894 . 1 1 201 201 THR CA C 13 61.45 0.25 . 1 . . . . . . . . 5983 1 1895 . 1 1 201 201 THR HA H 1 4.25 0.03 . 1 . . . . . . . . 5983 1 1896 . 1 1 201 201 THR CB C 13 69.58 0.25 . 1 . . . . . . . . 5983 1 1897 . 1 1 201 201 THR HB H 1 4.16 0.03 . 1 . . . . . . . . 5983 1 1898 . 1 1 201 201 THR CG2 C 13 21.37 0.25 . 1 . . . . . . . . 5983 1 1899 . 1 1 201 201 THR HG21 H 1 1.11 0.03 . 1 . . . . . . . . 5983 1 1900 . 1 1 201 201 THR HG22 H 1 1.11 0.03 . 1 . . . . . . . . 5983 1 1901 . 1 1 201 201 THR HG23 H 1 1.11 0.03 . 1 . . . . . . . . 5983 1 1902 . 1 1 201 201 THR C C 13 172.86 0.25 . 1 . . . . . . . . 5983 1 1903 . 1 1 202 202 ALA N N 15 132.12 0.15 . 1 . . . . . . . . 5983 1 1904 . 1 1 202 202 ALA H H 1 7.88 0.03 . 1 . . . . . . . . 5983 1 1905 . 1 1 202 202 ALA CA C 13 53.90 0.25 . 1 . . . . . . . . 5983 1 1906 . 1 1 202 202 ALA HA H 1 4.00 0.03 . 1 . . . . . . . . 5983 1 1907 . 1 1 202 202 ALA CB C 13 19.97 0.25 . 1 . . . . . . . . 5983 1 1908 . 1 1 202 202 ALA HB1 H 1 1.24 0.03 . 1 . . . . . . . . 5983 1 1909 . 1 1 202 202 ALA HB2 H 1 1.24 0.03 . 1 . . . . . . . . 5983 1 1910 . 1 1 202 202 ALA HB3 H 1 1.24 0.03 . 1 . . . . . . . . 5983 1 stop_ save_