data_15067 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15067 _Entry.Title ; 2-PGA-bound PGG/GGG chicken Triosephosphate Isomerase (TIM) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-12-05 _Entry.Accession_date 2006-12-05 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details '2-PGA-bound PGG/GGG chicken Triosephosphate Isomerase (TIM)' _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 James Kempf . G. . 15067 2 Ju-yeon Jung . . . 15067 3 Christina Ragain . . . 15067 4 Nicole Sampson . S. . 15067 5 Pat Loria . . . 15067 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Yale University' . 15067 2 . 'Stony Brook University' . 15067 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15067 heteronucl_NOEs 1 15067 heteronucl_T1_relaxation 1 15067 heteronucl_T2_relaxation 1 15067 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 394 15067 '15N chemical shifts' 177 15067 '1H chemical shifts' 177 15067 'heteronuclear NOE values' 172 15067 'T1 relaxation values' 172 15067 'T2 relaxation values' 172 15067 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 2 . . 2007-05-18 2006-12-05 update author 'complete entry citation' 15067 1 . . 2007-02-23 2006-12-05 original author 'original release' 15067 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15064 'apo WT cTIM' 15067 BMRB 15065 '2-PGA-bound WT cTIM' 15067 BMRB 15066 'apo PGG/GGG cTIM' 15067 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15067 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17336327 _Citation.Full_citation . _Citation.Title 'Dynamic Requirements for a Functional Protein Hinge' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 368 _Citation.Journal_issue 1 _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 131 _Citation.Page_last 149 _Citation.Year 2007 _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 James Kempf . G. . 15067 1 2 Ju-yeon Jung . . . 15067 1 3 Christina Ragain . . . 15067 1 4 Nicole Sampson . S. . 15067 1 5 J. Loria . Patrick . 15067 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Enzyme catalysis' 15067 1 'Loop motion' 15067 1 'NMR spectroscopy' 15067 1 'Protein dynamics' 15067 1 'Protein hinge' 15067 1 'Triosephosphate isomerase' 15067 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15067 _Assembly.ID 1 _Assembly.Name '2-PGA bound PGG/GGG' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic . _Assembly.Thiol_state . _Assembly.Molecular_mass 53200 _Assembly.Enzyme_commission_number 5.3.1.1 _Assembly.Details homodimer _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 'PGG/GGG monomer, 1' 1 $PGG_GGG A . yes native no no . . . 15067 1 2 'PGG/GGG monomer, 2' 1 $PGG_GGG A . yes native no no . . . 15067 1 3 2-PGA 2 $PGA A . no native no no . . . 15067 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PGG_GGG _Entity.Sf_category entity _Entity.Sf_framecode PGG_GGG _Entity.Entry_ID 15067 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PGG/GGG _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 ; MAPRKFFVGGNWKMNGDKKS LGELIHTLNGAKLSADTEVV CGAPSIYLDFARQKLDAKIG VAAQNCYKVPKGAFTGEISP AMIKDIGAAWVILGHSERRH VFGESDELIGQKVAHALAEG LGVIACIGEKLDEREAGITE KVVFEQTKAIADNVKDWSKV VLAYEPGGAIGTGGGGTPQQ AQEVHEKLRGWLKSHVSDAV AQSTRIIYGGSVTGGNCKEL ASQHDVDGFLVGGASLKPEF VDIINAKH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details '26.6kDa monomer of 53.1 kDa homodimer reported' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 248 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'PGG/GGG chicken TIM monomer' _Entity.Mutation 'V167G, W168G, K174G, T175G, A176G' _Entity.EC_number 5.3.1.1 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 26620 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15064 . triosephosphate_isomerase . . . . . 100.00 248 97.98 97.98 7.12e-174 . . . . 15067 1 2 no BMRB 15065 . triosephosphate_isomerase . . . . . 100.00 248 97.98 97.98 7.12e-174 . . . . 15067 1 3 no BMRB 15066 . PGG/GGG_mono . . . . . 100.00 248 100.00 100.00 1.17e-178 . . . . 15067 1 4 no PDB 1SPQ . "Understanding Protein Lids: Structural Analysis Of Active Hinge Mutants In Triosephosphate Isomerase" . . . . . 99.60 247 97.98 97.98 2.11e-172 . . . . 15067 1 5 no PDB 1SQ7 . "Understanding Protein Lids: Structural Analysis Of Active Hinge Mutants In Triosephosphate Isomerase" . . . . . 99.60 247 97.98 97.98 5.12e-172 . . . . 15067 1 6 no PDB 1SSD . "Understanding Protein Lids: Structural Analysis Of Active Hinge Mutants In Triosephosphate Isomerase" . . . . . 99.60 247 97.98 97.98 4.95e-172 . . . . 15067 1 7 no PDB 1SSG . "Understanding Protein Lids: Structural Analysis Of Active Hinge Mutants In Triosephosphate Isomerase" . . . . . 99.60 247 97.98 97.98 4.95e-172 . . . . 15067 1 8 no PDB 1SU5 . "Understanding Protein Lids: Structural Analysis Of Active Hinge Mutants In Triosephosphate Isomerase" . . . . . 99.60 247 97.98 97.98 1.22e-172 . . . . 15067 1 9 no PDB 1SW0 . "Triosephosphate Isomerase From Gallus Gallus, Loop 6 Hinge Mutant K174l, T175w" . . . . . 100.00 248 97.98 97.98 5.10e-173 . . . . 15067 1 10 no PDB 1SW3 . "Triosephosphate Isomerase From Gallus Gallus, Loop 6 Mutant T175v" . . . . . 100.00 248 97.98 97.98 2.48e-173 . . . . 15067 1 11 no PDB 1SW7 . "Triosephosphate Isomerase From Gallus Gallus, Loop 6 Mutant K174n, T175s, A176s" . . . . . 100.00 248 97.98 97.98 3.24e-174 . . . . 15067 1 12 no PDB 1TPB . "Offset Of A Catalytic Lesion By A Bound Water Soluble" . . . . . 99.60 247 97.17 97.98 1.38e-171 . . . . 15067 1 13 no PDB 1TPH . "1.8 Angstroms Crystal Structure Of Wild Type Chicken Triosephosphate Isomerase-Phosphoglycolohydroxamate Complex" . . . . . 99.60 247 97.57 97.98 3.57e-172 . . . . 15067 1 14 no PDB 1TPU . "S96p Change Is A Second-Site Suppressor For H95n Sluggish Mutant Triosephosphate Isomerase" . . . . . 99.60 247 97.17 97.98 1.90e-171 . . . . 15067 1 15 no PDB 1TPW . "Triosephosphate Isomerase Drinks Water To Keep Healthy" . . . . . 99.60 247 97.17 97.57 2.70e-171 . . . . 15067 1 16 no PDB 4P61 . "Chicken Triosephosphate Isomerase With Loop6 Mutations, V167p And W168e" . . . . . 100.00 248 97.98 97.98 3.58e-174 . . . . 15067 1 17 no PDB 8TIM . "Triose Phosphate Isomerase" . . . . . 99.60 247 97.57 97.98 3.57e-172 . . . . 15067 1 18 no EMBL CAE45562 . "triosephosphate isomerase, partial [Anser anser]" . . . . . 85.08 211 97.16 97.16 1.11e-142 . . . . 15067 1 19 no EMBL CAE45563 . "triosephosphate isomerase, partial [Meleagris gallopavo]" . . . . . 85.08 211 97.16 97.16 3.58e-142 . . . . 15067 1 20 no EMBL CAE45564 . "triosephosphate isomerase, partial [Phasianus colchicus]" . . . . . 85.08 211 97.16 97.16 1.02e-142 . . . . 15067 1 21 no GB AAA49094 . "TIM [Gallus gallus]" . . . . . 100.00 248 97.98 97.98 7.12e-174 . . . . 15067 1 22 no GB AAA49095 . "triosephosphate isomerase (EC 5.3.1.1) [Gallus gallus]" . . . . . 100.00 248 97.98 97.98 7.12e-174 . . . . 15067 1 23 no GB KFP89361 . "Triosephosphate isomerase, partial [Apaloderma vittatum]" . . . . . 85.08 211 97.16 97.16 2.68e-143 . . . . 15067 1 24 no GB KFP99577 . "Triosephosphate isomerase, partial [Haliaeetus albicilla]" . . . . . 85.08 211 97.16 97.16 2.68e-143 . . . . 15067 1 25 no GB KFQ92375 . "Triosephosphate isomerase, partial [Nipponia nippon]" . . . . . 85.08 211 97.16 97.16 2.68e-143 . . . . 15067 1 26 no REF NP_990782 . "triosephosphate isomerase [Gallus gallus]" . . . . . 100.00 248 97.98 97.98 7.12e-174 . . . . 15067 1 27 no REF XP_009506417 . "PREDICTED: triosephosphate isomerase, partial [Phalacrocorax carbo]" . . . . . 84.68 210 97.14 97.14 1.85e-142 . . . . 15067 1 28 no REF XP_010147293 . "PREDICTED: triosephosphate isomerase [Eurypyga helias]" . . . . . 67.34 167 97.01 97.01 1.04e-108 . . . . 15067 1 29 no REF XP_010168177 . "PREDICTED: triosephosphate isomerase, partial [Caprimulgus carolinensis]" . . . . . 84.68 210 97.14 97.14 1.85e-142 . . . . 15067 1 30 no REF XP_010716134 . "PREDICTED: triosephosphate isomerase [Meleagris gallopavo]" . . . . . 94.76 235 97.45 97.45 3.72e-161 . . . . 15067 1 31 no SP P00940 . "RecName: Full=Triosephosphate isomerase; Short=TIM; AltName: Full=Triose-phosphate isomerase" . . . . . 100.00 248 97.98 97.98 7.12e-174 . . . . 15067 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 . 15067 1 2 . ALA . 15067 1 3 . PRO . 15067 1 4 . ARG . 15067 1 5 . LYS . 15067 1 6 . PHE . 15067 1 7 . PHE . 15067 1 8 . VAL . 15067 1 9 . GLY . 15067 1 10 . GLY . 15067 1 11 . ASN . 15067 1 12 . TRP . 15067 1 13 . LYS . 15067 1 14 . MET . 15067 1 15 . ASN . 15067 1 16 . GLY . 15067 1 17 . ASP . 15067 1 18 . LYS . 15067 1 19 . LYS . 15067 1 20 . SER . 15067 1 21 . LEU . 15067 1 22 . GLY . 15067 1 23 . GLU . 15067 1 24 . LEU . 15067 1 25 . ILE . 15067 1 26 . HIS . 15067 1 27 . THR . 15067 1 28 . LEU . 15067 1 29 . ASN . 15067 1 30 . GLY . 15067 1 31 . ALA . 15067 1 32 . LYS . 15067 1 33 . LEU . 15067 1 34 . SER . 15067 1 35 . ALA . 15067 1 36 . ASP . 15067 1 37 . THR . 15067 1 38 . GLU . 15067 1 39 . VAL . 15067 1 40 . VAL . 15067 1 41 . CYS . 15067 1 42 . GLY . 15067 1 43 . ALA . 15067 1 44 . PRO . 15067 1 45 . SER . 15067 1 46 . ILE . 15067 1 47 . TYR . 15067 1 48 . LEU . 15067 1 49 . ASP . 15067 1 50 . PHE . 15067 1 51 . ALA . 15067 1 52 . ARG . 15067 1 53 . GLN . 15067 1 54 . LYS . 15067 1 55 . LEU . 15067 1 56 . ASP . 15067 1 57 . ALA . 15067 1 58 . LYS . 15067 1 59 . ILE . 15067 1 60 . GLY . 15067 1 61 . VAL . 15067 1 62 . ALA . 15067 1 63 . ALA . 15067 1 64 . GLN . 15067 1 65 . ASN . 15067 1 66 . CYS . 15067 1 67 . TYR . 15067 1 68 . LYS . 15067 1 69 . VAL . 15067 1 70 . PRO . 15067 1 71 . LYS . 15067 1 72 . GLY . 15067 1 73 . ALA . 15067 1 74 . PHE . 15067 1 75 . THR . 15067 1 76 . GLY . 15067 1 77 . GLU . 15067 1 78 . ILE . 15067 1 79 . SER . 15067 1 80 . PRO . 15067 1 81 . ALA . 15067 1 82 . MET . 15067 1 83 . ILE . 15067 1 84 . LYS . 15067 1 85 . ASP . 15067 1 86 . ILE . 15067 1 87 . GLY . 15067 1 88 . ALA . 15067 1 89 . ALA . 15067 1 90 . TRP . 15067 1 91 . VAL . 15067 1 92 . ILE . 15067 1 93 . LEU . 15067 1 94 . GLY . 15067 1 95 . HIS . 15067 1 96 . SER . 15067 1 97 . GLU . 15067 1 98 . ARG . 15067 1 99 . ARG . 15067 1 100 . HIS . 15067 1 101 . VAL . 15067 1 102 . PHE . 15067 1 103 . GLY . 15067 1 104 . GLU . 15067 1 105 . SER . 15067 1 106 . ASP . 15067 1 107 . GLU . 15067 1 108 . LEU . 15067 1 109 . ILE . 15067 1 110 . GLY . 15067 1 111 . GLN . 15067 1 112 . LYS . 15067 1 113 . VAL . 15067 1 114 . ALA . 15067 1 115 . HIS . 15067 1 116 . ALA . 15067 1 117 . LEU . 15067 1 118 . ALA . 15067 1 119 . GLU . 15067 1 120 . GLY . 15067 1 121 . LEU . 15067 1 122 . GLY . 15067 1 123 . VAL . 15067 1 124 . ILE . 15067 1 125 . ALA . 15067 1 126 . CYS . 15067 1 127 . ILE . 15067 1 128 . GLY . 15067 1 129 . GLU . 15067 1 130 . LYS . 15067 1 131 . LEU . 15067 1 132 . ASP . 15067 1 133 . GLU . 15067 1 134 . ARG . 15067 1 135 . GLU . 15067 1 136 . ALA . 15067 1 137 . GLY . 15067 1 138 . ILE . 15067 1 139 . THR . 15067 1 140 . GLU . 15067 1 141 . LYS . 15067 1 142 . VAL . 15067 1 143 . VAL . 15067 1 144 . PHE . 15067 1 145 . GLU . 15067 1 146 . GLN . 15067 1 147 . THR . 15067 1 148 . LYS . 15067 1 149 . ALA . 15067 1 150 . ILE . 15067 1 151 . ALA . 15067 1 152 . ASP . 15067 1 153 . ASN . 15067 1 154 . VAL . 15067 1 155 . LYS . 15067 1 156 . ASP . 15067 1 157 . TRP . 15067 1 158 . SER . 15067 1 159 . LYS . 15067 1 160 . VAL . 15067 1 161 . VAL . 15067 1 162 . LEU . 15067 1 163 . ALA . 15067 1 164 . TYR . 15067 1 165 . GLU . 15067 1 166 . PRO . 15067 1 167 . GLY . 15067 1 168 . GLY . 15067 1 169 . ALA . 15067 1 170 . ILE . 15067 1 171 . GLY . 15067 1 172 . THR . 15067 1 173 . GLY . 15067 1 174 . GLY . 15067 1 175 . GLY . 15067 1 176 . GLY . 15067 1 177 . THR . 15067 1 178 . PRO . 15067 1 179 . GLN . 15067 1 180 . GLN . 15067 1 181 . ALA . 15067 1 182 . GLN . 15067 1 183 . GLU . 15067 1 184 . VAL . 15067 1 185 . HIS . 15067 1 186 . GLU . 15067 1 187 . LYS . 15067 1 188 . LEU . 15067 1 189 . ARG . 15067 1 190 . GLY . 15067 1 191 . TRP . 15067 1 192 . LEU . 15067 1 193 . LYS . 15067 1 194 . SER . 15067 1 195 . HIS . 15067 1 196 . VAL . 15067 1 197 . SER . 15067 1 198 . ASP . 15067 1 199 . ALA . 15067 1 200 . VAL . 15067 1 201 . ALA . 15067 1 202 . GLN . 15067 1 203 . SER . 15067 1 204 . THR . 15067 1 205 . ARG . 15067 1 206 . ILE . 15067 1 207 . ILE . 15067 1 208 . TYR . 15067 1 209 . GLY . 15067 1 210 . GLY . 15067 1 211 . SER . 15067 1 212 . VAL . 15067 1 213 . THR . 15067 1 214 . GLY . 15067 1 215 . GLY . 15067 1 216 . ASN . 15067 1 217 . CYS . 15067 1 218 . LYS . 15067 1 219 . GLU . 15067 1 220 . LEU . 15067 1 221 . ALA . 15067 1 222 . SER . 15067 1 223 . GLN . 15067 1 224 . HIS . 15067 1 225 . ASP . 15067 1 226 . VAL . 15067 1 227 . ASP . 15067 1 228 . GLY . 15067 1 229 . PHE . 15067 1 230 . LEU . 15067 1 231 . VAL . 15067 1 232 . GLY . 15067 1 233 . GLY . 15067 1 234 . ALA . 15067 1 235 . SER . 15067 1 236 . LEU . 15067 1 237 . LYS . 15067 1 238 . PRO . 15067 1 239 . GLU . 15067 1 240 . PHE . 15067 1 241 . VAL . 15067 1 242 . ASP . 15067 1 243 . ILE . 15067 1 244 . ILE . 15067 1 245 . ASN . 15067 1 246 . ALA . 15067 1 247 . LYS . 15067 1 248 . HIS . 15067 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 15067 1 . ALA 2 2 15067 1 . PRO 3 3 15067 1 . ARG 4 4 15067 1 . LYS 5 5 15067 1 . PHE 6 6 15067 1 . PHE 7 7 15067 1 . VAL 8 8 15067 1 . GLY 9 9 15067 1 . GLY 10 10 15067 1 . ASN 11 11 15067 1 . TRP 12 12 15067 1 . LYS 13 13 15067 1 . MET 14 14 15067 1 . ASN 15 15 15067 1 . GLY 16 16 15067 1 . ASP 17 17 15067 1 . LYS 18 18 15067 1 . LYS 19 19 15067 1 . SER 20 20 15067 1 . LEU 21 21 15067 1 . GLY 22 22 15067 1 . GLU 23 23 15067 1 . LEU 24 24 15067 1 . ILE 25 25 15067 1 . HIS 26 26 15067 1 . THR 27 27 15067 1 . LEU 28 28 15067 1 . ASN 29 29 15067 1 . GLY 30 30 15067 1 . ALA 31 31 15067 1 . LYS 32 32 15067 1 . LEU 33 33 15067 1 . SER 34 34 15067 1 . ALA 35 35 15067 1 . ASP 36 36 15067 1 . THR 37 37 15067 1 . GLU 38 38 15067 1 . VAL 39 39 15067 1 . VAL 40 40 15067 1 . CYS 41 41 15067 1 . GLY 42 42 15067 1 . ALA 43 43 15067 1 . PRO 44 44 15067 1 . SER 45 45 15067 1 . ILE 46 46 15067 1 . TYR 47 47 15067 1 . LEU 48 48 15067 1 . ASP 49 49 15067 1 . PHE 50 50 15067 1 . ALA 51 51 15067 1 . ARG 52 52 15067 1 . GLN 53 53 15067 1 . LYS 54 54 15067 1 . LEU 55 55 15067 1 . ASP 56 56 15067 1 . ALA 57 57 15067 1 . LYS 58 58 15067 1 . ILE 59 59 15067 1 . GLY 60 60 15067 1 . VAL 61 61 15067 1 . ALA 62 62 15067 1 . ALA 63 63 15067 1 . GLN 64 64 15067 1 . ASN 65 65 15067 1 . CYS 66 66 15067 1 . TYR 67 67 15067 1 . LYS 68 68 15067 1 . VAL 69 69 15067 1 . PRO 70 70 15067 1 . LYS 71 71 15067 1 . GLY 72 72 15067 1 . ALA 73 73 15067 1 . PHE 74 74 15067 1 . THR 75 75 15067 1 . GLY 76 76 15067 1 . GLU 77 77 15067 1 . ILE 78 78 15067 1 . SER 79 79 15067 1 . PRO 80 80 15067 1 . ALA 81 81 15067 1 . MET 82 82 15067 1 . ILE 83 83 15067 1 . LYS 84 84 15067 1 . ASP 85 85 15067 1 . ILE 86 86 15067 1 . GLY 87 87 15067 1 . ALA 88 88 15067 1 . ALA 89 89 15067 1 . TRP 90 90 15067 1 . VAL 91 91 15067 1 . ILE 92 92 15067 1 . LEU 93 93 15067 1 . GLY 94 94 15067 1 . HIS 95 95 15067 1 . SER 96 96 15067 1 . GLU 97 97 15067 1 . ARG 98 98 15067 1 . ARG 99 99 15067 1 . HIS 100 100 15067 1 . VAL 101 101 15067 1 . PHE 102 102 15067 1 . GLY 103 103 15067 1 . GLU 104 104 15067 1 . SER 105 105 15067 1 . ASP 106 106 15067 1 . GLU 107 107 15067 1 . LEU 108 108 15067 1 . ILE 109 109 15067 1 . GLY 110 110 15067 1 . GLN 111 111 15067 1 . LYS 112 112 15067 1 . VAL 113 113 15067 1 . ALA 114 114 15067 1 . HIS 115 115 15067 1 . ALA 116 116 15067 1 . LEU 117 117 15067 1 . ALA 118 118 15067 1 . GLU 119 119 15067 1 . GLY 120 120 15067 1 . LEU 121 121 15067 1 . GLY 122 122 15067 1 . VAL 123 123 15067 1 . ILE 124 124 15067 1 . ALA 125 125 15067 1 . CYS 126 126 15067 1 . ILE 127 127 15067 1 . GLY 128 128 15067 1 . GLU 129 129 15067 1 . LYS 130 130 15067 1 . LEU 131 131 15067 1 . ASP 132 132 15067 1 . GLU 133 133 15067 1 . ARG 134 134 15067 1 . GLU 135 135 15067 1 . ALA 136 136 15067 1 . GLY 137 137 15067 1 . ILE 138 138 15067 1 . THR 139 139 15067 1 . GLU 140 140 15067 1 . LYS 141 141 15067 1 . VAL 142 142 15067 1 . VAL 143 143 15067 1 . PHE 144 144 15067 1 . GLU 145 145 15067 1 . GLN 146 146 15067 1 . THR 147 147 15067 1 . LYS 148 148 15067 1 . ALA 149 149 15067 1 . ILE 150 150 15067 1 . ALA 151 151 15067 1 . ASP 152 152 15067 1 . ASN 153 153 15067 1 . VAL 154 154 15067 1 . LYS 155 155 15067 1 . ASP 156 156 15067 1 . TRP 157 157 15067 1 . SER 158 158 15067 1 . LYS 159 159 15067 1 . VAL 160 160 15067 1 . VAL 161 161 15067 1 . LEU 162 162 15067 1 . ALA 163 163 15067 1 . TYR 164 164 15067 1 . GLU 165 165 15067 1 . PRO 166 166 15067 1 . GLY 167 167 15067 1 . GLY 168 168 15067 1 . ALA 169 169 15067 1 . ILE 170 170 15067 1 . GLY 171 171 15067 1 . THR 172 172 15067 1 . GLY 173 173 15067 1 . GLY 174 174 15067 1 . GLY 175 175 15067 1 . GLY 176 176 15067 1 . THR 177 177 15067 1 . PRO 178 178 15067 1 . GLN 179 179 15067 1 . GLN 180 180 15067 1 . ALA 181 181 15067 1 . GLN 182 182 15067 1 . GLU 183 183 15067 1 . VAL 184 184 15067 1 . HIS 185 185 15067 1 . GLU 186 186 15067 1 . LYS 187 187 15067 1 . LEU 188 188 15067 1 . ARG 189 189 15067 1 . GLY 190 190 15067 1 . TRP 191 191 15067 1 . LEU 192 192 15067 1 . LYS 193 193 15067 1 . SER 194 194 15067 1 . HIS 195 195 15067 1 . VAL 196 196 15067 1 . SER 197 197 15067 1 . ASP 198 198 15067 1 . ALA 199 199 15067 1 . VAL 200 200 15067 1 . ALA 201 201 15067 1 . GLN 202 202 15067 1 . SER 203 203 15067 1 . THR 204 204 15067 1 . ARG 205 205 15067 1 . ILE 206 206 15067 1 . ILE 207 207 15067 1 . TYR 208 208 15067 1 . GLY 209 209 15067 1 . GLY 210 210 15067 1 . SER 211 211 15067 1 . VAL 212 212 15067 1 . THR 213 213 15067 1 . GLY 214 214 15067 1 . GLY 215 215 15067 1 . ASN 216 216 15067 1 . CYS 217 217 15067 1 . LYS 218 218 15067 1 . GLU 219 219 15067 1 . LEU 220 220 15067 1 . ALA 221 221 15067 1 . SER 222 222 15067 1 . GLN 223 223 15067 1 . HIS 224 224 15067 1 . ASP 225 225 15067 1 . VAL 226 226 15067 1 . ASP 227 227 15067 1 . GLY 228 228 15067 1 . PHE 229 229 15067 1 . LEU 230 230 15067 1 . VAL 231 231 15067 1 . GLY 232 232 15067 1 . GLY 233 233 15067 1 . ALA 234 234 15067 1 . SER 235 235 15067 1 . LEU 236 236 15067 1 . LYS 237 237 15067 1 . PRO 238 238 15067 1 . GLU 239 239 15067 1 . PHE 240 240 15067 1 . VAL 241 241 15067 1 . ASP 242 242 15067 1 . ILE 243 243 15067 1 . ILE 244 244 15067 1 . ASN 245 245 15067 1 . ALA 246 246 15067 1 . LYS 247 247 15067 1 . HIS 248 248 15067 1 stop_ save_ save_PGA _Entity.Sf_category entity _Entity.Sf_framecode PGA _Entity.Entry_ID 15067 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name PGA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID PGA _Entity.Nonpolymer_comp_label $chem_comp_PGA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . PGA . 15067 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15067 _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 $PGG_GGG . 9031 organism . 'Gallus gallus' chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . . . . . . . . . 15067 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 15067 _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 $PGG_GGG . 'recombinant technology' 'Escherichia coli' . . . . . . . . . . . . . . . . . . . . . pET15b/PGG/GGG . . . . . . 15067 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PGA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PGA _Chem_comp.Entry_ID 15067 _Chem_comp.ID PGA _Chem_comp.Provenance . _Chem_comp.Name '2-PHOSPHOGLYCOLIC ACID' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code PGA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces 2PL _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code PGA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C2 H5 O6 P' _Chem_comp.Formula_weight 156.031 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1AMK _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 5 09:10:39 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID ASCFNMCAHFUBCO-UHFFFAOYSA-N InChIKey InChI 1.03 15067 PGA C(C(=O)O)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 15067 PGA C(C(=O)O)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15067 PGA InChI=1S/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7) InChI InChI 1.03 15067 PGA OC(=O)CO[P](O)(O)=O SMILES CACTVS 3.341 15067 PGA OC(=O)CO[P](O)(O)=O SMILES_CANONICAL CACTVS 3.341 15067 PGA O=P(O)(O)OCC(=O)O SMILES ACDLabs 10.04 15067 PGA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '2-phosphonooxyethanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15067 PGA '(phosphonooxy)acetic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 15067 PGA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID P . P . . P . . N 0 . . . . no no . . . . 8.094 . -1.735 . 18.446 . -0.013 0.040 -1.440 1 . 15067 PGA O1P . O1P . . O . . N 0 . . . . no no . . . . 7.931 . -2.097 . 16.886 . 0.621 -0.037 0.037 2 . 15067 PGA O2P . O2P . . O . . N 0 . . . . no no . . . . 8.942 . -0.509 . 18.723 . -0.726 1.327 -1.602 3 . 15067 PGA O3P . O3P . . O . . N 0 . . . . no no . . . . 8.469 . -3.108 . 18.908 . 1.160 -0.064 -2.535 4 . 15067 PGA O4P . O4P . . O . . N 0 . . . . no no . . . . 6.541 . -1.381 . 18.575 . -1.048 -1.175 -1.644 5 . 15067 PGA C2 . C2 . . C . . N 0 . . . . no no . . . . 9.167 . -2.415 . 16.289 . -0.465 0.060 0.960 6 . 15067 PGA C1 . C1 . . C . . N 0 . . . . no no . . . . 8.907 . -2.451 . 14.791 . 0.065 -0.006 2.369 7 . 15067 PGA O1 . O1 . . O . . N 0 . . . . no no . . . . 9.892 . -2.135 . 13.999 . 1.251 -0.126 2.563 8 . 15067 PGA O2 . O2 . . O . . N 0 . . . . no yes . . . . 7.838 . -2.815 . 14.318 . -0.781 0.066 3.408 9 . 15067 PGA HOP3 . HOP3 . . H . . N 0 . . . . no no . . . . 8.565 . -2.894 . 19.828 . 0.738 -0.013 -3.404 10 . 15067 PGA HOP4 . HOP4 . . H . . N 0 . . . . no no . . . . 6.637 . -1.167 . 19.495 . -0.545 -1.993 -1.530 11 . 15067 PGA H21 . H21 . . H . . N 0 . . . . no no . . . . 9.993 . -1.726 . 16.581 . -1.159 -0.763 0.793 12 . 15067 PGA H22 . H22 . . H . . N 0 . . . . no no . . . . 9.625 . -3.351 . 16.684 . -0.983 1.007 0.811 13 . 15067 PGA HO2 . HO2 . . H . . N 0 . . . . no no . . . . 7.675 . -2.837 . 13.382 . -0.440 0.023 4.312 14 . 15067 PGA stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING P O1P no N 1 . 15067 PGA 2 . DOUB P O2P no N 2 . 15067 PGA 3 . SING P O3P no N 3 . 15067 PGA 4 . SING P O4P no N 4 . 15067 PGA 5 . SING O1P C2 no N 5 . 15067 PGA 6 . SING O3P HOP3 no N 6 . 15067 PGA 7 . SING O4P HOP4 no N 7 . 15067 PGA 8 . SING C2 C1 no N 8 . 15067 PGA 9 . SING C2 H21 no N 9 . 15067 PGA 10 . SING C2 H22 no N 10 . 15067 PGA 11 . DOUB C1 O1 no N 11 . 15067 PGA 12 . SING C1 O2 no N 12 . 15067 PGA 13 . SING O2 HO2 no N 13 . 15067 PGA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_2H_15N_sample _Sample.Sf_category sample _Sample.Sf_framecode 2H_15N_sample _Sample.Entry_ID 15067 _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 'triosephosphate isomerase' '[U-99% 15N; U-99%2H]' . . 1 $PGG_GGG . . 0.9 . . mM . . . . 15067 1 2 D2O 'natural abundance' . . . . . . 7.5 . . % . . . . 15067 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15067 1 4 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 15067 1 5 MES [U-2H] . . . . . . 10 . . mM . . . . 15067 1 6 2-phosphoglycolate 'natural abundance' . . 2 $PGA . . 25 . . mM . . . . 15067 1 stop_ save_ save_2H_13C_15N_sample _Sample.Sf_category sample _Sample.Sf_framecode 2H_13C_15N_sample _Sample.Entry_ID 15067 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'triosephosphate isomerase' '[U-99% 13C; U-99% 15N; U-99% 2H]' . . 1 $PGG_GGG . . 0.9 . . mM . . . . 15067 2 2 D2O 'natural abundance' . . . . . . 7.5 . . % . . . . 15067 2 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15067 2 4 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 15067 2 5 MES [U-2H] . . . . . . 10 . . mM . . . . 15067 2 6 2-phosphoglycolate 'natural abundance' . . 2 $PGA . . 25 . . mM . . . . 15067 2 stop_ save_ ####################### # Sample conditions # ####################### save_standard_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode standard_conditions _Sample_condition_list.Entry_ID 15067 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' . . mM 15067 1 pH 6.5 . pH 15067 1 pressure 1 . atm 15067 1 temperature 293 . K 15067 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15067 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15067 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15067 1 stop_ save_ save_PISTACHIO _Software.Sf_category software _Software.Sf_framecode PISTACHIO _Software.Entry_ID 15067 _Software.ID 2 _Software.Name PISTACHIO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Eghbalnia . . 15067 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15067 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15067 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15067 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15067 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15067 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15067 _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 spectrometer_1 Varian INOVA . 600 . . . 15067 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 15067 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' no . . . . . . . . . . 2 $2H_13C_15N_sample isotropic . . 1 $standard_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15067 1 2 '3D HN(CO)CA' no . . . . . . . . . . 2 $2H_13C_15N_sample isotropic . . 1 $standard_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15067 1 3 '3D HN(CA)CO' no . . . . . . . . . . 2 $2H_13C_15N_sample isotropic . . 1 $standard_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15067 1 4 '3D HNCO' no . . . . . . . . . . 2 $2H_13C_15N_sample isotropic . . 1 $standard_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15067 1 5 '1H-15N ssNOE' no . . . . . . . . . . 1 $2H_15N_sample isotropic . . 1 $standard_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15067 1 6 '1H-15N T1' no . . . . . . . . . . 1 $2H_15N_sample isotropic . . 1 $standard_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15067 1 7 '1H-15N T2' no . . . . . . . . . . 1 $2H_15N_sample isotropic . . 1 $standard_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15067 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15067 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.821 internal indirect 0.25144952 . . . 1 $entry_citation . . 1 $entry_citation 15067 1 H 1 water protons . . . . ppm 4.821 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 15067 1 N 15 water protons . . . . ppm 4.821 internal indirect 0.10132905 . . . 1 $entry_citation . . 1 $entry_citation 15067 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15067 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $standard_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 '3D HNCA' . . . 15067 1 2 '3D HN(CO)CA' . . . 15067 1 3 '3D HN(CA)CO' . . . 15067 1 4 '3D HNCO' . . . 15067 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID 'TROSY offset' 'amide protons' . 46 . 15067 1 'TROSY offset' 'amide nitrogens' . 46 . 15067 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 3 3 PRO C C 13 176.59 0.10 . 1 . . . . 3 PRO C . 15067 1 2 . 1 1 3 3 PRO CA C 13 63.12 0.10 . 1 . . . . 3 PRO CA . 15067 1 3 . 1 1 4 4 ARG H H 1 8.404 0.010 . 1 . . . . 4 ARG H . 15067 1 4 . 1 1 4 4 ARG C C 13 175.80 0.10 . 1 . . . . 4 ARG C . 15067 1 5 . 1 1 4 4 ARG CA C 13 56.17 0.10 . 1 . . . . 4 ARG CA . 15067 1 6 . 1 1 4 4 ARG N N 15 121.91 0.10 . 1 . . . . 4 ARG N . 15067 1 7 . 1 1 5 5 LYS H H 1 8.992 0.010 . 1 . . . . 5 LYS H . 15067 1 8 . 1 1 5 5 LYS C C 13 175.28 0.10 . 1 . . . . 5 LYS C . 15067 1 9 . 1 1 5 5 LYS CA C 13 57.46 0.10 . 1 . . . . 5 LYS CA . 15067 1 10 . 1 1 5 5 LYS N N 15 128.31 0.10 . 1 . . . . 5 LYS N . 15067 1 11 . 1 1 6 6 PHE H H 1 8.492 0.010 . 1 . . . . 6 PHE H . 15067 1 12 . 1 1 6 6 PHE C C 13 173.71 0.10 . 1 . . . . 6 PHE C . 15067 1 13 . 1 1 6 6 PHE CA C 13 59.23 0.10 . 1 . . . . 6 PHE CA . 15067 1 14 . 1 1 6 6 PHE N N 15 131.62 0.10 . 1 . . . . 6 PHE N . 15067 1 15 . 1 1 7 7 PHE C C 13 173.73 0.10 . 1 . . . . 7 PHE C . 15067 1 16 . 1 1 7 7 PHE CA C 13 53.09 0.10 . 1 . . . . 7 PHE CA . 15067 1 17 . 1 1 8 8 VAL H H 1 8.668 0.010 . 1 . . . . 8 VAL H . 15067 1 18 . 1 1 8 8 VAL C C 13 173.01 0.10 . 1 . . . . 8 VAL C . 15067 1 19 . 1 1 8 8 VAL CA C 13 61.52 0.10 . 1 . . . . 8 VAL CA . 15067 1 20 . 1 1 8 8 VAL N N 15 127.05 0.10 . 1 . . . . 8 VAL N . 15067 1 21 . 1 1 9 9 GLY H H 1 9.171 0.010 . 1 . . . . 9 GLY H . 15067 1 22 . 1 1 9 9 GLY C C 13 173.15 0.10 . 1 . . . . 9 GLY C . 15067 1 23 . 1 1 9 9 GLY CA C 13 42.87 0.10 . 1 . . . . 9 GLY CA . 15067 1 24 . 1 1 9 9 GLY N N 15 112.32 0.10 . 1 . . . . 9 GLY N . 15067 1 25 . 1 1 10 10 GLY H H 1 9.276 0.010 . 1 . . . . 10 GLY H . 15067 1 26 . 1 1 10 10 GLY C C 13 170.83 0.10 . 1 . . . . 10 GLY C . 15067 1 27 . 1 1 10 10 GLY CA C 13 45.88 0.10 . 1 . . . . 10 GLY CA . 15067 1 28 . 1 1 10 10 GLY N N 15 112.37 0.10 . 1 . . . . 10 GLY N . 15067 1 29 . 1 1 11 11 ASN H H 1 9.331 0.010 . 1 . . . . 11 ASN H . 15067 1 30 . 1 1 11 11 ASN C C 13 173.21 0.10 . 1 . . . . 11 ASN C . 15067 1 31 . 1 1 11 11 ASN CA C 13 50.99 0.10 . 1 . . . . 11 ASN CA . 15067 1 32 . 1 1 11 11 ASN N N 15 124.32 0.10 . 1 . . . . 11 ASN N . 15067 1 33 . 1 1 12 12 TRP H H 1 7.722 0.010 . 1 . . . . 12 TRP H . 15067 1 34 . 1 1 12 12 TRP C C 13 174.56 0.10 . 1 . . . . 12 TRP C . 15067 1 35 . 1 1 12 12 TRP CA C 13 56.53 0.10 . 1 . . . . 12 TRP CA . 15067 1 36 . 1 1 12 12 TRP N N 15 124.86 0.10 . 1 . . . . 12 TRP N . 15067 1 37 . 1 1 13 13 LYS H H 1 7.966 0.010 . 1 . . . . 13 LYS H . 15067 1 38 . 1 1 13 13 LYS C C 13 174.23 0.10 . 1 . . . . 13 LYS C . 15067 1 39 . 1 1 13 13 LYS CA C 13 57.71 0.10 . 1 . . . . 13 LYS CA . 15067 1 40 . 1 1 13 13 LYS N N 15 114.92 0.10 . 1 . . . . 13 LYS N . 15067 1 41 . 1 1 14 14 MET H H 1 7.462 0.010 . 1 . . . . 14 MET H . 15067 1 42 . 1 1 14 14 MET C C 13 173.13 0.10 . 1 . . . . 14 MET C . 15067 1 43 . 1 1 14 14 MET CA C 13 53.83 0.10 . 1 . . . . 14 MET CA . 15067 1 44 . 1 1 14 14 MET N N 15 124.73 0.10 . 1 . . . . 14 MET N . 15067 1 45 . 1 1 15 15 ASN H H 1 7.160 0.010 . 1 . . . . 15 ASN H . 15067 1 46 . 1 1 15 15 ASN C C 13 172.08 0.10 . 1 . . . . 15 ASN C . 15067 1 47 . 1 1 15 15 ASN CA C 13 53.00 0.10 . 1 . . . . 15 ASN CA . 15067 1 48 . 1 1 15 15 ASN N N 15 118.62 0.10 . 1 . . . . 15 ASN N . 15067 1 49 . 1 1 16 16 GLY H H 1 8.198 0.010 . 1 . . . . 16 GLY H . 15067 1 50 . 1 1 16 16 GLY C C 13 171.40 0.10 . 1 . . . . 16 GLY C . 15067 1 51 . 1 1 16 16 GLY CA C 13 43.57 0.10 . 1 . . . . 16 GLY CA . 15067 1 52 . 1 1 16 16 GLY N N 15 104.38 0.10 . 1 . . . . 16 GLY N . 15067 1 53 . 1 1 17 17 ASP H H 1 7.009 0.010 . 1 . . . . 17 ASP H . 15067 1 54 . 1 1 17 17 ASP C C 13 175.33 0.10 . 1 . . . . 17 ASP C . 15067 1 55 . 1 1 17 17 ASP CA C 13 51.46 0.10 . 1 . . . . 17 ASP CA . 15067 1 56 . 1 1 17 17 ASP N N 15 114.34 0.10 . 1 . . . . 17 ASP N . 15067 1 57 . 1 1 18 18 LYS H H 1 9.586 0.010 . 1 . . . . 18 LYS H . 15067 1 58 . 1 1 18 18 LYS C C 13 180.07 0.10 . 1 . . . . 18 LYS C . 15067 1 59 . 1 1 18 18 LYS CA C 13 61.96 0.10 . 1 . . . . 18 LYS CA . 15067 1 60 . 1 1 18 18 LYS N N 15 120.73 0.10 . 1 . . . . 18 LYS N . 15067 1 61 . 1 1 19 19 LYS H H 1 8.381 0.010 . 1 . . . . 19 LYS H . 15067 1 62 . 1 1 19 19 LYS C C 13 179.32 0.10 . 1 . . . . 19 LYS C . 15067 1 63 . 1 1 19 19 LYS CA C 13 59.86 0.10 . 1 . . . . 19 LYS CA . 15067 1 64 . 1 1 19 19 LYS N N 15 120.86 0.10 . 1 . . . . 19 LYS N . 15067 1 65 . 1 1 20 20 SER H H 1 8.969 0.010 . 1 . . . . 20 SER H . 15067 1 66 . 1 1 20 20 SER C C 13 178.92 0.10 . 1 . . . . 20 SER C . 15067 1 67 . 1 1 20 20 SER CA C 13 61.59 0.10 . 1 . . . . 20 SER CA . 15067 1 68 . 1 1 20 20 SER N N 15 118.48 0.10 . 1 . . . . 20 SER N . 15067 1 69 . 1 1 21 21 LEU H H 1 9.152 0.010 . 1 . . . . 21 LEU H . 15067 1 70 . 1 1 21 21 LEU C C 13 178.65 0.10 . 1 . . . . 21 LEU C . 15067 1 71 . 1 1 21 21 LEU CA C 13 57.32 0.10 . 1 . . . . 21 LEU CA . 15067 1 72 . 1 1 21 21 LEU N N 15 125.03 0.10 . 1 . . . . 21 LEU N . 15067 1 73 . 1 1 22 22 GLY H H 1 8.286 0.010 . 1 . . . . 22 GLY H . 15067 1 74 . 1 1 22 22 GLY C C 13 176.27 0.10 . 1 . . . . 22 GLY C . 15067 1 75 . 1 1 22 22 GLY CA C 13 47.41 0.10 . 1 . . . . 22 GLY CA . 15067 1 76 . 1 1 22 22 GLY N N 15 108.22 0.10 . 1 . . . . 22 GLY N . 15067 1 77 . 1 1 23 23 GLU H H 1 7.540 0.010 . 1 . . . . 23 GLU H . 15067 1 78 . 1 1 23 23 GLU C C 13 178.57 0.10 . 1 . . . . 23 GLU C . 15067 1 79 . 1 1 23 23 GLU CA C 13 59.52 0.10 . 1 . . . . 23 GLU CA . 15067 1 80 . 1 1 23 23 GLU N N 15 122.24 0.10 . 1 . . . . 23 GLU N . 15067 1 81 . 1 1 24 24 LEU H H 1 7.500 0.010 . 1 . . . . 24 LEU H . 15067 1 82 . 1 1 24 24 LEU C C 13 179.17 0.10 . 1 . . . . 24 LEU C . 15067 1 83 . 1 1 24 24 LEU CA C 13 58.21 0.10 . 1 . . . . 24 LEU CA . 15067 1 84 . 1 1 24 24 LEU N N 15 123.42 0.10 . 1 . . . . 24 LEU N . 15067 1 85 . 1 1 25 25 ILE C C 13 176.82 0.10 . 1 . . . . 25 ILE C . 15067 1 86 . 1 1 25 25 ILE CA C 13 65.97 0.10 . 1 . . . . 25 ILE CA . 15067 1 87 . 1 1 26 26 HIS H H 1 8.123 0.010 . 1 . . . . 26 HIS H . 15067 1 88 . 1 1 26 26 HIS C C 13 179.03 0.10 . 1 . . . . 26 HIS C . 15067 1 89 . 1 1 26 26 HIS CA C 13 60.38 0.10 . 1 . . . . 26 HIS CA . 15067 1 90 . 1 1 26 26 HIS N N 15 119.29 0.10 . 1 . . . . 26 HIS N . 15067 1 91 . 1 1 27 27 THR H H 1 8.013 0.010 . 1 . . . . 27 THR H . 15067 1 92 . 1 1 27 27 THR C C 13 176.69 0.10 . 1 . . . . 27 THR C . 15067 1 93 . 1 1 27 27 THR CA C 13 66.75 0.10 . 1 . . . . 27 THR CA . 15067 1 94 . 1 1 27 27 THR N N 15 117.74 0.10 . 1 . . . . 27 THR N . 15067 1 95 . 1 1 28 28 LEU H H 1 8.223 0.010 . 1 . . . . 28 LEU H . 15067 1 96 . 1 1 28 28 LEU C C 13 178.40 0.10 . 1 . . . . 28 LEU C . 15067 1 97 . 1 1 28 28 LEU CA C 13 58.41 0.10 . 1 . . . . 28 LEU CA . 15067 1 98 . 1 1 28 28 LEU N N 15 122.59 0.10 . 1 . . . . 28 LEU N . 15067 1 99 . 1 1 29 29 ASN H H 1 8.819 0.010 . 1 . . . . 29 ASN H . 15067 1 100 . 1 1 29 29 ASN C C 13 177.97 0.10 . 1 . . . . 29 ASN C . 15067 1 101 . 1 1 29 29 ASN CA C 13 54.98 0.10 . 1 . . . . 29 ASN CA . 15067 1 102 . 1 1 29 29 ASN N N 15 117.18 0.10 . 1 . . . . 29 ASN N . 15067 1 103 . 1 1 30 30 GLY H H 1 7.399 0.010 . 1 . . . . 30 GLY H . 15067 1 104 . 1 1 30 30 GLY C C 13 173.79 0.10 . 1 . . . . 30 GLY C . 15067 1 105 . 1 1 30 30 GLY CA C 13 44.89 0.10 . 1 . . . . 30 GLY CA . 15067 1 106 . 1 1 30 30 GLY N N 15 104.83 0.10 . 1 . . . . 30 GLY N . 15067 1 107 . 1 1 31 31 ALA H H 1 7.152 0.010 . 1 . . . . 31 ALA H . 15067 1 108 . 1 1 31 31 ALA C C 13 176.68 0.10 . 1 . . . . 31 ALA C . 15067 1 109 . 1 1 31 31 ALA CA C 13 51.80 0.10 . 1 . . . . 31 ALA CA . 15067 1 110 . 1 1 31 31 ALA N N 15 124.18 0.10 . 1 . . . . 31 ALA N . 15067 1 111 . 1 1 32 32 LYS H H 1 8.495 0.010 . 1 . . . . 32 LYS H . 15067 1 112 . 1 1 32 32 LYS C C 13 175.16 0.10 . 1 . . . . 32 LYS C . 15067 1 113 . 1 1 32 32 LYS CA C 13 55.50 0.10 . 1 . . . . 32 LYS CA . 15067 1 114 . 1 1 32 32 LYS N N 15 122.22 0.10 . 1 . . . . 32 LYS N . 15067 1 115 . 1 1 33 33 LEU H H 1 8.195 0.010 . 1 . . . . 33 LEU H . 15067 1 116 . 1 1 33 33 LEU C C 13 177.33 0.10 . 1 . . . . 33 LEU C . 15067 1 117 . 1 1 33 33 LEU CA C 13 53.49 0.10 . 1 . . . . 33 LEU CA . 15067 1 118 . 1 1 33 33 LEU N N 15 125.92 0.10 . 1 . . . . 33 LEU N . 15067 1 119 . 1 1 34 34 SER H H 1 8.701 0.010 . 1 . . . . 34 SER H . 15067 1 120 . 1 1 34 34 SER C C 13 176.12 0.10 . 1 . . . . 34 SER C . 15067 1 121 . 1 1 34 34 SER CA C 13 58.83 0.10 . 1 . . . . 34 SER CA . 15067 1 122 . 1 1 34 34 SER N N 15 118.76 0.10 . 1 . . . . 34 SER N . 15067 1 123 . 1 1 35 35 ALA H H 1 8.818 0.010 . 1 . . . . 35 ALA H . 15067 1 124 . 1 1 35 35 ALA C C 13 177.77 0.10 . 1 . . . . 35 ALA C . 15067 1 125 . 1 1 35 35 ALA CA C 13 53.95 0.10 . 1 . . . . 35 ALA CA . 15067 1 126 . 1 1 35 35 ALA N N 15 129.96 0.10 . 1 . . . . 35 ALA N . 15067 1 127 . 1 1 36 36 ASP H H 1 8.022 0.010 . 1 . . . . 36 ASP H . 15067 1 128 . 1 1 36 36 ASP C C 13 174.66 0.10 . 1 . . . . 36 ASP C . 15067 1 129 . 1 1 36 36 ASP CA C 13 54.05 0.10 . 1 . . . . 36 ASP CA . 15067 1 130 . 1 1 36 36 ASP N N 15 115.21 0.10 . 1 . . . . 36 ASP N . 15067 1 131 . 1 1 37 37 THR H H 1 7.255 0.010 . 1 . . . . 37 THR H . 15067 1 132 . 1 1 37 37 THR C C 13 172.88 0.10 . 1 . . . . 37 THR C . 15067 1 133 . 1 1 37 37 THR CA C 13 61.81 0.10 . 1 . . . . 37 THR CA . 15067 1 134 . 1 1 37 37 THR N N 15 115.58 0.10 . 1 . . . . 37 THR N . 15067 1 135 . 1 1 38 38 GLU H H 1 9.509 0.010 . 1 . . . . 38 GLU H . 15067 1 136 . 1 1 38 38 GLU C C 13 172.57 0.10 . 1 . . . . 38 GLU C . 15067 1 137 . 1 1 38 38 GLU CA C 13 55.78 0.10 . 1 . . . . 38 GLU CA . 15067 1 138 . 1 1 38 38 GLU N N 15 132.68 0.10 . 1 . . . . 38 GLU N . 15067 1 139 . 1 1 39 39 VAL H H 1 8.635 0.010 . 1 . . . . 39 VAL H . 15067 1 140 . 1 1 39 39 VAL C C 13 175.94 0.10 . 1 . . . . 39 VAL C . 15067 1 141 . 1 1 39 39 VAL CA C 13 60.84 0.10 . 1 . . . . 39 VAL CA . 15067 1 142 . 1 1 39 39 VAL N N 15 126.67 0.10 . 1 . . . . 39 VAL N . 15067 1 143 . 1 1 41 41 CYS C C 13 173.03 0.10 . 1 . . . . 41 CYS C . 15067 1 144 . 1 1 41 41 CYS CA C 13 58.88 0.10 . 1 . . . . 41 CYS CA . 15067 1 145 . 1 1 42 42 GLY H H 1 9.250 0.010 . 1 . . . . 42 GLY H . 15067 1 146 . 1 1 42 42 GLY C C 13 172.39 0.10 . 1 . . . . 42 GLY C . 15067 1 147 . 1 1 42 42 GLY CA C 13 45.65 0.10 . 1 . . . . 42 GLY CA . 15067 1 148 . 1 1 42 42 GLY N N 15 112.69 0.10 . 1 . . . . 42 GLY N . 15067 1 149 . 1 1 43 43 ALA H H 1 7.186 0.010 . 1 . . . . 43 ALA H . 15067 1 150 . 1 1 43 43 ALA C C 13 173.54 0.10 . 1 . . . . 43 ALA C . 15067 1 151 . 1 1 43 43 ALA CA C 13 49.95 0.10 . 1 . . . . 43 ALA CA . 15067 1 152 . 1 1 43 43 ALA N N 15 128.97 0.10 . 1 . . . . 43 ALA N . 15067 1 153 . 1 1 45 45 SER C C 13 176.04 0.10 . 1 . . . . 45 SER C . 15067 1 154 . 1 1 45 45 SER CA C 13 61.24 0.10 . 1 . . . . 45 SER CA . 15067 1 155 . 1 1 46 46 ILE H H 1 5.973 0.010 . 1 . . . . 46 ILE H . 15067 1 156 . 1 1 46 46 ILE C C 13 174.04 0.10 . 1 . . . . 46 ILE C . 15067 1 157 . 1 1 46 46 ILE CA C 13 61.46 0.10 . 1 . . . . 46 ILE CA . 15067 1 158 . 1 1 46 46 ILE N N 15 118.86 0.10 . 1 . . . . 46 ILE N . 15067 1 159 . 1 1 47 47 TYR H H 1 7.771 0.010 . 1 . . . . 47 TYR H . 15067 1 160 . 1 1 47 47 TYR C C 13 174.47 0.10 . 1 . . . . 47 TYR C . 15067 1 161 . 1 1 47 47 TYR CA C 13 56.85 0.10 . 1 . . . . 47 TYR CA . 15067 1 162 . 1 1 47 47 TYR N N 15 118.34 0.10 . 1 . . . . 47 TYR N . 15067 1 163 . 1 1 48 48 LEU H H 1 7.195 0.010 . 1 . . . . 48 LEU H . 15067 1 164 . 1 1 48 48 LEU C C 13 176.60 0.10 . 1 . . . . 48 LEU C . 15067 1 165 . 1 1 48 48 LEU CA C 13 59.58 0.10 . 1 . . . . 48 LEU CA . 15067 1 166 . 1 1 48 48 LEU N N 15 123.63 0.10 . 1 . . . . 48 LEU N . 15067 1 167 . 1 1 49 49 ASP H H 1 9.170 0.010 . 1 . . . . 49 ASP H . 15067 1 168 . 1 1 49 49 ASP C C 13 177.02 0.10 . 1 . . . . 49 ASP C . 15067 1 169 . 1 1 49 49 ASP CA C 13 57.43 0.10 . 1 . . . . 49 ASP CA . 15067 1 170 . 1 1 49 49 ASP N N 15 119.30 0.10 . 1 . . . . 49 ASP N . 15067 1 171 . 1 1 50 50 PHE H H 1 8.680 0.010 . 1 . . . . 50 PHE H . 15067 1 172 . 1 1 50 50 PHE C C 13 176.15 0.10 . 1 . . . . 50 PHE C . 15067 1 173 . 1 1 50 50 PHE CA C 13 61.40 0.10 . 1 . . . . 50 PHE CA . 15067 1 174 . 1 1 50 50 PHE N N 15 120.11 0.10 . 1 . . . . 50 PHE N . 15067 1 175 . 1 1 51 51 ALA H H 1 9.150 0.010 . 1 . . . . 51 ALA H . 15067 1 176 . 1 1 51 51 ALA C C 13 178.84 0.10 . 1 . . . . 51 ALA C . 15067 1 177 . 1 1 51 51 ALA CA C 13 55.12 0.10 . 1 . . . . 51 ALA CA . 15067 1 178 . 1 1 51 51 ALA N N 15 118.83 0.10 . 1 . . . . 51 ALA N . 15067 1 179 . 1 1 52 52 ARG H H 1 8.567 0.010 . 1 . . . . 52 ARG H . 15067 1 180 . 1 1 52 52 ARG C C 13 179.13 0.10 . 1 . . . . 52 ARG C . 15067 1 181 . 1 1 52 52 ARG CA C 13 57.23 0.10 . 1 . . . . 52 ARG CA . 15067 1 182 . 1 1 52 52 ARG N N 15 117.75 0.10 . 1 . . . . 52 ARG N . 15067 1 183 . 1 1 53 53 GLN H H 1 8.521 0.010 . 1 . . . . 53 GLN H . 15067 1 184 . 1 1 53 53 GLN C C 13 178.42 0.10 . 1 . . . . 53 GLN C . 15067 1 185 . 1 1 53 53 GLN CA C 13 58.94 0.10 . 1 . . . . 53 GLN CA . 15067 1 186 . 1 1 53 53 GLN N N 15 118.74 0.10 . 1 . . . . 53 GLN N . 15067 1 187 . 1 1 54 54 LYS H H 1 7.607 0.010 . 1 . . . . 54 LYS H . 15067 1 188 . 1 1 54 54 LYS C C 13 178.54 0.10 . 1 . . . . 54 LYS C . 15067 1 189 . 1 1 54 54 LYS CA C 13 56.08 0.10 . 1 . . . . 54 LYS CA . 15067 1 190 . 1 1 54 54 LYS N N 15 115.75 0.10 . 1 . . . . 54 LYS N . 15067 1 191 . 1 1 55 55 LEU H H 1 8.417 0.010 . 1 . . . . 55 LEU H . 15067 1 192 . 1 1 55 55 LEU C C 13 177.01 0.10 . 1 . . . . 55 LEU C . 15067 1 193 . 1 1 55 55 LEU CA C 13 55.95 0.10 . 1 . . . . 55 LEU CA . 15067 1 194 . 1 1 55 55 LEU N N 15 123.36 0.10 . 1 . . . . 55 LEU N . 15067 1 195 . 1 1 56 56 ASP H H 1 8.977 0.010 . 1 . . . . 56 ASP H . 15067 1 196 . 1 1 56 56 ASP C C 13 176.87 0.10 . 1 . . . . 56 ASP C . 15067 1 197 . 1 1 56 56 ASP CA C 13 55.23 0.10 . 1 . . . . 56 ASP CA . 15067 1 198 . 1 1 56 56 ASP N N 15 124.65 0.10 . 1 . . . . 56 ASP N . 15067 1 199 . 1 1 57 57 ALA H H 1 8.516 0.010 . 1 . . . . 57 ALA H . 15067 1 200 . 1 1 57 57 ALA C C 13 178.34 0.10 . 1 . . . . 57 ALA C . 15067 1 201 . 1 1 57 57 ALA CA C 13 55.17 0.10 . 1 . . . . 57 ALA CA . 15067 1 202 . 1 1 57 57 ALA N N 15 127.75 0.10 . 1 . . . . 57 ALA N . 15067 1 203 . 1 1 58 58 LYS H H 1 8.922 0.010 . 1 . . . . 58 LYS H . 15067 1 204 . 1 1 58 58 LYS C C 13 176.06 0.10 . 1 . . . . 58 LYS C . 15067 1 205 . 1 1 58 58 LYS CA C 13 58.07 0.10 . 1 . . . . 58 LYS CA . 15067 1 206 . 1 1 58 58 LYS N N 15 116.72 0.10 . 1 . . . . 58 LYS N . 15067 1 207 . 1 1 59 59 ILE H H 1 8.377 0.010 . 1 . . . . 59 ILE H . 15067 1 208 . 1 1 59 59 ILE C C 13 175.53 0.10 . 1 . . . . 59 ILE C . 15067 1 209 . 1 1 59 59 ILE CA C 13 61.08 0.10 . 1 . . . . 59 ILE CA . 15067 1 210 . 1 1 59 59 ILE N N 15 123.39 0.10 . 1 . . . . 59 ILE N . 15067 1 211 . 1 1 60 60 GLY H H 1 8.885 0.010 . 1 . . . . 60 GLY H . 15067 1 212 . 1 1 60 60 GLY C C 13 171.79 0.10 . 1 . . . . 60 GLY C . 15067 1 213 . 1 1 60 60 GLY CA C 13 45.30 0.10 . 1 . . . . 60 GLY CA . 15067 1 214 . 1 1 60 60 GLY N N 15 114.20 0.10 . 1 . . . . 60 GLY N . 15067 1 215 . 1 1 61 61 VAL H H 1 8.523 0.010 . 1 . . . . 61 VAL H . 15067 1 216 . 1 1 61 61 VAL C C 13 173.13 0.10 . 1 . . . . 61 VAL C . 15067 1 217 . 1 1 61 61 VAL CA C 13 61.43 0.10 . 1 . . . . 61 VAL CA . 15067 1 218 . 1 1 61 61 VAL N N 15 120.27 0.10 . 1 . . . . 61 VAL N . 15067 1 219 . 1 1 62 62 ALA H H 1 8.638 0.010 . 1 . . . . 62 ALA H . 15067 1 220 . 1 1 62 62 ALA C C 13 174.18 0.10 . 1 . . . . 62 ALA C . 15067 1 221 . 1 1 62 62 ALA CA C 13 48.06 0.10 . 1 . . . . 62 ALA CA . 15067 1 222 . 1 1 62 62 ALA N N 15 127.07 0.10 . 1 . . . . 62 ALA N . 15067 1 223 . 1 1 63 63 ALA H H 1 8.108 0.010 . 1 . . . . 63 ALA H . 15067 1 224 . 1 1 63 63 ALA C C 13 177.80 0.10 . 1 . . . . 63 ALA C . 15067 1 225 . 1 1 63 63 ALA CA C 13 50.52 0.10 . 1 . . . . 63 ALA CA . 15067 1 226 . 1 1 63 63 ALA N N 15 120.07 0.10 . 1 . . . . 63 ALA N . 15067 1 227 . 1 1 64 64 GLN H H 1 10.11 0.010 . 1 . . . . 64 GLN H . 15067 1 228 . 1 1 64 64 GLN C C 13 172.26 0.10 . 1 . . . . 64 GLN C . 15067 1 229 . 1 1 64 64 GLN CA C 13 56.66 0.10 . 1 . . . . 64 GLN CA . 15067 1 230 . 1 1 64 64 GLN N N 15 120.00 0.10 . 1 . . . . 64 GLN N . 15067 1 231 . 1 1 65 65 ASN H H 1 6.962 0.010 . 1 . . . . 65 ASN H . 15067 1 232 . 1 1 65 65 ASN C C 13 173.22 0.10 . 1 . . . . 65 ASN C . 15067 1 233 . 1 1 65 65 ASN CA C 13 52.66 0.10 . 1 . . . . 65 ASN CA . 15067 1 234 . 1 1 65 65 ASN N N 15 105.82 0.10 . 1 . . . . 65 ASN N . 15067 1 235 . 1 1 66 66 CYS H H 1 7.556 0.010 . 1 . . . . 66 CYS H . 15067 1 236 . 1 1 66 66 CYS C C 13 171.53 0.10 . 1 . . . . 66 CYS C . 15067 1 237 . 1 1 66 66 CYS CA C 13 57.68 0.10 . 1 . . . . 66 CYS CA . 15067 1 238 . 1 1 66 66 CYS N N 15 113.65 0.10 . 1 . . . . 66 CYS N . 15067 1 239 . 1 1 67 67 TYR H H 1 8.880 0.010 . 1 . . . . 67 TYR H . 15067 1 240 . 1 1 67 67 TYR C C 13 175.24 0.10 . 1 . . . . 67 TYR C . 15067 1 241 . 1 1 67 67 TYR CA C 13 57.44 0.10 . 1 . . . . 67 TYR CA . 15067 1 242 . 1 1 67 67 TYR N N 15 117.11 0.10 . 1 . . . . 67 TYR N . 15067 1 243 . 1 1 70 70 PRO C C 13 178.73 0.10 . 1 . . . . 70 PRO C . 15067 1 244 . 1 1 70 70 PRO CA C 13 65.57 0.10 . 1 . . . . 70 PRO CA . 15067 1 245 . 1 1 71 71 LYS H H 1 7.259 0.010 . 1 . . . . 71 LYS H . 15067 1 246 . 1 1 71 71 LYS C C 13 174.39 0.10 . 1 . . . . 71 LYS C . 15067 1 247 . 1 1 71 71 LYS CA C 13 54.23 0.10 . 1 . . . . 71 LYS CA . 15067 1 248 . 1 1 71 71 LYS N N 15 110.97 0.10 . 1 . . . . 71 LYS N . 15067 1 249 . 1 1 72 72 GLY H H 1 8.310 0.010 . 1 . . . . 72 GLY H . 15067 1 250 . 1 1 72 72 GLY C C 13 172.84 0.10 . 1 . . . . 72 GLY C . 15067 1 251 . 1 1 72 72 GLY CA C 13 44.68 0.10 . 1 . . . . 72 GLY CA . 15067 1 252 . 1 1 72 72 GLY N N 15 105.39 0.10 . 1 . . . . 72 GLY N . 15067 1 253 . 1 1 73 73 ALA H H 1 8.289 0.010 . 1 . . . . 73 ALA H . 15067 1 254 . 1 1 73 73 ALA C C 13 173.22 0.10 . 1 . . . . 73 ALA C . 15067 1 255 . 1 1 73 73 ALA CA C 13 51.02 0.10 . 1 . . . . 73 ALA CA . 15067 1 256 . 1 1 73 73 ALA N N 15 128.49 0.10 . 1 . . . . 73 ALA N . 15067 1 257 . 1 1 74 74 PHE H H 1 7.196 0.010 . 1 . . . . 74 PHE H . 15067 1 258 . 1 1 74 74 PHE C C 13 173.77 0.10 . 1 . . . . 74 PHE C . 15067 1 259 . 1 1 74 74 PHE CA C 13 55.11 0.10 . 1 . . . . 74 PHE CA . 15067 1 260 . 1 1 74 74 PHE N N 15 119.86 0.10 . 1 . . . . 74 PHE N . 15067 1 261 . 1 1 75 75 THR H H 1 9.177 0.010 . 1 . . . . 75 THR H . 15067 1 262 . 1 1 75 75 THR C C 13 174.70 0.10 . 1 . . . . 75 THR C . 15067 1 263 . 1 1 75 75 THR CA C 13 67.70 0.10 . 1 . . . . 75 THR CA . 15067 1 264 . 1 1 75 75 THR N N 15 120.57 0.10 . 1 . . . . 75 THR N . 15067 1 265 . 1 1 76 76 GLY H H 1 9.022 0.010 . 1 . . . . 76 GLY H . 15067 1 266 . 1 1 76 76 GLY C C 13 174.44 0.10 . 1 . . . . 76 GLY C . 15067 1 267 . 1 1 76 76 GLY CA C 13 45.36 0.10 . 1 . . . . 76 GLY CA . 15067 1 268 . 1 1 76 76 GLY N N 15 111.78 0.10 . 1 . . . . 76 GLY N . 15067 1 269 . 1 1 77 77 GLU H H 1 8.022 0.010 . 1 . . . . 77 GLU H . 15067 1 270 . 1 1 77 77 GLU C C 13 175.78 0.10 . 1 . . . . 77 GLU C . 15067 1 271 . 1 1 77 77 GLU CA C 13 55.07 0.10 . 1 . . . . 77 GLU CA . 15067 1 272 . 1 1 77 77 GLU N N 15 122.34 0.10 . 1 . . . . 77 GLU N . 15067 1 273 . 1 1 78 78 ILE H H 1 8.826 0.010 . 1 . . . . 78 ILE H . 15067 1 274 . 1 1 78 78 ILE C C 13 173.75 0.10 . 1 . . . . 78 ILE C . 15067 1 275 . 1 1 78 78 ILE CA C 13 59.77 0.10 . 1 . . . . 78 ILE CA . 15067 1 276 . 1 1 78 78 ILE N N 15 112.69 0.10 . 1 . . . . 78 ILE N . 15067 1 277 . 1 1 79 79 SER H H 1 7.629 0.010 . 1 . . . . 79 SER H . 15067 1 278 . 1 1 79 79 SER C C 13 174.20 0.10 . 1 . . . . 79 SER C . 15067 1 279 . 1 1 79 79 SER CA C 13 54.73 0.10 . 1 . . . . 79 SER CA . 15067 1 280 . 1 1 79 79 SER N N 15 115.06 0.10 . 1 . . . . 79 SER N . 15067 1 281 . 1 1 80 80 PRO C C 13 176.46 0.10 . 1 . . . . 80 PRO C . 15067 1 282 . 1 1 80 80 PRO CA C 13 66.44 0.10 . 1 . . . . 80 PRO CA . 15067 1 283 . 1 1 81 81 ALA H H 1 8.953 0.010 . 1 . . . . 81 ALA H . 15067 1 284 . 1 1 81 81 ALA C C 13 180.52 0.10 . 1 . . . . 81 ALA C . 15067 1 285 . 1 1 81 81 ALA CA C 13 55.66 0.10 . 1 . . . . 81 ALA CA . 15067 1 286 . 1 1 81 81 ALA N N 15 119.95 0.10 . 1 . . . . 81 ALA N . 15067 1 287 . 1 1 82 82 MET H H 1 7.511 0.010 . 1 . . . . 82 MET H . 15067 1 288 . 1 1 82 82 MET C C 13 176.87 0.10 . 1 . . . . 82 MET C . 15067 1 289 . 1 1 82 82 MET CA C 13 58.61 0.10 . 1 . . . . 82 MET CA . 15067 1 290 . 1 1 82 82 MET N N 15 119.29 0.10 . 1 . . . . 82 MET N . 15067 1 291 . 1 1 83 83 ILE C C 13 177.62 0.10 . 1 . . . . 83 ILE C . 15067 1 292 . 1 1 83 83 ILE CA C 13 65.84 0.10 . 1 . . . . 83 ILE CA . 15067 1 293 . 1 1 84 84 LYS H H 1 8.543 0.010 . 1 . . . . 84 LYS H . 15067 1 294 . 1 1 84 84 LYS C C 13 180.69 0.10 . 1 . . . . 84 LYS C . 15067 1 295 . 1 1 84 84 LYS CA C 13 59.11 0.10 . 1 . . . . 84 LYS CA . 15067 1 296 . 1 1 84 84 LYS N N 15 118.13 0.10 . 1 . . . . 84 LYS N . 15067 1 297 . 1 1 85 85 ASP H H 1 7.726 0.010 . 1 . . . . 85 ASP H . 15067 1 298 . 1 1 85 85 ASP C C 13 177.25 0.10 . 1 . . . . 85 ASP C . 15067 1 299 . 1 1 85 85 ASP CA C 13 57.37 0.10 . 1 . . . . 85 ASP CA . 15067 1 300 . 1 1 85 85 ASP N N 15 121.81 0.10 . 1 . . . . 85 ASP N . 15067 1 301 . 1 1 86 86 ILE C C 13 175.83 0.10 . 1 . . . . 86 ILE C . 15067 1 302 . 1 1 86 86 ILE CA C 13 59.55 0.10 . 1 . . . . 86 ILE CA . 15067 1 303 . 1 1 87 87 GLY H H 1 7.820 0.010 . 1 . . . . 87 GLY H . 15067 1 304 . 1 1 87 87 GLY C C 13 175.28 0.10 . 1 . . . . 87 GLY C . 15067 1 305 . 1 1 87 87 GLY CA C 13 45.02 0.10 . 1 . . . . 87 GLY CA . 15067 1 306 . 1 1 87 87 GLY N N 15 106.38 0.10 . 1 . . . . 87 GLY N . 15067 1 307 . 1 1 88 88 ALA H H 1 7.616 0.010 . 1 . . . . 88 ALA H . 15067 1 308 . 1 1 88 88 ALA C C 13 175.30 0.10 . 1 . . . . 88 ALA C . 15067 1 309 . 1 1 88 88 ALA CA C 13 52.54 0.10 . 1 . . . . 88 ALA CA . 15067 1 310 . 1 1 88 88 ALA N N 15 125.24 0.10 . 1 . . . . 88 ALA N . 15067 1 311 . 1 1 89 89 ALA H H 1 7.735 0.010 . 1 . . . . 89 ALA H . 15067 1 312 . 1 1 89 89 ALA C C 13 176.13 0.10 . 1 . . . . 89 ALA C . 15067 1 313 . 1 1 89 89 ALA CA C 13 52.04 0.10 . 1 . . . . 89 ALA CA . 15067 1 314 . 1 1 89 89 ALA N N 15 121.14 0.10 . 1 . . . . 89 ALA N . 15067 1 315 . 1 1 90 90 TRP H H 1 7.675 0.010 . 1 . . . . 90 TRP H . 15067 1 316 . 1 1 90 90 TRP C C 13 175.05 0.10 . 1 . . . . 90 TRP C . 15067 1 317 . 1 1 90 90 TRP CA C 13 55.45 0.10 . 1 . . . . 90 TRP CA . 15067 1 318 . 1 1 90 90 TRP N N 15 117.93 0.10 . 1 . . . . 90 TRP N . 15067 1 319 . 1 1 93 93 LEU C C 13 176.35 0.10 . 1 . . . . 93 LEU C . 15067 1 320 . 1 1 93 93 LEU CA C 13 52.87 0.10 . 1 . . . . 93 LEU CA . 15067 1 321 . 1 1 94 94 GLY H H 1 9.190 0.010 . 1 . . . . 94 GLY H . 15067 1 322 . 1 1 94 94 GLY CA C 13 45.85 0.10 . 1 . . . . 94 GLY CA . 15067 1 323 . 1 1 94 94 GLY N N 15 107.06 0.10 . 1 . . . . 94 GLY N . 15067 1 324 . 1 1 95 95 HIS H H 1 7.501 0.010 . 1 . . . . 95 HIS H . 15067 1 325 . 1 1 95 95 HIS CA C 13 59.89 0.10 . 1 . . . . 95 HIS CA . 15067 1 326 . 1 1 95 95 HIS N N 15 118.53 0.10 . 1 . . . . 95 HIS N . 15067 1 327 . 1 1 96 96 SER C C 13 177.02 0.10 . 1 . . . . 96 SER C . 15067 1 328 . 1 1 97 97 GLU H H 1 10.78 0.010 . 1 . . . . 97 GLU H . 15067 1 329 . 1 1 97 97 GLU C C 13 176.66 0.10 . 1 . . . . 97 GLU C . 15067 1 330 . 1 1 97 97 GLU N N 15 124.98 0.10 . 1 . . . . 97 GLU N . 15067 1 331 . 1 1 100 100 HIS C C 13 177.12 0.10 . 1 . . . . 100 HIS C . 15067 1 332 . 1 1 100 100 HIS CA C 13 57.43 0.10 . 1 . . . . 100 HIS CA . 15067 1 333 . 1 1 101 101 VAL H H 1 7.911 0.010 . 1 . . . . 101 VAL H . 15067 1 334 . 1 1 101 101 VAL C C 13 177.69 0.10 . 1 . . . . 101 VAL C . 15067 1 335 . 1 1 101 101 VAL CA C 13 64.98 0.10 . 1 . . . . 101 VAL CA . 15067 1 336 . 1 1 101 101 VAL N N 15 119.47 0.10 . 1 . . . . 101 VAL N . 15067 1 337 . 1 1 102 102 PHE H H 1 6.615 0.010 . 1 . . . . 102 PHE H . 15067 1 338 . 1 1 102 102 PHE C C 13 176.00 0.10 . 1 . . . . 102 PHE C . 15067 1 339 . 1 1 102 102 PHE CA C 13 59.06 0.10 . 1 . . . . 102 PHE CA . 15067 1 340 . 1 1 102 102 PHE N N 15 113.63 0.10 . 1 . . . . 102 PHE N . 15067 1 341 . 1 1 103 103 GLY H H 1 6.709 0.010 . 1 . . . . 103 GLY H . 15067 1 342 . 1 1 103 103 GLY C C 13 175.23 0.10 . 1 . . . . 103 GLY C . 15067 1 343 . 1 1 103 103 GLY CA C 13 47.57 0.10 . 1 . . . . 103 GLY CA . 15067 1 344 . 1 1 103 103 GLY N N 15 107.95 0.10 . 1 . . . . 103 GLY N . 15067 1 345 . 1 1 104 104 GLU H H 1 8.168 0.010 . 1 . . . . 104 GLU H . 15067 1 346 . 1 1 104 104 GLU C C 13 175.70 0.10 . 1 . . . . 104 GLU C . 15067 1 347 . 1 1 104 104 GLU CA C 13 59.16 0.10 . 1 . . . . 104 GLU CA . 15067 1 348 . 1 1 104 104 GLU N N 15 121.22 0.10 . 1 . . . . 104 GLU N . 15067 1 349 . 1 1 105 105 SER H H 1 8.150 0.010 . 1 . . . . 105 SER H . 15067 1 350 . 1 1 105 105 SER C C 13 174.33 0.10 . 1 . . . . 105 SER C . 15067 1 351 . 1 1 105 105 SER CA C 13 56.85 0.10 . 1 . . . . 105 SER CA . 15067 1 352 . 1 1 105 105 SER N N 15 120.17 0.10 . 1 . . . . 105 SER N . 15067 1 353 . 1 1 106 106 ASP H H 1 8.637 0.010 . 1 . . . . 106 ASP H . 15067 1 354 . 1 1 106 106 ASP C C 13 178.17 0.10 . 1 . . . . 106 ASP C . 15067 1 355 . 1 1 106 106 ASP CA C 13 58.91 0.10 . 1 . . . . 106 ASP CA . 15067 1 356 . 1 1 106 106 ASP N N 15 119.95 0.10 . 1 . . . . 106 ASP N . 15067 1 357 . 1 1 107 107 GLU H H 1 8.332 0.010 . 1 . . . . 107 GLU H . 15067 1 358 . 1 1 107 107 GLU C C 13 178.56 0.10 . 1 . . . . 107 GLU C . 15067 1 359 . 1 1 107 107 GLU CA C 13 59.50 0.10 . 1 . . . . 107 GLU CA . 15067 1 360 . 1 1 107 107 GLU N N 15 119.01 0.10 . 1 . . . . 107 GLU N . 15067 1 361 . 1 1 108 108 LEU H H 1 7.774 0.010 . 1 . . . . 108 LEU H . 15067 1 362 . 1 1 108 108 LEU C C 13 178.88 0.10 . 1 . . . . 108 LEU C . 15067 1 363 . 1 1 108 108 LEU CA C 13 57.74 0.10 . 1 . . . . 108 LEU CA . 15067 1 364 . 1 1 108 108 LEU N N 15 122.30 0.10 . 1 . . . . 108 LEU N . 15067 1 365 . 1 1 109 109 ILE H H 1 8.718 0.010 . 1 . . . . 109 ILE H . 15067 1 366 . 1 1 109 109 ILE C C 13 178.07 0.10 . 1 . . . . 109 ILE C . 15067 1 367 . 1 1 109 109 ILE CA C 13 65.99 0.10 . 1 . . . . 109 ILE CA . 15067 1 368 . 1 1 109 109 ILE N N 15 120.15 0.10 . 1 . . . . 109 ILE N . 15067 1 369 . 1 1 110 110 GLY H H 1 8.527 0.010 . 1 . . . . 110 GLY H . 15067 1 370 . 1 1 110 110 GLY C C 13 174.96 0.10 . 1 . . . . 110 GLY C . 15067 1 371 . 1 1 110 110 GLY CA C 13 48.19 0.10 . 1 . . . . 110 GLY CA . 15067 1 372 . 1 1 110 110 GLY N N 15 106.70 0.10 . 1 . . . . 110 GLY N . 15067 1 373 . 1 1 111 111 GLN H H 1 7.579 0.010 . 1 . . . . 111 GLN H . 15067 1 374 . 1 1 111 111 GLN C C 13 180.66 0.10 . 1 . . . . 111 GLN C . 15067 1 375 . 1 1 111 111 GLN CA C 13 58.64 0.10 . 1 . . . . 111 GLN CA . 15067 1 376 . 1 1 111 111 GLN N N 15 119.23 0.10 . 1 . . . . 111 GLN N . 15067 1 377 . 1 1 114 114 ALA C C 13 181.00 0.10 . 1 . . . . 114 ALA C . 15067 1 378 . 1 1 114 114 ALA CA C 13 55.04 0.10 . 1 . . . . 114 ALA CA . 15067 1 379 . 1 1 115 115 HIS H H 1 7.663 0.010 . 1 . . . . 115 HIS H . 15067 1 380 . 1 1 115 115 HIS C C 13 175.85 0.10 . 1 . . . . 115 HIS C . 15067 1 381 . 1 1 115 115 HIS CA C 13 59.14 0.10 . 1 . . . . 115 HIS CA . 15067 1 382 . 1 1 115 115 HIS N N 15 117.09 0.10 . 1 . . . . 115 HIS N . 15067 1 383 . 1 1 117 117 LEU C C 13 182.64 0.10 . 1 . . . . 117 LEU C . 15067 1 384 . 1 1 117 117 LEU CA C 13 56.99 0.10 . 1 . . . . 117 LEU CA . 15067 1 385 . 1 1 118 118 ALA H H 1 7.896 0.010 . 1 . . . . 118 ALA H . 15067 1 386 . 1 1 118 118 ALA C C 13 179.87 0.10 . 1 . . . . 118 ALA C . 15067 1 387 . 1 1 118 118 ALA CA C 13 55.18 0.10 . 1 . . . . 118 ALA CA . 15067 1 388 . 1 1 118 118 ALA N N 15 125.13 0.10 . 1 . . . . 118 ALA N . 15067 1 389 . 1 1 119 119 GLU H H 1 7.385 0.010 . 1 . . . . 119 GLU H . 15067 1 390 . 1 1 119 119 GLU C C 13 176.07 0.10 . 1 . . . . 119 GLU C . 15067 1 391 . 1 1 119 119 GLU CA C 13 55.83 0.10 . 1 . . . . 119 GLU CA . 15067 1 392 . 1 1 119 119 GLU N N 15 115.97 0.10 . 1 . . . . 119 GLU N . 15067 1 393 . 1 1 120 120 GLY H H 1 7.467 0.010 . 1 . . . . 120 GLY H . 15067 1 394 . 1 1 120 120 GLY C C 13 175.16 0.10 . 1 . . . . 120 GLY C . 15067 1 395 . 1 1 120 120 GLY CA C 13 45.47 0.10 . 1 . . . . 120 GLY CA . 15067 1 396 . 1 1 120 120 GLY N N 15 105.33 0.10 . 1 . . . . 120 GLY N . 15067 1 397 . 1 1 121 121 LEU H H 1 7.624 0.010 . 1 . . . . 121 LEU H . 15067 1 398 . 1 1 121 121 LEU C C 13 176.50 0.10 . 1 . . . . 121 LEU C . 15067 1 399 . 1 1 121 121 LEU CA C 13 53.87 0.10 . 1 . . . . 121 LEU CA . 15067 1 400 . 1 1 121 121 LEU N N 15 120.50 0.10 . 1 . . . . 121 LEU N . 15067 1 401 . 1 1 122 122 GLY H H 1 7.688 0.010 . 1 . . . . 122 GLY H . 15067 1 402 . 1 1 122 122 GLY C C 13 173.87 0.10 . 1 . . . . 122 GLY C . 15067 1 403 . 1 1 122 122 GLY CA C 13 44.79 0.10 . 1 . . . . 122 GLY CA . 15067 1 404 . 1 1 122 122 GLY N N 15 106.34 0.10 . 1 . . . . 122 GLY N . 15067 1 405 . 1 1 123 123 VAL H H 1 8.654 0.010 . 1 . . . . 123 VAL H . 15067 1 406 . 1 1 123 123 VAL CA C 13 57.35 0.10 . 1 . . . . 123 VAL CA . 15067 1 407 . 1 1 123 123 VAL N N 15 121.51 0.10 . 1 . . . . 123 VAL N . 15067 1 408 . 1 1 127 127 ILE CA C 13 59.99 0.10 . 1 . . . . 127 ILE CA . 15067 1 409 . 1 1 128 128 GLY H H 1 9.622 0.010 . 1 . . . . 128 GLY H . 15067 1 410 . 1 1 128 128 GLY N N 15 107.85 0.10 . 1 . . . . 128 GLY N . 15067 1 411 . 1 1 129 129 GLU C C 13 176.15 0.10 . 1 . . . . 129 GLU C . 15067 1 412 . 1 1 130 130 LYS H H 1 9.619 0.010 . 1 . . . . 130 LYS H . 15067 1 413 . 1 1 130 130 LYS CA C 13 55.92 0.10 . 1 . . . . 130 LYS CA . 15067 1 414 . 1 1 130 130 LYS N N 15 121.18 0.10 . 1 . . . . 130 LYS N . 15067 1 415 . 1 1 135 135 GLU CA C 13 57.10 0.10 . 1 . . . . 135 GLU CA . 15067 1 416 . 1 1 136 136 ALA CA C 13 52.59 0.10 . 1 . . . . 136 ALA CA . 15067 1 417 . 1 1 148 148 LYS C C 13 176.75 0.10 . 1 . . . . 148 LYS C . 15067 1 418 . 1 1 148 148 LYS CA C 13 60.05 0.10 . 1 . . . . 148 LYS CA . 15067 1 419 . 1 1 149 149 ALA H H 1 7.150 0.010 . 1 . . . . 149 ALA H . 15067 1 420 . 1 1 149 149 ALA C C 13 179.79 0.10 . 1 . . . . 149 ALA C . 15067 1 421 . 1 1 149 149 ALA CA C 13 54.92 0.10 . 1 . . . . 149 ALA CA . 15067 1 422 . 1 1 149 149 ALA N N 15 118.49 0.10 . 1 . . . . 149 ALA N . 15067 1 423 . 1 1 150 150 ILE H H 1 7.004 0.010 . 1 . . . . 150 ILE H . 15067 1 424 . 1 1 150 150 ILE C C 13 177.22 0.10 . 1 . . . . 150 ILE C . 15067 1 425 . 1 1 150 150 ILE CA C 13 65.09 0.10 . 1 . . . . 150 ILE CA . 15067 1 426 . 1 1 150 150 ILE N N 15 116.95 0.10 . 1 . . . . 150 ILE N . 15067 1 427 . 1 1 151 151 ALA H H 1 9.353 0.010 . 1 . . . . 151 ALA H . 15067 1 428 . 1 1 151 151 ALA C C 13 180.09 0.10 . 1 . . . . 151 ALA C . 15067 1 429 . 1 1 151 151 ALA CA C 13 55.81 0.10 . 1 . . . . 151 ALA CA . 15067 1 430 . 1 1 151 151 ALA N N 15 122.48 0.10 . 1 . . . . 151 ALA N . 15067 1 431 . 1 1 152 152 ASP H H 1 8.728 0.010 . 1 . . . . 152 ASP H . 15067 1 432 . 1 1 152 152 ASP C C 13 176.49 0.10 . 1 . . . . 152 ASP C . 15067 1 433 . 1 1 152 152 ASP CA C 13 56.60 0.10 . 1 . . . . 152 ASP CA . 15067 1 434 . 1 1 152 152 ASP N N 15 117.17 0.10 . 1 . . . . 152 ASP N . 15067 1 435 . 1 1 153 153 ASN H H 1 8.146 0.010 . 1 . . . . 153 ASN H . 15067 1 436 . 1 1 153 153 ASN C C 13 173.00 0.10 . 1 . . . . 153 ASN C . 15067 1 437 . 1 1 153 153 ASN CA C 13 54.03 0.10 . 1 . . . . 153 ASN CA . 15067 1 438 . 1 1 153 153 ASN N N 15 117.48 0.10 . 1 . . . . 153 ASN N . 15067 1 439 . 1 1 154 154 VAL H H 1 7.256 0.010 . 1 . . . . 154 VAL H . 15067 1 440 . 1 1 154 154 VAL C C 13 175.13 0.10 . 1 . . . . 154 VAL C . 15067 1 441 . 1 1 154 154 VAL CA C 13 62.65 0.10 . 1 . . . . 154 VAL CA . 15067 1 442 . 1 1 154 154 VAL N N 15 121.01 0.10 . 1 . . . . 154 VAL N . 15067 1 443 . 1 1 155 155 LYS C C 13 175.95 0.10 . 1 . . . . 155 LYS C . 15067 1 444 . 1 1 155 155 LYS CA C 13 56.42 0.10 . 1 . . . . 155 LYS CA . 15067 1 445 . 1 1 156 156 ASP H H 1 7.399 0.010 . 1 . . . . 156 ASP H . 15067 1 446 . 1 1 156 156 ASP C C 13 175.60 0.10 . 1 . . . . 156 ASP C . 15067 1 447 . 1 1 156 156 ASP CA C 13 52.78 0.10 . 1 . . . . 156 ASP CA . 15067 1 448 . 1 1 156 156 ASP N N 15 119.69 0.10 . 1 . . . . 156 ASP N . 15067 1 449 . 1 1 157 157 TRP H H 1 8.908 0.010 . 1 . . . . 157 TRP H . 15067 1 450 . 1 1 157 157 TRP C C 13 177.90 0.10 . 1 . . . . 157 TRP C . 15067 1 451 . 1 1 157 157 TRP CA C 13 59.67 0.10 . 1 . . . . 157 TRP CA . 15067 1 452 . 1 1 157 157 TRP N N 15 126.09 0.10 . 1 . . . . 157 TRP N . 15067 1 453 . 1 1 158 158 SER H H 1 8.636 0.010 . 1 . . . . 158 SER H . 15067 1 454 . 1 1 158 158 SER C C 13 175.85 0.10 . 1 . . . . 158 SER C . 15067 1 455 . 1 1 158 158 SER CA C 13 62.86 0.10 . 1 . . . . 158 SER CA . 15067 1 456 . 1 1 158 158 SER N N 15 118.59 0.10 . 1 . . . . 158 SER N . 15067 1 457 . 1 1 159 159 LYS H H 1 8.131 0.010 . 1 . . . . 159 LYS H . 15067 1 458 . 1 1 159 159 LYS C C 13 172.65 0.10 . 1 . . . . 159 LYS C . 15067 1 459 . 1 1 159 159 LYS CA C 13 54.81 0.10 . 1 . . . . 159 LYS CA . 15067 1 460 . 1 1 159 159 LYS N N 15 122.03 0.10 . 1 . . . . 159 LYS N . 15067 1 461 . 1 1 160 160 VAL H H 1 7.194 0.010 . 1 . . . . 160 VAL H . 15067 1 462 . 1 1 160 160 VAL C C 13 174.64 0.10 . 1 . . . . 160 VAL C . 15067 1 463 . 1 1 160 160 VAL CA C 13 61.57 0.10 . 1 . . . . 160 VAL CA . 15067 1 464 . 1 1 160 160 VAL N N 15 117.71 0.10 . 1 . . . . 160 VAL N . 15067 1 465 . 1 1 164 164 TYR C C 13 173.74 0.10 . 1 . . . . 164 TYR C . 15067 1 466 . 1 1 165 165 GLU H H 1 9.089 0.010 . 1 . . . . 165 GLU H . 15067 1 467 . 1 1 165 165 GLU C C 13 173.23 0.10 . 1 . . . . 165 GLU C . 15067 1 468 . 1 1 165 165 GLU CA C 13 52.47 0.10 . 1 . . . . 165 GLU CA . 15067 1 469 . 1 1 165 165 GLU N N 15 130.70 0.10 . 1 . . . . 165 GLU N . 15067 1 470 . 1 1 166 166 PRO C C 13 177.58 0.10 . 1 . . . . 166 PRO C . 15067 1 471 . 1 1 166 166 PRO CA C 13 63.60 0.10 . 1 . . . . 166 PRO CA . 15067 1 472 . 1 1 167 167 GLY H H 1 8.477 0.010 . 1 . . . . 167 GLY H . 15067 1 473 . 1 1 167 167 GLY C C 13 174.72 0.10 . 1 . . . . 167 GLY C . 15067 1 474 . 1 1 167 167 GLY CA C 13 45.38 0.10 . 1 . . . . 167 GLY CA . 15067 1 475 . 1 1 167 167 GLY N N 15 109.89 0.10 . 1 . . . . 167 GLY N . 15067 1 476 . 1 1 168 168 GLY H H 1 8.326 0.010 . 1 . . . . 168 GLY H . 15067 1 477 . 1 1 168 168 GLY C C 13 173.50 0.10 . 1 . . . . 168 GLY C . 15067 1 478 . 1 1 168 168 GLY CA C 13 45.13 0.10 . 1 . . . . 168 GLY CA . 15067 1 479 . 1 1 168 168 GLY N N 15 108.68 0.10 . 1 . . . . 168 GLY N . 15067 1 480 . 1 1 169 169 ALA H H 1 8.161 0.010 . 1 . . . . 169 ALA H . 15067 1 481 . 1 1 169 169 ALA C C 13 177.57 0.10 . 1 . . . . 169 ALA C . 15067 1 482 . 1 1 169 169 ALA CA C 13 52.39 0.10 . 1 . . . . 169 ALA CA . 15067 1 483 . 1 1 169 169 ALA N N 15 123.67 0.10 . 1 . . . . 169 ALA N . 15067 1 484 . 1 1 170 170 ILE H H 1 7.970 0.010 . 1 . . . . 170 ILE H . 15067 1 485 . 1 1 170 170 ILE C C 13 176.81 0.10 . 1 . . . . 170 ILE C . 15067 1 486 . 1 1 170 170 ILE CA C 13 61.91 0.10 . 1 . . . . 170 ILE CA . 15067 1 487 . 1 1 170 170 ILE N N 15 119.93 0.10 . 1 . . . . 170 ILE N . 15067 1 488 . 1 1 171 171 GLY H H 1 8.434 0.010 . 1 . . . . 171 GLY H . 15067 1 489 . 1 1 171 171 GLY C C 13 174.73 0.10 . 1 . . . . 171 GLY C . 15067 1 490 . 1 1 171 171 GLY CA C 13 45.45 0.10 . 1 . . . . 171 GLY CA . 15067 1 491 . 1 1 171 171 GLY N N 15 113.69 0.10 . 1 . . . . 171 GLY N . 15067 1 492 . 1 1 172 172 THR H H 1 8.017 0.010 . 1 . . . . 172 THR H . 15067 1 493 . 1 1 172 172 THR C C 13 175.51 0.10 . 1 . . . . 172 THR C . 15067 1 494 . 1 1 172 172 THR CA C 13 62.24 0.10 . 1 . . . . 172 THR CA . 15067 1 495 . 1 1 172 172 THR N N 15 113.34 0.10 . 1 . . . . 172 THR N . 15067 1 496 . 1 1 173 173 GLY H H 1 8.528 0.010 . 1 . . . . 173 GLY H . 15067 1 497 . 1 1 173 173 GLY C C 13 174.82 0.10 . 1 . . . . 173 GLY C . 15067 1 498 . 1 1 173 173 GLY CA C 13 45.70 0.10 . 1 . . . . 173 GLY CA . 15067 1 499 . 1 1 173 173 GLY N N 15 111.64 0.10 . 1 . . . . 173 GLY N . 15067 1 500 . 1 1 174 174 GLY H H 1 8.290 0.010 . 1 . . . . 174 GLY H . 15067 1 501 . 1 1 174 174 GLY C C 13 174.47 0.10 . 1 . . . . 174 GLY C . 15067 1 502 . 1 1 174 174 GLY CA C 13 45.44 0.10 . 1 . . . . 174 GLY CA . 15067 1 503 . 1 1 174 174 GLY N N 15 109.22 0.10 . 1 . . . . 174 GLY N . 15067 1 504 . 1 1 175 175 GLY H H 1 8.267 0.010 . 1 . . . . 175 GLY H . 15067 1 505 . 1 1 175 175 GLY C C 13 174.19 0.10 . 1 . . . . 175 GLY C . 15067 1 506 . 1 1 175 175 GLY CA C 13 45.36 0.10 . 1 . . . . 175 GLY CA . 15067 1 507 . 1 1 175 175 GLY N N 15 109.01 0.10 . 1 . . . . 175 GLY N . 15067 1 508 . 1 1 176 176 GLY H H 1 8.208 0.010 . 1 . . . . 176 GLY H . 15067 1 509 . 1 1 176 176 GLY C C 13 174.35 0.10 . 1 . . . . 176 GLY C . 15067 1 510 . 1 1 176 176 GLY CA C 13 45.25 0.10 . 1 . . . . 176 GLY CA . 15067 1 511 . 1 1 176 176 GLY N N 15 109.11 0.10 . 1 . . . . 176 GLY N . 15067 1 512 . 1 1 177 177 THR H H 1 8.199 0.010 . 1 . . . . 177 THR H . 15067 1 513 . 1 1 177 177 THR C C 13 174.47 0.10 . 1 . . . . 177 THR C . 15067 1 514 . 1 1 177 177 THR CA C 13 61.20 0.10 . 1 . . . . 177 THR CA . 15067 1 515 . 1 1 177 177 THR N N 15 113.32 0.10 . 1 . . . . 177 THR N . 15067 1 516 . 1 1 178 178 PRO C C 13 177.21 0.10 . 1 . . . . 178 PRO C . 15067 1 517 . 1 1 178 178 PRO CA C 13 65.55 0.10 . 1 . . . . 178 PRO CA . 15067 1 518 . 1 1 179 179 GLN H H 1 7.866 0.010 . 1 . . . . 179 GLN H . 15067 1 519 . 1 1 179 179 GLN C C 13 178.52 0.10 . 1 . . . . 179 GLN C . 15067 1 520 . 1 1 179 179 GLN CA C 13 59.52 0.10 . 1 . . . . 179 GLN CA . 15067 1 521 . 1 1 179 179 GLN N N 15 115.64 0.10 . 1 . . . . 179 GLN N . 15067 1 522 . 1 1 180 180 GLN H H 1 7.788 0.010 . 1 . . . . 180 GLN H . 15067 1 523 . 1 1 180 180 GLN C C 13 178.82 0.10 . 1 . . . . 180 GLN C . 15067 1 524 . 1 1 180 180 GLN CA C 13 58.85 0.10 . 1 . . . . 180 GLN CA . 15067 1 525 . 1 1 180 180 GLN N N 15 120.64 0.10 . 1 . . . . 180 GLN N . 15067 1 526 . 1 1 181 181 ALA H H 1 7.646 0.010 . 1 . . . . 181 ALA H . 15067 1 527 . 1 1 181 181 ALA C C 13 177.86 0.10 . 1 . . . . 181 ALA C . 15067 1 528 . 1 1 181 181 ALA CA C 13 55.47 0.10 . 1 . . . . 181 ALA CA . 15067 1 529 . 1 1 181 181 ALA N N 15 122.67 0.10 . 1 . . . . 181 ALA N . 15067 1 530 . 1 1 182 182 GLN H H 1 7.859 0.010 . 1 . . . . 182 GLN H . 15067 1 531 . 1 1 182 182 GLN C C 13 177.32 0.10 . 1 . . . . 182 GLN C . 15067 1 532 . 1 1 182 182 GLN CA C 13 57.91 0.10 . 1 . . . . 182 GLN CA . 15067 1 533 . 1 1 182 182 GLN N N 15 117.30 0.10 . 1 . . . . 182 GLN N . 15067 1 534 . 1 1 183 183 GLU H H 1 7.792 0.010 . 1 . . . . 183 GLU H . 15067 1 535 . 1 1 183 183 GLU C C 13 179.37 0.10 . 1 . . . . 183 GLU C . 15067 1 536 . 1 1 183 183 GLU CA C 13 59.48 0.10 . 1 . . . . 183 GLU CA . 15067 1 537 . 1 1 183 183 GLU N N 15 116.84 0.10 . 1 . . . . 183 GLU N . 15067 1 538 . 1 1 184 184 VAL H H 1 7.448 0.010 . 1 . . . . 184 VAL H . 15067 1 539 . 1 1 184 184 VAL C C 13 178.16 0.10 . 1 . . . . 184 VAL C . 15067 1 540 . 1 1 184 184 VAL CA C 13 67.00 0.10 . 1 . . . . 184 VAL CA . 15067 1 541 . 1 1 184 184 VAL N N 15 118.46 0.10 . 1 . . . . 184 VAL N . 15067 1 542 . 1 1 185 185 HIS H H 1 9.072 0.010 . 1 . . . . 185 HIS H . 15067 1 543 . 1 1 185 185 HIS C C 13 177.69 0.10 . 1 . . . . 185 HIS C . 15067 1 544 . 1 1 185 185 HIS CA C 13 61.99 0.10 . 1 . . . . 185 HIS CA . 15067 1 545 . 1 1 185 185 HIS N N 15 121.04 0.10 . 1 . . . . 185 HIS N . 15067 1 546 . 1 1 186 186 GLU H H 1 8.884 0.010 . 1 . . . . 186 GLU H . 15067 1 547 . 1 1 186 186 GLU C C 13 180.12 0.10 . 1 . . . . 186 GLU C . 15067 1 548 . 1 1 186 186 GLU CA C 13 60.06 0.10 . 1 . . . . 186 GLU CA . 15067 1 549 . 1 1 186 186 GLU N N 15 118.74 0.10 . 1 . . . . 186 GLU N . 15067 1 550 . 1 1 187 187 LYS H H 1 7.637 0.010 . 1 . . . . 187 LYS H . 15067 1 551 . 1 1 187 187 LYS C C 13 180.46 0.10 . 1 . . . . 187 LYS C . 15067 1 552 . 1 1 187 187 LYS CA C 13 59.56 0.10 . 1 . . . . 187 LYS CA . 15067 1 553 . 1 1 187 187 LYS N N 15 121.69 0.10 . 1 . . . . 187 LYS N . 15067 1 554 . 1 1 188 188 LEU H H 1 8.930 0.010 . 1 . . . . 188 LEU H . 15067 1 555 . 1 1 188 188 LEU C C 13 178.27 0.10 . 1 . . . . 188 LEU C . 15067 1 556 . 1 1 188 188 LEU CA C 13 58.11 0.10 . 1 . . . . 188 LEU CA . 15067 1 557 . 1 1 188 188 LEU N N 15 123.38 0.10 . 1 . . . . 188 LEU N . 15067 1 558 . 1 1 189 189 ARG H H 1 8.584 0.010 . 1 . . . . 189 ARG H . 15067 1 559 . 1 1 189 189 ARG C C 13 179.31 0.10 . 1 . . . . 189 ARG C . 15067 1 560 . 1 1 189 189 ARG CA C 13 61.07 0.10 . 1 . . . . 189 ARG CA . 15067 1 561 . 1 1 189 189 ARG N N 15 122.14 0.10 . 1 . . . . 189 ARG N . 15067 1 562 . 1 1 190 190 GLY H H 1 8.238 0.010 . 1 . . . . 190 GLY H . 15067 1 563 . 1 1 190 190 GLY C C 13 176.25 0.10 . 1 . . . . 190 GLY C . 15067 1 564 . 1 1 190 190 GLY CA C 13 46.95 0.10 . 1 . . . . 190 GLY CA . 15067 1 565 . 1 1 190 190 GLY N N 15 105.78 0.10 . 1 . . . . 190 GLY N . 15067 1 566 . 1 1 191 191 TRP H H 1 8.326 0.010 . 1 . . . . 191 TRP H . 15067 1 567 . 1 1 191 191 TRP C C 13 179.71 0.10 . 1 . . . . 191 TRP C . 15067 1 568 . 1 1 191 191 TRP CA C 13 62.70 0.10 . 1 . . . . 191 TRP CA . 15067 1 569 . 1 1 191 191 TRP N N 15 126.81 0.10 . 1 . . . . 191 TRP N . 15067 1 570 . 1 1 192 192 LEU C C 13 178.54 0.10 . 1 . . . . 192 LEU C . 15067 1 571 . 1 1 192 192 LEU CA C 13 58.32 0.10 . 1 . . . . 192 LEU CA . 15067 1 572 . 1 1 193 193 LYS H H 1 7.995 0.010 . 1 . . . . 193 LYS H . 15067 1 573 . 1 1 193 193 LYS C C 13 176.75 0.10 . 1 . . . . 193 LYS C . 15067 1 574 . 1 1 193 193 LYS CA C 13 59.43 0.10 . 1 . . . . 193 LYS CA . 15067 1 575 . 1 1 193 193 LYS N N 15 120.64 0.10 . 1 . . . . 193 LYS N . 15067 1 576 . 1 1 194 194 SER H H 1 7.503 0.010 . 1 . . . . 194 SER H . 15067 1 577 . 1 1 194 194 SER C C 13 175.51 0.10 . 1 . . . . 194 SER C . 15067 1 578 . 1 1 194 194 SER CA C 13 60.16 0.10 . 1 . . . . 194 SER CA . 15067 1 579 . 1 1 194 194 SER N N 15 110.24 0.10 . 1 . . . . 194 SER N . 15067 1 580 . 1 1 195 195 HIS H H 1 7.916 0.010 . 1 . . . . 195 HIS H . 15067 1 581 . 1 1 195 195 HIS C C 13 174.62 0.10 . 1 . . . . 195 HIS C . 15067 1 582 . 1 1 195 195 HIS CA C 13 57.26 0.10 . 1 . . . . 195 HIS CA . 15067 1 583 . 1 1 195 195 HIS N N 15 115.50 0.10 . 1 . . . . 195 HIS N . 15067 1 584 . 1 1 196 196 VAL H H 1 7.689 0.010 . 1 . . . . 196 VAL H . 15067 1 585 . 1 1 196 196 VAL C C 13 174.52 0.10 . 1 . . . . 196 VAL C . 15067 1 586 . 1 1 196 196 VAL CA C 13 64.88 0.10 . 1 . . . . 196 VAL CA . 15067 1 587 . 1 1 196 196 VAL N N 15 121.32 0.10 . 1 . . . . 196 VAL N . 15067 1 588 . 1 1 197 197 SER H H 1 7.575 0.010 . 1 . . . . 197 SER H . 15067 1 589 . 1 1 197 197 SER C C 13 174.05 0.10 . 1 . . . . 197 SER C . 15067 1 590 . 1 1 197 197 SER CA C 13 58.36 0.10 . 1 . . . . 197 SER CA . 15067 1 591 . 1 1 197 197 SER N N 15 112.04 0.10 . 1 . . . . 197 SER N . 15067 1 592 . 1 1 198 198 ASP H H 1 8.933 0.010 . 1 . . . . 198 ASP H . 15067 1 593 . 1 1 198 198 ASP C C 13 177.78 0.10 . 1 . . . . 198 ASP C . 15067 1 594 . 1 1 198 198 ASP CA C 13 58.22 0.10 . 1 . . . . 198 ASP CA . 15067 1 595 . 1 1 198 198 ASP N N 15 122.22 0.10 . 1 . . . . 198 ASP N . 15067 1 596 . 1 1 199 199 ALA H H 1 8.282 0.010 . 1 . . . . 199 ALA H . 15067 1 597 . 1 1 199 199 ALA C C 13 181.24 0.10 . 1 . . . . 199 ALA C . 15067 1 598 . 1 1 199 199 ALA CA C 13 55.36 0.10 . 1 . . . . 199 ALA CA . 15067 1 599 . 1 1 199 199 ALA N N 15 121.08 0.10 . 1 . . . . 199 ALA N . 15067 1 600 . 1 1 200 200 VAL H H 1 7.780 0.010 . 1 . . . . 200 VAL H . 15067 1 601 . 1 1 200 200 VAL C C 13 179.21 0.10 . 1 . . . . 200 VAL C . 15067 1 602 . 1 1 200 200 VAL CA C 13 66.37 0.10 . 1 . . . . 200 VAL CA . 15067 1 603 . 1 1 200 200 VAL N N 15 120.45 0.10 . 1 . . . . 200 VAL N . 15067 1 604 . 1 1 201 201 ALA H H 1 7.889 0.010 . 1 . . . . 201 ALA H . 15067 1 605 . 1 1 201 201 ALA C C 13 177.68 0.10 . 1 . . . . 201 ALA C . 15067 1 606 . 1 1 201 201 ALA CA C 13 55.71 0.10 . 1 . . . . 201 ALA CA . 15067 1 607 . 1 1 201 201 ALA N N 15 125.42 0.10 . 1 . . . . 201 ALA N . 15067 1 608 . 1 1 202 202 GLN H H 1 7.986 0.010 . 1 . . . . 202 GLN H . 15067 1 609 . 1 1 202 202 GLN C C 13 178.25 0.10 . 1 . . . . 202 GLN C . 15067 1 610 . 1 1 202 202 GLN CA C 13 57.47 0.10 . 1 . . . . 202 GLN CA . 15067 1 611 . 1 1 202 202 GLN N N 15 110.79 0.10 . 1 . . . . 202 GLN N . 15067 1 612 . 1 1 203 203 SER H H 1 7.681 0.010 . 1 . . . . 203 SER H . 15067 1 613 . 1 1 203 203 SER C C 13 174.74 0.10 . 1 . . . . 203 SER C . 15067 1 614 . 1 1 203 203 SER CA C 13 59.32 0.10 . 1 . . . . 203 SER CA . 15067 1 615 . 1 1 203 203 SER N N 15 111.76 0.10 . 1 . . . . 203 SER N . 15067 1 616 . 1 1 204 204 THR H H 1 7.320 0.010 . 1 . . . . 204 THR H . 15067 1 617 . 1 1 204 204 THR C C 13 172.61 0.10 . 1 . . . . 204 THR C . 15067 1 618 . 1 1 204 204 THR CA C 13 64.51 0.10 . 1 . . . . 204 THR CA . 15067 1 619 . 1 1 204 204 THR N N 15 121.62 0.10 . 1 . . . . 204 THR N . 15067 1 620 . 1 1 205 205 ARG H H 1 9.292 0.010 . 1 . . . . 205 ARG H . 15067 1 621 . 1 1 205 205 ARG C C 13 174.24 0.10 . 1 . . . . 205 ARG C . 15067 1 622 . 1 1 205 205 ARG CA C 13 58.30 0.10 . 1 . . . . 205 ARG CA . 15067 1 623 . 1 1 205 205 ARG N N 15 128.34 0.10 . 1 . . . . 205 ARG N . 15067 1 624 . 1 1 208 208 TYR C C 13 175.99 0.10 . 1 . . . . 208 TYR C . 15067 1 625 . 1 1 209 209 GLY H H 1 9.418 0.010 . 1 . . . . 209 GLY H . 15067 1 626 . 1 1 209 209 GLY CA C 13 45.58 0.10 . 1 . . . . 209 GLY CA . 15067 1 627 . 1 1 209 209 GLY N N 15 117.59 0.10 . 1 . . . . 209 GLY N . 15067 1 628 . 1 1 212 212 VAL C C 13 173.89 0.10 . 1 . . . . 212 VAL C . 15067 1 629 . 1 1 212 212 VAL CA C 13 61.86 0.10 . 1 . . . . 212 VAL CA . 15067 1 630 . 1 1 213 213 THR H H 1 9.088 0.010 . 1 . . . . 213 THR H . 15067 1 631 . 1 1 213 213 THR C C 13 175.21 0.10 . 1 . . . . 213 THR C . 15067 1 632 . 1 1 213 213 THR CA C 13 58.89 0.10 . 1 . . . . 213 THR CA . 15067 1 633 . 1 1 213 213 THR N N 15 117.65 0.10 . 1 . . . . 213 THR N . 15067 1 634 . 1 1 214 214 GLY H H 1 9.982 0.010 . 1 . . . . 214 GLY H . 15067 1 635 . 1 1 214 214 GLY C C 13 175.71 0.10 . 1 . . . . 214 GLY C . 15067 1 636 . 1 1 214 214 GLY CA C 13 46.84 0.10 . 1 . . . . 214 GLY CA . 15067 1 637 . 1 1 214 214 GLY N N 15 108.53 0.10 . 1 . . . . 214 GLY N . 15067 1 638 . 1 1 215 215 GLY H H 1 8.139 0.010 . 1 . . . . 215 GLY H . 15067 1 639 . 1 1 215 215 GLY C C 13 174.81 0.10 . 1 . . . . 215 GLY C . 15067 1 640 . 1 1 215 215 GLY CA C 13 46.08 0.10 . 1 . . . . 215 GLY CA . 15067 1 641 . 1 1 215 215 GLY N N 15 106.63 0.10 . 1 . . . . 215 GLY N . 15067 1 642 . 1 1 216 216 ASN H H 1 7.534 0.010 . 1 . . . . 216 ASN H . 15067 1 643 . 1 1 216 216 ASN C C 13 178.94 0.10 . 1 . . . . 216 ASN C . 15067 1 644 . 1 1 216 216 ASN CA C 13 52.20 0.10 . 1 . . . . 216 ASN CA . 15067 1 645 . 1 1 216 216 ASN N N 15 117.55 0.10 . 1 . . . . 216 ASN N . 15067 1 646 . 1 1 217 217 CYS H H 1 7.584 0.010 . 1 . . . . 217 CYS H . 15067 1 647 . 1 1 217 217 CYS C C 13 176.17 0.10 . 1 . . . . 217 CYS C . 15067 1 648 . 1 1 217 217 CYS CA C 13 60.99 0.10 . 1 . . . . 217 CYS CA . 15067 1 649 . 1 1 217 217 CYS N N 15 117.65 0.10 . 1 . . . . 217 CYS N . 15067 1 650 . 1 1 218 218 LYS H H 1 8.548 0.010 . 1 . . . . 218 LYS H . 15067 1 651 . 1 1 218 218 LYS C C 13 179.65 0.10 . 1 . . . . 218 LYS C . 15067 1 652 . 1 1 218 218 LYS CA C 13 61.30 0.10 . 1 . . . . 218 LYS CA . 15067 1 653 . 1 1 218 218 LYS N N 15 125.58 0.10 . 1 . . . . 218 LYS N . 15067 1 654 . 1 1 219 219 GLU H H 1 8.500 0.010 . 1 . . . . 219 GLU H . 15067 1 655 . 1 1 219 219 GLU C C 13 180.85 0.10 . 1 . . . . 219 GLU C . 15067 1 656 . 1 1 219 219 GLU CA C 13 59.46 0.10 . 1 . . . . 219 GLU CA . 15067 1 657 . 1 1 219 219 GLU N N 15 120.87 0.10 . 1 . . . . 219 GLU N . 15067 1 658 . 1 1 220 220 LEU H H 1 7.696 0.010 . 1 . . . . 220 LEU H . 15067 1 659 . 1 1 220 220 LEU C C 13 177.72 0.10 . 1 . . . . 220 LEU C . 15067 1 660 . 1 1 220 220 LEU CA C 13 58.87 0.10 . 1 . . . . 220 LEU CA . 15067 1 661 . 1 1 220 220 LEU N N 15 120.28 0.10 . 1 . . . . 220 LEU N . 15067 1 662 . 1 1 221 221 ALA H H 1 8.470 0.010 . 1 . . . . 221 ALA H . 15067 1 663 . 1 1 221 221 ALA C C 13 176.84 0.10 . 1 . . . . 221 ALA C . 15067 1 664 . 1 1 221 221 ALA CA C 13 53.79 0.10 . 1 . . . . 221 ALA CA . 15067 1 665 . 1 1 221 221 ALA N N 15 117.39 0.10 . 1 . . . . 221 ALA N . 15067 1 666 . 1 1 222 222 SER H H 1 7.282 0.010 . 1 . . . . 222 SER H . 15067 1 667 . 1 1 222 222 SER C C 13 174.75 0.10 . 1 . . . . 222 SER C . 15067 1 668 . 1 1 222 222 SER CA C 13 59.20 0.10 . 1 . . . . 222 SER CA . 15067 1 669 . 1 1 222 222 SER N N 15 110.32 0.10 . 1 . . . . 222 SER N . 15067 1 670 . 1 1 223 223 GLN H H 1 7.407 0.010 . 1 . . . . 223 GLN H . 15067 1 671 . 1 1 223 223 GLN C C 13 177.33 0.10 . 1 . . . . 223 GLN C . 15067 1 672 . 1 1 223 223 GLN CA C 13 54.97 0.10 . 1 . . . . 223 GLN CA . 15067 1 673 . 1 1 223 223 GLN N N 15 121.68 0.10 . 1 . . . . 223 GLN N . 15067 1 674 . 1 1 224 224 HIS H H 1 8.540 0.010 . 1 . . . . 224 HIS H . 15067 1 675 . 1 1 224 224 HIS C C 13 176.65 0.10 . 1 . . . . 224 HIS C . 15067 1 676 . 1 1 224 224 HIS CA C 13 59.45 0.10 . 1 . . . . 224 HIS CA . 15067 1 677 . 1 1 224 224 HIS N N 15 121.42 0.10 . 1 . . . . 224 HIS N . 15067 1 678 . 1 1 225 225 ASP H H 1 10.16 0.010 . 1 . . . . 225 ASP H . 15067 1 679 . 1 1 225 225 ASP C C 13 174.36 0.10 . 1 . . . . 225 ASP C . 15067 1 680 . 1 1 225 225 ASP CA C 13 54.98 0.10 . 1 . . . . 225 ASP CA . 15067 1 681 . 1 1 225 225 ASP N N 15 115.97 0.10 . 1 . . . . 225 ASP N . 15067 1 682 . 1 1 226 226 VAL H H 1 7.068 0.010 . 1 . . . . 226 VAL H . 15067 1 683 . 1 1 226 226 VAL C C 13 174.71 0.10 . 1 . . . . 226 VAL C . 15067 1 684 . 1 1 226 226 VAL CA C 13 62.99 0.10 . 1 . . . . 226 VAL CA . 15067 1 685 . 1 1 226 226 VAL N N 15 120.42 0.10 . 1 . . . . 226 VAL N . 15067 1 686 . 1 1 227 227 ASP H H 1 8.476 0.010 . 1 . . . . 227 ASP H . 15067 1 687 . 1 1 227 227 ASP C C 13 171.99 0.10 . 1 . . . . 227 ASP C . 15067 1 688 . 1 1 227 227 ASP CA C 13 54.68 0.10 . 1 . . . . 227 ASP CA . 15067 1 689 . 1 1 227 227 ASP N N 15 124.53 0.10 . 1 . . . . 227 ASP N . 15067 1 690 . 1 1 228 228 GLY H H 1 6.936 0.010 . 1 . . . . 228 GLY H . 15067 1 691 . 1 1 228 228 GLY CA C 13 43.25 0.10 . 1 . . . . 228 GLY CA . 15067 1 692 . 1 1 228 228 GLY N N 15 103.47 0.10 . 1 . . . . 228 GLY N . 15067 1 693 . 1 1 230 230 LEU C C 13 174.54 0.10 . 1 . . . . 230 LEU C . 15067 1 694 . 1 1 231 231 VAL H H 1 9.309 0.010 . 1 . . . . 231 VAL H . 15067 1 695 . 1 1 231 231 VAL CA C 13 62.84 0.10 . 1 . . . . 231 VAL CA . 15067 1 696 . 1 1 231 231 VAL N N 15 126.67 0.10 . 1 . . . . 231 VAL N . 15067 1 697 . 1 1 235 235 SER C C 13 173.97 0.10 . 1 . . . . 235 SER C . 15067 1 698 . 1 1 235 235 SER CA C 13 60.67 0.10 . 1 . . . . 235 SER CA . 15067 1 699 . 1 1 236 236 LEU H H 1 6.843 0.010 . 1 . . . . 236 LEU H . 15067 1 700 . 1 1 236 236 LEU C C 13 175.97 0.10 . 1 . . . . 236 LEU C . 15067 1 701 . 1 1 236 236 LEU CA C 13 54.41 0.10 . 1 . . . . 236 LEU CA . 15067 1 702 . 1 1 236 236 LEU N N 15 119.64 0.10 . 1 . . . . 236 LEU N . 15067 1 703 . 1 1 237 237 LYS H H 1 7.346 0.010 . 1 . . . . 237 LYS H . 15067 1 704 . 1 1 237 237 LYS C C 13 175.12 0.10 . 1 . . . . 237 LYS C . 15067 1 705 . 1 1 237 237 LYS CA C 13 54.13 0.10 . 1 . . . . 237 LYS CA . 15067 1 706 . 1 1 237 237 LYS N N 15 119.42 0.10 . 1 . . . . 237 LYS N . 15067 1 707 . 1 1 238 238 PRO C C 13 178.50 0.10 . 1 . . . . 238 PRO C . 15067 1 708 . 1 1 238 238 PRO CA C 13 65.59 0.10 . 1 . . . . 238 PRO CA . 15067 1 709 . 1 1 239 239 GLU H H 1 7.939 0.010 . 1 . . . . 239 GLU H . 15067 1 710 . 1 1 239 239 GLU C C 13 175.98 0.10 . 1 . . . . 239 GLU C . 15067 1 711 . 1 1 239 239 GLU CA C 13 57.97 0.10 . 1 . . . . 239 GLU CA . 15067 1 712 . 1 1 239 239 GLU N N 15 114.92 0.10 . 1 . . . . 239 GLU N . 15067 1 713 . 1 1 240 240 PHE H H 1 8.403 0.010 . 1 . . . . 240 PHE H . 15067 1 714 . 1 1 240 240 PHE C C 13 177.21 0.10 . 1 . . . . 240 PHE C . 15067 1 715 . 1 1 240 240 PHE CA C 13 59.74 0.10 . 1 . . . . 240 PHE CA . 15067 1 716 . 1 1 240 240 PHE N N 15 122.70 0.10 . 1 . . . . 240 PHE N . 15067 1 717 . 1 1 241 241 VAL H H 1 7.607 0.010 . 1 . . . . 241 VAL H . 15067 1 718 . 1 1 241 241 VAL C C 13 176.18 0.10 . 1 . . . . 241 VAL C . 15067 1 719 . 1 1 241 241 VAL CA C 13 66.71 0.10 . 1 . . . . 241 VAL CA . 15067 1 720 . 1 1 241 241 VAL N N 15 115.06 0.10 . 1 . . . . 241 VAL N . 15067 1 721 . 1 1 242 242 ASP H H 1 6.807 0.010 . 1 . . . . 242 ASP H . 15067 1 722 . 1 1 242 242 ASP C C 13 178.36 0.10 . 1 . . . . 242 ASP C . 15067 1 723 . 1 1 242 242 ASP CA C 13 57.36 0.10 . 1 . . . . 242 ASP CA . 15067 1 724 . 1 1 242 242 ASP N N 15 117.85 0.10 . 1 . . . . 242 ASP N . 15067 1 725 . 1 1 243 243 ILE H H 1 7.483 0.010 . 1 . . . . 243 ILE H . 15067 1 726 . 1 1 243 243 ILE C C 13 178.26 0.10 . 1 . . . . 243 ILE C . 15067 1 727 . 1 1 243 243 ILE CA C 13 65.23 0.10 . 1 . . . . 243 ILE CA . 15067 1 728 . 1 1 243 243 ILE N N 15 120.74 0.10 . 1 . . . . 243 ILE N . 15067 1 729 . 1 1 244 244 ILE H H 1 7.795 0.010 . 1 . . . . 244 ILE H . 15067 1 730 . 1 1 244 244 ILE C C 13 176.88 0.10 . 1 . . . . 244 ILE C . 15067 1 731 . 1 1 244 244 ILE CA C 13 65.85 0.10 . 1 . . . . 244 ILE CA . 15067 1 732 . 1 1 244 244 ILE N N 15 120.62 0.10 . 1 . . . . 244 ILE N . 15067 1 733 . 1 1 245 245 ASN H H 1 7.223 0.010 . 1 . . . . 245 ASN H . 15067 1 734 . 1 1 245 245 ASN C C 13 176.55 0.10 . 1 . . . . 245 ASN C . 15067 1 735 . 1 1 245 245 ASN CA C 13 52.96 0.10 . 1 . . . . 245 ASN CA . 15067 1 736 . 1 1 245 245 ASN N N 15 116.62 0.10 . 1 . . . . 245 ASN N . 15067 1 737 . 1 1 246 246 ALA H H 1 7.381 0.010 . 1 . . . . 246 ALA H . 15067 1 738 . 1 1 246 246 ALA C C 13 178.06 0.10 . 1 . . . . 246 ALA C . 15067 1 739 . 1 1 246 246 ALA CA C 13 55.79 0.10 . 1 . . . . 246 ALA CA . 15067 1 740 . 1 1 246 246 ALA N N 15 121.54 0.10 . 1 . . . . 246 ALA N . 15067 1 741 . 1 1 247 247 LYS H H 1 8.517 0.010 . 1 . . . . 247 LYS H . 15067 1 742 . 1 1 247 247 LYS C C 13 175.70 0.10 . 1 . . . . 247 LYS C . 15067 1 743 . 1 1 247 247 LYS CA C 13 55.93 0.10 . 1 . . . . 247 LYS CA . 15067 1 744 . 1 1 247 247 LYS N N 15 115.42 0.10 . 1 . . . . 247 LYS N . 15067 1 745 . 1 1 248 248 HIS H H 1 7.661 0.010 . 1 . . . . 248 HIS H . 15067 1 746 . 1 1 248 248 HIS C C 13 179.41 0.10 . 1 . . . . 248 HIS C . 15067 1 747 . 1 1 248 248 HIS CA C 13 57.23 0.10 . 1 . . . . 248 HIS CA . 15067 1 748 . 1 1 248 248 HIS N N 15 124.86 0.10 . 1 . . . . 248 HIS N . 15067 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_1H15N_ssNOE_600MHz _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 1H15N_ssNOE_600MHz _Heteronucl_NOE_list.Entry_ID 15067 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $standard_conditions _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1.0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 5 '1H-15N ssNOE' . . . 15067 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 4 4 ARG N N 15 . 1 1 4 4 ARG H H 1 -0.159 0.0590 . . . . . . . . . . 15067 1 2 . 1 1 5 5 LYS N N 15 . 1 1 5 5 LYS H H 1 0.918 0.127 . . . . . . . . . . 15067 1 3 . 1 1 6 6 PHE N N 15 . 1 1 6 6 PHE H H 1 0.716 0.0850 . . . . . . . . . . 15067 1 4 . 1 1 8 8 VAL N N 15 . 1 1 8 8 VAL H H 1 0.854 0.170 . . . . . . . . . . 15067 1 5 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.957 0.196 . . . . . . . . . . 15067 1 6 . 1 1 10 10 GLY N N 15 . 1 1 10 10 GLY H H 1 0.828 0.202 . . . . . . . . . . 15067 1 7 . 1 1 11 11 ASN N N 15 . 1 1 11 11 ASN H H 1 0.886 0.154 . . . . . . . . . . 15067 1 8 . 1 1 12 12 TRP N N 15 . 1 1 12 12 TRP H H 1 0.559 0.279 . . . . . . . . . . 15067 1 9 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 1.12 0.209 . . . . . . . . . . 15067 1 10 . 1 1 14 14 MET N N 15 . 1 1 14 14 MET H H 1 0.589 0.141 . . . . . . . . . . 15067 1 11 . 1 1 15 15 ASN N N 15 . 1 1 15 15 ASN H H 1 0.869 0.100 . . . . . . . . . . 15067 1 12 . 1 1 16 16 GLY N N 15 . 1 1 16 16 GLY H H 1 0.875 0.0690 . . . . . . . . . . 15067 1 13 . 1 1 17 17 ASP N N 15 . 1 1 17 17 ASP H H 1 0.742 0.178 . . . . . . . . . . 15067 1 14 . 1 1 18 18 LYS N N 15 . 1 1 18 18 LYS H H 1 0.874 0.182 . . . . . . . . . . 15067 1 15 . 1 1 19 19 LYS N N 15 . 1 1 19 19 LYS H H 1 0.743 0.119 . . . . . . . . . . 15067 1 16 . 1 1 20 20 SER N N 15 . 1 1 20 20 SER H H 1 0.851 0.237 . . . . . . . . . . 15067 1 17 . 1 1 21 21 LEU N N 15 . 1 1 21 21 LEU H H 1 0.862 0.191 . . . . . . . . . . 15067 1 18 . 1 1 22 22 GLY N N 15 . 1 1 22 22 GLY H H 1 0.754 0.144 . . . . . . . . . . 15067 1 19 . 1 1 23 23 GLU N N 15 . 1 1 23 23 GLU H H 1 0.716 0.118 . . . . . . . . . . 15067 1 20 . 1 1 24 24 LEU N N 15 . 1 1 24 24 LEU H H 1 0.628 0.100 . . . . . . . . . . 15067 1 21 . 1 1 26 26 HIS N N 15 . 1 1 26 26 HIS H H 1 0.758 0.111 . . . . . . . . . . 15067 1 22 . 1 1 27 27 THR N N 15 . 1 1 27 27 THR H H 1 0.822 0.172 . . . . . . . . . . 15067 1 23 . 1 1 28 28 LEU N N 15 . 1 1 28 28 LEU H H 1 0.893 0.189 . . . . . . . . . . 15067 1 24 . 1 1 29 29 ASN N N 15 . 1 1 29 29 ASN H H 1 1.03 0.156 . . . . . . . . . . 15067 1 25 . 1 1 30 30 GLY N N 15 . 1 1 30 30 GLY H H 1 0.712 0.120 . . . . . . . . . . 15067 1 26 . 1 1 31 31 ALA N N 15 . 1 1 31 31 ALA H H 1 0.764 0.102 . . . . . . . . . . 15067 1 27 . 1 1 32 32 LYS N N 15 . 1 1 32 32 LYS H H 1 0.684 0.0650 . . . . . . . . . . 15067 1 28 . 1 1 33 33 LEU N N 15 . 1 1 33 33 LEU H H 1 0.580 0.0490 . . . . . . . . . . 15067 1 29 . 1 1 34 34 SER N N 15 . 1 1 34 34 SER H H 1 0.537 0.0860 . . . . . . . . . . 15067 1 30 . 1 1 35 35 ALA N N 15 . 1 1 35 35 ALA H H 1 0.610 0.116 . . . . . . . . . . 15067 1 31 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.707 0.153 . . . . . . . . . . 15067 1 32 . 1 1 37 37 THR N N 15 . 1 1 37 37 THR H H 1 0.639 0.0890 . . . . . . . . . . 15067 1 33 . 1 1 38 38 GLU N N 15 . 1 1 38 38 GLU H H 1 0.732 0.0790 . . . . . . . . . . 15067 1 34 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.736 0.0650 . . . . . . . . . . 15067 1 35 . 1 1 42 42 GLY N N 15 . 1 1 42 42 GLY H H 1 0.694 0.129 . . . . . . . . . . 15067 1 36 . 1 1 43 43 ALA N N 15 . 1 1 43 43 ALA H H 1 0.697 0.143 . . . . . . . . . . 15067 1 37 . 1 1 46 46 ILE N N 15 . 1 1 46 46 ILE H H 1 0.441 0.0720 . . . . . . . . . . 15067 1 38 . 1 1 47 47 TYR N N 15 . 1 1 47 47 TYR H H 1 0.658 0.226 . . . . . . . . . . 15067 1 39 . 1 1 48 48 LEU N N 15 . 1 1 48 48 LEU H H 1 0.762 0.171 . . . . . . . . . . 15067 1 40 . 1 1 49 49 ASP N N 15 . 1 1 49 49 ASP H H 1 1.09 0.322 . . . . . . . . . . 15067 1 41 . 1 1 50 50 PHE N N 15 . 1 1 50 50 PHE H H 1 0.653 0.110 . . . . . . . . . . 15067 1 42 . 1 1 51 51 ALA N N 15 . 1 1 51 51 ALA H H 1 1.04 0.275 . . . . . . . . . . 15067 1 43 . 1 1 52 52 ARG N N 15 . 1 1 52 52 ARG H H 1 0.616 0.180 . . . . . . . . . . 15067 1 44 . 1 1 53 53 GLN N N 15 . 1 1 53 53 GLN H H 1 0.833 0.128 . . . . . . . . . . 15067 1 45 . 1 1 54 54 LYS N N 15 . 1 1 54 54 LYS H H 1 0.825 0.147 . . . . . . . . . . 15067 1 46 . 1 1 55 55 LEU N N 15 . 1 1 55 55 LEU H H 1 0.822 0.156 . . . . . . . . . . 15067 1 47 . 1 1 56 56 ASP N N 15 . 1 1 56 56 ASP H H 1 0.999 0.127 . . . . . . . . . . 15067 1 48 . 1 1 57 57 ALA N N 15 . 1 1 57 57 ALA H H 1 0.797 0.0730 . . . . . . . . . . 15067 1 49 . 1 1 58 58 LYS N N 15 . 1 1 58 58 LYS H H 1 0.627 0.111 . . . . . . . . . . 15067 1 50 . 1 1 59 59 ILE N N 15 . 1 1 59 59 ILE H H 1 0.778 0.0930 . . . . . . . . . . 15067 1 51 . 1 1 60 60 GLY N N 15 . 1 1 60 60 GLY H H 1 0.848 0.0890 . . . . . . . . . . 15067 1 52 . 1 1 61 61 VAL N N 15 . 1 1 61 61 VAL H H 1 0.792 0.113 . . . . . . . . . . 15067 1 53 . 1 1 62 62 ALA N N 15 . 1 1 62 62 ALA H H 1 0.977 0.177 . . . . . . . . . . 15067 1 54 . 1 1 63 63 ALA N N 15 . 1 1 63 63 ALA H H 1 0.948 0.167 . . . . . . . . . . 15067 1 55 . 1 1 64 64 GLN N N 15 . 1 1 64 64 GLN H H 1 0.802 0.201 . . . . . . . . . . 15067 1 56 . 1 1 65 65 ASN N N 15 . 1 1 65 65 ASN H H 1 0.822 0.131 . . . . . . . . . . 15067 1 57 . 1 1 66 66 CYS N N 15 . 1 1 66 66 CYS H H 1 0.997 0.164 . . . . . . . . . . 15067 1 58 . 1 1 67 67 TYR N N 15 . 1 1 67 67 TYR H H 1 0.925 0.198 . . . . . . . . . . 15067 1 59 . 1 1 71 71 LYS N N 15 . 1 1 71 71 LYS H H 1 0.772 0.0930 . . . . . . . . . . 15067 1 60 . 1 1 72 72 GLY N N 15 . 1 1 72 72 GLY H H 1 0.810 0.0980 . . . . . . . . . . 15067 1 61 . 1 1 73 73 ALA N N 15 . 1 1 73 73 ALA H H 1 0.849 0.0780 . . . . . . . . . . 15067 1 62 . 1 1 74 74 PHE N N 15 . 1 1 74 74 PHE H H 1 0.678 0.105 . . . . . . . . . . 15067 1 63 . 1 1 75 75 THR N N 15 . 1 1 75 75 THR H H 1 1.04 0.325 . . . . . . . . . . 15067 1 64 . 1 1 76 76 GLY N N 15 . 1 1 76 76 GLY H H 1 1.01 0.200 . . . . . . . . . . 15067 1 65 . 1 1 77 77 GLU N N 15 . 1 1 77 77 GLU H H 1 0.913 0.186 . . . . . . . . . . 15067 1 66 . 1 1 78 78 ILE N N 15 . 1 1 78 78 ILE H H 1 0.888 0.133 . . . . . . . . . . 15067 1 67 . 1 1 79 79 SER N N 15 . 1 1 79 79 SER H H 1 1.45 0.212 . . . . . . . . . . 15067 1 68 . 1 1 81 81 ALA N N 15 . 1 1 81 81 ALA H H 1 1.33 0.400 . . . . . . . . . . 15067 1 69 . 1 1 82 82 MET N N 15 . 1 1 82 82 MET H H 1 1.06 0.248 . . . . . . . . . . 15067 1 70 . 1 1 84 84 LYS N N 15 . 1 1 84 84 LYS H H 1 0.936 0.198 . . . . . . . . . . 15067 1 71 . 1 1 85 85 ASP N N 15 . 1 1 85 85 ASP H H 1 0.826 0.125 . . . . . . . . . . 15067 1 72 . 1 1 87 87 GLY N N 15 . 1 1 87 87 GLY H H 1 0.943 0.157 . . . . . . . . . . 15067 1 73 . 1 1 88 88 ALA N N 15 . 1 1 88 88 ALA H H 1 0.973 0.178 . . . . . . . . . . 15067 1 74 . 1 1 89 89 ALA N N 15 . 1 1 89 89 ALA H H 1 0.764 0.150 . . . . . . . . . . 15067 1 75 . 1 1 90 90 TRP N N 15 . 1 1 90 90 TRP H H 1 0.710 0.199 . . . . . . . . . . 15067 1 76 . 1 1 94 94 GLY N N 15 . 1 1 94 94 GLY H H 1 1.01 0.324 . . . . . . . . . . 15067 1 77 . 1 1 95 95 HIS N N 15 . 1 1 95 95 HIS H H 1 0.827 0.395 . . . . . . . . . . 15067 1 78 . 1 1 101 101 VAL N N 15 . 1 1 101 101 VAL H H 1 0.829 0.353 . . . . . . . . . . 15067 1 79 . 1 1 102 102 PHE N N 15 . 1 1 102 102 PHE H H 1 3.07 2.97 . . . . . . . . . . 15067 1 80 . 1 1 103 103 GLY N N 15 . 1 1 103 103 GLY H H 1 2.67 1.46 . . . . . . . . . . 15067 1 81 . 1 1 104 104 GLU N N 15 . 1 1 104 104 GLU H H 1 0.869 0.105 . . . . . . . . . . 15067 1 82 . 1 1 105 105 SER N N 15 . 1 1 105 105 SER H H 1 1.04 0.189 . . . . . . . . . . 15067 1 83 . 1 1 106 106 ASP N N 15 . 1 1 106 106 ASP H H 1 0.869 0.149 . . . . . . . . . . 15067 1 84 . 1 1 107 107 GLU N N 15 . 1 1 107 107 GLU H H 1 1.02 0.191 . . . . . . . . . . 15067 1 85 . 1 1 108 108 LEU N N 15 . 1 1 108 108 LEU H H 1 0.909 0.192 . . . . . . . . . . 15067 1 86 . 1 1 109 109 ILE N N 15 . 1 1 109 109 ILE H H 1 1.19 0.286 . . . . . . . . . . 15067 1 87 . 1 1 110 110 GLY N N 15 . 1 1 110 110 GLY H H 1 0.732 0.0920 . . . . . . . . . . 15067 1 88 . 1 1 111 111 GLN N N 15 . 1 1 111 111 GLN H H 1 0.839 0.131 . . . . . . . . . . 15067 1 89 . 1 1 115 115 HIS N N 15 . 1 1 115 115 HIS H H 1 0.820 0.0980 . . . . . . . . . . 15067 1 90 . 1 1 118 118 ALA N N 15 . 1 1 118 118 ALA H H 1 0.935 0.111 . . . . . . . . . . 15067 1 91 . 1 1 119 119 GLU N N 15 . 1 1 119 119 GLU H H 1 0.792 0.132 . . . . . . . . . . 15067 1 92 . 1 1 120 120 GLY N N 15 . 1 1 120 120 GLY H H 1 0.736 0.116 . . . . . . . . . . 15067 1 93 . 1 1 121 121 LEU N N 15 . 1 1 121 121 LEU H H 1 0.637 0.0810 . . . . . . . . . . 15067 1 94 . 1 1 122 122 GLY N N 15 . 1 1 122 122 GLY H H 1 0.800 0.237 . . . . . . . . . . 15067 1 95 . 1 1 123 123 VAL N N 15 . 1 1 123 123 VAL H H 1 0.275 0.384 . . . . . . . . . . 15067 1 96 . 1 1 130 130 LYS N N 15 . 1 1 130 130 LYS H H 1 0.938 0.623 . . . . . . . . . . 15067 1 97 . 1 1 149 149 ALA N N 15 . 1 1 149 149 ALA H H 1 0.707 0.111 . . . . . . . . . . 15067 1 98 . 1 1 150 150 ILE N N 15 . 1 1 150 150 ILE H H 1 1.15 0.351 . . . . . . . . . . 15067 1 99 . 1 1 151 151 ALA N N 15 . 1 1 151 151 ALA H H 1 1.33 2.88 . . . . . . . . . . 15067 1 100 . 1 1 152 152 ASP N N 15 . 1 1 152 152 ASP H H 1 0.710 0.109 . . . . . . . . . . 15067 1 101 . 1 1 153 153 ASN N N 15 . 1 1 153 153 ASN H H 1 1.11 0.282 . . . . . . . . . . 15067 1 102 . 1 1 154 154 VAL N N 15 . 1 1 154 154 VAL H H 1 0.783 0.112 . . . . . . . . . . 15067 1 103 . 1 1 156 156 ASP N N 15 . 1 1 156 156 ASP H H 1 0.119 0.116 . . . . . . . . . . 15067 1 104 . 1 1 157 157 TRP N N 15 . 1 1 157 157 TRP H H 1 0.719 0.237 . . . . . . . . . . 15067 1 105 . 1 1 158 158 SER N N 15 . 1 1 158 158 SER H H 1 0.796 0.186 . . . . . . . . . . 15067 1 106 . 1 1 159 159 LYS N N 15 . 1 1 159 159 LYS H H 1 0.560 0.208 . . . . . . . . . . 15067 1 107 . 1 1 160 160 VAL N N 15 . 1 1 160 160 VAL H H 1 0.812 0.109 . . . . . . . . . . 15067 1 108 . 1 1 165 165 GLU N N 15 . 1 1 165 165 GLU H H 1 0.316 0.292 . . . . . . . . . . 15067 1 109 . 1 1 167 167 GLY N N 15 . 1 1 167 167 GLY H H 1 -3.50 7.95 . . . . . . . . . . 15067 1 110 . 1 1 168 168 GLY N N 15 . 1 1 168 168 GLY H H 1 0.456 0.187 . . . . . . . . . . 15067 1 111 . 1 1 169 169 ALA N N 15 . 1 1 169 169 ALA H H 1 0.365 0.228 . . . . . . . . . . 15067 1 112 . 1 1 170 170 ILE N N 15 . 1 1 170 170 ILE H H 1 0.605 0.211 . . . . . . . . . . 15067 1 113 . 1 1 172 172 THR N N 15 . 1 1 172 172 THR H H 1 0.232 0.0790 . . . . . . . . . . 15067 1 114 . 1 1 173 173 GLY N N 15 . 1 1 173 173 GLY H H 1 0.362 0.100 . . . . . . . . . . 15067 1 115 . 1 1 174 174 GLY N N 15 . 1 1 174 174 GLY H H 1 -0.204 0.422 . . . . . . . . . . 15067 1 116 . 1 1 175 175 GLY N N 15 . 1 1 175 175 GLY H H 1 0.271 0.0240 . . . . . . . . . . 15067 1 117 . 1 1 176 176 GLY N N 15 . 1 1 176 176 GLY H H 1 0.391 0.110 . . . . . . . . . . 15067 1 118 . 1 1 177 177 THR N N 15 . 1 1 177 177 THR H H 1 0.579 0.129 . . . . . . . . . . 15067 1 119 . 1 1 179 179 GLN N N 15 . 1 1 179 179 GLN H H 1 0.874 0.262 . . . . . . . . . . 15067 1 120 . 1 1 180 180 GLN N N 15 . 1 1 180 180 GLN H H 1 0.871 0.0980 . . . . . . . . . . 15067 1 121 . 1 1 181 181 ALA N N 15 . 1 1 181 181 ALA H H 1 0.461 0.877 . . . . . . . . . . 15067 1 122 . 1 1 182 182 GLN N N 15 . 1 1 182 182 GLN H H 1 0.858 0.157 . . . . . . . . . . 15067 1 123 . 1 1 183 183 GLU N N 15 . 1 1 183 183 GLU H H 1 1.05 0.228 . . . . . . . . . . 15067 1 124 . 1 1 185 185 HIS N N 15 . 1 1 185 185 HIS H H 1 1.05 0.227 . . . . . . . . . . 15067 1 125 . 1 1 186 186 GLU N N 15 . 1 1 186 186 GLU H H 1 0.659 0.141 . . . . . . . . . . 15067 1 126 . 1 1 187 187 LYS N N 15 . 1 1 187 187 LYS H H 1 0.870 0.281 . . . . . . . . . . 15067 1 127 . 1 1 188 188 LEU N N 15 . 1 1 188 188 LEU H H 1 0.959 0.264 . . . . . . . . . . 15067 1 128 . 1 1 189 189 ARG N N 15 . 1 1 189 189 ARG H H 1 0.895 0.145 . . . . . . . . . . 15067 1 129 . 1 1 190 190 GLY N N 15 . 1 1 190 190 GLY H H 1 1.50 0.620 . . . . . . . . . . 15067 1 130 . 1 1 191 191 TRP N N 15 . 1 1 191 191 TRP H H 1 0.829 0.227 . . . . . . . . . . 15067 1 131 . 1 1 193 193 LYS N N 15 . 1 1 193 193 LYS H H 1 1.13 0.361 . . . . . . . . . . 15067 1 132 . 1 1 194 194 SER N N 15 . 1 1 194 194 SER H H 1 0.717 0.172 . . . . . . . . . . 15067 1 133 . 1 1 195 195 HIS N N 15 . 1 1 195 195 HIS H H 1 0.912 0.276 . . . . . . . . . . 15067 1 134 . 1 1 196 196 VAL N N 15 . 1 1 196 196 VAL H H 1 0.742 0.185 . . . . . . . . . . 15067 1 135 . 1 1 197 197 SER N N 15 . 1 1 197 197 SER H H 1 0.676 0.117 . . . . . . . . . . 15067 1 136 . 1 1 198 198 ASP N N 15 . 1 1 198 198 ASP H H 1 0.846 0.337 . . . . . . . . . . 15067 1 137 . 1 1 199 199 ALA N N 15 . 1 1 199 199 ALA H H 1 0.834 0.173 . . . . . . . . . . 15067 1 138 . 1 1 200 200 VAL N N 15 . 1 1 200 200 VAL H H 1 0.848 0.122 . . . . . . . . . . 15067 1 139 . 1 1 201 201 ALA N N 15 . 1 1 201 201 ALA H H 1 0.882 0.196 . . . . . . . . . . 15067 1 140 . 1 1 202 202 GLN N N 15 . 1 1 202 202 GLN H H 1 0.918 0.182 . . . . . . . . . . 15067 1 141 . 1 1 203 203 SER N N 15 . 1 1 203 203 SER H H 1 0.694 0.254 . . . . . . . . . . 15067 1 142 . 1 1 204 204 THR N N 15 . 1 1 204 204 THR H H 1 0.707 0.208 . . . . . . . . . . 15067 1 143 . 1 1 205 205 ARG N N 15 . 1 1 205 205 ARG H H 1 1.07 0.179 . . . . . . . . . . 15067 1 144 . 1 1 209 209 GLY N N 15 . 1 1 209 209 GLY H H 1 0.702 0.271 . . . . . . . . . . 15067 1 145 . 1 1 213 213 THR N N 15 . 1 1 213 213 THR H H 1 0.938 0.155 . . . . . . . . . . 15067 1 146 . 1 1 214 214 GLY N N 15 . 1 1 214 214 GLY H H 1 0.788 0.136 . . . . . . . . . . 15067 1 147 . 1 1 215 215 GLY N N 15 . 1 1 215 215 GLY H H 1 0.766 0.207 . . . . . . . . . . 15067 1 148 . 1 1 216 216 ASN N N 15 . 1 1 216 216 ASN H H 1 0.517 0.216 . . . . . . . . . . 15067 1 149 . 1 1 217 217 CYS N N 15 . 1 1 217 217 CYS H H 1 0.638 0.274 . . . . . . . . . . 15067 1 150 . 1 1 218 218 LYS N N 15 . 1 1 218 218 LYS H H 1 0.722 0.123 . . . . . . . . . . 15067 1 151 . 1 1 219 219 GLU N N 15 . 1 1 219 219 GLU H H 1 0.639 0.124 . . . . . . . . . . 15067 1 152 . 1 1 220 220 LEU N N 15 . 1 1 220 220 LEU H H 1 0.592 0.296 . . . . . . . . . . 15067 1 153 . 1 1 221 221 ALA N N 15 . 1 1 221 221 ALA H H 1 0.827 0.187 . . . . . . . . . . 15067 1 154 . 1 1 222 222 SER N N 15 . 1 1 222 222 SER H H 1 1.04 0.257 . . . . . . . . . . 15067 1 155 . 1 1 223 223 GLN N N 15 . 1 1 223 223 GLN H H 1 0.745 0.108 . . . . . . . . . . 15067 1 156 . 1 1 224 224 HIS N N 15 . 1 1 224 224 HIS H H 1 0.745 0.0850 . . . . . . . . . . 15067 1 157 . 1 1 226 226 VAL N N 15 . 1 1 226 226 VAL H H 1 0.748 0.109 . . . . . . . . . . 15067 1 158 . 1 1 227 227 ASP N N 15 . 1 1 227 227 ASP H H 1 0.922 0.282 . . . . . . . . . . 15067 1 159 . 1 1 228 228 GLY N N 15 . 1 1 228 228 GLY H H 1 1.53 0.799 . . . . . . . . . . 15067 1 160 . 1 1 231 231 VAL N N 15 . 1 1 231 231 VAL H H 1 0.720 0.204 . . . . . . . . . . 15067 1 161 . 1 1 236 236 LEU N N 15 . 1 1 236 236 LEU H H 1 0.831 0.185 . . . . . . . . . . 15067 1 162 . 1 1 237 237 LYS N N 15 . 1 1 237 237 LYS H H 1 0.732 0.116 . . . . . . . . . . 15067 1 163 . 1 1 239 239 GLU N N 15 . 1 1 239 239 GLU H H 1 0.569 0.0810 . . . . . . . . . . 15067 1 164 . 1 1 240 240 PHE N N 15 . 1 1 240 240 PHE H H 1 0.778 0.0990 . . . . . . . . . . 15067 1 165 . 1 1 241 241 VAL N N 15 . 1 1 241 241 VAL H H 1 0.871 0.0910 . . . . . . . . . . 15067 1 166 . 1 1 242 242 ASP N N 15 . 1 1 242 242 ASP H H 1 0.918 0.209 . . . . . . . . . . 15067 1 167 . 1 1 243 243 ILE N N 15 . 1 1 243 243 ILE H H 1 0.919 0.234 . . . . . . . . . . 15067 1 168 . 1 1 244 244 ILE N N 15 . 1 1 244 244 ILE H H 1 0.930 0.198 . . . . . . . . . . 15067 1 169 . 1 1 245 245 ASN N N 15 . 1 1 245 245 ASN H H 1 0.803 0.154 . . . . . . . . . . 15067 1 170 . 1 1 246 246 ALA N N 15 . 1 1 246 246 ALA H H 1 0.720 0.100 . . . . . . . . . . 15067 1 171 . 1 1 247 247 LYS N N 15 . 1 1 247 247 LYS H H 1 0.725 0.148 . . . . . . . . . . 15067 1 172 . 1 1 248 248 HIS N N 15 . 1 1 248 248 HIS H H 1 0.342 0.0490 . . . . . . . . . . 15067 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_15N_T1_600MHz _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode 15N_T1_600MHz _Heteronucl_T1_list.Entry_ID 15067 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $standard_conditions _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 6 '1H-15N T1' . . . 15067 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 4 4 ARG N N 15 1.738 0.00100 . . . . . 15067 1 2 . 1 1 5 5 LYS N N 15 2.288 0.00400 . . . . . 15067 1 3 . 1 1 6 6 PHE N N 15 2.480 0.00500 . . . . . 15067 1 4 . 1 1 8 8 VAL N N 15 2.979 0.0330 . . . . . 15067 1 5 . 1 1 9 9 GLY N N 15 2.865 0.0320 . . . . . 15067 1 6 . 1 1 10 10 GLY N N 15 2.543 0.0390 . . . . . 15067 1 7 . 1 1 11 11 ASN N N 15 3.587 0.0280 . . . . . 15067 1 8 . 1 1 12 12 TRP N N 15 1.910 0.0970 . . . . . 15067 1 9 . 1 1 13 13 LYS N N 15 4.790 0.140 . . . . . 15067 1 10 . 1 1 14 14 MET N N 15 3.533 0.0790 . . . . . 15067 1 11 . 1 1 15 15 ASN N N 15 2.664 0.00800 . . . . . 15067 1 12 . 1 1 16 16 GLY N N 15 2.761 0.00200 . . . . . 15067 1 13 . 1 1 17 17 ASP N N 15 2.735 0.0140 . . . . . 15067 1 14 . 1 1 18 18 LYS N N 15 2.921 0.0240 . . . . . 15067 1 15 . 1 1 19 19 LYS N N 15 3.010 0.0100 . . . . . 15067 1 16 . 1 1 20 20 SER N N 15 2.621 0.0460 . . . . . 15067 1 17 . 1 1 21 21 LEU N N 15 3.841 0.0560 . . . . . 15067 1 18 . 1 1 22 22 GLY N N 15 2.739 0.0200 . . . . . 15067 1 19 . 1 1 23 23 GLU N N 15 2.678 0.0140 . . . . . 15067 1 20 . 1 1 24 24 LEU N N 15 2.403 0.0110 . . . . . 15067 1 21 . 1 1 26 26 HIS N N 15 2.753 0.0120 . . . . . 15067 1 22 . 1 1 27 27 THR N N 15 3.140 0.0230 . . . . . 15067 1 23 . 1 1 28 28 LEU N N 15 2.373 0.0180 . . . . . 15067 1 24 . 1 1 29 29 ASN N N 15 2.623 0.0160 . . . . . 15067 1 25 . 1 1 30 30 GLY N N 15 2.599 0.0230 . . . . . 15067 1 26 . 1 1 31 31 ALA N N 15 2.649 0.0100 . . . . . 15067 1 27 . 1 1 32 32 LYS N N 15 2.375 0.00200 . . . . . 15067 1 28 . 1 1 33 33 LEU N N 15 2.382 0.00100 . . . . . 15067 1 29 . 1 1 34 34 SER N N 15 2.284 0.00600 . . . . . 15067 1 30 . 1 1 35 35 ALA N N 15 2.372 0.00900 . . . . . 15067 1 31 . 1 1 36 36 ASP N N 15 2.167 0.0110 . . . . . 15067 1 32 . 1 1 37 37 THR N N 15 2.146 0.00500 . . . . . 15067 1 33 . 1 1 38 38 GLU N N 15 2.221 0.00400 . . . . . 15067 1 34 . 1 1 39 39 VAL N N 15 2.382 0.00200 . . . . . 15067 1 35 . 1 1 42 42 GLY N N 15 3.172 0.0230 . . . . . 15067 1 36 . 1 1 43 43 ALA N N 15 2.486 0.0280 . . . . . 15067 1 37 . 1 1 46 46 ILE N N 15 2.095 0.0160 . . . . . 15067 1 38 . 1 1 47 47 TYR N N 15 2.299 0.0850 . . . . . 15067 1 39 . 1 1 48 48 LEU N N 15 2.599 0.0480 . . . . . 15067 1 40 . 1 1 49 49 ASP N N 15 2.701 0.0480 . . . . . 15067 1 41 . 1 1 50 50 PHE N N 15 2.416 0.0120 . . . . . 15067 1 42 . 1 1 51 51 ALA N N 15 2.329 0.0450 . . . . . 15067 1 43 . 1 1 52 52 ARG N N 15 2.910 0.0440 . . . . . 15067 1 44 . 1 1 53 53 GLN N N 15 2.960 0.0170 . . . . . 15067 1 45 . 1 1 54 54 LYS N N 15 2.535 0.0230 . . . . . 15067 1 46 . 1 1 55 55 LEU N N 15 2.388 0.0200 . . . . . 15067 1 47 . 1 1 56 56 ASP N N 15 2.475 0.00800 . . . . . 15067 1 48 . 1 1 57 57 ALA N N 15 2.402 0.00300 . . . . . 15067 1 49 . 1 1 58 58 LYS N N 15 2.255 0.0110 . . . . . 15067 1 50 . 1 1 59 59 ILE N N 15 2.354 0.00700 . . . . . 15067 1 51 . 1 1 60 60 GLY N N 15 2.505 0.00400 . . . . . 15067 1 52 . 1 1 61 61 VAL N N 15 2.425 0.00900 . . . . . 15067 1 53 . 1 1 62 62 ALA N N 15 2.098 0.0120 . . . . . 15067 1 54 . 1 1 63 63 ALA N N 15 1.929 0.194 . . . . . 15067 1 55 . 1 1 64 64 GLN N N 15 2.300 0.0520 . . . . . 15067 1 56 . 1 1 65 65 ASN N N 15 2.846 0.0170 . . . . . 15067 1 57 . 1 1 66 66 CYS N N 15 2.252 0.0120 . . . . . 15067 1 58 . 1 1 67 67 TYR N N 15 2.078 0.0290 . . . . . 15067 1 59 . 1 1 71 71 LYS N N 15 2.391 0.00700 . . . . . 15067 1 60 . 1 1 72 72 GLY N N 15 2.427 0.00900 . . . . . 15067 1 61 . 1 1 73 73 ALA N N 15 2.369 0.00300 . . . . . 15067 1 62 . 1 1 74 74 PHE N N 15 2.448 0.203 . . . . . 15067 1 63 . 1 1 75 75 THR N N 15 2.011 0.0880 . . . . . 15067 1 64 . 1 1 76 76 GLY N N 15 2.359 0.0260 . . . . . 15067 1 65 . 1 1 77 77 GLU N N 15 2.417 0.0260 . . . . . 15067 1 66 . 1 1 78 78 ILE N N 15 2.789 0.0110 . . . . . 15067 1 67 . 1 1 79 79 SER N N 15 3.635 0.0360 . . . . . 15067 1 68 . 1 1 81 81 ALA N N 15 2.039 0.0470 . . . . . 15067 1 69 . 1 1 82 82 MET N N 15 2.180 0.176 . . . . . 15067 1 70 . 1 1 84 84 LYS N N 15 2.752 0.0310 . . . . . 15067 1 71 . 1 1 85 85 ASP N N 15 2.743 0.0130 . . . . . 15067 1 72 . 1 1 87 87 GLY N N 15 2.692 0.0240 . . . . . 15067 1 73 . 1 1 88 88 ALA N N 15 2.974 0.0270 . . . . . 15067 1 74 . 1 1 89 89 ALA N N 15 2.749 0.0220 . . . . . 15067 1 75 . 1 1 90 90 TRP N N 15 2.200 0.0420 . . . . . 15067 1 76 . 1 1 94 94 GLY N N 15 4.318 0.158 . . . . . 15067 1 77 . 1 1 95 95 HIS N N 15 2.217 0.299 . . . . . 15067 1 78 . 1 1 101 101 VAL N N 15 2.438 0.514 . . . . . 15067 1 79 . 1 1 102 102 PHE N N 15 1.713 0.0910 . . . . . 15067 1 80 . 1 1 103 103 GLY N N 15 2.285 0.0420 . . . . . 15067 1 81 . 1 1 104 104 GLU N N 15 1.932 0.134 . . . . . 15067 1 82 . 1 1 105 105 SER N N 15 2.785 0.0100 . . . . . 15067 1 83 . 1 1 106 106 ASP N N 15 2.293 0.0110 . . . . . 15067 1 84 . 1 1 107 107 GLU N N 15 2.388 0.0140 . . . . . 15067 1 85 . 1 1 108 108 LEU N N 15 2.319 0.0180 . . . . . 15067 1 86 . 1 1 109 109 ILE N N 15 2.402 0.0290 . . . . . 15067 1 87 . 1 1 110 110 GLY N N 15 2.675 0.0120 . . . . . 15067 1 88 . 1 1 111 111 GLN N N 15 2.117 0.114 . . . . . 15067 1 89 . 1 1 115 115 HIS N N 15 2.552 0.00600 . . . . . 15067 1 90 . 1 1 118 118 ALA N N 15 2.528 0.00700 . . . . . 15067 1 91 . 1 1 119 119 GLU N N 15 3.098 0.0220 . . . . . 15067 1 92 . 1 1 120 120 GLY N N 15 2.441 0.0210 . . . . . 15067 1 93 . 1 1 121 121 LEU N N 15 2.288 0.163 . . . . . 15067 1 94 . 1 1 122 122 GLY N N 15 2.473 0.0340 . . . . . 15067 1 95 . 1 1 123 123 VAL N N 15 0.9140 16.9 . . . . . 15067 1 96 . 1 1 130 130 LYS N N 15 2.635 0.660 . . . . . 15067 1 97 . 1 1 149 149 ALA N N 15 2.131 0.0170 . . . . . 15067 1 98 . 1 1 150 150 ILE N N 15 2.927 0.0590 . . . . . 15067 1 99 . 1 1 151 151 ALA N N 15 1.080 0.552 . . . . . 15067 1 100 . 1 1 152 152 ASP N N 15 2.183 0.0130 . . . . . 15067 1 101 . 1 1 153 153 ASN N N 15 2.324 0.0340 . . . . . 15067 1 102 . 1 1 154 154 VAL N N 15 2.576 0.188 . . . . . 15067 1 103 . 1 1 156 156 ASP N N 15 2.589 0.0210 . . . . . 15067 1 104 . 1 1 157 157 TRP N N 15 2.301 0.0240 . . . . . 15067 1 105 . 1 1 158 158 SER N N 15 2.044 0.0340 . . . . . 15067 1 106 . 1 1 159 159 LYS N N 15 1.896 0.0230 . . . . . 15067 1 107 . 1 1 160 160 VAL N N 15 2.763 0.223 . . . . . 15067 1 108 . 1 1 165 165 GLU N N 15 1.731 0.270 . . . . . 15067 1 109 . 1 1 167 167 GLY N N 15 0.6080 7.39 . . . . . 15067 1 110 . 1 1 168 168 GLY N N 15 1.439 0.0350 . . . . . 15067 1 111 . 1 1 169 169 ALA N N 15 1.568 0.233 . . . . . 15067 1 112 . 1 1 170 170 ILE N N 15 1.668 0.0450 . . . . . 15067 1 113 . 1 1 172 172 THR N N 15 1.015 0.0160 . . . . . 15067 1 114 . 1 1 173 173 GLY N N 15 0.8050 0.0530 . . . . . 15067 1 115 . 1 1 174 174 GLY N N 15 0.5190 5.39 . . . . . 15067 1 116 . 1 1 175 175 GLY N N 15 0.9170 0.00100 . . . . . 15067 1 117 . 1 1 176 176 GLY N N 15 0.9210 0.0220 . . . . . 15067 1 118 . 1 1 177 177 THR N N 15 1.571 0.0730 . . . . . 15067 1 119 . 1 1 179 179 GLN N N 15 2.005 0.0390 . . . . . 15067 1 120 . 1 1 180 180 GLN N N 15 2.445 0.00800 . . . . . 15067 1 121 . 1 1 181 181 ALA N N 15 1.315 0.478 . . . . . 15067 1 122 . 1 1 182 182 GLN N N 15 2.336 0.201 . . . . . 15067 1 123 . 1 1 183 183 GLU N N 15 2.319 0.0230 . . . . . 15067 1 124 . 1 1 185 185 HIS N N 15 2.439 0.0220 . . . . . 15067 1 125 . 1 1 186 186 GLU N N 15 2.576 0.0340 . . . . . 15067 1 126 . 1 1 187 187 LYS N N 15 1.635 0.0650 . . . . . 15067 1 127 . 1 1 188 188 LEU N N 15 2.480 0.0520 . . . . . 15067 1 128 . 1 1 189 189 ARG N N 15 2.633 0.0200 . . . . . 15067 1 129 . 1 1 190 190 GLY N N 15 2.081 0.0790 . . . . . 15067 1 130 . 1 1 191 191 TRP N N 15 1.980 0.0410 . . . . . 15067 1 131 . 1 1 193 193 LYS N N 15 2.407 0.0440 . . . . . 15067 1 132 . 1 1 194 194 SER N N 15 2.628 0.0330 . . . . . 15067 1 133 . 1 1 195 195 HIS N N 15 2.091 0.0620 . . . . . 15067 1 134 . 1 1 196 196 VAL N N 15 2.549 0.0290 . . . . . 15067 1 135 . 1 1 197 197 SER N N 15 2.281 0.0110 . . . . . 15067 1 136 . 1 1 198 198 ASP N N 15 2.216 0.0860 . . . . . 15067 1 137 . 1 1 199 199 ALA N N 15 2.313 0.0140 . . . . . 15067 1 138 . 1 1 200 200 VAL N N 15 2.406 0.0110 . . . . . 15067 1 139 . 1 1 201 201 ALA N N 15 2.225 0.0180 . . . . . 15067 1 140 . 1 1 202 202 GLN N N 15 2.226 0.0190 . . . . . 15067 1 141 . 1 1 203 203 SER N N 15 2.824 0.112 . . . . . 15067 1 142 . 1 1 204 204 THR N N 15 3.324 0.0740 . . . . . 15067 1 143 . 1 1 205 205 ARG N N 15 2.791 0.0160 . . . . . 15067 1 144 . 1 1 209 209 GLY N N 15 2.163 0.175 . . . . . 15067 1 145 . 1 1 213 213 THR N N 15 2.680 0.0150 . . . . . 15067 1 146 . 1 1 214 214 GLY N N 15 2.540 0.0120 . . . . . 15067 1 147 . 1 1 215 215 GLY N N 15 2.260 0.0320 . . . . . 15067 1 148 . 1 1 216 216 ASN N N 15 2.562 0.513 . . . . . 15067 1 149 . 1 1 217 217 CYS N N 15 2.764 0.717 . . . . . 15067 1 150 . 1 1 218 218 LYS N N 15 2.111 0.0110 . . . . . 15067 1 151 . 1 1 219 219 GLU N N 15 2.512 0.0110 . . . . . 15067 1 152 . 1 1 220 220 LEU N N 15 2.356 0.0700 . . . . . 15067 1 153 . 1 1 221 221 ALA N N 15 2.651 0.0340 . . . . . 15067 1 154 . 1 1 222 222 SER N N 15 2.464 0.0320 . . . . . 15067 1 155 . 1 1 223 223 GLN N N 15 3.060 0.0130 . . . . . 15067 1 156 . 1 1 224 224 HIS N N 15 2.330 0.00500 . . . . . 15067 1 157 . 1 1 226 226 VAL N N 15 2.772 0.196 . . . . . 15067 1 158 . 1 1 227 227 ASP N N 15 2.364 0.0530 . . . . . 15067 1 159 . 1 1 228 228 GLY N N 15 2.354 0.0840 . . . . . 15067 1 160 . 1 1 231 231 VAL N N 15 2.138 0.0860 . . . . . 15067 1 161 . 1 1 236 236 LEU N N 15 1.929 0.0280 . . . . . 15067 1 162 . 1 1 237 237 LYS N N 15 2.461 0.0150 . . . . . 15067 1 163 . 1 1 239 239 GLU N N 15 2.382 0.00600 . . . . . 15067 1 164 . 1 1 240 240 PHE N N 15 2.239 0.00900 . . . . . 15067 1 165 . 1 1 241 241 VAL N N 15 2.481 0.00900 . . . . . 15067 1 166 . 1 1 242 242 ASP N N 15 2.451 0.322 . . . . . 15067 1 167 . 1 1 243 243 ILE N N 15 2.986 0.0630 . . . . . 15067 1 168 . 1 1 244 244 ILE N N 15 2.765 0.0260 . . . . . 15067 1 169 . 1 1 245 245 ASN N N 15 2.489 0.188 . . . . . 15067 1 170 . 1 1 246 246 ALA N N 15 3.179 0.0140 . . . . . 15067 1 171 . 1 1 247 247 LYS N N 15 2.275 0.0120 . . . . . 15067 1 172 . 1 1 248 248 HIS N N 15 1.206 0.00300 . . . . . 15067 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_15N_T2_600MHz _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode 15N_T2_600MHz _Heteronucl_T2_list.Entry_ID 15067 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $standard_conditions _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type Nx _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units s-1 _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 7 '1H-15N T2' . . . 15067 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 4 4 ARG N N 15 0.04302 0.000010 . . . . . . . 15067 1 2 . 1 1 5 5 LYS N N 15 0.02736 0.000020 . . . . . . . 15067 1 3 . 1 1 6 6 PHE N N 15 0.02352 0.000010 . . . . . . . 15067 1 4 . 1 1 8 8 VAL N N 15 0.02693 0.000070 . . . . . . . 15067 1 5 . 1 1 9 9 GLY N N 15 0.02055 0.000060 . . . . . . . 15067 1 6 . 1 1 10 10 GLY N N 15 0.02818 0.00011 . . . . . . . 15067 1 7 . 1 1 11 11 ASN N N 15 0.02533 0.000070 . . . . . . . 15067 1 8 . 1 1 12 12 TRP N N 15 0.03480 0.00065 . . . . . . . 15067 1 9 . 1 1 13 13 LYS N N 15 0.02702 0.00020 . . . . . . . 15067 1 10 . 1 1 14 14 MET N N 15 0.02266 0.00013 . . . . . . . 15067 1 11 . 1 1 15 15 ASN N N 15 0.02555 0.000030 . . . . . . . 15067 1 12 . 1 1 16 16 GLY N N 15 0.02981 0.000010 . . . . . . . 15067 1 13 . 1 1 17 17 ASP N N 15 0.02627 0.000060 . . . . . . . 15067 1 14 . 1 1 18 18 LYS N N 15 0.02248 0.000080 . . . . . . . 15067 1 15 . 1 1 19 19 LYS N N 15 0.02102 0.000020 . . . . . . . 15067 1 16 . 1 1 20 20 SER N N 15 0.02151 0.00013 . . . . . . . 15067 1 17 . 1 1 21 21 LEU N N 15 0.01994 0.00010 . . . . . . . 15067 1 18 . 1 1 22 22 GLY N N 15 0.02709 0.000070 . . . . . . . 15067 1 19 . 1 1 23 23 GLU N N 15 0.02290 0.000050 . . . . . . . 15067 1 20 . 1 1 24 24 LEU N N 15 0.02228 0.000040 . . . . . . . 15067 1 21 . 1 1 26 26 HIS N N 15 0.02230 0.000030 . . . . . . . 15067 1 22 . 1 1 27 27 THR N N 15 0.02323 0.000070 . . . . . . . 15067 1 23 . 1 1 28 28 LEU N N 15 0.02378 0.000070 . . . . . . . 15067 1 24 . 1 1 29 29 ASN N N 15 0.02371 0.000060 . . . . . . . 15067 1 25 . 1 1 30 30 GLY N N 15 0.02601 0.000070 . . . . . . . 15067 1 26 . 1 1 31 31 ALA N N 15 0.02440 0.000030 . . . . . . . 15067 1 27 . 1 1 32 32 LYS N N 15 0.03268 0.000010 . . . . . . . 15067 1 28 . 1 1 33 33 LEU N N 15 0.03034 0 . . . . . . . 15067 1 29 . 1 1 34 34 SER N N 15 0.03066 0.000030 . . . . . . . 15067 1 30 . 1 1 35 35 ALA N N 15 0.02761 0.000040 . . . . . . . 15067 1 31 . 1 1 36 36 ASP N N 15 0.02834 0.000050 . . . . . . . 15067 1 32 . 1 1 37 37 THR N N 15 0.02861 0.000020 . . . . . . . 15067 1 33 . 1 1 38 38 GLU N N 15 0.02597 0.000020 . . . . . . . 15067 1 34 . 1 1 39 39 VAL N N 15 0.02458 0.000010 . . . . . . . 15067 1 35 . 1 1 42 42 GLY N N 15 0.02860 0.000050 . . . . . . . 15067 1 36 . 1 1 43 43 ALA N N 15 0.02336 0.000060 . . . . . . . 15067 1 37 . 1 1 46 46 ILE N N 15 0.02523 0.0025 . . . . . . . 15067 1 38 . 1 1 47 47 TYR N N 15 0.02129 0.00021 . . . . . . . 15067 1 39 . 1 1 48 48 LEU N N 15 0.02460 0.00016 . . . . . . . 15067 1 40 . 1 1 49 49 ASP N N 15 0.01952 0.00018 . . . . . . . 15067 1 41 . 1 1 50 50 PHE N N 15 0.02445 0.000040 . . . . . . . 15067 1 42 . 1 1 51 51 ALA N N 15 0.01852 0.00015 . . . . . . . 15067 1 43 . 1 1 52 52 ARG N N 15 0.02985 0.00024 . . . . . . . 15067 1 44 . 1 1 53 53 GLN N N 15 0.02448 0.000050 . . . . . . . 15067 1 45 . 1 1 54 54 LYS N N 15 0.02582 0.000070 . . . . . . . 15067 1 46 . 1 1 55 55 LEU N N 15 0.02495 0.000070 . . . . . . . 15067 1 47 . 1 1 56 56 ASP N N 15 0.02710 0.000030 . . . . . . . 15067 1 48 . 1 1 57 57 ALA N N 15 0.02540 0.000010 . . . . . . . 15067 1 49 . 1 1 58 58 LYS N N 15 0.02786 0.000040 . . . . . . . 15067 1 50 . 1 1 59 59 ILE N N 15 0.02457 0.000030 . . . . . . . 15067 1 51 . 1 1 60 60 GLY N N 15 0.02489 0.000010 . . . . . . . 15067 1 52 . 1 1 61 61 VAL N N 15 0.02608 0.000030 . . . . . . . 15067 1 53 . 1 1 62 62 ALA N N 15 0.03179 0.000050 . . . . . . . 15067 1 54 . 1 1 63 63 ALA N N 15 0.02619 0.000040 . . . . . . . 15067 1 55 . 1 1 64 64 GLN N N 15 0.02340 0.00020 . . . . . . . 15067 1 56 . 1 1 65 65 ASN N N 15 0.02183 0.000040 . . . . . . . 15067 1 57 . 1 1 66 66 CYS N N 15 0.02422 0.000040 . . . . . . . 15067 1 58 . 1 1 67 67 TYR N N 15 0.02452 0.00012 . . . . . . . 15067 1 59 . 1 1 71 71 LYS N N 15 0.02515 0.000020 . . . . . . . 15067 1 60 . 1 1 72 72 GLY N N 15 0.02700 0.000030 . . . . . . . 15067 1 61 . 1 1 73 73 ALA N N 15 0.02703 0.000010 . . . . . . . 15067 1 62 . 1 1 74 74 PHE N N 15 0.02698 0.000060 . . . . . . . 15067 1 63 . 1 1 75 75 THR N N 15 0.02046 0.00029 . . . . . . . 15067 1 64 . 1 1 76 76 GLY N N 15 0.02412 0.0022 . . . . . . . 15067 1 65 . 1 1 77 77 GLU N N 15 0.02134 0.000060 . . . . . . . 15067 1 66 . 1 1 78 78 ILE N N 15 0.02511 0.000040 . . . . . . . 15067 1 67 . 1 1 79 79 SER N N 15 0.02333 0.00011 . . . . . . . 15067 1 68 . 1 1 81 81 ALA N N 15 0.02145 0.00019 . . . . . . . 15067 1 69 . 1 1 82 82 MET N N 15 0.02329 0.00011 . . . . . . . 15067 1 70 . 1 1 84 84 LYS N N 15 0.02275 0.00012 . . . . . . . 15067 1 71 . 1 1 85 85 ASP N N 15 0.02502 0.000050 . . . . . . . 15067 1 72 . 1 1 87 87 GLY N N 15 0.02867 0.00010 . . . . . . . 15067 1 73 . 1 1 88 88 ALA N N 15 0.02307 0.000070 . . . . . . . 15067 1 74 . 1 1 89 89 ALA N N 15 0.02550 0.0032 . . . . . . . 15067 1 75 . 1 1 90 90 TRP N N 15 0.02139 0.00016 . . . . . . . 15067 1 76 . 1 1 94 94 GLY N N 15 0.02445 0.00039 . . . . . . . 15067 1 77 . 1 1 95 95 HIS N N 15 0.03319 0.0042 . . . . . . . 15067 1 78 . 1 1 101 101 VAL N N 15 0.02252 0.00023 . . . . . . . 15067 1 79 . 1 1 102 102 PHE N N 15 0.03917 0.0019 . . . . . . . 15067 1 80 . 1 1 103 103 GLY N N 15 0.03580 0.00035 . . . . . . . 15067 1 81 . 1 1 104 104 GLU N N 15 0.02909 0.000030 . . . . . . . 15067 1 82 . 1 1 105 105 SER N N 15 0.01978 0.000020 . . . . . . . 15067 1 83 . 1 1 106 106 ASP N N 15 0.02722 0.000040 . . . . . . . 15067 1 84 . 1 1 107 107 GLU N N 15 0.02575 0.000050 . . . . . . . 15067 1 85 . 1 1 108 108 LEU N N 15 0.02610 0.000080 . . . . . . . 15067 1 86 . 1 1 109 109 ILE N N 15 0.02279 0.000080 . . . . . . . 15067 1 87 . 1 1 110 110 GLY N N 15 0.02850 0.000050 . . . . . . . 15067 1 88 . 1 1 111 111 GLN N N 15 0.02638 0.000040 . . . . . . . 15067 1 89 . 1 1 115 115 HIS N N 15 0.02649 0.0010 . . . . . . . 15067 1 90 . 1 1 118 118 ALA N N 15 0.02571 0.000030 . . . . . . . 15067 1 91 . 1 1 119 119 GLU N N 15 0.02942 0.000080 . . . . . . . 15067 1 92 . 1 1 120 120 GLY N N 15 0.02716 0.000080 . . . . . . . 15067 1 93 . 1 1 121 121 LEU N N 15 0.02397 0.000030 . . . . . . . 15067 1 94 . 1 1 122 122 GLY N N 15 0.02679 0.00013 . . . . . . . 15067 1 95 . 1 1 123 123 VAL N N 15 0.1345 0.35 . . . . . . . 15067 1 96 . 1 1 130 130 LYS N N 15 0.01938 0.00065 . . . . . . . 15067 1 97 . 1 1 149 149 ALA N N 15 0.02613 0.00015 . . . . . . . 15067 1 98 . 1 1 150 150 ILE N N 15 0.02974 0.00026 . . . . . . . 15067 1 99 . 1 1 151 151 ALA N N 15 0.01389 0.00066 . . . . . . . 15067 1 100 . 1 1 152 152 ASP N N 15 0.02473 0.000050 . . . . . . . 15067 1 101 . 1 1 153 153 ASN N N 15 0.02251 0.00011 . . . . . . . 15067 1 102 . 1 1 154 154 VAL N N 15 0.02666 0.000030 . . . . . . . 15067 1 103 . 1 1 156 156 ASP N N 15 0.03022 0.000090 . . . . . . . 15067 1 104 . 1 1 157 157 TRP N N 15 0.03006 0.00015 . . . . . . . 15067 1 105 . 1 1 158 158 SER N N 15 0.02521 0.00014 . . . . . . . 15067 1 106 . 1 1 159 159 LYS N N 15 0.03156 0.00011 . . . . . . . 15067 1 107 . 1 1 160 160 VAL N N 15 0.02335 0.000020 . . . . . . . 15067 1 108 . 1 1 165 165 GLU N N 15 0.01672 0.00042 . . . . . . . 15067 1 109 . 1 1 167 167 GLY N N 15 0.02244 0.0013 . . . . . . . 15067 1 110 . 1 1 168 168 GLY N N 15 0.02872 0.00016 . . . . . . . 15067 1 111 . 1 1 169 169 ALA N N 15 0.04459 0.00033 . . . . . . . 15067 1 112 . 1 1 170 170 ILE N N 15 0.04507 0.00027 . . . . . . . 15067 1 113 . 1 1 172 172 THR N N 15 0.05307 0.0063 . . . . . . . 15067 1 114 . 1 1 173 173 GLY N N 15 0.07464 0.00020 . . . . . . . 15067 1 115 . 1 1 174 174 GLY N N 15 0.07156 0.0011 . . . . . . . 15067 1 116 . 1 1 175 175 GLY N N 15 0.08335 0.000010 . . . . . . . 15067 1 117 . 1 1 176 176 GLY N N 15 0.1179 0.00033 . . . . . . . 15067 1 118 . 1 1 177 177 THR N N 15 0.02824 0.000030 . . . . . . . 15067 1 119 . 1 1 179 179 GLN N N 15 0.02391 0.00016 . . . . . . . 15067 1 120 . 1 1 180 180 GLN N N 15 0.02699 0.000030 . . . . . . . 15067 1 121 . 1 1 181 181 ALA N N 15 0.02144 0.0010 . . . . . . . 15067 1 122 . 1 1 182 182 GLN N N 15 0.02547 0.000050 . . . . . . . 15067 1 123 . 1 1 183 183 GLU N N 15 0.02649 0.000080 . . . . . . . 15067 1 124 . 1 1 185 185 HIS N N 15 0.02541 0.00010 . . . . . . . 15067 1 125 . 1 1 186 186 GLU N N 15 0.02769 0.00013 . . . . . . . 15067 1 126 . 1 1 187 187 LYS N N 15 0.02414 0.00022 . . . . . . . 15067 1 127 . 1 1 188 188 LEU N N 15 0.02111 0.00014 . . . . . . . 15067 1 128 . 1 1 189 189 ARG N N 15 0.02526 0.000060 . . . . . . . 15067 1 129 . 1 1 190 190 GLY N N 15 0.02386 0.00024 . . . . . . . 15067 1 130 . 1 1 191 191 TRP N N 15 0.02647 0.00021 . . . . . . . 15067 1 131 . 1 1 193 193 LYS N N 15 0.02791 0.00023 . . . . . . . 15067 1 132 . 1 1 194 194 SER N N 15 0.02558 0.00010 . . . . . . . 15067 1 133 . 1 1 195 195 HIS N N 15 0.03795 0.00058 . . . . . . . 15067 1 134 . 1 1 196 196 VAL N N 15 0.02241 0.00011 . . . . . . . 15067 1 135 . 1 1 197 197 SER N N 15 0.03018 0.000050 . . . . . . . 15067 1 136 . 1 1 198 198 ASP N N 15 0.02202 0.00024 . . . . . . . 15067 1 137 . 1 1 199 199 ALA N N 15 0.03001 0.000080 . . . . . . . 15067 1 138 . 1 1 200 200 VAL N N 15 0.02558 0.000050 . . . . . . . 15067 1 139 . 1 1 201 201 ALA N N 15 0.02956 0.000090 . . . . . . . 15067 1 140 . 1 1 202 202 GLN N N 15 0.02918 0.0032 . . . . . . . 15067 1 141 . 1 1 203 203 SER N N 15 0.02873 0.00041 . . . . . . . 15067 1 142 . 1 1 204 204 THR N N 15 0.01944 0.000090 . . . . . . . 15067 1 143 . 1 1 205 205 ARG N N 15 0.02352 0.000050 . . . . . . . 15067 1 144 . 1 1 209 209 GLY N N 15 0.02344 0.00088 . . . . . . . 15067 1 145 . 1 1 213 213 THR N N 15 0.02252 0.000050 . . . . . . . 15067 1 146 . 1 1 214 214 GLY N N 15 0.02575 0.000050 . . . . . . . 15067 1 147 . 1 1 215 215 GLY N N 15 0.01907 0.00011 . . . . . . . 15067 1 148 . 1 1 216 216 ASN N N 15 0.02037 0.00045 . . . . . . . 15067 1 149 . 1 1 217 217 CYS N N 15 0.03804 0.0013 . . . . . . . 15067 1 150 . 1 1 218 218 LYS N N 15 0.02690 0.000040 . . . . . . . 15067 1 151 . 1 1 219 219 GLU N N 15 0.02986 0.000060 . . . . . . . 15067 1 152 . 1 1 220 220 LEU N N 15 0.02452 0.00030 . . . . . . . 15067 1 153 . 1 1 221 221 ALA N N 15 0.03140 0.00016 . . . . . . . 15067 1 154 . 1 1 222 222 SER N N 15 0.02294 0.00011 . . . . . . . 15067 1 155 . 1 1 223 223 GLN N N 15 0.02518 0.000040 . . . . . . . 15067 1 156 . 1 1 224 224 HIS N N 15 0.02658 0.000020 . . . . . . . 15067 1 157 . 1 1 226 226 VAL N N 15 0.02437 0.000040 . . . . . . . 15067 1 158 . 1 1 227 227 ASP N N 15 0.02910 0.00041 . . . . . . . 15067 1 159 . 1 1 228 228 GLY N N 15 0.02081 0.00027 . . . . . . . 15067 1 160 . 1 1 231 231 VAL N N 15 0.03014 0.00030 . . . . . . . 15067 1 161 . 1 1 236 236 LEU N N 15 0.02685 0.00012 . . . . . . . 15067 1 162 . 1 1 237 237 LYS N N 15 0.02535 0.000050 . . . . . . . 15067 1 163 . 1 1 239 239 GLU N N 15 0.02637 0.000020 . . . . . . . 15067 1 164 . 1 1 240 240 PHE N N 15 0.02162 0.000030 . . . . . . . 15067 1 165 . 1 1 241 241 VAL N N 15 0.02235 0.000030 . . . . . . . 15067 1 166 . 1 1 242 242 ASP N N 15 0.02531 0.000070 . . . . . . . 15067 1 167 . 1 1 243 243 ILE N N 15 0.02241 0.00024 . . . . . . . 15067 1 168 . 1 1 244 244 ILE N N 15 0.03655 0.00025 . . . . . . . 15067 1 169 . 1 1 245 245 ASN N N 15 0.03004 0.000080 . . . . . . . 15067 1 170 . 1 1 246 246 ALA N N 15 0.02148 0.000030 . . . . . . . 15067 1 171 . 1 1 247 247 LYS N N 15 0.02455 0.000050 . . . . . . . 15067 1 172 . 1 1 248 248 HIS N N 15 0.03694 0.000010 . . . . . . . 15067 1 stop_ save_