data_5799 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5799 _Entry.Title ; Protein Signal Assignments using Specific Labeling and Cell-free Synthesis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-05-16 _Entry.Accession_date 2003-05-19 _Entry.Last_release_date 2004-03-23 _Entry.Original_release_date 2004-03-23 _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 Jianxia Shi . . . 5799 2 Jefferey Pelton . G. . 5799 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5799 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 557 5799 '13C chemical shifts' 599 5799 '15N chemical shifts' 206 5799 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 . . 2004-03-23 2003-05-16 original author . 5799 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5799 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14752257 _Citation.Full_citation . _Citation.Title 'Protein Signal Assignments using Specific Labeling and Cell-free Synthesis' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 28 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 235 _Citation.Page_last 247 _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 Jianxia Shi . . . 5799 1 2 Jefferey Pelton . G. . 5799 1 3 H. Cho . S. . 5799 1 4 D. Wemmer . E. . 5799 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Cell-free protein synthesis' 5799 1 'NMR assignment' 5799 1 PSP 5799 1 'Selective stable isotope labeling' 5799 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_PSP _Assembly.Sf_category assembly _Assembly.Sf_framecode system_PSP _Assembly.Entry_ID 5799 _Assembly.ID 1 _Assembly.Name 'PSP monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 3.1.3.3 _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 5799 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 'PSP monomer' 1 $PSP . . . native . . . . . 5799 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 yes ExPASy Q58989 . . . . . . 5799 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'PSP monomer' system 5799 1 PSP abbreviation 5799 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID hydrolase 5799 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PSP _Entity.Sf_category entity _Entity.Sf_framecode PSP _Entity.Entry_ID 5799 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Phosphoserine phosphatase' _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 ; MEKKKKLILFDFDSTLVNNE TIDEIAREAGVEEEVKKITK EAMEGKLNFEQSLRKRVSLL KDLPIEKVEKAIKRITPTEG AEETIKELKNRGYVVAVVSG GFDIAVNKIKEKLGLDYAFA NRLIVKDGKLTGDVEGEVLK ENAKGEILEKIAKIEGINLE DTVAVGDGANDISMFKKAGL KIAFCAKPILKEKADICIEK RDLREILKYIK ; _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 211 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 23594 _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 1F5S . "Crystal Structure Of Phosphoserine Phosphatase From Methanococcus Jannaschii" . . . . . 100.00 211 100.00 100.00 1.28e-140 . . . . 5799 1 2 no PDB 1J97 . "Phospho-Aspartyl Intermediate Analogue Of Phosphoserine Phosphatase" . . . . . 100.00 211 99.53 99.53 1.52e-139 . . . . 5799 1 3 no PDB 1L7M . "High Resolution Liganded Structure Of Phosphoserine Phosphatase (Pi Complex)" . . . . . 99.53 211 99.05 99.05 3.44e-137 . . . . 5799 1 4 no PDB 1L7N . "Transition State Analogue Of Phosphoserine Phosphatase (Aluminum Fluoride Complex)" . . . . . 99.53 211 99.05 99.05 3.44e-137 . . . . 5799 1 5 no PDB 1L7O . "Crystal Structure Of Phosphoserine Phosphatase In Apo Form" . . . . . 99.53 211 98.57 99.05 1.59e-136 . . . . 5799 1 6 no PDB 1L7P . "Substrate Bound Phosphoserine Phosphatase Complex Structure" . . . . . 99.53 211 98.57 99.05 1.59e-136 . . . . 5799 1 7 no GB AAB99612 . "phosphoserine phosphatase (serB) [Methanocaldococcus jannaschii DSM 2661]" . . . . . 100.00 211 100.00 100.00 1.28e-140 . . . . 5799 1 8 no GB AIJ05608 . "phosphoserine phosphatase SerB [Methanocaldococcus sp. JH146]" . . . . . 100.00 211 98.10 99.53 1.29e-137 . . . . 5799 1 9 no REF NP_248603 . "phosphoserine phosphatase SerB [Methanocaldococcus jannaschii DSM 2661]" . . . . . 100.00 211 100.00 100.00 1.28e-140 . . . . 5799 1 10 no REF WP_010871118 . "phosphoserine phosphatase [Methanocaldococcus jannaschii]" . . . . . 100.00 211 100.00 100.00 1.28e-140 . . . . 5799 1 11 no SP Q58989 . "RecName: Full=Phosphoserine phosphatase; Short=PSP; Short=PSPase; AltName: Full=O-phosphoserine phosphohydrolase [Methanocaldoc" . . . . . 100.00 211 100.00 100.00 1.28e-140 . . . . 5799 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Phosphoserine phosphatase' common 5799 1 PSP abbreviation 5799 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5799 1 2 . GLU . 5799 1 3 . LYS . 5799 1 4 . LYS . 5799 1 5 . LYS . 5799 1 6 . LYS . 5799 1 7 . LEU . 5799 1 8 . ILE . 5799 1 9 . LEU . 5799 1 10 . PHE . 5799 1 11 . ASP . 5799 1 12 . PHE . 5799 1 13 . ASP . 5799 1 14 . SER . 5799 1 15 . THR . 5799 1 16 . LEU . 5799 1 17 . VAL . 5799 1 18 . ASN . 5799 1 19 . ASN . 5799 1 20 . GLU . 5799 1 21 . THR . 5799 1 22 . ILE . 5799 1 23 . ASP . 5799 1 24 . GLU . 5799 1 25 . ILE . 5799 1 26 . ALA . 5799 1 27 . ARG . 5799 1 28 . GLU . 5799 1 29 . ALA . 5799 1 30 . GLY . 5799 1 31 . VAL . 5799 1 32 . GLU . 5799 1 33 . GLU . 5799 1 34 . GLU . 5799 1 35 . VAL . 5799 1 36 . LYS . 5799 1 37 . LYS . 5799 1 38 . ILE . 5799 1 39 . THR . 5799 1 40 . LYS . 5799 1 41 . GLU . 5799 1 42 . ALA . 5799 1 43 . MET . 5799 1 44 . GLU . 5799 1 45 . GLY . 5799 1 46 . LYS . 5799 1 47 . LEU . 5799 1 48 . ASN . 5799 1 49 . PHE . 5799 1 50 . GLU . 5799 1 51 . GLN . 5799 1 52 . SER . 5799 1 53 . LEU . 5799 1 54 . ARG . 5799 1 55 . LYS . 5799 1 56 . ARG . 5799 1 57 . VAL . 5799 1 58 . SER . 5799 1 59 . LEU . 5799 1 60 . LEU . 5799 1 61 . LYS . 5799 1 62 . ASP . 5799 1 63 . LEU . 5799 1 64 . PRO . 5799 1 65 . ILE . 5799 1 66 . GLU . 5799 1 67 . LYS . 5799 1 68 . VAL . 5799 1 69 . GLU . 5799 1 70 . LYS . 5799 1 71 . ALA . 5799 1 72 . ILE . 5799 1 73 . LYS . 5799 1 74 . ARG . 5799 1 75 . ILE . 5799 1 76 . THR . 5799 1 77 . PRO . 5799 1 78 . THR . 5799 1 79 . GLU . 5799 1 80 . GLY . 5799 1 81 . ALA . 5799 1 82 . GLU . 5799 1 83 . GLU . 5799 1 84 . THR . 5799 1 85 . ILE . 5799 1 86 . LYS . 5799 1 87 . GLU . 5799 1 88 . LEU . 5799 1 89 . LYS . 5799 1 90 . ASN . 5799 1 91 . ARG . 5799 1 92 . GLY . 5799 1 93 . TYR . 5799 1 94 . VAL . 5799 1 95 . VAL . 5799 1 96 . ALA . 5799 1 97 . VAL . 5799 1 98 . VAL . 5799 1 99 . SER . 5799 1 100 . GLY . 5799 1 101 . GLY . 5799 1 102 . PHE . 5799 1 103 . ASP . 5799 1 104 . ILE . 5799 1 105 . ALA . 5799 1 106 . VAL . 5799 1 107 . ASN . 5799 1 108 . LYS . 5799 1 109 . ILE . 5799 1 110 . LYS . 5799 1 111 . GLU . 5799 1 112 . LYS . 5799 1 113 . LEU . 5799 1 114 . GLY . 5799 1 115 . LEU . 5799 1 116 . ASP . 5799 1 117 . TYR . 5799 1 118 . ALA . 5799 1 119 . PHE . 5799 1 120 . ALA . 5799 1 121 . ASN . 5799 1 122 . ARG . 5799 1 123 . LEU . 5799 1 124 . ILE . 5799 1 125 . VAL . 5799 1 126 . LYS . 5799 1 127 . ASP . 5799 1 128 . GLY . 5799 1 129 . LYS . 5799 1 130 . LEU . 5799 1 131 . THR . 5799 1 132 . GLY . 5799 1 133 . ASP . 5799 1 134 . VAL . 5799 1 135 . GLU . 5799 1 136 . GLY . 5799 1 137 . GLU . 5799 1 138 . VAL . 5799 1 139 . LEU . 5799 1 140 . LYS . 5799 1 141 . GLU . 5799 1 142 . ASN . 5799 1 143 . ALA . 5799 1 144 . LYS . 5799 1 145 . GLY . 5799 1 146 . GLU . 5799 1 147 . ILE . 5799 1 148 . LEU . 5799 1 149 . GLU . 5799 1 150 . LYS . 5799 1 151 . ILE . 5799 1 152 . ALA . 5799 1 153 . LYS . 5799 1 154 . ILE . 5799 1 155 . GLU . 5799 1 156 . GLY . 5799 1 157 . ILE . 5799 1 158 . ASN . 5799 1 159 . LEU . 5799 1 160 . GLU . 5799 1 161 . ASP . 5799 1 162 . THR . 5799 1 163 . VAL . 5799 1 164 . ALA . 5799 1 165 . VAL . 5799 1 166 . GLY . 5799 1 167 . ASP . 5799 1 168 . GLY . 5799 1 169 . ALA . 5799 1 170 . ASN . 5799 1 171 . ASP . 5799 1 172 . ILE . 5799 1 173 . SER . 5799 1 174 . MET . 5799 1 175 . PHE . 5799 1 176 . LYS . 5799 1 177 . LYS . 5799 1 178 . ALA . 5799 1 179 . GLY . 5799 1 180 . LEU . 5799 1 181 . LYS . 5799 1 182 . ILE . 5799 1 183 . ALA . 5799 1 184 . PHE . 5799 1 185 . CYS . 5799 1 186 . ALA . 5799 1 187 . LYS . 5799 1 188 . PRO . 5799 1 189 . ILE . 5799 1 190 . LEU . 5799 1 191 . LYS . 5799 1 192 . GLU . 5799 1 193 . LYS . 5799 1 194 . ALA . 5799 1 195 . ASP . 5799 1 196 . ILE . 5799 1 197 . CYS . 5799 1 198 . ILE . 5799 1 199 . GLU . 5799 1 200 . LYS . 5799 1 201 . ARG . 5799 1 202 . ASP . 5799 1 203 . LEU . 5799 1 204 . ARG . 5799 1 205 . GLU . 5799 1 206 . ILE . 5799 1 207 . LEU . 5799 1 208 . LYS . 5799 1 209 . TYR . 5799 1 210 . ILE . 5799 1 211 . LYS . 5799 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5799 1 . GLU 2 2 5799 1 . LYS 3 3 5799 1 . LYS 4 4 5799 1 . LYS 5 5 5799 1 . LYS 6 6 5799 1 . LEU 7 7 5799 1 . ILE 8 8 5799 1 . LEU 9 9 5799 1 . PHE 10 10 5799 1 . ASP 11 11 5799 1 . PHE 12 12 5799 1 . ASP 13 13 5799 1 . SER 14 14 5799 1 . THR 15 15 5799 1 . LEU 16 16 5799 1 . VAL 17 17 5799 1 . ASN 18 18 5799 1 . ASN 19 19 5799 1 . GLU 20 20 5799 1 . THR 21 21 5799 1 . ILE 22 22 5799 1 . ASP 23 23 5799 1 . GLU 24 24 5799 1 . ILE 25 25 5799 1 . ALA 26 26 5799 1 . ARG 27 27 5799 1 . GLU 28 28 5799 1 . ALA 29 29 5799 1 . GLY 30 30 5799 1 . VAL 31 31 5799 1 . GLU 32 32 5799 1 . GLU 33 33 5799 1 . GLU 34 34 5799 1 . VAL 35 35 5799 1 . LYS 36 36 5799 1 . LYS 37 37 5799 1 . ILE 38 38 5799 1 . THR 39 39 5799 1 . LYS 40 40 5799 1 . GLU 41 41 5799 1 . ALA 42 42 5799 1 . MET 43 43 5799 1 . GLU 44 44 5799 1 . GLY 45 45 5799 1 . LYS 46 46 5799 1 . LEU 47 47 5799 1 . ASN 48 48 5799 1 . PHE 49 49 5799 1 . GLU 50 50 5799 1 . GLN 51 51 5799 1 . SER 52 52 5799 1 . LEU 53 53 5799 1 . ARG 54 54 5799 1 . LYS 55 55 5799 1 . ARG 56 56 5799 1 . VAL 57 57 5799 1 . SER 58 58 5799 1 . LEU 59 59 5799 1 . LEU 60 60 5799 1 . LYS 61 61 5799 1 . ASP 62 62 5799 1 . LEU 63 63 5799 1 . PRO 64 64 5799 1 . ILE 65 65 5799 1 . GLU 66 66 5799 1 . LYS 67 67 5799 1 . VAL 68 68 5799 1 . GLU 69 69 5799 1 . LYS 70 70 5799 1 . ALA 71 71 5799 1 . ILE 72 72 5799 1 . LYS 73 73 5799 1 . ARG 74 74 5799 1 . ILE 75 75 5799 1 . THR 76 76 5799 1 . PRO 77 77 5799 1 . THR 78 78 5799 1 . GLU 79 79 5799 1 . GLY 80 80 5799 1 . ALA 81 81 5799 1 . GLU 82 82 5799 1 . GLU 83 83 5799 1 . THR 84 84 5799 1 . ILE 85 85 5799 1 . LYS 86 86 5799 1 . GLU 87 87 5799 1 . LEU 88 88 5799 1 . LYS 89 89 5799 1 . ASN 90 90 5799 1 . ARG 91 91 5799 1 . GLY 92 92 5799 1 . TYR 93 93 5799 1 . VAL 94 94 5799 1 . VAL 95 95 5799 1 . ALA 96 96 5799 1 . VAL 97 97 5799 1 . VAL 98 98 5799 1 . SER 99 99 5799 1 . GLY 100 100 5799 1 . GLY 101 101 5799 1 . PHE 102 102 5799 1 . ASP 103 103 5799 1 . ILE 104 104 5799 1 . ALA 105 105 5799 1 . VAL 106 106 5799 1 . ASN 107 107 5799 1 . LYS 108 108 5799 1 . ILE 109 109 5799 1 . LYS 110 110 5799 1 . GLU 111 111 5799 1 . LYS 112 112 5799 1 . LEU 113 113 5799 1 . GLY 114 114 5799 1 . LEU 115 115 5799 1 . ASP 116 116 5799 1 . TYR 117 117 5799 1 . ALA 118 118 5799 1 . PHE 119 119 5799 1 . ALA 120 120 5799 1 . ASN 121 121 5799 1 . ARG 122 122 5799 1 . LEU 123 123 5799 1 . ILE 124 124 5799 1 . VAL 125 125 5799 1 . LYS 126 126 5799 1 . ASP 127 127 5799 1 . GLY 128 128 5799 1 . LYS 129 129 5799 1 . LEU 130 130 5799 1 . THR 131 131 5799 1 . GLY 132 132 5799 1 . ASP 133 133 5799 1 . VAL 134 134 5799 1 . GLU 135 135 5799 1 . GLY 136 136 5799 1 . GLU 137 137 5799 1 . VAL 138 138 5799 1 . LEU 139 139 5799 1 . LYS 140 140 5799 1 . GLU 141 141 5799 1 . ASN 142 142 5799 1 . ALA 143 143 5799 1 . LYS 144 144 5799 1 . GLY 145 145 5799 1 . GLU 146 146 5799 1 . ILE 147 147 5799 1 . LEU 148 148 5799 1 . GLU 149 149 5799 1 . LYS 150 150 5799 1 . ILE 151 151 5799 1 . ALA 152 152 5799 1 . LYS 153 153 5799 1 . ILE 154 154 5799 1 . GLU 155 155 5799 1 . GLY 156 156 5799 1 . ILE 157 157 5799 1 . ASN 158 158 5799 1 . LEU 159 159 5799 1 . GLU 160 160 5799 1 . ASP 161 161 5799 1 . THR 162 162 5799 1 . VAL 163 163 5799 1 . ALA 164 164 5799 1 . VAL 165 165 5799 1 . GLY 166 166 5799 1 . ASP 167 167 5799 1 . GLY 168 168 5799 1 . ALA 169 169 5799 1 . ASN 170 170 5799 1 . ASP 171 171 5799 1 . ILE 172 172 5799 1 . SER 173 173 5799 1 . MET 174 174 5799 1 . PHE 175 175 5799 1 . LYS 176 176 5799 1 . LYS 177 177 5799 1 . ALA 178 178 5799 1 . GLY 179 179 5799 1 . LEU 180 180 5799 1 . LYS 181 181 5799 1 . ILE 182 182 5799 1 . ALA 183 183 5799 1 . PHE 184 184 5799 1 . CYS 185 185 5799 1 . ALA 186 186 5799 1 . LYS 187 187 5799 1 . PRO 188 188 5799 1 . ILE 189 189 5799 1 . LEU 190 190 5799 1 . LYS 191 191 5799 1 . GLU 192 192 5799 1 . LYS 193 193 5799 1 . ALA 194 194 5799 1 . ASP 195 195 5799 1 . ILE 196 196 5799 1 . CYS 197 197 5799 1 . ILE 198 198 5799 1 . GLU 199 199 5799 1 . LYS 200 200 5799 1 . ARG 201 201 5799 1 . ASP 202 202 5799 1 . LEU 203 203 5799 1 . ARG 204 204 5799 1 . GLU 205 205 5799 1 . ILE 206 206 5799 1 . LEU 207 207 5799 1 . LYS 208 208 5799 1 . TYR 209 209 5799 1 . ILE 210 210 5799 1 . LYS 211 211 5799 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5799 _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 $PSP . 2190 . . 'Methanococcous jannichi' . . . Eubacteria . Methanococcous jannichi . . . . . . . . . . . . . . . . . . . . . 5799 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 5799 _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 $PSP . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5799 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample1 _Sample.Sf_category sample _Sample.Sf_framecode Sample1 _Sample.Entry_ID 5799 _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 'Phosphoserine phosphatase' . . . 1 $PSP . . 1.0 . . mM . . . . 5799 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5799 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.2 0.2 na 5799 1 temperature 313 1 K 5799 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5799 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 5799 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5799 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5799 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DRX . 600 . . . 5799 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 5799 _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 '15N hsqc' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5799 1 2 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5799 1 3 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5799 1 4 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5799 1 5 HNcaCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5799 1 6 HNcoCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5799 1 7 CBCAcoNH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5799 1 8 HAHN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5799 1 9 HBHAcoNH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5799 1 10 HNcaNH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5799 1 11 '15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5799 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 5799 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '15N hsqc' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5799 _NMR_spec_expt.ID 2 _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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5799 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5799 _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 5799 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNcaCO _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 5799 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNcoCA _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 5799 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CBCAcoNH _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 5799 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HAHN _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 5799 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HBHAcoNH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5799 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HNcaNH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5799 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # 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 5799 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 5799 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5799 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5799 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 5799 _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 '15N hsqc' 1 $Sample1 . 5799 1 2 HNCA 1 $Sample1 . 5799 1 3 HNCACB 1 $Sample1 . 5799 1 4 HNCO 1 $Sample1 . 5799 1 5 HNcaCO 1 $Sample1 . 5799 1 6 HNcoCA 1 $Sample1 . 5799 1 7 CBCAcoNH 1 $Sample1 . 5799 1 8 HAHN 1 $Sample1 . 5799 1 9 HBHAcoNH 1 $Sample1 . 5799 1 10 HNcaNH 1 $Sample1 . 5799 1 11 '15N NOESY' 1 $Sample1 . 5799 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLU CA C 13 56.7 0.20 . 1 . . . . . . . . 5799 1 2 . 1 1 2 2 GLU HA H 1 4.47 0.02 . 1 . . . . . . . . 5799 1 3 . 1 1 2 2 GLU CB C 13 30.9 0.20 . 1 . . . . . . . . 5799 1 4 . 1 1 2 2 GLU HB3 H 1 2.09 0.02 . 2 . . . . . . . . 5799 1 5 . 1 1 2 2 GLU C C 13 175.9 0.20 . 1 . . . . . . . . 5799 1 6 . 1 1 3 3 LYS N N 15 123.6 0.20 . 1 . . . . . . . . 5799 1 7 . 1 1 3 3 LYS H H 1 8.42 0.02 . 1 . . . . . . . . 5799 1 8 . 1 1 3 3 LYS CA C 13 55.8 0.20 . 1 . . . . . . . . 5799 1 9 . 1 1 3 3 LYS HA H 1 4.41 0.02 . 1 . . . . . . . . 5799 1 10 . 1 1 3 3 LYS CB C 13 33.5 0.20 . 1 . . . . . . . . 5799 1 11 . 1 1 3 3 LYS HB2 H 1 1.88 0.02 . 2 . . . . . . . . 5799 1 12 . 1 1 3 3 LYS HB3 H 1 2.11 0.02 . 2 . . . . . . . . 5799 1 13 . 1 1 3 3 LYS C C 13 176.1 0.20 . 1 . . . . . . . . 5799 1 14 . 1 1 4 4 LYS N N 15 124.2 0.20 . 1 . . . . . . . . 5799 1 15 . 1 1 4 4 LYS H H 1 8.31 0.02 . 1 . . . . . . . . 5799 1 16 . 1 1 4 4 LYS CA C 13 55.8 0.20 . 1 . . . . . . . . 5799 1 17 . 1 1 4 4 LYS HA H 1 4.41 0.02 . 1 . . . . . . . . 5799 1 18 . 1 1 4 4 LYS CB C 13 33.7 0.20 . 1 . . . . . . . . 5799 1 19 . 1 1 4 4 LYS HB2 H 1 1.81 0.02 . 2 . . . . . . . . 5799 1 20 . 1 1 4 4 LYS HB3 H 1 2.09 0.02 . 2 . . . . . . . . 5799 1 21 . 1 1 4 4 LYS C C 13 176.0 0.20 . 1 . . . . . . . . 5799 1 22 . 1 1 5 5 LYS N N 15 124.0 0.20 . 1 . . . . . . . . 5799 1 23 . 1 1 5 5 LYS H H 1 8.41 0.02 . 1 . . . . . . . . 5799 1 24 . 1 1 5 5 LYS CA C 13 56.4 0.20 . 1 . . . . . . . . 5799 1 25 . 1 1 5 5 LYS HA H 1 4.44 0.02 . 1 . . . . . . . . 5799 1 26 . 1 1 5 5 LYS CB C 13 34.0 0.20 . 1 . . . . . . . . 5799 1 27 . 1 1 5 5 LYS HB3 H 1 1.82 0.02 . 2 . . . . . . . . 5799 1 28 . 1 1 5 5 LYS C C 13 174.9 0.20 . 1 . . . . . . . . 5799 1 29 . 1 1 6 6 LYS N N 15 120.0 0.20 . 1 . . . . . . . . 5799 1 30 . 1 1 6 6 LYS H H 1 7.06 0.02 . 1 . . . . . . . . 5799 1 31 . 1 1 6 6 LYS CA C 13 54.5 0.20 . 1 . . . . . . . . 5799 1 32 . 1 1 6 6 LYS HA H 1 4.79 0.02 . 1 . . . . . . . . 5799 1 33 . 1 1 6 6 LYS CB C 13 36.0 0.20 . 1 . . . . . . . . 5799 1 34 . 1 1 6 6 LYS C C 13 174.3 0.20 . 1 . . . . . . . . 5799 1 35 . 1 1 7 7 LEU N N 15 121.2 0.20 . 1 . . . . . . . . 5799 1 36 . 1 1 7 7 LEU H H 1 7.83 0.02 . 1 . . . . . . . . 5799 1 37 . 1 1 7 7 LEU CA C 13 53.4 0.20 . 1 . . . . . . . . 5799 1 38 . 1 1 7 7 LEU HA H 1 5.52 0.02 . 1 . . . . . . . . 5799 1 39 . 1 1 7 7 LEU CB C 13 47.3 0.20 . 1 . . . . . . . . 5799 1 40 . 1 1 7 7 LEU HB3 H 1 1.65 0.02 . 2 . . . . . . . . 5799 1 41 . 1 1 7 7 LEU C C 13 174.1 0.20 . 1 . . . . . . . . 5799 1 42 . 1 1 8 8 ILE N N 15 125.8 0.20 . 1 . . . . . . . . 5799 1 43 . 1 1 8 8 ILE H H 1 9.22 0.02 . 1 . . . . . . . . 5799 1 44 . 1 1 8 8 ILE CA C 13 58.1 0.20 . 1 . . . . . . . . 5799 1 45 . 1 1 8 8 ILE HA H 1 5.35 0.02 . 1 . . . . . . . . 5799 1 46 . 1 1 8 8 ILE CB C 13 41.1 0.20 . 1 . . . . . . . . 5799 1 47 . 1 1 8 8 ILE HB H 1 1.60 0.02 . 1 . . . . . . . . 5799 1 48 . 1 1 8 8 ILE C C 13 171.0 0.20 . 1 . . . . . . . . 5799 1 49 . 1 1 9 9 LEU N N 15 129.8 0.20 . 1 . . . . . . . . 5799 1 50 . 1 1 9 9 LEU H H 1 9.31 0.02 . 1 . . . . . . . . 5799 1 51 . 1 1 9 9 LEU CA C 13 52.4 0.20 . 1 . . . . . . . . 5799 1 52 . 1 1 9 9 LEU HA H 1 5.01 0.02 . 1 . . . . . . . . 5799 1 53 . 1 1 9 9 LEU CB C 13 45.3 0.20 . 1 . . . . . . . . 5799 1 54 . 1 1 9 9 LEU HB3 H 1 2.10 0.02 . 2 . . . . . . . . 5799 1 55 . 1 1 9 9 LEU C C 13 174.1 0.20 . 1 . . . . . . . . 5799 1 56 . 1 1 10 10 PHE N N 15 122.3 0.20 . 1 . . . . . . . . 5799 1 57 . 1 1 10 10 PHE H H 1 9.09 0.02 . 1 . . . . . . . . 5799 1 58 . 1 1 10 10 PHE CA C 13 57.3 0.20 . 1 . . . . . . . . 5799 1 59 . 1 1 10 10 PHE HA H 1 5.07 0.02 . 1 . . . . . . . . 5799 1 60 . 1 1 10 10 PHE CB C 13 38.7 0.20 . 1 . . . . . . . . 5799 1 61 . 1 1 10 10 PHE C C 13 177.6 0.20 . 1 . . . . . . . . 5799 1 62 . 1 1 11 11 ASP N N 15 119.4 0.20 . 1 . . . . . . . . 5799 1 63 . 1 1 11 11 ASP H H 1 8.40 0.02 . 1 . . . . . . . . 5799 1 64 . 1 1 11 11 ASP CA C 13 53.7 0.20 . 1 . . . . . . . . 5799 1 65 . 1 1 11 11 ASP CB C 13 45.0 0.20 . 1 . . . . . . . . 5799 1 66 . 1 1 11 11 ASP C C 13 175.4 0.20 . 1 . . . . . . . . 5799 1 67 . 1 1 12 12 PHE N N 15 124.6 0.20 . 1 . . . . . . . . 5799 1 68 . 1 1 12 12 PHE H H 1 7.75 0.02 . 1 . . . . . . . . 5799 1 69 . 1 1 12 12 PHE CA C 13 59.6 0.20 . 1 . . . . . . . . 5799 1 70 . 1 1 12 12 PHE C C 13 175.6 0.20 . 1 . . . . . . . . 5799 1 71 . 1 1 13 13 ASP N N 15 122.0 0.20 . 1 . . . . . . . . 5799 1 72 . 1 1 13 13 ASP H H 1 8.98 0.02 . 1 . . . . . . . . 5799 1 73 . 1 1 13 13 ASP CA C 13 58.1 0.20 . 1 . . . . . . . . 5799 1 74 . 1 1 13 13 ASP C C 13 175.8 0.20 . 1 . . . . . . . . 5799 1 75 . 1 1 14 14 SER N N 15 118.9 0.20 . 1 . . . . . . . . 5799 1 76 . 1 1 14 14 SER H H 1 7.62 0.02 . 1 . . . . . . . . 5799 1 77 . 1 1 14 14 SER CA C 13 63.8 0.20 . 1 . . . . . . . . 5799 1 78 . 1 1 14 14 SER CB C 13 61.4 0.20 . 1 . . . . . . . . 5799 1 79 . 1 1 14 14 SER C C 13 173.9 0.20 . 1 . . . . . . . . 5799 1 80 . 1 1 15 15 THR N N 15 120.8 0.20 . 1 . . . . . . . . 5799 1 81 . 1 1 15 15 THR H H 1 7.89 0.02 . 1 . . . . . . . . 5799 1 82 . 1 1 15 15 THR CA C 13 65.2 0.20 . 1 . . . . . . . . 5799 1 83 . 1 1 15 15 THR HA H 1 4.73 0.02 . 1 . . . . . . . . 5799 1 84 . 1 1 15 15 THR CB C 13 68.1 0.20 . 1 . . . . . . . . 5799 1 85 . 1 1 15 15 THR C C 13 173.3 0.20 . 1 . . . . . . . . 5799 1 86 . 1 1 16 16 LEU N N 15 124.2 0.20 . 1 . . . . . . . . 5799 1 87 . 1 1 16 16 LEU H H 1 7.68 0.02 . 1 . . . . . . . . 5799 1 88 . 1 1 16 16 LEU CA C 13 56.8 0.20 . 1 . . . . . . . . 5799 1 89 . 1 1 16 16 LEU HA H 1 3.84 0.02 . 1 . . . . . . . . 5799 1 90 . 1 1 16 16 LEU CB C 13 44.3 0.20 . 1 . . . . . . . . 5799 1 91 . 1 1 16 16 LEU HB3 H 1 1.68 0.02 . 2 . . . . . . . . 5799 1 92 . 1 1 16 16 LEU C C 13 176.1 0.20 . 1 . . . . . . . . 5799 1 93 . 1 1 17 17 VAL N N 15 134.9 0.20 . 1 . . . . . . . . 5799 1 94 . 1 1 17 17 VAL H H 1 7.21 0.02 . 1 . . . . . . . . 5799 1 95 . 1 1 17 17 VAL CA C 13 57.6 0.20 . 1 . . . . . . . . 5799 1 96 . 1 1 17 17 VAL HA H 1 4.77 0.02 . 1 . . . . . . . . 5799 1 97 . 1 1 17 17 VAL CB C 13 33.7 0.20 . 1 . . . . . . . . 5799 1 98 . 1 1 17 17 VAL HB H 1 2.03 0.02 . 1 . . . . . . . . 5799 1 99 . 1 1 17 17 VAL C C 13 175.7 0.20 . 1 . . . . . . . . 5799 1 100 . 1 1 18 18 ASN N N 15 116.4 0.20 . 1 . . . . . . . . 5799 1 101 . 1 1 18 18 ASN H H 1 8.09 0.02 . 1 . . . . . . . . 5799 1 102 . 1 1 18 18 ASN CA C 13 54.0 0.20 . 1 . . . . . . . . 5799 1 103 . 1 1 18 18 ASN HA H 1 4.59 0.02 . 1 . . . . . . . . 5799 1 104 . 1 1 18 18 ASN CB C 13 40.0 0.20 . 1 . . . . . . . . 5799 1 105 . 1 1 18 18 ASN HB2 H 1 2.48 0.02 . 2 . . . . . . . . 5799 1 106 . 1 1 18 18 ASN HB3 H 1 2.77 0.02 . 2 . . . . . . . . 5799 1 107 . 1 1 18 18 ASN C C 13 175.7 0.20 . 1 . . . . . . . . 5799 1 108 . 1 1 19 19 ASN N N 15 113.0 0.20 . 1 . . . . . . . . 5799 1 109 . 1 1 19 19 ASN H H 1 7.50 0.02 . 1 . . . . . . . . 5799 1 110 . 1 1 19 19 ASN CA C 13 52.4 0.20 . 1 . . . . . . . . 5799 1 111 . 1 1 19 19 ASN HA H 1 4.85 0.02 . 1 . . . . . . . . 5799 1 112 . 1 1 19 19 ASN CB C 13 42.5 0.20 . 1 . . . . . . . . 5799 1 113 . 1 1 19 19 ASN C C 13 172.9 0.20 . 1 . . . . . . . . 5799 1 114 . 1 1 20 20 GLU N N 15 116.3 0.20 . 1 . . . . . . . . 5799 1 115 . 1 1 20 20 GLU H H 1 8.38 0.02 . 1 . . . . . . . . 5799 1 116 . 1 1 20 20 GLU CA C 13 55.0 0.20 . 1 . . . . . . . . 5799 1 117 . 1 1 20 20 GLU HA H 1 3.38 0.02 . 1 . . . . . . . . 5799 1 118 . 1 1 20 20 GLU CB C 13 39.8 0.20 . 1 . . . . . . . . 5799 1 119 . 1 1 20 20 GLU C C 13 176.8 0.20 . 1 . . . . . . . . 5799 1 120 . 1 1 21 21 THR N N 15 123.5 0.20 . 1 . . . . . . . . 5799 1 121 . 1 1 21 21 THR H H 1 9.31 0.02 . 1 . . . . . . . . 5799 1 122 . 1 1 21 21 THR CA C 13 68.3 0.20 . 1 . . . . . . . . 5799 1 123 . 1 1 21 21 THR C C 13 176.4 0.20 . 1 . . . . . . . . 5799 1 124 . 1 1 22 22 ILE N N 15 118.7 0.20 . 1 . . . . . . . . 5799 1 125 . 1 1 22 22 ILE H H 1 8.86 0.02 . 1 . . . . . . . . 5799 1 126 . 1 1 22 22 ILE CA C 13 64.9 0.20 . 1 . . . . . . . . 5799 1 127 . 1 1 22 22 ILE HA H 1 3.54 0.02 . 1 . . . . . . . . 5799 1 128 . 1 1 22 22 ILE CB C 13 36.5 0.20 . 1 . . . . . . . . 5799 1 129 . 1 1 22 22 ILE C C 13 176.2 0.20 . 1 . . . . . . . . 5799 1 130 . 1 1 23 23 ASP N N 15 123.9 0.20 . 1 . . . . . . . . 5799 1 131 . 1 1 23 23 ASP H H 1 6.73 0.02 . 1 . . . . . . . . 5799 1 132 . 1 1 23 23 ASP CA C 13 57.4 0.20 . 1 . . . . . . . . 5799 1 133 . 1 1 23 23 ASP HA H 1 4.25 0.02 . 1 . . . . . . . . 5799 1 134 . 1 1 23 23 ASP CB C 13 40.1 0.20 . 1 . . . . . . . . 5799 1 135 . 1 1 23 23 ASP C C 13 179.3 0.20 . 1 . . . . . . . . 5799 1 136 . 1 1 24 24 GLU N N 15 118.2 0.20 . 1 . . . . . . . . 5799 1 137 . 1 1 24 24 GLU H H 1 7.92 0.02 . 1 . . . . . . . . 5799 1 138 . 1 1 24 24 GLU CA C 13 58.3 0.20 . 1 . . . . . . . . 5799 1 139 . 1 1 24 24 GLU HA H 1 4.29 0.02 . 1 . . . . . . . . 5799 1 140 . 1 1 24 24 GLU CB C 13 29.5 0.20 . 1 . . . . . . . . 5799 1 141 . 1 1 24 24 GLU C C 13 180.1 0.20 . 1 . . . . . . . . 5799 1 142 . 1 1 25 25 ILE N N 15 118.7 0.20 . 1 . . . . . . . . 5799 1 143 . 1 1 25 25 ILE H H 1 7.99 0.02 . 1 . . . . . . . . 5799 1 144 . 1 1 25 25 ILE CA C 13 65.3 0.20 . 1 . . . . . . . . 5799 1 145 . 1 1 25 25 ILE HA H 1 3.51 0.02 . 1 . . . . . . . . 5799 1 146 . 1 1 25 25 ILE CB C 13 38.4 0.20 . 1 . . . . . . . . 5799 1 147 . 1 1 25 25 ILE C C 13 178.0 0.20 . 1 . . . . . . . . 5799 1 148 . 1 1 26 26 ALA N N 15 120.8 0.20 . 1 . . . . . . . . 5799 1 149 . 1 1 26 26 ALA H H 1 8.52 0.02 . 1 . . . . . . . . 5799 1 150 . 1 1 26 26 ALA CA C 13 54.6 0.20 . 1 . . . . . . . . 5799 1 151 . 1 1 26 26 ALA HA H 1 3.86 0.02 . 1 . . . . . . . . 5799 1 152 . 1 1 26 26 ALA CB C 13 19.4 0.20 . 1 . . . . . . . . 5799 1 153 . 1 1 26 26 ALA C C 13 179.7 0.20 . 1 . . . . . . . . 5799 1 154 . 1 1 27 27 ARG N N 15 117.9 0.20 . 1 . . . . . . . . 5799 1 155 . 1 1 27 27 ARG H H 1 7.65 0.02 . 1 . . . . . . . . 5799 1 156 . 1 1 27 27 ARG CA C 13 59.3 0.20 . 1 . . . . . . . . 5799 1 157 . 1 1 27 27 ARG HA H 1 4.24 0.02 . 1 . . . . . . . . 5799 1 158 . 1 1 27 27 ARG CB C 13 30.4 0.20 . 1 . . . . . . . . 5799 1 159 . 1 1 27 27 ARG C C 13 179.7 0.20 . 1 . . . . . . . . 5799 1 160 . 1 1 28 28 GLU N N 15 117.9 0.20 . 1 . . . . . . . . 5799 1 161 . 1 1 28 28 GLU H H 1 7.58 0.02 . 1 . . . . . . . . 5799 1 162 . 1 1 28 28 GLU CA C 13 57.1 0.20 . 1 . . . . . . . . 5799 1 163 . 1 1 28 28 GLU HA H 1 4.52 0.02 . 1 . . . . . . . . 5799 1 164 . 1 1 28 28 GLU CB C 13 30.1 0.20 . 1 . . . . . . . . 5799 1 165 . 1 1 28 28 GLU C C 13 177.6 0.20 . 1 . . . . . . . . 5799 1 166 . 1 1 29 29 ALA N N 15 118.0 0.20 . 1 . . . . . . . . 5799 1 167 . 1 1 29 29 ALA H H 1 7.50 0.02 . 1 . . . . . . . . 5799 1 168 . 1 1 29 29 ALA CA C 13 51.3 0.20 . 1 . . . . . . . . 5799 1 169 . 1 1 29 29 ALA HA H 1 4.52 0.02 . 1 . . . . . . . . 5799 1 170 . 1 1 29 29 ALA CB C 13 21.7 0.20 . 1 . . . . . . . . 5799 1 171 . 1 1 29 29 ALA HB1 H 1 1.65 0.02 . 1 . . . . . . . . 5799 1 172 . 1 1 29 29 ALA HB2 H 1 1.65 0.02 . 1 . . . . . . . . 5799 1 173 . 1 1 29 29 ALA HB3 H 1 1.65 0.02 . 1 . . . . . . . . 5799 1 174 . 1 1 29 29 ALA C C 13 177.0 0.20 . 1 . . . . . . . . 5799 1 175 . 1 1 30 30 GLY N N 15 106.6 0.20 . 1 . . . . . . . . 5799 1 176 . 1 1 30 30 GLY H H 1 7.73 0.02 . 1 . . . . . . . . 5799 1 177 . 1 1 30 30 GLY CA C 13 46.2 0.20 . 1 . . . . . . . . 5799 1 178 . 1 1 30 30 GLY HA2 H 1 4.28 0.02 . 2 . . . . . . . . 5799 1 179 . 1 1 30 30 GLY C C 13 175.8 0.20 . 1 . . . . . . . . 5799 1 180 . 1 1 31 31 VAL N N 15 111.1 0.20 . 1 . . . . . . . . 5799 1 181 . 1 1 31 31 VAL H H 1 7.53 0.02 . 1 . . . . . . . . 5799 1 182 . 1 1 31 31 VAL CA C 13 59.1 0.20 . 1 . . . . . . . . 5799 1 183 . 1 1 31 31 VAL HA H 1 5.08 0.02 . 1 . . . . . . . . 5799 1 184 . 1 1 31 31 VAL CB C 13 31.5 0.20 . 1 . . . . . . . . 5799 1 185 . 1 1 31 31 VAL HB H 1 2.13 0.02 . 1 . . . . . . . . 5799 1 186 . 1 1 31 31 VAL C C 13 175.6 0.20 . 1 . . . . . . . . 5799 1 187 . 1 1 32 32 GLU N N 15 122.7 0.20 . 1 . . . . . . . . 5799 1 188 . 1 1 32 32 GLU H H 1 8.53 0.02 . 1 . . . . . . . . 5799 1 189 . 1 1 32 32 GLU CA C 13 60.2 0.20 . 1 . . . . . . . . 5799 1 190 . 1 1 32 32 GLU HA H 1 3.75 0.02 . 1 . . . . . . . . 5799 1 191 . 1 1 32 32 GLU CB C 13 30.0 0.20 . 1 . . . . . . . . 5799 1 192 . 1 1 32 32 GLU HB3 H 1 2.05 0.02 . 2 . . . . . . . . 5799 1 193 . 1 1 32 32 GLU C C 13 177.6 0.20 . 1 . . . . . . . . 5799 1 194 . 1 1 33 33 GLU N N 15 118.6 0.20 . 1 . . . . . . . . 5799 1 195 . 1 1 33 33 GLU H H 1 8.74 0.02 . 1 . . . . . . . . 5799 1 196 . 1 1 33 33 GLU CA C 13 59.8 0.20 . 1 . . . . . . . . 5799 1 197 . 1 1 33 33 GLU HA H 1 3.99 0.02 . 1 . . . . . . . . 5799 1 198 . 1 1 33 33 GLU CB C 13 29.1 0.20 . 1 . . . . . . . . 5799 1 199 . 1 1 33 33 GLU C C 13 179.3 0.20 . 1 . . . . . . . . 5799 1 200 . 1 1 34 34 GLU N N 15 119.2 0.20 . 1 . . . . . . . . 5799 1 201 . 1 1 34 34 GLU H H 1 8.38 0.02 . 1 . . . . . . . . 5799 1 202 . 1 1 34 34 GLU CA C 13 59.1 0.20 . 1 . . . . . . . . 5799 1 203 . 1 1 34 34 GLU HA H 1 4.12 0.02 . 1 . . . . . . . . 5799 1 204 . 1 1 34 34 GLU CB C 13 30.0 0.20 . 1 . . . . . . . . 5799 1 205 . 1 1 34 34 GLU C C 13 179.5 0.20 . 1 . . . . . . . . 5799 1 206 . 1 1 35 35 VAL N N 15 118.1 0.20 . 1 . . . . . . . . 5799 1 207 . 1 1 35 35 VAL H H 1 7.96 0.02 . 1 . . . . . . . . 5799 1 208 . 1 1 35 35 VAL CA C 13 67.3 0.20 . 1 . . . . . . . . 5799 1 209 . 1 1 35 35 VAL HA H 1 3.53 0.02 . 1 . . . . . . . . 5799 1 210 . 1 1 35 35 VAL CB C 13 31.8 0.20 . 1 . . . . . . . . 5799 1 211 . 1 1 35 35 VAL C C 13 177.2 0.20 . 1 . . . . . . . . 5799 1 212 . 1 1 36 36 LYS N N 15 118.5 0.20 . 1 . . . . . . . . 5799 1 213 . 1 1 36 36 LYS H H 1 8.85 0.02 . 1 . . . . . . . . 5799 1 214 . 1 1 36 36 LYS CA C 13 59.2 0.20 . 1 . . . . . . . . 5799 1 215 . 1 1 36 36 LYS HA H 1 4.30 0.02 . 1 . . . . . . . . 5799 1 216 . 1 1 36 36 LYS CB C 13 32.9 0.20 . 1 . . . . . . . . 5799 1 217 . 1 1 36 36 LYS HB3 H 1 1.96 0.02 . 2 . . . . . . . . 5799 1 218 . 1 1 36 36 LYS C C 13 180.4 0.20 . 1 . . . . . . . . 5799 1 219 . 1 1 37 37 LYS N N 15 119.3 0.20 . 1 . . . . . . . . 5799 1 220 . 1 1 37 37 LYS H H 1 7.26 0.02 . 1 . . . . . . . . 5799 1 221 . 1 1 37 37 LYS CA C 13 59.4 0.20 . 1 . . . . . . . . 5799 1 222 . 1 1 37 37 LYS HA H 1 4.10 0.02 . 1 . . . . . . . . 5799 1 223 . 1 1 37 37 LYS CB C 13 32.9 0.20 . 1 . . . . . . . . 5799 1 224 . 1 1 37 37 LYS HB3 H 1 2.04 0.02 . 2 . . . . . . . . 5799 1 225 . 1 1 37 37 LYS C C 13 178.5 0.20 . 1 . . . . . . . . 5799 1 226 . 1 1 38 38 ILE N N 15 120.0 0.20 . 1 . . . . . . . . 5799 1 227 . 1 1 38 38 ILE H H 1 7.38 0.02 . 1 . . . . . . . . 5799 1 228 . 1 1 38 38 ILE CA C 13 64.6 0.20 . 1 . . . . . . . . 5799 1 229 . 1 1 38 38 ILE HA H 1 3.84 0.02 . 1 . . . . . . . . 5799 1 230 . 1 1 38 38 ILE CB C 13 38.4 0.20 . 1 . . . . . . . . 5799 1 231 . 1 1 38 38 ILE HB H 1 2.13 0.02 . 1 . . . . . . . . 5799 1 232 . 1 1 38 38 ILE C C 13 178.3 0.20 . 1 . . . . . . . . 5799 1 233 . 1 1 39 39 THR N N 15 119.4 0.20 . 1 . . . . . . . . 5799 1 234 . 1 1 39 39 THR H H 1 9.22 0.02 . 1 . . . . . . . . 5799 1 235 . 1 1 39 39 THR CA C 13 66.2 0.20 . 1 . . . . . . . . 5799 1 236 . 1 1 39 39 THR HA H 1 3.75 0.02 . 1 . . . . . . . . 5799 1 237 . 1 1 39 39 THR CB C 13 68.3 0.20 . 1 . . . . . . . . 5799 1 238 . 1 1 39 39 THR C C 13 176.3 0.20 . 1 . . . . . . . . 5799 1 239 . 1 1 40 40 LYS N N 15 121.2 0.20 . 1 . . . . . . . . 5799 1 240 . 1 1 40 40 LYS H H 1 7.90 0.02 . 1 . . . . . . . . 5799 1 241 . 1 1 40 40 LYS CA C 13 60.0 0.20 . 1 . . . . . . . . 5799 1 242 . 1 1 40 40 LYS HA H 1 4.09 0.02 . 1 . . . . . . . . 5799 1 243 . 1 1 40 40 LYS CB C 13 33.0 0.20 . 1 . . . . . . . . 5799 1 244 . 1 1 40 40 LYS C C 13 178.7 0.20 . 1 . . . . . . . . 5799 1 245 . 1 1 41 41 GLU N N 15 118.1 0.20 . 1 . . . . . . . . 5799 1 246 . 1 1 41 41 GLU H H 1 8.01 0.02 . 1 . . . . . . . . 5799 1 247 . 1 1 41 41 GLU CA C 13 59.7 0.20 . 1 . . . . . . . . 5799 1 248 . 1 1 41 41 GLU HA H 1 4.12 0.02 . 1 . . . . . . . . 5799 1 249 . 1 1 41 41 GLU CB C 13 29.6 0.20 . 1 . . . . . . . . 5799 1 250 . 1 1 41 41 GLU C C 13 180.1 0.20 . 1 . . . . . . . . 5799 1 251 . 1 1 42 42 ALA N N 15 121.8 0.20 . 1 . . . . . . . . 5799 1 252 . 1 1 42 42 ALA H H 1 8.95 0.02 . 1 . . . . . . . . 5799 1 253 . 1 1 42 42 ALA CA C 13 55.3 0.20 . 1 . . . . . . . . 5799 1 254 . 1 1 42 42 ALA HA H 1 4.33 0.02 . 1 . . . . . . . . 5799 1 255 . 1 1 42 42 ALA CB C 13 18.5 0.20 . 1 . . . . . . . . 5799 1 256 . 1 1 42 42 ALA C C 13 182.4 0.20 . 1 . . . . . . . . 5799 1 257 . 1 1 43 43 MET N N 15 119.7 0.20 . 1 . . . . . . . . 5799 1 258 . 1 1 43 43 MET H H 1 8.93 0.02 . 1 . . . . . . . . 5799 1 259 . 1 1 43 43 MET CA C 13 57.3 0.20 . 1 . . . . . . . . 5799 1 260 . 1 1 43 43 MET HA H 1 4.78 0.02 . 1 . . . . . . . . 5799 1 261 . 1 1 43 43 MET CB C 13 34.7 0.20 . 1 . . . . . . . . 5799 1 262 . 1 1 43 43 MET C C 13 178.9 0.20 . 1 . . . . . . . . 5799 1 263 . 1 1 44 44 GLU N N 15 116.5 0.20 . 1 . . . . . . . . 5799 1 264 . 1 1 44 44 GLU H H 1 8.24 0.02 . 1 . . . . . . . . 5799 1 265 . 1 1 44 44 GLU CA C 13 56.8 0.20 . 1 . . . . . . . . 5799 1 266 . 1 1 44 44 GLU HA H 1 4.38 0.02 . 1 . . . . . . . . 5799 1 267 . 1 1 44 44 GLU CB C 13 31.0 0.20 . 1 . . . . . . . . 5799 1 268 . 1 1 44 44 GLU HB3 H 1 2.30 0.02 . 2 . . . . . . . . 5799 1 269 . 1 1 44 44 GLU C C 13 177.9 0.20 . 1 . . . . . . . . 5799 1 270 . 1 1 45 45 GLY N N 15 106.9 0.20 . 1 . . . . . . . . 5799 1 271 . 1 1 45 45 GLY H H 1 7.86 0.02 . 1 . . . . . . . . 5799 1 272 . 1 1 45 45 GLY CA C 13 45.3 0.20 . 1 . . . . . . . . 5799 1 273 . 1 1 45 45 GLY HA2 H 1 4.28 0.02 . 2 . . . . . . . . 5799 1 274 . 1 1 45 45 GLY C C 13 174.6 0.20 . 1 . . . . . . . . 5799 1 275 . 1 1 46 46 LYS N N 15 118.5 0.20 . 1 . . . . . . . . 5799 1 276 . 1 1 46 46 LYS H H 1 8.25 0.02 . 1 . . . . . . . . 5799 1 277 . 1 1 46 46 LYS CA C 13 56.9 0.20 . 1 . . . . . . . . 5799 1 278 . 1 1 46 46 LYS HA H 1 4.32 0.02 . 1 . . . . . . . . 5799 1 279 . 1 1 46 46 LYS CB C 13 33.7 0.20 . 1 . . . . . . . . 5799 1 280 . 1 1 46 46 LYS HB3 H 1 1.80 0.02 . 2 . . . . . . . . 5799 1 281 . 1 1 46 46 LYS C C 13 175.6 0.20 . 1 . . . . . . . . 5799 1 282 . 1 1 47 47 LEU N N 15 115.2 0.20 . 1 . . . . . . . . 5799 1 283 . 1 1 47 47 LEU H H 1 6.81 0.02 . 1 . . . . . . . . 5799 1 284 . 1 1 47 47 LEU CA C 13 52.6 0.20 . 1 . . . . . . . . 5799 1 285 . 1 1 47 47 LEU HA H 1 4.76 0.02 . 1 . . . . . . . . 5799 1 286 . 1 1 47 47 LEU C C 13 176.0 0.20 . 1 . . . . . . . . 5799 1 287 . 1 1 48 48 ASN N N 15 122.5 0.20 . 1 . . . . . . . . 5799 1 288 . 1 1 48 48 ASN H H 1 8.65 0.02 . 1 . . . . . . . . 5799 1 289 . 1 1 48 48 ASN CA C 13 53.8 0.20 . 1 . . . . . . . . 5799 1 290 . 1 1 48 48 ASN CB C 13 40.4 0.20 . 1 . . . . . . . . 5799 1 291 . 1 1 48 48 ASN C C 13 175.7 0.20 . 1 . . . . . . . . 5799 1 292 . 1 1 49 49 PHE N N 15 128.7 0.20 . 1 . . . . . . . . 5799 1 293 . 1 1 49 49 PHE H H 1 9.64 0.02 . 1 . . . . . . . . 5799 1 294 . 1 1 49 49 PHE CA C 13 63.2 0.20 . 1 . . . . . . . . 5799 1 295 . 1 1 49 49 PHE HA H 1 3.97 0.02 . 1 . . . . . . . . 5799 1 296 . 1 1 49 49 PHE CB C 13 39.1 0.20 . 1 . . . . . . . . 5799 1 297 . 1 1 49 49 PHE C C 13 178.0 0.20 . 1 . . . . . . . . 5799 1 298 . 1 1 50 50 GLU N N 15 124.5 0.20 . 1 . . . . . . . . 5799 1 299 . 1 1 50 50 GLU H H 1 9.21 0.02 . 1 . . . . . . . . 5799 1 300 . 1 1 50 50 GLU CA C 13 60.2 0.20 . 1 . . . . . . . . 5799 1 301 . 1 1 50 50 GLU HA H 1 3.62 0.02 . 1 . . . . . . . . 5799 1 302 . 1 1 50 50 GLU CB C 13 28.7 0.20 . 1 . . . . . . . . 5799 1 303 . 1 1 50 50 GLU C C 13 178.9 0.20 . 1 . . . . . . . . 5799 1 304 . 1 1 51 51 GLN N N 15 118.1 0.20 . 1 . . . . . . . . 5799 1 305 . 1 1 51 51 GLN H H 1 8.84 0.02 . 1 . . . . . . . . 5799 1 306 . 1 1 51 51 GLN CA C 13 58.7 0.20 . 1 . . . . . . . . 5799 1 307 . 1 1 51 51 GLN HA H 1 4.03 0.02 . 1 . . . . . . . . 5799 1 308 . 1 1 51 51 GLN CB C 13 28.6 0.20 . 1 . . . . . . . . 5799 1 309 . 1 1 51 51 GLN C C 13 179.7 0.20 . 1 . . . . . . . . 5799 1 310 . 1 1 52 52 SER N N 15 115.9 0.20 . 1 . . . . . . . . 5799 1 311 . 1 1 52 52 SER H H 1 8.38 0.02 . 1 . . . . . . . . 5799 1 312 . 1 1 52 52 SER CA C 13 61.2 0.20 . 1 . . . . . . . . 5799 1 313 . 1 1 52 52 SER HA H 1 4.20 0.02 . 1 . . . . . . . . 5799 1 314 . 1 1 52 52 SER CB C 13 62.8 0.20 . 1 . . . . . . . . 5799 1 315 . 1 1 52 52 SER C C 13 177.5 0.20 . 1 . . . . . . . . 5799 1 316 . 1 1 53 53 LEU N N 15 132.5 0.20 . 1 . . . . . . . . 5799 1 317 . 1 1 53 53 LEU H H 1 8.44 0.02 . 1 . . . . . . . . 5799 1 318 . 1 1 53 53 LEU CA C 13 57.5 0.20 . 1 . . . . . . . . 5799 1 319 . 1 1 53 53 LEU HA H 1 4.06 0.02 . 1 . . . . . . . . 5799 1 320 . 1 1 53 53 LEU CB C 13 42.0 0.20 . 1 . . . . . . . . 5799 1 321 . 1 1 53 53 LEU C C 13 178.3 0.20 . 1 . . . . . . . . 5799 1 322 . 1 1 54 54 ARG N N 15 118.2 0.20 . 1 . . . . . . . . 5799 1 323 . 1 1 54 54 ARG H H 1 8.50 0.02 . 1 . . . . . . . . 5799 1 324 . 1 1 54 54 ARG CA C 13 60.0 0.20 . 1 . . . . . . . . 5799 1 325 . 1 1 54 54 ARG CB C 13 29.3 0.20 . 1 . . . . . . . . 5799 1 326 . 1 1 54 54 ARG C C 13 180.5 0.20 . 1 . . . . . . . . 5799 1 327 . 1 1 55 55 LYS N N 15 119.0 0.20 . 1 . . . . . . . . 5799 1 328 . 1 1 55 55 LYS H H 1 8.33 0.02 . 1 . . . . . . . . 5799 1 329 . 1 1 55 55 LYS CA C 13 58.7 0.20 . 1 . . . . . . . . 5799 1 330 . 1 1 55 55 LYS HA H 1 4.23 0.02 . 1 . . . . . . . . 5799 1 331 . 1 1 55 55 LYS CB C 13 32.6 0.20 . 1 . . . . . . . . 5799 1 332 . 1 1 55 55 LYS HB3 H 1 1.93 0.02 . 2 . . . . . . . . 5799 1 333 . 1 1 55 55 LYS C C 13 179.5 0.20 . 1 . . . . . . . . 5799 1 334 . 1 1 56 56 ARG N N 15 116.9 0.20 . 1 . . . . . . . . 5799 1 335 . 1 1 56 56 ARG H H 1 7.52 0.02 . 1 . . . . . . . . 5799 1 336 . 1 1 56 56 ARG CA C 13 60.5 0.20 . 1 . . . . . . . . 5799 1 337 . 1 1 56 56 ARG HA H 1 3.91 0.02 . 1 . . . . . . . . 5799 1 338 . 1 1 56 56 ARG CB C 13 32.0 0.20 . 1 . . . . . . . . 5799 1 339 . 1 1 56 56 ARG C C 13 177.2 0.20 . 1 . . . . . . . . 5799 1 340 . 1 1 57 57 VAL N N 15 115.3 0.20 . 1 . . . . . . . . 5799 1 341 . 1 1 57 57 VAL H H 1 8.48 0.02 . 1 . . . . . . . . 5799 1 342 . 1 1 57 57 VAL CA C 13 66.0 0.20 . 1 . . . . . . . . 5799 1 343 . 1 1 57 57 VAL HA H 1 3.52 0.02 . 1 . . . . . . . . 5799 1 344 . 1 1 57 57 VAL CB C 13 31.1 0.20 . 1 . . . . . . . . 5799 1 345 . 1 1 57 57 VAL HB H 1 2.04 0.02 . 1 . . . . . . . . 5799 1 346 . 1 1 57 57 VAL C C 13 178.8 0.20 . 1 . . . . . . . . 5799 1 347 . 1 1 58 58 SER N N 15 116.6 0.20 . 1 . . . . . . . . 5799 1 348 . 1 1 58 58 SER H H 1 7.98 0.02 . 1 . . . . . . . . 5799 1 349 . 1 1 58 58 SER CA C 13 62.2 0.20 . 1 . . . . . . . . 5799 1 350 . 1 1 58 58 SER HA H 1 4.44 0.02 . 1 . . . . . . . . 5799 1 351 . 1 1 58 58 SER C C 13 177.3 0.20 . 1 . . . . . . . . 5799 1 352 . 1 1 59 59 LEU N N 15 120.4 0.20 . 1 . . . . . . . . 5799 1 353 . 1 1 59 59 LEU H H 1 7.09 0.02 . 1 . . . . . . . . 5799 1 354 . 1 1 59 59 LEU CA C 13 56.2 0.20 . 1 . . . . . . . . 5799 1 355 . 1 1 59 59 LEU HA H 1 4.31 0.02 . 1 . . . . . . . . 5799 1 356 . 1 1 59 59 LEU CB C 13 42.1 0.20 . 1 . . . . . . . . 5799 1 357 . 1 1 59 59 LEU HB3 H 1 1.57 0.02 . 2 . . . . . . . . 5799 1 358 . 1 1 59 59 LEU C C 13 177.0 0.20 . 1 . . . . . . . . 5799 1 359 . 1 1 60 60 LEU N N 15 116.8 0.20 . 1 . . . . . . . . 5799 1 360 . 1 1 60 60 LEU H H 1 7.71 0.02 . 1 . . . . . . . . 5799 1 361 . 1 1 60 60 LEU CA C 13 52.8 0.20 . 1 . . . . . . . . 5799 1 362 . 1 1 60 60 LEU HA H 1 4.28 0.02 . 1 . . . . . . . . 5799 1 363 . 1 1 60 60 LEU CB C 13 41.6 0.20 . 1 . . . . . . . . 5799 1 364 . 1 1 60 60 LEU HB2 H 1 1.66 0.02 . 2 . . . . . . . . 5799 1 365 . 1 1 60 60 LEU HB3 H 1 1.93 0.02 . 2 . . . . . . . . 5799 1 366 . 1 1 60 60 LEU C C 13 174.9 0.20 . 1 . . . . . . . . 5799 1 367 . 1 1 61 61 LYS N N 15 117.7 0.20 . 1 . . . . . . . . 5799 1 368 . 1 1 61 61 LYS H H 1 6.77 0.02 . 1 . . . . . . . . 5799 1 369 . 1 1 61 61 LYS CA C 13 58.6 0.20 . 1 . . . . . . . . 5799 1 370 . 1 1 61 61 LYS HA H 1 3.33 0.02 . 1 . . . . . . . . 5799 1 371 . 1 1 61 61 LYS CB C 13 33.0 0.20 . 1 . . . . . . . . 5799 1 372 . 1 1 61 61 LYS HB3 H 1 1.80 0.02 . 2 . . . . . . . . 5799 1 373 . 1 1 61 61 LYS C C 13 176.3 0.20 . 1 . . . . . . . . 5799 1 374 . 1 1 62 62 ASP N N 15 118.9 0.20 . 1 . . . . . . . . 5799 1 375 . 1 1 62 62 ASP H H 1 8.71 0.02 . 1 . . . . . . . . 5799 1 376 . 1 1 62 62 ASP CA C 13 57.0 0.20 . 1 . . . . . . . . 5799 1 377 . 1 1 62 62 ASP HA H 1 4.31 0.02 . 1 . . . . . . . . 5799 1 378 . 1 1 62 62 ASP CB C 13 39.3 0.20 . 1 . . . . . . . . 5799 1 379 . 1 1 62 62 ASP HB2 H 1 2.99 0.02 . 2 . . . . . . . . 5799 1 380 . 1 1 62 62 ASP HB3 H 1 3.32 0.02 . 2 . . . . . . . . 5799 1 381 . 1 1 62 62 ASP C C 13 175.0 0.20 . 1 . . . . . . . . 5799 1 382 . 1 1 63 63 LEU N N 15 124.4 0.20 . 1 . . . . . . . . 5799 1 383 . 1 1 63 63 LEU H H 1 7.97 0.02 . 1 . . . . . . . . 5799 1 384 . 1 1 63 63 LEU CA C 13 53.6 0.20 . 1 . . . . . . . . 5799 1 385 . 1 1 63 63 LEU HA H 1 4.65 0.02 . 1 . . . . . . . . 5799 1 386 . 1 1 64 64 PRO CA C 13 63.1 0.20 . 1 . . . . . . . . 5799 1 387 . 1 1 64 64 PRO HA H 1 4.94 0.02 . 1 . . . . . . . . 5799 1 388 . 1 1 64 64 PRO CB C 13 33.6 0.20 . 1 . . . . . . . . 5799 1 389 . 1 1 64 64 PRO C C 13 179.6 0.20 . 1 . . . . . . . . 5799 1 390 . 1 1 65 65 ILE N N 15 124.6 0.20 . 1 . . . . . . . . 5799 1 391 . 1 1 65 65 ILE H H 1 8.62 0.02 . 1 . . . . . . . . 5799 1 392 . 1 1 65 65 ILE CA C 13 61.7 0.20 . 1 . . . . . . . . 5799 1 393 . 1 1 65 65 ILE HA H 1 4.03 0.02 . 1 . . . . . . . . 5799 1 394 . 1 1 65 65 ILE CB C 13 39.0 0.20 . 1 . . . . . . . . 5799 1 395 . 1 1 65 65 ILE HB H 1 1.66 0.02 . 1 . . . . . . . . 5799 1 396 . 1 1 65 65 ILE C C 13 177.1 0.20 . 1 . . . . . . . . 5799 1 397 . 1 1 66 66 GLU N N 15 122.1 0.20 . 1 . . . . . . . . 5799 1 398 . 1 1 66 66 GLU H H 1 9.40 0.02 . 1 . . . . . . . . 5799 1 399 . 1 1 66 66 GLU CA C 13 59.7 0.20 . 1 . . . . . . . . 5799 1 400 . 1 1 66 66 GLU HA H 1 4.27 0.02 . 1 . . . . . . . . 5799 1 401 . 1 1 66 66 GLU CB C 13 28.9 0.20 . 1 . . . . . . . . 5799 1 402 . 1 1 66 66 GLU C C 13 180.1 0.20 . 1 . . . . . . . . 5799 1 403 . 1 1 67 67 LYS N N 15 117.8 0.20 . 1 . . . . . . . . 5799 1 404 . 1 1 67 67 LYS H H 1 7.64 0.02 . 1 . . . . . . . . 5799 1 405 . 1 1 67 67 LYS CA C 13 58.7 0.20 . 1 . . . . . . . . 5799 1 406 . 1 1 67 67 LYS HA H 1 4.25 0.02 . 1 . . . . . . . . 5799 1 407 . 1 1 67 67 LYS CB C 13 32.7 0.20 . 1 . . . . . . . . 5799 1 408 . 1 1 67 67 LYS HB2 H 1 1.94 0.02 . 2 . . . . . . . . 5799 1 409 . 1 1 67 67 LYS HB3 H 1 2.20 0.02 . 2 . . . . . . . . 5799 1 410 . 1 1 67 67 LYS C C 13 178.6 0.20 . 1 . . . . . . . . 5799 1 411 . 1 1 68 68 VAL N N 15 120.5 0.20 . 1 . . . . . . . . 5799 1 412 . 1 1 68 68 VAL H H 1 7.28 0.02 . 1 . . . . . . . . 5799 1 413 . 1 1 68 68 VAL CA C 13 66.3 0.20 . 1 . . . . . . . . 5799 1 414 . 1 1 68 68 VAL HA H 1 3.54 0.02 . 1 . . . . . . . . 5799 1 415 . 1 1 68 68 VAL CB C 13 31.4 0.20 . 1 . . . . . . . . 5799 1 416 . 1 1 68 68 VAL C C 13 178.1 0.20 . 1 . . . . . . . . 5799 1 417 . 1 1 69 69 GLU N N 15 117.4 0.20 . 1 . . . . . . . . 5799 1 418 . 1 1 69 69 GLU H H 1 8.16 0.02 . 1 . . . . . . . . 5799 1 419 . 1 1 69 69 GLU CA C 13 59.5 0.20 . 1 . . . . . . . . 5799 1 420 . 1 1 69 69 GLU HA H 1 3.93 0.02 . 1 . . . . . . . . 5799 1 421 . 1 1 69 69 GLU CB C 13 29.6 0.20 . 1 . . . . . . . . 5799 1 422 . 1 1 69 69 GLU HB3 H 1 2.12 0.02 . 2 . . . . . . . . 5799 1 423 . 1 1 69 69 GLU C C 13 179.1 0.20 . 1 . . . . . . . . 5799 1 424 . 1 1 70 70 LYS N N 15 119.0 0.20 . 1 . . . . . . . . 5799 1 425 . 1 1 70 70 LYS H H 1 7.49 0.02 . 1 . . . . . . . . 5799 1 426 . 1 1 70 70 LYS CA C 13 59.4 0.20 . 1 . . . . . . . . 5799 1 427 . 1 1 70 70 LYS HA H 1 3.99 0.02 . 1 . . . . . . . . 5799 1 428 . 1 1 70 70 LYS CB C 13 33.4 0.20 . 1 . . . . . . . . 5799 1 429 . 1 1 70 70 LYS HB3 H 1 2.05 0.02 . 2 . . . . . . . . 5799 1 430 . 1 1 70 70 LYS C C 13 178.9 0.20 . 1 . . . . . . . . 5799 1 431 . 1 1 71 71 ALA N N 15 121.1 0.20 . 1 . . . . . . . . 5799 1 432 . 1 1 71 71 ALA H H 1 7.55 0.02 . 1 . . . . . . . . 5799 1 433 . 1 1 71 71 ALA CA C 13 54.6 0.20 . 1 . . . . . . . . 5799 1 434 . 1 1 71 71 ALA HA H 1 4.11 0.02 . 1 . . . . . . . . 5799 1 435 . 1 1 71 71 ALA CB C 13 19.5 0.20 . 1 . . . . . . . . 5799 1 436 . 1 1 71 71 ALA HB1 H 1 1.58 0.02 . 1 . . . . . . . . 5799 1 437 . 1 1 71 71 ALA HB2 H 1 1.58 0.02 . 1 . . . . . . . . 5799 1 438 . 1 1 71 71 ALA HB3 H 1 1.58 0.02 . 1 . . . . . . . . 5799 1 439 . 1 1 71 71 ALA C C 13 179.9 0.20 . 1 . . . . . . . . 5799 1 440 . 1 1 72 72 ILE N N 15 113.4 0.20 . 1 . . . . . . . . 5799 1 441 . 1 1 72 72 ILE H H 1 8.04 0.02 . 1 . . . . . . . . 5799 1 442 . 1 1 72 72 ILE CA C 13 63.2 0.20 . 1 . . . . . . . . 5799 1 443 . 1 1 72 72 ILE HA H 1 3.92 0.02 . 1 . . . . . . . . 5799 1 444 . 1 1 72 72 ILE CB C 13 37.7 0.20 . 1 . . . . . . . . 5799 1 445 . 1 1 72 72 ILE HB H 1 2.21 0.02 . 1 . . . . . . . . 5799 1 446 . 1 1 72 72 ILE C C 13 178.8 0.20 . 1 . . . . . . . . 5799 1 447 . 1 1 73 73 LYS N N 15 120.9 0.20 . 1 . . . . . . . . 5799 1 448 . 1 1 73 73 LYS H H 1 7.62 0.02 . 1 . . . . . . . . 5799 1 449 . 1 1 73 73 LYS CA C 13 58.5 0.20 . 1 . . . . . . . . 5799 1 450 . 1 1 73 73 LYS HA H 1 4.17 0.02 . 1 . . . . . . . . 5799 1 451 . 1 1 73 73 LYS CB C 13 32.8 0.20 . 1 . . . . . . . . 5799 1 452 . 1 1 73 73 LYS HB3 H 1 2.05 0.02 . 2 . . . . . . . . 5799 1 453 . 1 1 73 73 LYS C C 13 177.6 0.20 . 1 . . . . . . . . 5799 1 454 . 1 1 74 74 ARG N N 15 115.1 0.20 . 1 . . . . . . . . 5799 1 455 . 1 1 74 74 ARG H H 1 7.47 0.02 . 1 . . . . . . . . 5799 1 456 . 1 1 74 74 ARG CA C 13 57.2 0.20 . 1 . . . . . . . . 5799 1 457 . 1 1 74 74 ARG HA H 1 4.30 0.02 . 1 . . . . . . . . 5799 1 458 . 1 1 74 74 ARG CB C 13 31.4 0.20 . 1 . . . . . . . . 5799 1 459 . 1 1 74 74 ARG C C 13 176.9 0.20 . 1 . . . . . . . . 5799 1 460 . 1 1 75 75 ILE N N 15 120.3 0.20 . 1 . . . . . . . . 5799 1 461 . 1 1 75 75 ILE H H 1 7.41 0.02 . 1 . . . . . . . . 5799 1 462 . 1 1 75 75 ILE CA C 13 61.7 0.20 . 1 . . . . . . . . 5799 1 463 . 1 1 75 75 ILE HA H 1 3.84 0.02 . 1 . . . . . . . . 5799 1 464 . 1 1 75 75 ILE CB C 13 36.8 0.20 . 1 . . . . . . . . 5799 1 465 . 1 1 75 75 ILE HB H 1 2.17 0.02 . 1 . . . . . . . . 5799 1 466 . 1 1 75 75 ILE C C 13 176.4 0.20 . 1 . . . . . . . . 5799 1 467 . 1 1 76 76 THR N N 15 121.9 0.20 . 1 . . . . . . . . 5799 1 468 . 1 1 76 76 THR H H 1 8.65 0.02 . 1 . . . . . . . . 5799 1 469 . 1 1 76 76 THR CA C 13 57.7 0.20 . 1 . . . . . . . . 5799 1 470 . 1 1 76 76 THR HA H 1 5.01 0.02 . 1 . . . . . . . . 5799 1 471 . 1 1 77 77 PRO CA C 13 62.7 0.20 . 1 . . . . . . . . 5799 1 472 . 1 1 77 77 PRO HA H 1 4.70 0.02 . 1 . . . . . . . . 5799 1 473 . 1 1 77 77 PRO CB C 13 32.5 0.20 . 1 . . . . . . . . 5799 1 474 . 1 1 77 77 PRO HB3 H 1 2.08 0.02 . 2 . . . . . . . . 5799 1 475 . 1 1 77 77 PRO C C 13 175.3 0.20 . 1 . . . . . . . . 5799 1 476 . 1 1 78 78 THR N N 15 125.3 0.20 . 1 . . . . . . . . 5799 1 477 . 1 1 78 78 THR H H 1 8.76 0.02 . 1 . . . . . . . . 5799 1 478 . 1 1 78 78 THR CA C 13 62.4 0.20 . 1 . . . . . . . . 5799 1 479 . 1 1 78 78 THR HA H 1 3.91 0.02 . 1 . . . . . . . . 5799 1 480 . 1 1 78 78 THR CB C 13 69.6 0.20 . 1 . . . . . . . . 5799 1 481 . 1 1 78 78 THR HB H 1 3.67 0.02 . 1 . . . . . . . . 5799 1 482 . 1 1 78 78 THR C C 13 173.2 0.20 . 1 . . . . . . . . 5799 1 483 . 1 1 79 79 GLU N N 15 128.9 0.20 . 1 . . . . . . . . 5799 1 484 . 1 1 79 79 GLU H H 1 8.94 0.02 . 1 . . . . . . . . 5799 1 485 . 1 1 79 79 GLU CA C 13 58.1 0.20 . 1 . . . . . . . . 5799 1 486 . 1 1 79 79 GLU HA H 1 4.22 0.02 . 1 . . . . . . . . 5799 1 487 . 1 1 79 79 GLU CB C 13 29.8 0.20 . 1 . . . . . . . . 5799 1 488 . 1 1 79 79 GLU HB3 H 1 2.35 0.02 . 2 . . . . . . . . 5799 1 489 . 1 1 79 79 GLU C C 13 176.3 0.20 . 1 . . . . . . . . 5799 1 490 . 1 1 80 80 GLY N N 15 112.9 0.20 . 1 . . . . . . . . 5799 1 491 . 1 1 80 80 GLY H H 1 8.97 0.02 . 1 . . . . . . . . 5799 1 492 . 1 1 80 80 GLY CA C 13 45.3 0.20 . 1 . . . . . . . . 5799 1 493 . 1 1 80 80 GLY HA3 H 1 3.95 0.02 . 2 . . . . . . . . 5799 1 494 . 1 1 80 80 GLY HA2 H 1 4.45 0.02 . 2 . . . . . . . . 5799 1 495 . 1 1 80 80 GLY C C 13 177.0 0.20 . 1 . . . . . . . . 5799 1 496 . 1 1 81 81 ALA N N 15 125.6 0.20 . 1 . . . . . . . . 5799 1 497 . 1 1 81 81 ALA H H 1 8.50 0.02 . 1 . . . . . . . . 5799 1 498 . 1 1 81 81 ALA CA C 13 56.7 0.20 . 1 . . . . . . . . 5799 1 499 . 1 1 81 81 ALA HA H 1 3.71 0.02 . 1 . . . . . . . . 5799 1 500 . 1 1 81 81 ALA CB C 13 19.3 0.20 . 1 . . . . . . . . 5799 1 501 . 1 1 81 81 ALA HB1 H 1 1.46 0.02 . 1 . . . . . . . . 5799 1 502 . 1 1 81 81 ALA HB2 H 1 1.46 0.02 . 1 . . . . . . . . 5799 1 503 . 1 1 81 81 ALA HB3 H 1 1.46 0.02 . 1 . . . . . . . . 5799 1 504 . 1 1 81 81 ALA C C 13 178.3 0.20 . 1 . . . . . . . . 5799 1 505 . 1 1 82 82 GLU N N 15 117.7 0.20 . 1 . . . . . . . . 5799 1 506 . 1 1 82 82 GLU H H 1 9.22 0.02 . 1 . . . . . . . . 5799 1 507 . 1 1 82 82 GLU CA C 13 60.6 0.20 . 1 . . . . . . . . 5799 1 508 . 1 1 82 82 GLU HA H 1 3.83 0.02 . 1 . . . . . . . . 5799 1 509 . 1 1 82 82 GLU CB C 13 29.3 0.20 . 1 . . . . . . . . 5799 1 510 . 1 1 82 82 GLU C C 13 179.4 0.20 . 1 . . . . . . . . 5799 1 511 . 1 1 83 83 GLU N N 15 119.1 0.20 . 1 . . . . . . . . 5799 1 512 . 1 1 83 83 GLU H H 1 8.96 0.02 . 1 . . . . . . . . 5799 1 513 . 1 1 83 83 GLU CA C 13 59.5 0.20 . 1 . . . . . . . . 5799 1 514 . 1 1 83 83 GLU HA H 1 3.97 0.02 . 1 . . . . . . . . 5799 1 515 . 1 1 83 83 GLU CB C 13 29.8 0.20 . 1 . . . . . . . . 5799 1 516 . 1 1 83 83 GLU HB3 H 1 1.79 0.02 . 2 . . . . . . . . 5799 1 517 . 1 1 83 83 GLU C C 13 179.5 0.20 . 1 . . . . . . . . 5799 1 518 . 1 1 84 84 THR N N 15 117.1 0.20 . 1 . . . . . . . . 5799 1 519 . 1 1 84 84 THR H H 1 8.08 0.02 . 1 . . . . . . . . 5799 1 520 . 1 1 84 84 THR CA C 13 67.9 0.20 . 1 . . . . . . . . 5799 1 521 . 1 1 84 84 THR HA H 1 4.59 0.02 . 1 . . . . . . . . 5799 1 522 . 1 1 84 84 THR CB C 13 76.6 0.20 . 1 . . . . . . . . 5799 1 523 . 1 1 84 84 THR HB H 1 4.46 0.02 . 1 . . . . . . . . 5799 1 524 . 1 1 84 84 THR C C 13 176.0 0.20 . 1 . . . . . . . . 5799 1 525 . 1 1 85 85 ILE N N 15 121.2 0.20 . 1 . . . . . . . . 5799 1 526 . 1 1 85 85 ILE H H 1 8.40 0.02 . 1 . . . . . . . . 5799 1 527 . 1 1 85 85 ILE CA C 13 64.4 0.20 . 1 . . . . . . . . 5799 1 528 . 1 1 85 85 ILE HA H 1 3.65 0.02 . 1 . . . . . . . . 5799 1 529 . 1 1 85 85 ILE CB C 13 36.5 0.20 . 1 . . . . . . . . 5799 1 530 . 1 1 85 85 ILE C C 13 177.6 0.20 . 1 . . . . . . . . 5799 1 531 . 1 1 86 86 LYS N N 15 118.7 0.20 . 1 . . . . . . . . 5799 1 532 . 1 1 86 86 LYS H H 1 7.74 0.02 . 1 . . . . . . . . 5799 1 533 . 1 1 86 86 LYS CA C 13 59.8 0.20 . 1 . . . . . . . . 5799 1 534 . 1 1 86 86 LYS HA H 1 4.03 0.02 . 1 . . . . . . . . 5799 1 535 . 1 1 86 86 LYS CB C 13 32.6 0.20 . 1 . . . . . . . . 5799 1 536 . 1 1 86 86 LYS HB3 H 1 2.01 0.02 . 2 . . . . . . . . 5799 1 537 . 1 1 86 86 LYS C C 13 179.5 0.20 . 1 . . . . . . . . 5799 1 538 . 1 1 87 87 GLU N N 15 119.2 0.20 . 1 . . . . . . . . 5799 1 539 . 1 1 87 87 GLU H H 1 7.79 0.02 . 1 . . . . . . . . 5799 1 540 . 1 1 87 87 GLU CA C 13 58.1 0.20 . 1 . . . . . . . . 5799 1 541 . 1 1 87 87 GLU HA H 1 4.45 0.02 . 1 . . . . . . . . 5799 1 542 . 1 1 87 87 GLU CB C 13 29.0 0.20 . 1 . . . . . . . . 5799 1 543 . 1 1 87 87 GLU HB2 H 1 2.34 0.02 . 2 . . . . . . . . 5799 1 544 . 1 1 87 87 GLU HB3 H 1 2.75 0.02 . 2 . . . . . . . . 5799 1 545 . 1 1 87 87 GLU C C 13 179.3 0.20 . 1 . . . . . . . . 5799 1 546 . 1 1 88 88 LEU N N 15 120.1 0.20 . 1 . . . . . . . . 5799 1 547 . 1 1 88 88 LEU H H 1 8.61 0.02 . 1 . . . . . . . . 5799 1 548 . 1 1 88 88 LEU CA C 13 58.0 0.20 . 1 . . . . . . . . 5799 1 549 . 1 1 88 88 LEU HA H 1 3.88 0.02 . 1 . . . . . . . . 5799 1 550 . 1 1 88 88 LEU CB C 13 41.6 0.20 . 1 . . . . . . . . 5799 1 551 . 1 1 88 88 LEU C C 13 180.2 0.20 . 1 . . . . . . . . 5799 1 552 . 1 1 89 89 LYS N N 15 119.8 0.20 . 1 . . . . . . . . 5799 1 553 . 1 1 89 89 LYS H H 1 8.47 0.02 . 1 . . . . . . . . 5799 1 554 . 1 1 89 89 LYS CA C 13 59.8 0.20 . 1 . . . . . . . . 5799 1 555 . 1 1 89 89 LYS HA H 1 4.48 0.02 . 1 . . . . . . . . 5799 1 556 . 1 1 89 89 LYS CB C 13 31.6 0.20 . 1 . . . . . . . . 5799 1 557 . 1 1 89 89 LYS C C 13 181.7 0.20 . 1 . . . . . . . . 5799 1 558 . 1 1 90 90 ASN N N 15 120.9 0.20 . 1 . . . . . . . . 5799 1 559 . 1 1 90 90 ASN H H 1 8.10 0.02 . 1 . . . . . . . . 5799 1 560 . 1 1 90 90 ASN CA C 13 55.6 0.20 . 1 . . . . . . . . 5799 1 561 . 1 1 90 90 ASN HA H 1 4.65 0.02 . 1 . . . . . . . . 5799 1 562 . 1 1 90 90 ASN CB C 13 38.6 0.20 . 1 . . . . . . . . 5799 1 563 . 1 1 90 90 ASN HB3 H 1 3.13 0.02 . 2 . . . . . . . . 5799 1 564 . 1 1 90 90 ASN C C 13 177.3 0.20 . 1 . . . . . . . . 5799 1 565 . 1 1 91 91 ARG N N 15 117.9 0.20 . 1 . . . . . . . . 5799 1 566 . 1 1 91 91 ARG H H 1 7.86 0.02 . 1 . . . . . . . . 5799 1 567 . 1 1 91 91 ARG CA C 13 56.4 0.20 . 1 . . . . . . . . 5799 1 568 . 1 1 91 91 ARG HA H 1 4.46 0.02 . 1 . . . . . . . . 5799 1 569 . 1 1 91 91 ARG CB C 13 31.0 0.20 . 1 . . . . . . . . 5799 1 570 . 1 1 91 91 ARG HB2 H 1 1.87 0.02 . 2 . . . . . . . . 5799 1 571 . 1 1 91 91 ARG HB3 H 1 2.34 0.02 . 2 . . . . . . . . 5799 1 572 . 1 1 91 91 ARG C C 13 175.9 0.20 . 1 . . . . . . . . 5799 1 573 . 1 1 92 92 GLY N N 15 106.6 0.20 . 1 . . . . . . . . 5799 1 574 . 1 1 92 92 GLY H H 1 7.95 0.02 . 1 . . . . . . . . 5799 1 575 . 1 1 92 92 GLY CA C 13 45.5 0.20 . 1 . . . . . . . . 5799 1 576 . 1 1 92 92 GLY HA2 H 1 3.91 0.02 . 2 . . . . . . . . 5799 1 577 . 1 1 92 92 GLY C C 13 174.7 0.20 . 1 . . . . . . . . 5799 1 578 . 1 1 93 93 TYR N N 15 118.7 0.20 . 1 . . . . . . . . 5799 1 579 . 1 1 93 93 TYR H H 1 8.04 0.02 . 1 . . . . . . . . 5799 1 580 . 1 1 93 93 TYR CA C 13 58.0 0.20 . 1 . . . . . . . . 5799 1 581 . 1 1 93 93 TYR HA H 1 4.56 0.02 . 1 . . . . . . . . 5799 1 582 . 1 1 93 93 TYR CB C 13 38.0 0.20 . 1 . . . . . . . . 5799 1 583 . 1 1 93 93 TYR HB3 H 1 2.71 0.02 . 2 . . . . . . . . 5799 1 584 . 1 1 93 93 TYR C C 13 177.0 0.20 . 1 . . . . . . . . 5799 1 585 . 1 1 94 94 VAL N N 15 123.8 0.20 . 1 . . . . . . . . 5799 1 586 . 1 1 94 94 VAL H H 1 8.88 0.02 . 1 . . . . . . . . 5799 1 587 . 1 1 94 94 VAL CA C 13 62.6 0.20 . 1 . . . . . . . . 5799 1 588 . 1 1 94 94 VAL HA H 1 4.26 0.02 . 1 . . . . . . . . 5799 1 589 . 1 1 94 94 VAL CB C 13 32.9 0.20 . 1 . . . . . . . . 5799 1 590 . 1 1 94 94 VAL C C 13 175.9 0.20 . 1 . . . . . . . . 5799 1 591 . 1 1 95 95 VAL N N 15 126.8 0.20 . 1 . . . . . . . . 5799 1 592 . 1 1 95 95 VAL H H 1 9.87 0.02 . 1 . . . . . . . . 5799 1 593 . 1 1 95 95 VAL CA C 13 60.8 0.20 . 1 . . . . . . . . 5799 1 594 . 1 1 95 95 VAL HA H 1 5.20 0.02 . 1 . . . . . . . . 5799 1 595 . 1 1 95 95 VAL CB C 13 33.9 0.20 . 1 . . . . . . . . 5799 1 596 . 1 1 95 95 VAL C C 13 174.7 0.20 . 1 . . . . . . . . 5799 1 597 . 1 1 96 96 ALA N N 15 129.3 0.20 . 1 . . . . . . . . 5799 1 598 . 1 1 96 96 ALA H H 1 9.21 0.02 . 1 . . . . . . . . 5799 1 599 . 1 1 96 96 ALA CA C 13 49.3 0.20 . 1 . . . . . . . . 5799 1 600 . 1 1 96 96 ALA HA H 1 5.82 0.02 . 1 . . . . . . . . 5799 1 601 . 1 1 96 96 ALA CB C 13 26.7 0.20 . 1 . . . . . . . . 5799 1 602 . 1 1 96 96 ALA HB1 H 1 1.57 0.02 . 1 . . . . . . . . 5799 1 603 . 1 1 96 96 ALA HB2 H 1 1.57 0.02 . 1 . . . . . . . . 5799 1 604 . 1 1 96 96 ALA HB3 H 1 1.57 0.02 . 1 . . . . . . . . 5799 1 605 . 1 1 96 96 ALA C C 13 174.7 0.20 . 1 . . . . . . . . 5799 1 606 . 1 1 97 97 VAL N N 15 118.9 0.20 . 1 . . . . . . . . 5799 1 607 . 1 1 97 97 VAL H H 1 8.30 0.02 . 1 . . . . . . . . 5799 1 608 . 1 1 97 97 VAL CA C 13 57.9 0.20 . 1 . . . . . . . . 5799 1 609 . 1 1 97 97 VAL HA H 1 2.53 0.02 . 1 . . . . . . . . 5799 1 610 . 1 1 97 97 VAL CB C 13 35.6 0.20 . 1 . . . . . . . . 5799 1 611 . 1 1 97 97 VAL HB H 1 1.23 0.02 . 1 . . . . . . . . 5799 1 612 . 1 1 97 97 VAL C C 13 172.0 0.20 . 1 . . . . . . . . 5799 1 613 . 1 1 98 98 VAL N N 15 125.1 0.20 . 1 . . . . . . . . 5799 1 614 . 1 1 98 98 VAL H H 1 8.83 0.02 . 1 . . . . . . . . 5799 1 615 . 1 1 98 98 VAL CA C 13 58.8 0.20 . 1 . . . . . . . . 5799 1 616 . 1 1 98 98 VAL HA H 1 5.40 0.02 . 1 . . . . . . . . 5799 1 617 . 1 1 98 98 VAL CB C 13 35.0 0.20 . 1 . . . . . . . . 5799 1 618 . 1 1 98 98 VAL C C 13 172.5 0.20 . 1 . . . . . . . . 5799 1 619 . 1 1 99 99 SER N N 15 118.3 0.20 . 1 . . . . . . . . 5799 1 620 . 1 1 99 99 SER H H 1 8.49 0.02 . 1 . . . . . . . . 5799 1 621 . 1 1 99 99 SER CA C 13 55.7 0.20 . 1 . . . . . . . . 5799 1 622 . 1 1 99 99 SER C C 13 173.0 0.20 . 1 . . . . . . . . 5799 1 623 . 1 1 100 100 GLY N N 15 118.0 0.20 . 1 . . . . . . . . 5799 1 624 . 1 1 100 100 GLY H H 1 9.12 0.02 . 1 . . . . . . . . 5799 1 625 . 1 1 100 100 GLY CA C 13 45.3 0.20 . 1 . . . . . . . . 5799 1 626 . 1 1 100 100 GLY C C 13 174.1 0.20 . 1 . . . . . . . . 5799 1 627 . 1 1 101 101 GLY N N 15 108.0 0.20 . 1 . . . . . . . . 5799 1 628 . 1 1 101 101 GLY H H 1 8.55 0.02 . 1 . . . . . . . . 5799 1 629 . 1 1 101 101 GLY CA C 13 43.1 0.20 . 1 . . . . . . . . 5799 1 630 . 1 1 101 101 GLY C C 13 174.3 0.20 . 1 . . . . . . . . 5799 1 631 . 1 1 102 102 PHE N N 15 117.1 0.20 . 1 . . . . . . . . 5799 1 632 . 1 1 102 102 PHE H H 1 7.14 0.02 . 1 . . . . . . . . 5799 1 633 . 1 1 102 102 PHE CA C 13 55.6 0.20 . 1 . . . . . . . . 5799 1 634 . 1 1 102 102 PHE HA H 1 5.45 0.02 . 1 . . . . . . . . 5799 1 635 . 1 1 102 102 PHE CB C 13 43.1 0.20 . 1 . . . . . . . . 5799 1 636 . 1 1 102 102 PHE HB2 H 1 2.52 0.02 . 2 . . . . . . . . 5799 1 637 . 1 1 102 102 PHE HB3 H 1 3.84 0.02 . 2 . . . . . . . . 5799 1 638 . 1 1 102 102 PHE C C 13 176.9 0.20 . 1 . . . . . . . . 5799 1 639 . 1 1 103 103 ASP N N 15 128.4 0.20 . 1 . . . . . . . . 5799 1 640 . 1 1 103 103 ASP H H 1 9.58 0.02 . 1 . . . . . . . . 5799 1 641 . 1 1 103 103 ASP CA C 13 57.1 0.20 . 1 . . . . . . . . 5799 1 642 . 1 1 103 103 ASP HA H 1 3.88 0.02 . 1 . . . . . . . . 5799 1 643 . 1 1 103 103 ASP CB C 13 39.2 0.20 . 1 . . . . . . . . 5799 1 644 . 1 1 103 103 ASP C C 13 177.2 0.20 . 1 . . . . . . . . 5799 1 645 . 1 1 104 104 ILE N N 15 118.1 0.20 . 1 . . . . . . . . 5799 1 646 . 1 1 104 104 ILE H H 1 8.14 0.02 . 1 . . . . . . . . 5799 1 647 . 1 1 104 104 ILE CA C 13 63.8 0.20 . 1 . . . . . . . . 5799 1 648 . 1 1 104 104 ILE HA H 1 4.11 0.02 . 1 . . . . . . . . 5799 1 649 . 1 1 104 104 ILE CB C 13 38.3 0.20 . 1 . . . . . . . . 5799 1 650 . 1 1 104 104 ILE HB H 1 1.97 0.02 . 1 . . . . . . . . 5799 1 651 . 1 1 104 104 ILE C C 13 176.2 0.20 . 1 . . . . . . . . 5799 1 652 . 1 1 105 105 ALA N N 15 121.0 0.20 . 1 . . . . . . . . 5799 1 653 . 1 1 105 105 ALA H H 1 7.26 0.02 . 1 . . . . . . . . 5799 1 654 . 1 1 105 105 ALA CA C 13 53.3 0.20 . 1 . . . . . . . . 5799 1 655 . 1 1 105 105 ALA HA H 1 4.57 0.02 . 1 . . . . . . . . 5799 1 656 . 1 1 105 105 ALA CB C 13 20.9 0.20 . 1 . . . . . . . . 5799 1 657 . 1 1 105 105 ALA HB1 H 1 1.64 0.02 . 1 . . . . . . . . 5799 1 658 . 1 1 105 105 ALA HB2 H 1 1.64 0.02 . 1 . . . . . . . . 5799 1 659 . 1 1 105 105 ALA HB3 H 1 1.64 0.02 . 1 . . . . . . . . 5799 1 660 . 1 1 105 105 ALA C C 13 178.4 0.20 . 1 . . . . . . . . 5799 1 661 . 1 1 106 106 VAL N N 15 117.0 0.20 . 1 . . . . . . . . 5799 1 662 . 1 1 106 106 VAL H H 1 7.55 0.02 . 1 . . . . . . . . 5799 1 663 . 1 1 106 106 VAL CA C 13 64.7 0.20 . 1 . . . . . . . . 5799 1 664 . 1 1 106 106 VAL HA H 1 2.96 0.02 . 1 . . . . . . . . 5799 1 665 . 1 1 106 106 VAL CB C 13 31.8 0.20 . 1 . . . . . . . . 5799 1 666 . 1 1 106 106 VAL C C 13 178.4 0.20 . 1 . . . . . . . . 5799 1 667 . 1 1 107 107 ASN N N 15 118.2 0.20 . 1 . . . . . . . . 5799 1 668 . 1 1 107 107 ASN H H 1 9.03 0.02 . 1 . . . . . . . . 5799 1 669 . 1 1 107 107 ASN CA C 13 55.5 0.20 . 1 . . . . . . . . 5799 1 670 . 1 1 107 107 ASN HA H 1 4.38 0.02 . 1 . . . . . . . . 5799 1 671 . 1 1 107 107 ASN CB C 13 37.5 0.20 . 1 . . . . . . . . 5799 1 672 . 1 1 107 107 ASN HB3 H 1 2.84 0.02 . 2 . . . . . . . . 5799 1 673 . 1 1 107 107 ASN C C 13 178.2 0.20 . 1 . . . . . . . . 5799 1 674 . 1 1 108 108 LYS N N 15 118.2 0.20 . 1 . . . . . . . . 5799 1 675 . 1 1 108 108 LYS H H 1 6.94 0.02 . 1 . . . . . . . . 5799 1 676 . 1 1 108 108 LYS CA C 13 58.4 0.20 . 1 . . . . . . . . 5799 1 677 . 1 1 108 108 LYS HA H 1 4.24 0.02 . 1 . . . . . . . . 5799 1 678 . 1 1 108 108 LYS CB C 13 32.5 0.20 . 1 . . . . . . . . 5799 1 679 . 1 1 108 108 LYS HB3 H 1 2.03 0.02 . 2 . . . . . . . . 5799 1 680 . 1 1 108 108 LYS C C 13 179.5 0.20 . 1 . . . . . . . . 5799 1 681 . 1 1 109 109 ILE N N 15 119.5 0.20 . 1 . . . . . . . . 5799 1 682 . 1 1 109 109 ILE H H 1 7.11 0.02 . 1 . . . . . . . . 5799 1 683 . 1 1 109 109 ILE CA C 13 60.9 0.20 . 1 . . . . . . . . 5799 1 684 . 1 1 109 109 ILE HA H 1 4.06 0.02 . 1 . . . . . . . . 5799 1 685 . 1 1 109 109 ILE CB C 13 36.7 0.20 . 1 . . . . . . . . 5799 1 686 . 1 1 109 109 ILE C C 13 177.4 0.20 . 1 . . . . . . . . 5799 1 687 . 1 1 110 110 LYS N N 15 122.7 0.20 . 1 . . . . . . . . 5799 1 688 . 1 1 110 110 LYS H H 1 8.70 0.02 . 1 . . . . . . . . 5799 1 689 . 1 1 110 110 LYS CA C 13 59.9 0.20 . 1 . . . . . . . . 5799 1 690 . 1 1 110 110 LYS HA H 1 3.79 0.02 . 1 . . . . . . . . 5799 1 691 . 1 1 110 110 LYS CB C 13 32.3 0.20 . 1 . . . . . . . . 5799 1 692 . 1 1 110 110 LYS C C 13 178.4 0.20 . 1 . . . . . . . . 5799 1 693 . 1 1 111 111 GLU N N 15 116.9 0.20 . 1 . . . . . . . . 5799 1 694 . 1 1 111 111 GLU H H 1 7.66 0.02 . 1 . . . . . . . . 5799 1 695 . 1 1 111 111 GLU CA C 13 58.4 0.20 . 1 . . . . . . . . 5799 1 696 . 1 1 111 111 GLU HA H 1 4.20 0.02 . 1 . . . . . . . . 5799 1 697 . 1 1 111 111 GLU CB C 13 30.0 0.20 . 1 . . . . . . . . 5799 1 698 . 1 1 111 111 GLU HB3 H 1 2.16 0.02 . 2 . . . . . . . . 5799 1 699 . 1 1 111 111 GLU C C 13 178.8 0.20 . 1 . . . . . . . . 5799 1 700 . 1 1 112 112 LYS N N 15 119.3 0.20 . 1 . . . . . . . . 5799 1 701 . 1 1 112 112 LYS H H 1 7.71 0.02 . 1 . . . . . . . . 5799 1 702 . 1 1 112 112 LYS CA C 13 58.5 0.20 . 1 . . . . . . . . 5799 1 703 . 1 1 112 112 LYS HA H 1 4.18 0.02 . 1 . . . . . . . . 5799 1 704 . 1 1 112 112 LYS CB C 13 33.5 0.20 . 1 . . . . . . . . 5799 1 705 . 1 1 112 112 LYS HB3 H 1 2.10 0.02 . 2 . . . . . . . . 5799 1 706 . 1 1 112 112 LYS C C 13 178.3 0.20 . 1 . . . . . . . . 5799 1 707 . 1 1 113 113 LEU N N 15 113.2 0.20 . 1 . . . . . . . . 5799 1 708 . 1 1 113 113 LEU H H 1 8.13 0.02 . 1 . . . . . . . . 5799 1 709 . 1 1 113 113 LEU CA C 13 54.1 0.20 . 1 . . . . . . . . 5799 1 710 . 1 1 113 113 LEU HA H 1 4.47 0.02 . 1 . . . . . . . . 5799 1 711 . 1 1 113 113 LEU CB C 13 42.6 0.20 . 1 . . . . . . . . 5799 1 712 . 1 1 113 113 LEU HB3 H 1 1.64 0.02 . 2 . . . . . . . . 5799 1 713 . 1 1 113 113 LEU C C 13 176.8 0.20 . 1 . . . . . . . . 5799 1 714 . 1 1 114 114 GLY N N 15 108.5 0.20 . 1 . . . . . . . . 5799 1 715 . 1 1 114 114 GLY H H 1 7.61 0.02 . 1 . . . . . . . . 5799 1 716 . 1 1 114 114 GLY CA C 13 46.8 0.20 . 1 . . . . . . . . 5799 1 717 . 1 1 114 114 GLY HA2 H 1 3.96 0.02 . 2 . . . . . . . . 5799 1 718 . 1 1 114 114 GLY C C 13 175.6 0.20 . 1 . . . . . . . . 5799 1 719 . 1 1 115 115 LEU N N 15 116.3 0.20 . 1 . . . . . . . . 5799 1 720 . 1 1 115 115 LEU H H 1 7.65 0.02 . 1 . . . . . . . . 5799 1 721 . 1 1 115 115 LEU CA C 13 54.7 0.20 . 1 . . . . . . . . 5799 1 722 . 1 1 115 115 LEU HA H 1 4.16 0.02 . 1 . . . . . . . . 5799 1 723 . 1 1 115 115 LEU CB C 13 42.0 0.20 . 1 . . . . . . . . 5799 1 724 . 1 1 115 115 LEU C C 13 176.2 0.20 . 1 . . . . . . . . 5799 1 725 . 1 1 116 116 ASP N N 15 119.4 0.20 . 1 . . . . . . . . 5799 1 726 . 1 1 116 116 ASP H H 1 8.45 0.02 . 1 . . . . . . . . 5799 1 727 . 1 1 116 116 ASP CA C 13 57.6 0.20 . 1 . . . . . . . . 5799 1 728 . 1 1 116 116 ASP HA H 1 4.44 0.02 . 1 . . . . . . . . 5799 1 729 . 1 1 116 116 ASP CB C 13 43.9 0.20 . 1 . . . . . . . . 5799 1 730 . 1 1 116 116 ASP HB2 H 1 2.58 0.02 . 2 . . . . . . . . 5799 1 731 . 1 1 116 116 ASP HB3 H 1 2.84 0.02 . 2 . . . . . . . . 5799 1 732 . 1 1 116 116 ASP C C 13 176.2 0.20 . 1 . . . . . . . . 5799 1 733 . 1 1 117 117 TYR N N 15 111.3 0.20 . 1 . . . . . . . . 5799 1 734 . 1 1 117 117 TYR H H 1 7.33 0.02 . 1 . . . . . . . . 5799 1 735 . 1 1 117 117 TYR CA C 13 56.9 0.20 . 1 . . . . . . . . 5799 1 736 . 1 1 117 117 TYR HA H 1 4.72 0.02 . 1 . . . . . . . . 5799 1 737 . 1 1 117 117 TYR CB C 13 45.4 0.20 . 1 . . . . . . . . 5799 1 738 . 1 1 117 117 TYR C C 13 174.9 0.20 . 1 . . . . . . . . 5799 1 739 . 1 1 118 118 ALA N N 15 122.6 0.20 . 1 . . . . . . . . 5799 1 740 . 1 1 118 118 ALA H H 1 8.60 0.02 . 1 . . . . . . . . 5799 1 741 . 1 1 118 118 ALA CA C 13 51.3 0.20 . 1 . . . . . . . . 5799 1 742 . 1 1 118 118 ALA HA H 1 5.36 0.02 . 1 . . . . . . . . 5799 1 743 . 1 1 118 118 ALA CB C 13 22.8 0.20 . 1 . . . . . . . . 5799 1 744 . 1 1 118 118 ALA HB1 H 1 1.11 0.02 . 1 . . . . . . . . 5799 1 745 . 1 1 118 118 ALA HB2 H 1 1.11 0.02 . 1 . . . . . . . . 5799 1 746 . 1 1 118 118 ALA HB3 H 1 1.11 0.02 . 1 . . . . . . . . 5799 1 747 . 1 1 118 118 ALA C C 13 174.9 0.20 . 1 . . . . . . . . 5799 1 748 . 1 1 119 119 PHE N N 15 121.4 0.20 . 1 . . . . . . . . 5799 1 749 . 1 1 119 119 PHE H H 1 8.18 0.02 . 1 . . . . . . . . 5799 1 750 . 1 1 119 119 PHE CA C 13 56.9 0.20 . 1 . . . . . . . . 5799 1 751 . 1 1 119 119 PHE HA H 1 4.93 0.02 . 1 . . . . . . . . 5799 1 752 . 1 1 119 119 PHE CB C 13 43.8 0.20 . 1 . . . . . . . . 5799 1 753 . 1 1 119 119 PHE HB3 H 1 3.02 0.02 . 2 . . . . . . . . 5799 1 754 . 1 1 119 119 PHE C C 13 173.7 0.20 . 1 . . . . . . . . 5799 1 755 . 1 1 120 120 ALA N N 15 123.3 0.20 . 1 . . . . . . . . 5799 1 756 . 1 1 120 120 ALA H H 1 8.43 0.02 . 1 . . . . . . . . 5799 1 757 . 1 1 120 120 ALA CA C 13 50.6 0.20 . 1 . . . . . . . . 5799 1 758 . 1 1 120 120 ALA HA H 1 5.76 0.02 . 1 . . . . . . . . 5799 1 759 . 1 1 120 120 ALA CB C 13 21.7 0.20 . 1 . . . . . . . . 5799 1 760 . 1 1 120 120 ALA HB1 H 1 1.22 0.02 . 1 . . . . . . . . 5799 1 761 . 1 1 120 120 ALA HB2 H 1 1.22 0.02 . 1 . . . . . . . . 5799 1 762 . 1 1 120 120 ALA HB3 H 1 1.22 0.02 . 1 . . . . . . . . 5799 1 763 . 1 1 120 120 ALA C C 13 176.9 0.20 . 1 . . . . . . . . 5799 1 764 . 1 1 121 121 ASN N N 15 117.0 0.20 . 1 . . . . . . . . 5799 1 765 . 1 1 121 121 ASN H H 1 7.95 0.02 . 1 . . . . . . . . 5799 1 766 . 1 1 121 121 ASN CA C 13 53.4 0.20 . 1 . . . . . . . . 5799 1 767 . 1 1 121 121 ASN HA H 1 5.30 0.02 . 1 . . . . . . . . 5799 1 768 . 1 1 121 121 ASN CB C 13 39.8 0.20 . 1 . . . . . . . . 5799 1 769 . 1 1 121 121 ASN HB3 H 1 2.88 0.02 . 2 . . . . . . . . 5799 1 770 . 1 1 121 121 ASN C C 13 173.7 0.20 . 1 . . . . . . . . 5799 1 771 . 1 1 122 122 ARG N N 15 117.1 0.20 . 1 . . . . . . . . 5799 1 772 . 1 1 122 122 ARG H H 1 9.30 0.02 . 1 . . . . . . . . 5799 1 773 . 1 1 122 122 ARG CA C 13 55.3 0.20 . 1 . . . . . . . . 5799 1 774 . 1 1 122 122 ARG HA H 1 5.06 0.02 . 1 . . . . . . . . 5799 1 775 . 1 1 122 122 ARG CB C 13 33.6 0.20 . 1 . . . . . . . . 5799 1 776 . 1 1 122 122 ARG C C 13 175.4 0.20 . 1 . . . . . . . . 5799 1 777 . 1 1 123 123 LEU N N 15 124.5 0.20 . 1 . . . . . . . . 5799 1 778 . 1 1 123 123 LEU H H 1 8.84 0.02 . 1 . . . . . . . . 5799 1 779 . 1 1 123 123 LEU CA C 13 53.8 0.20 . 1 . . . . . . . . 5799 1 780 . 1 1 123 123 LEU HA H 1 4.26 0.02 . 1 . . . . . . . . 5799 1 781 . 1 1 123 123 LEU CB C 13 42.9 0.20 . 1 . . . . . . . . 5799 1 782 . 1 1 123 123 LEU HB3 H 1 1.34 0.02 . 2 . . . . . . . . 5799 1 783 . 1 1 123 123 LEU C C 13 176.8 0.20 . 1 . . . . . . . . 5799 1 784 . 1 1 124 124 ILE N N 15 123.0 0.20 . 1 . . . . . . . . 5799 1 785 . 1 1 124 124 ILE H H 1 7.08 0.02 . 1 . . . . . . . . 5799 1 786 . 1 1 124 124 ILE CA C 13 60.5 0.20 . 1 . . . . . . . . 5799 1 787 . 1 1 124 124 ILE HA H 1 4.21 0.02 . 1 . . . . . . . . 5799 1 788 . 1 1 124 124 ILE CB C 13 35.1 0.20 . 1 . . . . . . . . 5799 1 789 . 1 1 124 124 ILE C C 13 176.0 0.20 . 1 . . . . . . . . 5799 1 790 . 1 1 125 125 VAL N N 15 130.2 0.20 . 1 . . . . . . . . 5799 1 791 . 1 1 125 125 VAL H H 1 8.51 0.02 . 1 . . . . . . . . 5799 1 792 . 1 1 125 125 VAL CA C 13 60.6 0.20 . 1 . . . . . . . . 5799 1 793 . 1 1 125 125 VAL HA H 1 4.69 0.02 . 1 . . . . . . . . 5799 1 794 . 1 1 125 125 VAL CB C 13 35.2 0.20 . 1 . . . . . . . . 5799 1 795 . 1 1 125 125 VAL HB H 1 1.93 0.02 . 1 . . . . . . . . 5799 1 796 . 1 1 125 125 VAL C C 13 175.2 0.20 . 1 . . . . . . . . 5799 1 797 . 1 1 126 126 LYS N N 15 127.1 0.20 . 1 . . . . . . . . 5799 1 798 . 1 1 126 126 LYS H H 1 8.98 0.02 . 1 . . . . . . . . 5799 1 799 . 1 1 126 126 LYS CA C 13 55.7 0.20 . 1 . . . . . . . . 5799 1 800 . 1 1 126 126 LYS HA H 1 4.60 0.02 . 1 . . . . . . . . 5799 1 801 . 1 1 126 126 LYS CB C 13 36.3 0.20 . 1 . . . . . . . . 5799 1 802 . 1 1 126 126 LYS HB3 H 1 1.70 0.02 . 2 . . . . . . . . 5799 1 803 . 1 1 126 126 LYS C C 13 176.1 0.20 . 1 . . . . . . . . 5799 1 804 . 1 1 127 127 ASP N N 15 127.6 0.20 . 1 . . . . . . . . 5799 1 805 . 1 1 127 127 ASP H H 1 9.46 0.02 . 1 . . . . . . . . 5799 1 806 . 1 1 127 127 ASP CA C 13 55.6 0.20 . 1 . . . . . . . . 5799 1 807 . 1 1 127 127 ASP HA H 1 4.37 0.02 . 1 . . . . . . . . 5799 1 808 . 1 1 127 127 ASP CB C 13 39.9 0.20 . 1 . . . . . . . . 5799 1 809 . 1 1 127 127 ASP HB2 H 1 2.73 0.02 . 2 . . . . . . . . 5799 1 810 . 1 1 127 127 ASP HB3 H 1 3.02 0.02 . 2 . . . . . . . . 5799 1 811 . 1 1 127 127 ASP C C 13 176.1 0.20 . 1 . . . . . . . . 5799 1 812 . 1 1 128 128 GLY N N 15 101.7 0.20 . 1 . . . . . . . . 5799 1 813 . 1 1 128 128 GLY H H 1 8.51 0.02 . 1 . . . . . . . . 5799 1 814 . 1 1 128 128 GLY CA C 13 45.5 0.20 . 1 . . . . . . . . 5799 1 815 . 1 1 128 128 GLY C C 13 174.5 0.20 . 1 . . . . . . . . 5799 1 816 . 1 1 129 129 LYS N N 15 120.4 0.20 . 1 . . . . . . . . 5799 1 817 . 1 1 129 129 LYS H H 1 7.89 0.02 . 1 . . . . . . . . 5799 1 818 . 1 1 129 129 LYS CA C 13 54.0 0.20 . 1 . . . . . . . . 5799 1 819 . 1 1 129 129 LYS HA H 1 5.17 0.02 . 1 . . . . . . . . 5799 1 820 . 1 1 129 129 LYS CB C 13 37.0 0.20 . 1 . . . . . . . . 5799 1 821 . 1 1 129 129 LYS HB2 H 1 0.64 0.02 . 2 . . . . . . . . 5799 1 822 . 1 1 129 129 LYS HB3 H 1 1.47 0.02 . 2 . . . . . . . . 5799 1 823 . 1 1 129 129 LYS C C 13 175.3 0.20 . 1 . . . . . . . . 5799 1 824 . 1 1 130 130 LEU N N 15 120.9 0.20 . 1 . . . . . . . . 5799 1 825 . 1 1 130 130 LEU H H 1 8.71 0.02 . 1 . . . . . . . . 5799 1 826 . 1 1 130 130 LEU CA C 13 55.5 0.20 . 1 . . . . . . . . 5799 1 827 . 1 1 130 130 LEU HA H 1 4.60 0.02 . 1 . . . . . . . . 5799 1 828 . 1 1 130 130 LEU CB C 13 40.4 0.20 . 1 . . . . . . . . 5799 1 829 . 1 1 130 130 LEU HB3 H 1 2.04 0.02 . 2 . . . . . . . . 5799 1 830 . 1 1 130 130 LEU C C 13 180.1 0.20 . 1 . . . . . . . . 5799 1 831 . 1 1 131 131 THR N N 15 113.6 0.20 . 1 . . . . . . . . 5799 1 832 . 1 1 131 131 THR H H 1 8.25 0.02 . 1 . . . . . . . . 5799 1 833 . 1 1 131 131 THR CA C 13 62.5 0.20 . 1 . . . . . . . . 5799 1 834 . 1 1 131 131 THR HA H 1 4.54 0.02 . 1 . . . . . . . . 5799 1 835 . 1 1 131 131 THR CB C 13 69.6 0.20 . 1 . . . . . . . . 5799 1 836 . 1 1 131 131 THR HB H 1 5.11 0.02 . 1 . . . . . . . . 5799 1 837 . 1 1 131 131 THR C C 13 176.8 0.20 . 1 . . . . . . . . 5799 1 838 . 1 1 132 132 GLY N N 15 109.0 0.20 . 1 . . . . . . . . 5799 1 839 . 1 1 132 132 GLY H H 1 8.91 0.02 . 1 . . . . . . . . 5799 1 840 . 1 1 132 132 GLY CA C 13 44.6 0.20 . 1 . . . . . . . . 5799 1 841 . 1 1 132 132 GLY HA3 H 1 3.54 0.02 . 2 . . . . . . . . 5799 1 842 . 1 1 132 132 GLY HA2 H 1 4.41 0.02 . 2 . . . . . . . . 5799 1 843 . 1 1 132 132 GLY C C 13 172.0 0.20 . 1 . . . . . . . . 5799 1 844 . 1 1 133 133 ASP N N 15 119.6 0.20 . 1 . . . . . . . . 5799 1 845 . 1 1 133 133 ASP H H 1 7.57 0.02 . 1 . . . . . . . . 5799 1 846 . 1 1 133 133 ASP CA C 13 53.0 0.20 . 1 . . . . . . . . 5799 1 847 . 1 1 133 133 ASP HA H 1 5.12 0.02 . 1 . . . . . . . . 5799 1 848 . 1 1 133 133 ASP CB C 13 44.3 0.20 . 1 . . . . . . . . 5799 1 849 . 1 1 133 133 ASP C C 13 175.1 0.20 . 1 . . . . . . . . 5799 1 850 . 1 1 134 134 VAL N N 15 120.0 0.20 . 1 . . . . . . . . 5799 1 851 . 1 1 134 134 VAL H H 1 8.57 0.02 . 1 . . . . . . . . 5799 1 852 . 1 1 134 134 VAL CA C 13 58.8 0.20 . 1 . . . . . . . . 5799 1 853 . 1 1 134 134 VAL HA H 1 5.17 0.02 . 1 . . . . . . . . 5799 1 854 . 1 1 134 134 VAL CB C 13 35.9 0.20 . 1 . . . . . . . . 5799 1 855 . 1 1 134 134 VAL C C 13 171.9 0.20 . 1 . . . . . . . . 5799 1 856 . 1 1 135 135 GLU N N 15 123.1 0.20 . 1 . . . . . . . . 5799 1 857 . 1 1 135 135 GLU H H 1 8.54 0.02 . 1 . . . . . . . . 5799 1 858 . 1 1 135 135 GLU CA C 13 54.1 0.20 . 1 . . . . . . . . 5799 1 859 . 1 1 135 135 GLU HA H 1 4.95 0.02 . 1 . . . . . . . . 5799 1 860 . 1 1 135 135 GLU CB C 13 34.4 0.20 . 1 . . . . . . . . 5799 1 861 . 1 1 135 135 GLU HB2 H 1 1.98 0.02 . 2 . . . . . . . . 5799 1 862 . 1 1 135 135 GLU HB3 H 1 2.20 0.02 . 2 . . . . . . . . 5799 1 863 . 1 1 135 135 GLU C C 13 174.1 0.20 . 1 . . . . . . . . 5799 1 864 . 1 1 136 136 GLY N N 15 107.3 0.20 . 1 . . . . . . . . 5799 1 865 . 1 1 136 136 GLY H H 1 8.40 0.02 . 1 . . . . . . . . 5799 1 866 . 1 1 136 136 GLY CA C 13 45.1 0.20 . 1 . . . . . . . . 5799 1 867 . 1 1 136 136 GLY HA3 H 1 4.08 0.02 . 2 . . . . . . . . 5799 1 868 . 1 1 136 136 GLY HA2 H 1 5.48 0.02 . 2 . . . . . . . . 5799 1 869 . 1 1 136 136 GLY C C 13 173.5 0.20 . 1 . . . . . . . . 5799 1 870 . 1 1 137 137 GLU N N 15 115.5 0.20 . 1 . . . . . . . . 5799 1 871 . 1 1 137 137 GLU H H 1 8.64 0.02 . 1 . . . . . . . . 5799 1 872 . 1 1 137 137 GLU CA C 13 55.9 0.20 . 1 . . . . . . . . 5799 1 873 . 1 1 137 137 GLU HA H 1 4.62 0.02 . 1 . . . . . . . . 5799 1 874 . 1 1 137 137 GLU CB C 13 31.2 0.20 . 1 . . . . . . . . 5799 1 875 . 1 1 137 137 GLU C C 13 176.4 0.20 . 1 . . . . . . . . 5799 1 876 . 1 1 138 138 VAL N N 15 122.9 0.20 . 1 . . . . . . . . 5799 1 877 . 1 1 138 138 VAL H H 1 8.91 0.02 . 1 . . . . . . . . 5799 1 878 . 1 1 138 138 VAL CA C 13 59.3 0.20 . 1 . . . . . . . . 5799 1 879 . 1 1 138 138 VAL HA H 1 4.33 0.02 . 1 . . . . . . . . 5799 1 880 . 1 1 138 138 VAL CB C 13 30.8 0.20 . 1 . . . . . . . . 5799 1 881 . 1 1 138 138 VAL C C 13 176.2 0.20 . 1 . . . . . . . . 5799 1 882 . 1 1 139 139 LEU N N 15 121.2 0.20 . 1 . . . . . . . . 5799 1 883 . 1 1 139 139 LEU H H 1 7.79 0.02 . 1 . . . . . . . . 5799 1 884 . 1 1 139 139 LEU CA C 13 55.9 0.20 . 1 . . . . . . . . 5799 1 885 . 1 1 139 139 LEU C C 13 176.6 0.20 . 1 . . . . . . . . 5799 1 886 . 1 1 140 140 LYS N N 15 115.7 0.20 . 1 . . . . . . . . 5799 1 887 . 1 1 140 140 LYS H H 1 7.99 0.02 . 1 . . . . . . . . 5799 1 888 . 1 1 140 140 LYS CA C 13 55.8 0.20 . 1 . . . . . . . . 5799 1 889 . 1 1 140 140 LYS HA H 1 4.56 0.02 . 1 . . . . . . . . 5799 1 890 . 1 1 140 140 LYS CB C 13 33.8 0.20 . 1 . . . . . . . . 5799 1 891 . 1 1 140 140 LYS C C 13 178.8 0.20 . 1 . . . . . . . . 5799 1 892 . 1 1 141 141 GLU N N 15 122.1 0.20 . 1 . . . . . . . . 5799 1 893 . 1 1 141 141 GLU H H 1 9.01 0.02 . 1 . . . . . . . . 5799 1 894 . 1 1 141 141 GLU CA C 13 59.4 0.20 . 1 . . . . . . . . 5799 1 895 . 1 1 141 141 GLU HA H 1 4.17 0.02 . 1 . . . . . . . . 5799 1 896 . 1 1 141 141 GLU CB C 13 30.2 0.20 . 1 . . . . . . . . 5799 1 897 . 1 1 141 141 GLU C C 13 177.7 0.20 . 1 . . . . . . . . 5799 1 898 . 1 1 142 142 ASN N N 15 114.6 0.20 . 1 . . . . . . . . 5799 1 899 . 1 1 142 142 ASN H H 1 8.30 0.02 . 1 . . . . . . . . 5799 1 900 . 1 1 142 142 ASN CA C 13 52.2 0.20 . 1 . . . . . . . . 5799 1 901 . 1 1 142 142 ASN HA H 1 4.98 0.02 . 1 . . . . . . . . 5799 1 902 . 1 1 142 142 ASN CB C 13 38.5 0.20 . 1 . . . . . . . . 5799 1 903 . 1 1 142 142 ASN HB3 H 1 3.02 0.02 . 2 . . . . . . . . 5799 1 904 . 1 1 142 142 ASN C C 13 177.4 0.20 . 1 . . . . . . . . 5799 1 905 . 1 1 143 143 ALA N N 15 121.4 0.20 . 1 . . . . . . . . 5799 1 906 . 1 1 143 143 ALA H H 1 7.66 0.02 . 1 . . . . . . . . 5799 1 907 . 1 1 143 143 ALA CA C 13 56.0 0.20 . 1 . . . . . . . . 5799 1 908 . 1 1 143 143 ALA HA H 1 4.04 0.02 . 1 . . . . . . . . 5799 1 909 . 1 1 143 143 ALA CB C 13 21.2 0.20 . 1 . . . . . . . . 5799 1 910 . 1 1 143 143 ALA HB1 H 1 1.67 0.02 . 1 . . . . . . . . 5799 1 911 . 1 1 143 143 ALA HB2 H 1 1.67 0.02 . 1 . . . . . . . . 5799 1 912 . 1 1 143 143 ALA HB3 H 1 1.67 0.02 . 1 . . . . . . . . 5799 1 913 . 1 1 143 143 ALA C C 13 180.1 0.20 . 1 . . . . . . . . 5799 1 914 . 1 1 144 144 LYS N N 15 114.3 0.20 . 1 . . . . . . . . 5799 1 915 . 1 1 144 144 LYS H H 1 8.30 0.02 . 1 . . . . . . . . 5799 1 916 . 1 1 144 144 LYS CA C 13 61.9 0.20 . 1 . . . . . . . . 5799 1 917 . 1 1 144 144 LYS HA H 1 3.77 0.02 . 1 . . . . . . . . 5799 1 918 . 1 1 144 144 LYS CB C 13 32.0 0.20 . 1 . . . . . . . . 5799 1 919 . 1 1 144 144 LYS C C 13 178.6 0.20 . 1 . . . . . . . . 5799 1 920 . 1 1 145 145 GLY N N 15 105.6 0.20 . 1 . . . . . . . . 5799 1 921 . 1 1 145 145 GLY H H 1 7.77 0.02 . 1 . . . . . . . . 5799 1 922 . 1 1 145 145 GLY CA C 13 47.5 0.20 . 1 . . . . . . . . 5799 1 923 . 1 1 145 145 GLY HA2 H 1 3.61 0.02 . 2 . . . . . . . . 5799 1 924 . 1 1 145 145 GLY C C 13 175.1 0.20 . 1 . . . . . . . . 5799 1 925 . 1 1 146 146 GLU N N 15 121.6 0.20 . 1 . . . . . . . . 5799 1 926 . 1 1 146 146 GLU H H 1 7.52 0.02 . 1 . . . . . . . . 5799 1 927 . 1 1 146 146 GLU CA C 13 58.8 0.20 . 1 . . . . . . . . 5799 1 928 . 1 1 146 146 GLU HA H 1 4.12 0.02 . 1 . . . . . . . . 5799 1 929 . 1 1 146 146 GLU CB C 13 29.1 0.20 . 1 . . . . . . . . 5799 1 930 . 1 1 146 146 GLU C C 13 180.1 0.20 . 1 . . . . . . . . 5799 1 931 . 1 1 147 147 ILE N N 15 121.6 0.20 . 1 . . . . . . . . 5799 1 932 . 1 1 147 147 ILE H H 1 7.95 0.02 . 1 . . . . . . . . 5799 1 933 . 1 1 147 147 ILE CA C 13 63.3 0.20 . 1 . . . . . . . . 5799 1 934 . 1 1 147 147 ILE HA H 1 3.39 0.02 . 1 . . . . . . . . 5799 1 935 . 1 1 147 147 ILE CB C 13 38.5 0.20 . 1 . . . . . . . . 5799 1 936 . 1 1 147 147 ILE C C 13 177.0 0.20 . 1 . . . . . . . . 5799 1 937 . 1 1 148 148 LEU N N 15 121.2 0.20 . 1 . . . . . . . . 5799 1 938 . 1 1 148 148 LEU H H 1 7.65 0.02 . 1 . . . . . . . . 5799 1 939 . 1 1 148 148 LEU CA C 13 59.9 0.20 . 1 . . . . . . . . 5799 1 940 . 1 1 148 148 LEU HA H 1 3.67 0.02 . 1 . . . . . . . . 5799 1 941 . 1 1 148 148 LEU CB C 13 41.9 0.20 . 1 . . . . . . . . 5799 1 942 . 1 1 148 148 LEU HB2 H 1 2.04 0.02 . 2 . . . . . . . . 5799 1 943 . 1 1 148 148 LEU HB3 H 1 2.24 0.02 . 2 . . . . . . . . 5799 1 944 . 1 1 148 148 LEU C C 13 177.8 0.20 . 1 . . . . . . . . 5799 1 945 . 1 1 149 149 GLU N N 15 116.0 0.20 . 1 . . . . . . . . 5799 1 946 . 1 1 149 149 GLU H H 1 7.59 0.02 . 1 . . . . . . . . 5799 1 947 . 1 1 149 149 GLU CA C 13 59.6 0.20 . 1 . . . . . . . . 5799 1 948 . 1 1 149 149 GLU HA H 1 3.80 0.02 . 1 . . . . . . . . 5799 1 949 . 1 1 149 149 GLU CB C 13 30.5 0.20 . 1 . . . . . . . . 5799 1 950 . 1 1 149 149 GLU C C 13 178.2 0.20 . 1 . . . . . . . . 5799 1 951 . 1 1 150 150 LYS N N 15 120.7 0.20 . 1 . . . . . . . . 5799 1 952 . 1 1 150 150 LYS H H 1 8.00 0.02 . 1 . . . . . . . . 5799 1 953 . 1 1 150 150 LYS CA C 13 59.5 0.20 . 1 . . . . . . . . 5799 1 954 . 1 1 150 150 LYS HA H 1 4.01 0.02 . 1 . . . . . . . . 5799 1 955 . 1 1 150 150 LYS CB C 13 32.9 0.20 . 1 . . . . . . . . 5799 1 956 . 1 1 150 150 LYS HB3 H 1 1.91 0.02 . 2 . . . . . . . . 5799 1 957 . 1 1 150 150 LYS C C 13 179.2 0.20 . 1 . . . . . . . . 5799 1 958 . 1 1 151 151 ILE N N 15 118.0 0.20 . 1 . . . . . . . . 5799 1 959 . 1 1 151 151 ILE H H 1 8.24 0.02 . 1 . . . . . . . . 5799 1 960 . 1 1 151 151 ILE CA C 13 64.5 0.20 . 1 . . . . . . . . 5799 1 961 . 1 1 151 151 ILE HA H 1 3.40 0.02 . 1 . . . . . . . . 5799 1 962 . 1 1 151 151 ILE CB C 13 38.0 0.20 . 1 . . . . . . . . 5799 1 963 . 1 1 151 151 ILE C C 13 177.8 0.20 . 1 . . . . . . . . 5799 1 964 . 1 1 152 152 ALA N N 15 121.2 0.20 . 1 . . . . . . . . 5799 1 965 . 1 1 152 152 ALA H H 1 8.07 0.02 . 1 . . . . . . . . 5799 1 966 . 1 1 152 152 ALA CA C 13 56.1 0.20 . 1 . . . . . . . . 5799 1 967 . 1 1 152 152 ALA HA H 1 3.73 0.02 . 1 . . . . . . . . 5799 1 968 . 1 1 152 152 ALA CB C 13 17.0 0.20 . 1 . . . . . . . . 5799 1 969 . 1 1 152 152 ALA HB1 H 1 1.47 0.02 . 1 . . . . . . . . 5799 1 970 . 1 1 152 152 ALA HB2 H 1 1.47 0.02 . 1 . . . . . . . . 5799 1 971 . 1 1 152 152 ALA HB3 H 1 1.47 0.02 . 1 . . . . . . . . 5799 1 972 . 1 1 152 152 ALA C C 13 179.7 0.20 . 1 . . . . . . . . 5799 1 973 . 1 1 153 153 LYS N N 15 117.2 0.20 . 1 . . . . . . . . 5799 1 974 . 1 1 153 153 LYS H H 1 8.06 0.02 . 1 . . . . . . . . 5799 1 975 . 1 1 153 153 LYS CA C 13 59.0 0.20 . 1 . . . . . . . . 5799 1 976 . 1 1 153 153 LYS HA H 1 4.16 0.02 . 1 . . . . . . . . 5799 1 977 . 1 1 153 153 LYS CB C 13 32.4 0.20 . 1 . . . . . . . . 5799 1 978 . 1 1 153 153 LYS C C 13 180.6 0.20 . 1 . . . . . . . . 5799 1 979 . 1 1 154 154 ILE N N 15 121.2 0.20 . 1 . . . . . . . . 5799 1 980 . 1 1 154 154 ILE H H 1 7.99 0.02 . 1 . . . . . . . . 5799 1 981 . 1 1 154 154 ILE CA C 13 65.2 0.20 . 1 . . . . . . . . 5799 1 982 . 1 1 154 154 ILE HA H 1 3.81 0.02 . 1 . . . . . . . . 5799 1 983 . 1 1 154 154 ILE CB C 13 39.1 0.20 . 1 . . . . . . . . 5799 1 984 . 1 1 154 154 ILE C C 13 178.9 0.20 . 1 . . . . . . . . 5799 1 985 . 1 1 155 155 GLU N N 15 115.5 0.20 . 1 . . . . . . . . 5799 1 986 . 1 1 155 155 GLU H H 1 7.93 0.02 . 1 . . . . . . . . 5799 1 987 . 1 1 155 155 GLU CA C 13 56.1 0.20 . 1 . . . . . . . . 5799 1 988 . 1 1 155 155 GLU HA H 1 4.25 0.02 . 1 . . . . . . . . 5799 1 989 . 1 1 155 155 GLU CB C 13 31.4 0.20 . 1 . . . . . . . . 5799 1 990 . 1 1 155 155 GLU HB2 H 1 1.72 0.02 . 2 . . . . . . . . 5799 1 991 . 1 1 155 155 GLU HB3 H 1 2.42 0.02 . 2 . . . . . . . . 5799 1 992 . 1 1 155 155 GLU C C 13 176.8 0.20 . 1 . . . . . . . . 5799 1 993 . 1 1 156 156 GLY N N 15 111.0 0.20 . 1 . . . . . . . . 5799 1 994 . 1 1 156 156 GLY H H 1 7.89 0.02 . 1 . . . . . . . . 5799 1 995 . 1 1 156 156 GLY CA C 13 46.7 0.20 . 1 . . . . . . . . 5799 1 996 . 1 1 156 156 GLY HA2 H 1 4.00 0.02 . 2 . . . . . . . . 5799 1 997 . 1 1 156 156 GLY C C 13 174.7 0.20 . 1 . . . . . . . . 5799 1 998 . 1 1 157 157 ILE N N 15 122.6 0.20 . 1 . . . . . . . . 5799 1 999 . 1 1 157 157 ILE H H 1 8.58 0.02 . 1 . . . . . . . . 5799 1 1000 . 1 1 157 157 ILE CA C 13 60.0 0.20 . 1 . . . . . . . . 5799 1 1001 . 1 1 157 157 ILE HA H 1 4.07 0.02 . 1 . . . . . . . . 5799 1 1002 . 1 1 157 157 ILE CB C 13 42.0 0.20 . 1 . . . . . . . . 5799 1 1003 . 1 1 157 157 ILE HB H 1 1.40 0.02 . 1 . . . . . . . . 5799 1 1004 . 1 1 157 157 ILE C C 13 175.3 0.20 . 1 . . . . . . . . 5799 1 1005 . 1 1 158 158 ASN N N 15 126.5 0.20 . 1 . . . . . . . . 5799 1 1006 . 1 1 158 158 ASN H H 1 8.87 0.02 . 1 . . . . . . . . 5799 1 1007 . 1 1 158 158 ASN CA C 13 52.9 0.20 . 1 . . . . . . . . 5799 1 1008 . 1 1 158 158 ASN HA H 1 4.63 0.02 . 1 . . . . . . . . 5799 1 1009 . 1 1 158 158 ASN CB C 13 39.0 0.20 . 1 . . . . . . . . 5799 1 1010 . 1 1 158 158 ASN HB2 H 1 2.83 0.02 . 2 . . . . . . . . 5799 1 1011 . 1 1 158 158 ASN HB3 H 1 3.10 0.02 . 2 . . . . . . . . 5799 1 1012 . 1 1 158 158 ASN C C 13 177.8 0.20 . 1 . . . . . . . . 5799 1 1013 . 1 1 159 159 LEU N N 15 124.2 0.20 . 1 . . . . . . . . 5799 1 1014 . 1 1 159 159 LEU H H 1 8.81 0.02 . 1 . . . . . . . . 5799 1 1015 . 1 1 159 159 LEU CA C 13 58.0 0.20 . 1 . . . . . . . . 5799 1 1016 . 1 1 159 159 LEU HA H 1 4.00 0.02 . 1 . . . . . . . . 5799 1 1017 . 1 1 159 159 LEU CB C 13 40.3 0.20 . 1 . . . . . . . . 5799 1 1018 . 1 1 159 159 LEU HB3 H 1 1.79 0.02 . 2 . . . . . . . . 5799 1 1019 . 1 1 159 159 LEU C C 13 179.9 0.20 . 1 . . . . . . . . 5799 1 1020 . 1 1 160 160 GLU N N 15 118.2 0.20 . 1 . . . . . . . . 5799 1 1021 . 1 1 160 160 GLU H H 1 9.31 0.02 . 1 . . . . . . . . 5799 1 1022 . 1 1 160 160 GLU CA C 13 58.9 0.20 . 1 . . . . . . . . 5799 1 1023 . 1 1 160 160 GLU HA H 1 4.17 0.02 . 1 . . . . . . . . 5799 1 1024 . 1 1 160 160 GLU CB C 13 28.6 0.20 . 1 . . . . . . . . 5799 1 1025 . 1 1 160 160 GLU C C 13 177.3 0.20 . 1 . . . . . . . . 5799 1 1026 . 1 1 161 161 ASP N N 15 121.2 0.20 . 1 . . . . . . . . 5799 1 1027 . 1 1 161 161 ASP H H 1 8.03 0.02 . 1 . . . . . . . . 5799 1 1028 . 1 1 161 161 ASP CA C 13 54.4 0.20 . 1 . . . . . . . . 5799 1 1029 . 1 1 161 161 ASP HA H 1 5.03 0.02 . 1 . . . . . . . . 5799 1 1030 . 1 1 161 161 ASP CB C 13 41.5 0.20 . 1 . . . . . . . . 5799 1 1031 . 1 1 161 161 ASP HB2 H 1 2.92 0.02 . 2 . . . . . . . . 5799 1 1032 . 1 1 161 161 ASP HB3 H 1 3.21 0.02 . 2 . . . . . . . . 5799 1 1033 . 1 1 161 161 ASP C C 13 174.3 0.20 . 1 . . . . . . . . 5799 1 1034 . 1 1 162 162 THR N N 15 106.7 0.20 . 1 . . . . . . . . 5799 1 1035 . 1 1 162 162 THR H H 1 7.25 0.02 . 1 . . . . . . . . 5799 1 1036 . 1 1 162 162 THR CA C 13 59.7 0.20 . 1 . . . . . . . . 5799 1 1037 . 1 1 162 162 THR HA H 1 5.71 0.02 . 1 . . . . . . . . 5799 1 1038 . 1 1 162 162 THR CB C 13 73.3 0.20 . 1 . . . . . . . . 5799 1 1039 . 1 1 162 162 THR HB H 1 4.04 0.02 . 1 . . . . . . . . 5799 1 1040 . 1 1 162 162 THR C C 13 175.1 0.20 . 1 . . . . . . . . 5799 1 1041 . 1 1 163 163 VAL N N 15 124.2 0.20 . 1 . . . . . . . . 5799 1 1042 . 1 1 163 163 VAL H H 1 8.85 0.02 . 1 . . . . . . . . 5799 1 1043 . 1 1 163 163 VAL CA C 13 60.0 0.20 . 1 . . . . . . . . 5799 1 1044 . 1 1 163 163 VAL HA H 1 5.08 0.02 . 1 . . . . . . . . 5799 1 1045 . 1 1 163 163 VAL CB C 13 35.6 0.20 . 1 . . . . . . . . 5799 1 1046 . 1 1 163 163 VAL HB H 1 1.90 0.02 . 1 . . . . . . . . 5799 1 1047 . 1 1 163 163 VAL C C 13 173.5 0.20 . 1 . . . . . . . . 5799 1 1048 . 1 1 164 164 ALA N N 15 128.1 0.20 . 1 . . . . . . . . 5799 1 1049 . 1 1 164 164 ALA H H 1 8.51 0.02 . 1 . . . . . . . . 5799 1 1050 . 1 1 164 164 ALA CA C 13 49.7 0.20 . 1 . . . . . . . . 5799 1 1051 . 1 1 164 164 ALA HA H 1 5.54 0.02 . 1 . . . . . . . . 5799 1 1052 . 1 1 164 164 ALA CB C 13 23.6 0.20 . 1 . . . . . . . . 5799 1 1053 . 1 1 164 164 ALA HB1 H 1 1.35 0.02 . 1 . . . . . . . . 5799 1 1054 . 1 1 164 164 ALA HB2 H 1 1.35 0.02 . 1 . . . . . . . . 5799 1 1055 . 1 1 164 164 ALA HB3 H 1 1.35 0.02 . 1 . . . . . . . . 5799 1 1056 . 1 1 164 164 ALA C C 13 175.5 0.20 . 1 . . . . . . . . 5799 1 1057 . 1 1 165 165 VAL N N 15 121.2 0.20 . 1 . . . . . . . . 5799 1 1058 . 1 1 165 165 VAL H H 1 8.33 0.02 . 1 . . . . . . . . 5799 1 1059 . 1 1 165 165 VAL CA C 13 59.9 0.20 . 1 . . . . . . . . 5799 1 1060 . 1 1 165 165 VAL HA H 1 5.56 0.02 . 1 . . . . . . . . 5799 1 1061 . 1 1 165 165 VAL CB C 13 34.5 0.20 . 1 . . . . . . . . 5799 1 1062 . 1 1 165 165 VAL HB H 1 1.93 0.02 . 1 . . . . . . . . 5799 1 1063 . 1 1 165 165 VAL C C 13 175.4 0.20 . 1 . . . . . . . . 5799 1 1064 . 1 1 166 166 GLY N N 15 110.4 0.20 . 1 . . . . . . . . 5799 1 1065 . 1 1 166 166 GLY H H 1 8.28 0.02 . 1 . . . . . . . . 5799 1 1066 . 1 1 166 166 GLY CA C 13 45.8 0.20 . 1 . . . . . . . . 5799 1 1067 . 1 1 166 166 GLY C C 13 170.7 0.20 . 1 . . . . . . . . 5799 1 1068 . 1 1 167 167 ASP N N 15 115.4 0.20 . 1 . . . . . . . . 5799 1 1069 . 1 1 167 167 ASP H H 1 7.66 0.02 . 1 . . . . . . . . 5799 1 1070 . 1 1 167 167 ASP CA C 13 54.4 0.20 . 1 . . . . . . . . 5799 1 1071 . 1 1 167 167 ASP HA H 1 5.12 0.02 . 1 . . . . . . . . 5799 1 1072 . 1 1 167 167 ASP CB C 13 46.0 0.20 . 1 . . . . . . . . 5799 1 1073 . 1 1 167 167 ASP C C 13 174.5 0.20 . 1 . . . . . . . . 5799 1 1074 . 1 1 168 168 GLY N N 15 109.4 0.20 . 1 . . . . . . . . 5799 1 1075 . 1 1 168 168 GLY H H 1 9.01 0.02 . 1 . . . . . . . . 5799 1 1076 . 1 1 168 168 GLY CA C 13 44.0 0.20 . 1 . . . . . . . . 5799 1 1077 . 1 1 168 168 GLY C C 13 175.4 0.20 . 1 . . . . . . . . 5799 1 1078 . 1 1 169 169 ALA N N 15 119.3 0.20 . 1 . . . . . . . . 5799 1 1079 . 1 1 169 169 ALA H H 1 8.97 0.02 . 1 . . . . . . . . 5799 1 1080 . 1 1 169 169 ALA CA C 13 54.9 0.20 . 1 . . . . . . . . 5799 1 1081 . 1 1 169 169 ALA CB C 13 19.6 0.20 . 1 . . . . . . . . 5799 1 1082 . 1 1 169 169 ALA C C 13 179.5 0.20 . 1 . . . . . . . . 5799 1 1083 . 1 1 170 170 ASN N N 15 112.0 0.20 . 1 . . . . . . . . 5799 1 1084 . 1 1 170 170 ASN H H 1 8.04 0.02 . 1 . . . . . . . . 5799 1 1085 . 1 1 170 170 ASN CA C 13 53.6 0.20 . 1 . . . . . . . . 5799 1 1086 . 1 1 170 170 ASN HA H 1 4.04 0.02 . 1 . . . . . . . . 5799 1 1087 . 1 1 170 170 ASN CB C 13 36.3 0.20 . 1 . . . . . . . . 5799 1 1088 . 1 1 170 170 ASN C C 13 175.1 0.20 . 1 . . . . . . . . 5799 1 1089 . 1 1 171 171 ASP N N 15 118.4 0.20 . 1 . . . . . . . . 5799 1 1090 . 1 1 171 171 ASP H H 1 7.80 0.02 . 1 . . . . . . . . 5799 1 1091 . 1 1 171 171 ASP CA C 13 55.6 0.20 . 1 . . . . . . . . 5799 1 1092 . 1 1 171 171 ASP HA H 1 4.73 0.02 . 1 . . . . . . . . 5799 1 1093 . 1 1 171 171 ASP CB C 13 41.7 0.20 . 1 . . . . . . . . 5799 1 1094 . 1 1 171 171 ASP C C 13 177.6 0.20 . 1 . . . . . . . . 5799 1 1095 . 1 1 172 172 ILE N N 15 123.0 0.20 . 1 . . . . . . . . 5799 1 1096 . 1 1 172 172 ILE H H 1 7.54 0.02 . 1 . . . . . . . . 5799 1 1097 . 1 1 172 172 ILE CA C 13 65.4 0.20 . 1 . . . . . . . . 5799 1 1098 . 1 1 172 172 ILE CB C 13 37.9 0.20 . 1 . . . . . . . . 5799 1 1099 . 1 1 172 172 ILE C C 13 178.6 0.20 . 1 . . . . . . . . 5799 1 1100 . 1 1 173 173 SER N N 15 113.2 0.20 . 1 . . . . . . . . 5799 1 1101 . 1 1 173 173 SER H H 1 8.52 0.02 . 1 . . . . . . . . 5799 1 1102 . 1 1 173 173 SER CA C 13 61.5 0.20 . 1 . . . . . . . . 5799 1 1103 . 1 1 173 173 SER HA H 1 4.10 0.02 . 1 . . . . . . . . 5799 1 1104 . 1 1 173 173 SER CB C 13 62.8 0.20 . 1 . . . . . . . . 5799 1 1105 . 1 1 173 173 SER C C 13 177.2 0.20 . 1 . . . . . . . . 5799 1 1106 . 1 1 174 174 MET N N 15 117.5 0.20 . 1 . . . . . . . . 5799 1 1107 . 1 1 174 174 MET H H 1 6.88 0.02 . 1 . . . . . . . . 5799 1 1108 . 1 1 174 174 MET CA C 13 57.9 0.20 . 1 . . . . . . . . 5799 1 1109 . 1 1 174 174 MET HA H 1 4.33 0.02 . 1 . . . . . . . . 5799 1 1110 . 1 1 174 174 MET CB C 13 32.7 0.20 . 1 . . . . . . . . 5799 1 1111 . 1 1 174 174 MET C C 13 177.0 0.20 . 1 . . . . . . . . 5799 1 1112 . 1 1 175 175 PHE N N 15 123.0 0.20 . 1 . . . . . . . . 5799 1 1113 . 1 1 175 175 PHE H H 1 7.93 0.02 . 1 . . . . . . . . 5799 1 1114 . 1 1 175 175 PHE CA C 13 59.1 0.20 . 1 . . . . . . . . 5799 1 1115 . 1 1 175 175 PHE HA H 1 4.24 0.02 . 1 . . . . . . . . 5799 1 1116 . 1 1 175 175 PHE CB C 13 37.4 0.20 . 1 . . . . . . . . 5799 1 1117 . 1 1 175 175 PHE C C 13 177.4 0.20 . 1 . . . . . . . . 5799 1 1118 . 1 1 176 176 LYS N N 15 114.8 0.20 . 1 . . . . . . . . 5799 1 1119 . 1 1 176 176 LYS H H 1 7.74 0.02 . 1 . . . . . . . . 5799 1 1120 . 1 1 176 176 LYS CA C 13 58.8 0.20 . 1 . . . . . . . . 5799 1 1121 . 1 1 176 176 LYS HA H 1 4.09 0.02 . 1 . . . . . . . . 5799 1 1122 . 1 1 176 176 LYS CB C 13 33.1 0.20 . 1 . . . . . . . . 5799 1 1123 . 1 1 176 176 LYS HB3 H 1 1.98 0.02 . 2 . . . . . . . . 5799 1 1124 . 1 1 176 176 LYS C C 13 177.5 0.20 . 1 . . . . . . . . 5799 1 1125 . 1 1 177 177 LYS N N 15 114.3 0.20 . 1 . . . . . . . . 5799 1 1126 . 1 1 177 177 LYS H H 1 6.86 0.02 . 1 . . . . . . . . 5799 1 1127 . 1 1 177 177 LYS CA C 13 54.5 0.20 . 1 . . . . . . . . 5799 1 1128 . 1 1 177 177 LYS HA H 1 4.46 0.02 . 1 . . . . . . . . 5799 1 1129 . 1 1 177 177 LYS CB C 13 35.6 0.20 . 1 . . . . . . . . 5799 1 1130 . 1 1 177 177 LYS HB3 H 1 1.76 0.02 . 2 . . . . . . . . 5799 1 1131 . 1 1 177 177 LYS C C 13 175.1 0.20 . 1 . . . . . . . . 5799 1 1132 . 1 1 178 178 ALA N N 15 119.4 0.20 . 1 . . . . . . . . 5799 1 1133 . 1 1 178 178 ALA H H 1 7.08 0.02 . 1 . . . . . . . . 5799 1 1134 . 1 1 178 178 ALA CA C 13 51.0 0.20 . 1 . . . . . . . . 5799 1 1135 . 1 1 178 178 ALA HA H 1 4.53 0.02 . 1 . . . . . . . . 5799 1 1136 . 1 1 178 178 ALA CB C 13 21.6 0.20 . 1 . . . . . . . . 5799 1 1137 . 1 1 178 178 ALA HB1 H 1 1.26 0.02 . 1 . . . . . . . . 5799 1 1138 . 1 1 178 178 ALA HB2 H 1 1.26 0.02 . 1 . . . . . . . . 5799 1 1139 . 1 1 178 178 ALA HB3 H 1 1.26 0.02 . 1 . . . . . . . . 5799 1 1140 . 1 1 178 178 ALA C C 13 177.6 0.20 . 1 . . . . . . . . 5799 1 1141 . 1 1 179 179 GLY N N 15 109.7 0.20 . 1 . . . . . . . . 5799 1 1142 . 1 1 179 179 GLY H H 1 7.81 0.02 . 1 . . . . . . . . 5799 1 1143 . 1 1 179 179 GLY CA C 13 46.4 0.20 . 1 . . . . . . . . 5799 1 1144 . 1 1 179 179 GLY HA2 H 1 4.02 0.02 . 2 . . . . . . . . 5799 1 1145 . 1 1 179 179 GLY C C 13 174.2 0.20 . 1 . . . . . . . . 5799 1 1146 . 1 1 180 180 LEU N N 15 122.4 0.20 . 1 . . . . . . . . 5799 1 1147 . 1 1 180 180 LEU H H 1 7.66 0.02 . 1 . . . . . . . . 5799 1 1148 . 1 1 180 180 LEU CA C 13 54.4 0.20 . 1 . . . . . . . . 5799 1 1149 . 1 1 180 180 LEU HA H 1 4.78 0.02 . 1 . . . . . . . . 5799 1 1150 . 1 1 180 180 LEU CB C 13 45.3 0.20 . 1 . . . . . . . . 5799 1 1151 . 1 1 180 180 LEU HB3 H 1 1.64 0.02 . 2 . . . . . . . . 5799 1 1152 . 1 1 180 180 LEU C C 13 174.7 0.20 . 1 . . . . . . . . 5799 1 1153 . 1 1 181 181 LYS N N 15 127.7 0.20 . 1 . . . . . . . . 5799 1 1154 . 1 1 181 181 LYS H H 1 9.31 0.02 . 1 . . . . . . . . 5799 1 1155 . 1 1 181 181 LYS CA C 13 55.4 0.20 . 1 . . . . . . . . 5799 1 1156 . 1 1 181 181 LYS HA H 1 4.11 0.02 . 1 . . . . . . . . 5799 1 1157 . 1 1 181 181 LYS CB C 13 31.4 0.20 . 1 . . . . . . . . 5799 1 1158 . 1 1 181 181 LYS C C 13 175.4 0.20 . 1 . . . . . . . . 5799 1 1159 . 1 1 182 182 ILE N N 15 125.5 0.20 . 1 . . . . . . . . 5799 1 1160 . 1 1 182 182 ILE H H 1 8.83 0.02 . 1 . . . . . . . . 5799 1 1161 . 1 1 182 182 ILE CA C 13 60.1 0.20 . 1 . . . . . . . . 5799 1 1162 . 1 1 182 182 ILE HA H 1 4.81 0.02 . 1 . . . . . . . . 5799 1 1163 . 1 1 182 182 ILE CB C 13 39.1 0.20 . 1 . . . . . . . . 5799 1 1164 . 1 1 182 182 ILE HB H 1 2.10 0.02 . 1 . . . . . . . . 5799 1 1165 . 1 1 182 182 ILE C C 13 174.0 0.20 . 1 . . . . . . . . 5799 1 1166 . 1 1 183 183 ALA N N 15 131.1 0.20 . 1 . . . . . . . . 5799 1 1167 . 1 1 183 183 ALA H H 1 9.00 0.02 . 1 . . . . . . . . 5799 1 1168 . 1 1 183 183 ALA CA C 13 49.9 0.20 . 1 . . . . . . . . 5799 1 1169 . 1 1 183 183 ALA HA H 1 5.15 0.02 . 1 . . . . . . . . 5799 1 1170 . 1 1 183 183 ALA CB C 13 20.3 0.20 . 1 . . . . . . . . 5799 1 1171 . 1 1 183 183 ALA HB1 H 1 1.51 0.02 . 1 . . . . . . . . 5799 1 1172 . 1 1 183 183 ALA HB2 H 1 1.51 0.02 . 1 . . . . . . . . 5799 1 1173 . 1 1 183 183 ALA HB3 H 1 1.51 0.02 . 1 . . . . . . . . 5799 1 1174 . 1 1 183 183 ALA C C 13 175.1 0.20 . 1 . . . . . . . . 5799 1 1175 . 1 1 184 184 PHE N N 15 129.7 0.20 . 1 . . . . . . . . 5799 1 1176 . 1 1 184 184 PHE H H 1 9.29 0.02 . 1 . . . . . . . . 5799 1 1177 . 1 1 184 184 PHE CA C 13 57.3 0.20 . 1 . . . . . . . . 5799 1 1178 . 1 1 184 184 PHE HA H 1 4.75 0.02 . 1 . . . . . . . . 5799 1 1179 . 1 1 184 184 PHE CB C 13 41.7 0.20 . 1 . . . . . . . . 5799 1 1180 . 1 1 184 184 PHE HB2 H 1 2.59 0.02 . 2 . . . . . . . . 5799 1 1181 . 1 1 184 184 PHE HB3 H 1 3.16 0.02 . 2 . . . . . . . . 5799 1 1182 . 1 1 184 184 PHE C C 13 171.1 0.20 . 1 . . . . . . . . 5799 1 1183 . 1 1 185 185 CYS N N 15 125.7 0.20 . 1 . . . . . . . . 5799 1 1184 . 1 1 185 185 CYS H H 1 8.97 0.02 . 1 . . . . . . . . 5799 1 1185 . 1 1 185 185 CYS CA C 13 59.7 0.20 . 1 . . . . . . . . 5799 1 1186 . 1 1 185 185 CYS HA H 1 3.77 0.02 . 1 . . . . . . . . 5799 1 1187 . 1 1 185 185 CYS CB C 13 26.6 0.20 . 1 . . . . . . . . 5799 1 1188 . 1 1 185 185 CYS HB3 H 1 2.65 0.02 . 2 . . . . . . . . 5799 1 1189 . 1 1 185 185 CYS C C 13 176.4 0.20 . 1 . . . . . . . . 5799 1 1190 . 1 1 186 186 ALA N N 15 118.1 0.20 . 1 . . . . . . . . 5799 1 1191 . 1 1 186 186 ALA H H 1 8.31 0.02 . 1 . . . . . . . . 5799 1 1192 . 1 1 186 186 ALA CA C 13 52.3 0.20 . 1 . . . . . . . . 5799 1 1193 . 1 1 186 186 ALA HA H 1 4.62 0.02 . 1 . . . . . . . . 5799 1 1194 . 1 1 186 186 ALA CB C 13 25.3 0.20 . 1 . . . . . . . . 5799 1 1195 . 1 1 186 186 ALA HB1 H 1 1.63 0.02 . 1 . . . . . . . . 5799 1 1196 . 1 1 186 186 ALA HB2 H 1 1.63 0.02 . 1 . . . . . . . . 5799 1 1197 . 1 1 186 186 ALA HB3 H 1 1.63 0.02 . 1 . . . . . . . . 5799 1 1198 . 1 1 186 186 ALA C C 13 177.9 0.20 . 1 . . . . . . . . 5799 1 1199 . 1 1 187 187 LYS N N 15 119.2 0.20 . 1 . . . . . . . . 5799 1 1200 . 1 1 187 187 LYS H H 1 8.48 0.02 . 1 . . . . . . . . 5799 1 1201 . 1 1 187 187 LYS CA C 13 54.1 0.20 . 1 . . . . . . . . 5799 1 1202 . 1 1 188 188 PRO CA C 13 67.0 0.20 . 1 . . . . . . . . 5799 1 1203 . 1 1 188 188 PRO HA H 1 4.08 0.02 . 1 . . . . . . . . 5799 1 1204 . 1 1 188 188 PRO CB C 13 32.4 0.20 . 1 . . . . . . . . 5799 1 1205 . 1 1 188 188 PRO C C 13 177.8 0.20 . 1 . . . . . . . . 5799 1 1206 . 1 1 189 189 ILE N N 15 114.5 0.20 . 1 . . . . . . . . 5799 1 1207 . 1 1 189 189 ILE H H 1 8.12 0.02 . 1 . . . . . . . . 5799 1 1208 . 1 1 189 189 ILE CA C 13 62.5 0.20 . 1 . . . . . . . . 5799 1 1209 . 1 1 189 189 ILE HA H 1 4.11 0.02 . 1 . . . . . . . . 5799 1 1210 . 1 1 189 189 ILE CB C 13 37.9 0.20 . 1 . . . . . . . . 5799 1 1211 . 1 1 189 189 ILE C C 13 174.9 0.20 . 1 . . . . . . . . 5799 1 1212 . 1 1 190 190 LEU N N 15 121.1 0.20 . 1 . . . . . . . . 5799 1 1213 . 1 1 190 190 LEU H H 1 7.08 0.02 . 1 . . . . . . . . 5799 1 1214 . 1 1 190 190 LEU CA C 13 55.2 0.20 . 1 . . . . . . . . 5799 1 1215 . 1 1 190 190 LEU HA H 1 4.16 0.02 . 1 . . . . . . . . 5799 1 1216 . 1 1 190 190 LEU CB C 13 44.0 0.20 . 1 . . . . . . . . 5799 1 1217 . 1 1 190 190 LEU C C 13 179.5 0.20 . 1 . . . . . . . . 5799 1 1218 . 1 1 191 191 LYS N N 15 118.2 0.20 . 1 . . . . . . . . 5799 1 1219 . 1 1 191 191 LYS H H 1 7.64 0.02 . 1 . . . . . . . . 5799 1 1220 . 1 1 191 191 LYS CA C 13 60.3 0.20 . 1 . . . . . . . . 5799 1 1221 . 1 1 191 191 LYS HA H 1 3.67 0.02 . 1 . . . . . . . . 5799 1 1222 . 1 1 191 191 LYS CB C 13 32.5 0.20 . 1 . . . . . . . . 5799 1 1223 . 1 1 191 191 LYS HB3 H 1 1.93 0.02 . 2 . . . . . . . . 5799 1 1224 . 1 1 191 191 LYS C C 13 179.2 0.20 . 1 . . . . . . . . 5799 1 1225 . 1 1 192 192 GLU N N 15 113.7 0.20 . 1 . . . . . . . . 5799 1 1226 . 1 1 192 192 GLU H H 1 7.42 0.02 . 1 . . . . . . . . 5799 1 1227 . 1 1 192 192 GLU CA C 13 57.9 0.20 . 1 . . . . . . . . 5799 1 1228 . 1 1 192 192 GLU HA H 1 4.14 0.02 . 1 . . . . . . . . 5799 1 1229 . 1 1 192 192 GLU CB C 13 30.2 0.20 . 1 . . . . . . . . 5799 1 1230 . 1 1 192 192 GLU HB3 H 1 2.12 0.02 . 2 . . . . . . . . 5799 1 1231 . 1 1 192 192 GLU C C 13 177.0 0.20 . 1 . . . . . . . . 5799 1 1232 . 1 1 193 193 LYS N N 15 115.8 0.20 . 1 . . . . . . . . 5799 1 1233 . 1 1 193 193 LYS H H 1 7.35 0.02 . 1 . . . . . . . . 5799 1 1234 . 1 1 193 193 LYS CA C 13 54.0 0.20 . 1 . . . . . . . . 5799 1 1235 . 1 1 193 193 LYS HA H 1 4.58 0.02 . 1 . . . . . . . . 5799 1 1236 . 1 1 193 193 LYS CB C 13 34.1 0.20 . 1 . . . . . . . . 5799 1 1237 . 1 1 193 193 LYS HB2 H 1 1.92 0.02 . 2 . . . . . . . . 5799 1 1238 . 1 1 193 193 LYS HB3 H 1 2.38 0.02 . 2 . . . . . . . . 5799 1 1239 . 1 1 193 193 LYS C C 13 175.7 0.20 . 1 . . . . . . . . 5799 1 1240 . 1 1 194 194 ALA N N 15 121.0 0.20 . 1 . . . . . . . . 5799 1 1241 . 1 1 194 194 ALA H H 1 7.18 0.02 . 1 . . . . . . . . 5799 1 1242 . 1 1 194 194 ALA CA C 13 51.7 0.20 . 1 . . . . . . . . 5799 1 1243 . 1 1 194 194 ALA HA H 1 4.01 0.02 . 1 . . . . . . . . 5799 1 1244 . 1 1 194 194 ALA CB C 13 22.9 0.20 . 1 . . . . . . . . 5799 1 1245 . 1 1 194 194 ALA HB1 H 1 0.59 0.02 . 1 . . . . . . . . 5799 1 1246 . 1 1 194 194 ALA HB2 H 1 0.59 0.02 . 1 . . . . . . . . 5799 1 1247 . 1 1 194 194 ALA HB3 H 1 0.59 0.02 . 1 . . . . . . . . 5799 1 1248 . 1 1 194 194 ALA C C 13 177.4 0.20 . 1 . . . . . . . . 5799 1 1249 . 1 1 195 195 ASP N N 15 119.0 0.20 . 1 . . . . . . . . 5799 1 1250 . 1 1 195 195 ASP H H 1 8.52 0.02 . 1 . . . . . . . . 5799 1 1251 . 1 1 195 195 ASP CA C 13 57.1 0.20 . 1 . . . . . . . . 5799 1 1252 . 1 1 195 195 ASP HA H 1 4.75 0.02 . 1 . . . . . . . . 5799 1 1253 . 1 1 195 195 ASP CB C 13 43.4 0.20 . 1 . . . . . . . . 5799 1 1254 . 1 1 195 195 ASP HB3 H 1 2.81 0.02 . 2 . . . . . . . . 5799 1 1255 . 1 1 195 195 ASP C C 13 176.2 0.20 . 1 . . . . . . . . 5799 1 1256 . 1 1 196 196 ILE N N 15 118.0 0.20 . 1 . . . . . . . . 5799 1 1257 . 1 1 196 196 ILE H H 1 7.45 0.02 . 1 . . . . . . . . 5799 1 1258 . 1 1 196 196 ILE CA C 13 58.5 0.20 . 1 . . . . . . . . 5799 1 1259 . 1 1 196 196 ILE HA H 1 4.31 0.02 . 1 . . . . . . . . 5799 1 1260 . 1 1 196 196 ILE CB C 13 42.8 0.20 . 1 . . . . . . . . 5799 1 1261 . 1 1 196 196 ILE HB H 1 1.45 0.02 . 1 . . . . . . . . 5799 1 1262 . 1 1 196 196 ILE C C 13 174.5 0.20 . 1 . . . . . . . . 5799 1 1263 . 1 1 197 197 CYS N N 15 124.2 0.20 . 1 . . . . . . . . 5799 1 1264 . 1 1 197 197 CYS H H 1 8.74 0.02 . 1 . . . . . . . . 5799 1 1265 . 1 1 197 197 CYS CA C 13 57.2 0.20 . 1 . . . . . . . . 5799 1 1266 . 1 1 197 197 CYS HA H 1 5.31 0.02 . 1 . . . . . . . . 5799 1 1267 . 1 1 197 197 CYS CB C 13 29.0 0.20 . 1 . . . . . . . . 5799 1 1268 . 1 1 197 197 CYS C C 13 173.9 0.20 . 1 . . . . . . . . 5799 1 1269 . 1 1 198 198 ILE N N 15 125.8 0.20 . 1 . . . . . . . . 5799 1 1270 . 1 1 198 198 ILE H H 1 8.85 0.02 . 1 . . . . . . . . 5799 1 1271 . 1 1 198 198 ILE CA C 13 60.2 0.20 . 1 . . . . . . . . 5799 1 1272 . 1 1 198 198 ILE HA H 1 4.33 0.02 . 1 . . . . . . . . 5799 1 1273 . 1 1 198 198 ILE C C 13 175.9 0.20 . 1 . . . . . . . . 5799 1 1274 . 1 1 199 199 GLU N N 15 126.2 0.20 . 1 . . . . . . . . 5799 1 1275 . 1 1 199 199 GLU H H 1 8.87 0.02 . 1 . . . . . . . . 5799 1 1276 . 1 1 199 199 GLU CA C 13 55.0 0.20 . 1 . . . . . . . . 5799 1 1277 . 1 1 199 199 GLU HA H 1 4.86 0.02 . 1 . . . . . . . . 5799 1 1278 . 1 1 199 199 GLU CB C 13 30.7 0.20 . 1 . . . . . . . . 5799 1 1279 . 1 1 199 199 GLU HB2 H 1 1.65 0.02 . 2 . . . . . . . . 5799 1 1280 . 1 1 199 199 GLU HB3 H 1 2.37 0.02 . 2 . . . . . . . . 5799 1 1281 . 1 1 199 199 GLU C C 13 175.6 0.20 . 1 . . . . . . . . 5799 1 1282 . 1 1 200 200 LYS N N 15 122.3 0.20 . 1 . . . . . . . . 5799 1 1283 . 1 1 200 200 LYS H H 1 6.98 0.02 . 1 . . . . . . . . 5799 1 1284 . 1 1 200 200 LYS CA C 13 54.3 0.20 . 1 . . . . . . . . 5799 1 1285 . 1 1 200 200 LYS HA H 1 4.78 0.02 . 1 . . . . . . . . 5799 1 1286 . 1 1 200 200 LYS CB C 13 35.0 0.20 . 1 . . . . . . . . 5799 1 1287 . 1 1 200 200 LYS HB3 H 1 1.77 0.02 . 2 . . . . . . . . 5799 1 1288 . 1 1 200 200 LYS C C 13 175.5 0.20 . 1 . . . . . . . . 5799 1 1289 . 1 1 201 201 ARG N N 15 127.0 0.20 . 1 . . . . . . . . 5799 1 1290 . 1 1 201 201 ARG H H 1 8.56 0.02 . 1 . . . . . . . . 5799 1 1291 . 1 1 201 201 ARG CA C 13 55.8 0.20 . 1 . . . . . . . . 5799 1 1292 . 1 1 201 201 ARG HA H 1 4.07 0.02 . 1 . . . . . . . . 5799 1 1293 . 1 1 201 201 ARG CB C 13 28.0 0.20 . 1 . . . . . . . . 5799 1 1294 . 1 1 201 201 ARG C C 13 174.6 0.20 . 1 . . . . . . . . 5799 1 1295 . 1 1 202 202 ASP N N 15 125.2 0.20 . 1 . . . . . . . . 5799 1 1296 . 1 1 202 202 ASP H H 1 8.32 0.02 . 1 . . . . . . . . 5799 1 1297 . 1 1 202 202 ASP CA C 13 53.4 0.20 . 1 . . . . . . . . 5799 1 1298 . 1 1 202 202 ASP HA H 1 4.76 0.02 . 1 . . . . . . . . 5799 1 1299 . 1 1 202 202 ASP CB C 13 42.8 0.20 . 1 . . . . . . . . 5799 1 1300 . 1 1 202 202 ASP HB3 H 1 2.68 0.02 . 2 . . . . . . . . 5799 1 1301 . 1 1 202 202 ASP C C 13 178.2 0.20 . 1 . . . . . . . . 5799 1 1302 . 1 1 203 203 LEU N N 15 127.2 0.20 . 1 . . . . . . . . 5799 1 1303 . 1 1 203 203 LEU H H 1 9.24 0.02 . 1 . . . . . . . . 5799 1 1304 . 1 1 203 203 LEU CA C 13 57.2 0.20 . 1 . . . . . . . . 5799 1 1305 . 1 1 203 203 LEU HA H 1 4.00 0.02 . 1 . . . . . . . . 5799 1 1306 . 1 1 203 203 LEU CB C 13 42.4 0.20 . 1 . . . . . . . . 5799 1 1307 . 1 1 203 203 LEU HB2 H 1 1.23 0.02 . 2 . . . . . . . . 5799 1 1308 . 1 1 203 203 LEU HB3 H 1 1.45 0.02 . 2 . . . . . . . . 5799 1 1309 . 1 1 203 203 LEU C C 13 177.7 0.20 . 1 . . . . . . . . 5799 1 1310 . 1 1 204 204 ARG N N 15 116.4 0.20 . 1 . . . . . . . . 5799 1 1311 . 1 1 204 204 ARG H H 1 8.68 0.02 . 1 . . . . . . . . 5799 1 1312 . 1 1 204 204 ARG CA C 13 58.1 0.20 . 1 . . . . . . . . 5799 1 1313 . 1 1 204 204 ARG HA H 1 4.21 0.02 . 1 . . . . . . . . 5799 1 1314 . 1 1 204 204 ARG CB C 13 29.7 0.20 . 1 . . . . . . . . 5799 1 1315 . 1 1 204 204 ARG C C 13 181.0 0.20 . 1 . . . . . . . . 5799 1 1316 . 1 1 205 205 GLU N N 15 118.9 0.20 . 1 . . . . . . . . 5799 1 1317 . 1 1 205 205 GLU H H 1 8.01 0.02 . 1 . . . . . . . . 5799 1 1318 . 1 1 205 205 GLU CA C 13 58.5 0.20 . 1 . . . . . . . . 5799 1 1319 . 1 1 205 205 GLU HA H 1 4.03 0.02 . 1 . . . . . . . . 5799 1 1320 . 1 1 205 205 GLU CB C 13 32.3 0.20 . 1 . . . . . . . . 5799 1 1321 . 1 1 205 205 GLU HB3 H 1 2.46 0.02 . 2 . . . . . . . . 5799 1 1322 . 1 1 205 205 GLU C C 13 179.1 0.20 . 1 . . . . . . . . 5799 1 1323 . 1 1 206 206 ILE N N 15 111.9 0.20 . 1 . . . . . . . . 5799 1 1324 . 1 1 206 206 ILE H H 1 7.98 0.02 . 1 . . . . . . . . 5799 1 1325 . 1 1 206 206 ILE CA C 13 64.6 0.20 . 1 . . . . . . . . 5799 1 1326 . 1 1 206 206 ILE HA H 1 4.03 0.02 . 1 . . . . . . . . 5799 1 1327 . 1 1 206 206 ILE CB C 13 38.1 0.20 . 1 . . . . . . . . 5799 1 1328 . 1 1 206 206 ILE HB H 1 2.12 0.02 . 1 . . . . . . . . 5799 1 1329 . 1 1 206 206 ILE C C 13 177.8 0.20 . 1 . . . . . . . . 5799 1 1330 . 1 1 207 207 LEU N N 15 116.5 0.20 . 1 . . . . . . . . 5799 1 1331 . 1 1 207 207 LEU H H 1 7.47 0.02 . 1 . . . . . . . . 5799 1 1332 . 1 1 207 207 LEU CA C 13 56.3 0.20 . 1 . . . . . . . . 5799 1 1333 . 1 1 207 207 LEU HA H 1 3.93 0.02 . 1 . . . . . . . . 5799 1 1334 . 1 1 207 207 LEU CB C 13 41.1 0.20 . 1 . . . . . . . . 5799 1 1335 . 1 1 207 207 LEU HB3 H 1 1.59 0.02 . 2 . . . . . . . . 5799 1 1336 . 1 1 207 207 LEU C C 13 178.2 0.20 . 1 . . . . . . . . 5799 1 1337 . 1 1 208 208 LYS N N 15 116.0 0.20 . 1 . . . . . . . . 5799 1 1338 . 1 1 208 208 LYS H H 1 7.26 0.02 . 1 . . . . . . . . 5799 1 1339 . 1 1 208 208 LYS CA C 13 57.7 0.20 . 1 . . . . . . . . 5799 1 1340 . 1 1 208 208 LYS HA H 1 4.01 0.02 . 1 . . . . . . . . 5799 1 1341 . 1 1 208 208 LYS CB C 13 32.3 0.20 . 1 . . . . . . . . 5799 1 1342 . 1 1 208 208 LYS HB3 H 1 1.34 0.02 . 2 . . . . . . . . 5799 1 1343 . 1 1 208 208 LYS C C 13 177.2 0.20 . 1 . . . . . . . . 5799 1 1344 . 1 1 209 209 TYR N N 15 115.0 0.20 . 1 . . . . . . . . 5799 1 1345 . 1 1 209 209 TYR H H 1 7.41 0.02 . 1 . . . . . . . . 5799 1 1346 . 1 1 209 209 TYR CA C 13 58.0 0.20 . 1 . . . . . . . . 5799 1 1347 . 1 1 209 209 TYR HA H 1 4.62 0.02 . 1 . . . . . . . . 5799 1 1348 . 1 1 209 209 TYR CB C 13 41.1 0.20 . 1 . . . . . . . . 5799 1 1349 . 1 1 209 209 TYR HB2 H 1 2.60 0.02 . 2 . . . . . . . . 5799 1 1350 . 1 1 209 209 TYR HB3 H 1 3.42 0.02 . 2 . . . . . . . . 5799 1 1351 . 1 1 209 209 TYR C C 13 174.9 0.20 . 1 . . . . . . . . 5799 1 1352 . 1 1 210 210 ILE N N 15 115.9 0.20 . 1 . . . . . . . . 5799 1 1353 . 1 1 210 210 ILE H H 1 6.93 0.02 . 1 . . . . . . . . 5799 1 1354 . 1 1 210 210 ILE CA C 13 59.6 0.20 . 1 . . . . . . . . 5799 1 1355 . 1 1 210 210 ILE HA H 1 4.32 0.02 . 1 . . . . . . . . 5799 1 1356 . 1 1 210 210 ILE CB C 13 38.8 0.20 . 1 . . . . . . . . 5799 1 1357 . 1 1 210 210 ILE HB H 1 1.99 0.02 . 1 . . . . . . . . 5799 1 1358 . 1 1 210 210 ILE C C 13 174.7 0.20 . 1 . . . . . . . . 5799 1 1359 . 1 1 211 211 LYS N N 15 129.7 0.20 . 1 . . . . . . . . 5799 1 1360 . 1 1 211 211 LYS H H 1 8.24 0.02 . 1 . . . . . . . . 5799 1 1361 . 1 1 211 211 LYS CA C 13 57.3 0.20 . 1 . . . . . . . . 5799 1 1362 . 1 1 211 211 LYS HA H 1 4.31 0.02 . 1 . . . . . . . . 5799 1 stop_ save_