data_15065 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15065 _Entry.Title ; 2-PGA-bound WT 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 WT 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 . 15065 2 Ju-yeon Jung . . . 15065 3 Christina Ragain . . . 15065 4 Nicole Sampson . S . 15065 5 Pat Loria . . . 15065 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' . 15065 2 . 'Stony Brook University' . 15065 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15065 heteronucl_NOEs 2 15065 heteronucl_T1_relaxation 2 15065 heteronucl_T2_relaxation 2 15065 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 449 15065 '15N chemical shifts' 218 15065 '1H chemical shifts' 218 15065 'heteronuclear NOE values' 432 15065 'T1 relaxation values' 432 15065 'T2 relaxation values' 431 15065 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 3 . . 2010-05-25 2006-12-05 update BMRB 'update entity name' 15065 2 . . 2007-05-18 2006-12-05 update author 'complete entry citation' 15065 1 . . 2007-02-23 2006-12-05 original author 'original release' 15065 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15064 'apo WT cTIM' 15065 BMRB 15066 'apo PGG/GGG cTIM' 15065 BMRB 15067 '2-PGA-bound PGG/GGG cTIM' 15065 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15065 _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. . 15065 1 2 Ju-yeon Jung . . . 15065 1 3 Christina Ragain . . . 15065 1 4 Nicole Sampson . S. . 15065 1 5 J. Loria . Patrick . 15065 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Enzyme catalysis' 15065 1 'Loop motion' 15065 1 'NMR spectroscopy' 15065 1 'Protein dynamics' 15065 1 'Protein hinge' 15065 1 'Triosephosphate isomerase' 15065 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15065 _Assembly.ID 1 _Assembly.Name '2-PGA bound WT cTIM homodimer' _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 . _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 'WT cTIM chain 1' 1 $triosephosphate_isomerase A . yes native no no . . . 15065 1 2 'WT cTIM chain 2' 1 $triosephosphate_isomerase A . yes native no no . . . 15065 1 3 2-PGA 2 $PGA A . no native no no . . . 15065 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_triosephosphate_isomerase _Entity.Sf_category entity _Entity.Sf_framecode triosephosphate_isomerase _Entity.Entry_ID 15065 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name triosephosphate_isomerase _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 VLAYEPVWAIGTGKTATPQQ 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 PGA _Entity.Nonpolymer_comp_label $chem_comp_PGA _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 'chicken TIM monomer' _Entity.Mutation . _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 . . . . . 100.00 248 100.00 100.00 1.98e-179 . . . . 15065 1 2 no BMRB 15066 . PGG/GGG_mono . . . . . 100.00 248 97.98 97.98 7.12e-174 . . . . 15065 1 3 no BMRB 15067 . PGG/GGG . . . . . 100.00 248 97.98 97.98 7.12e-174 . . . . 15065 1 4 no PDB 1SPQ . "Understanding Protein Lids: Structural Analysis Of Active Hinge Mutants In Triosephosphate Isomerase" . . . . . 99.60 247 99.60 99.60 9.31e-178 . . . . 15065 1 5 no PDB 1SQ7 . "Understanding Protein Lids: Structural Analysis Of Active Hinge Mutants In Triosephosphate Isomerase" . . . . . 99.60 247 99.19 99.19 8.92e-176 . . . . 15065 1 6 no PDB 1SSD . "Understanding Protein Lids: Structural Analysis Of Active Hinge Mutants In Triosephosphate Isomerase" . . . . . 99.60 247 98.79 99.19 4.06e-176 . . . . 15065 1 7 no PDB 1SSG . "Understanding Protein Lids: Structural Analysis Of Active Hinge Mutants In Triosephosphate Isomerase" . . . . . 99.60 247 98.79 99.19 4.06e-176 . . . . 15065 1 8 no PDB 1SU5 . "Understanding Protein Lids: Structural Analysis Of Active Hinge Mutants In Triosephosphate Isomerase" . . . . . 99.60 247 98.79 98.79 8.83e-176 . . . . 15065 1 9 no PDB 1SW0 . "Triosephosphate Isomerase From Gallus Gallus, Loop 6 Hinge Mutant K174l, T175w" . . . . . 100.00 248 99.19 99.19 6.70e-177 . . . . 15065 1 10 no PDB 1SW3 . "Triosephosphate Isomerase From Gallus Gallus, Loop 6 Mutant T175v" . . . . . 100.00 248 99.60 99.60 1.22e-178 . . . . 15065 1 11 no PDB 1SW7 . "Triosephosphate Isomerase From Gallus Gallus, Loop 6 Mutant K174n, T175s, A176s" . . . . . 100.00 248 98.79 99.60 5.77e-178 . . . . 15065 1 12 no PDB 1TPB . "Offset Of A Catalytic Lesion By A Bound Water Soluble" . . . . . 99.60 247 99.19 100.00 2.00e-177 . . . . 15065 1 13 no PDB 1TPC . "Offset Of A Catalytic Lesion By A Bound Water Soluble" . . . . . 99.60 247 98.79 99.60 1.33e-176 . . . . 15065 1 14 no PDB 1TPH . "1.8 Angstroms Crystal Structure Of Wild Type Chicken Triosephosphate Isomerase-Phosphoglycolohydroxamate Complex" . . . . . 99.60 247 99.60 100.00 5.33e-178 . . . . 15065 1 15 no PDB 1TPU . "S96p Change Is A Second-Site Suppressor For H95n Sluggish Mutant Triosephosphate Isomerase" . . . . . 99.60 247 99.19 100.00 4.17e-177 . . . . 15065 1 16 no PDB 1TPV . "S96p Change Is A Second-Site Suppressor For H95n Sluggish Mutant Triosephosphate Isomerase" . . . . . 99.60 247 98.79 99.60 2.92e-176 . . . . 15065 1 17 no PDB 1TPW . "Triosephosphate Isomerase Drinks Water To Keep Healthy" . . . . . 99.60 247 99.19 99.60 3.78e-177 . . . . 15065 1 18 no PDB 4P61 . "Chicken Triosephosphate Isomerase With Loop6 Mutations, V167p And W168e" . . . . . 100.00 248 99.19 99.19 6.84e-177 . . . . 15065 1 19 no PDB 8TIM . "Triose Phosphate Isomerase" . . . . . 99.60 247 99.60 100.00 5.33e-178 . . . . 15065 1 20 no EMBL CAE45562 . "triosephosphate isomerase, partial [Anser anser]" . . . . . 85.08 211 99.53 99.53 3.20e-148 . . . . 15065 1 21 no EMBL CAE45563 . "triosephosphate isomerase, partial [Meleagris gallopavo]" . . . . . 85.08 211 99.53 99.53 6.96e-148 . . . . 15065 1 22 no EMBL CAE45564 . "triosephosphate isomerase, partial [Phasianus colchicus]" . . . . . 85.08 211 99.53 99.53 2.69e-148 . . . . 15065 1 23 no GB AAA49094 . "TIM [Gallus gallus]" . . . . . 100.00 248 100.00 100.00 1.98e-179 . . . . 15065 1 24 no GB AAA49095 . "triosephosphate isomerase (EC 5.3.1.1) [Gallus gallus]" . . . . . 100.00 248 100.00 100.00 1.98e-179 . . . . 15065 1 25 no GB ACH45461 . "putative triosephosphate isomerase [Taeniopygia guttata]" . . . . . 100.00 248 98.79 99.19 1.61e-177 . . . . 15065 1 26 no GB ACH45462 . "putative triosephosphate isomerase [Taeniopygia guttata]" . . . . . 100.00 248 98.79 99.19 1.61e-177 . . . . 15065 1 27 no GB ACH45463 . "putative triosephosphate isomerase [Taeniopygia guttata]" . . . . . 100.00 248 98.39 98.79 5.62e-177 . . . . 15065 1 28 no REF NP_001232159 . "putative triosephosphate isomerase [Taeniopygia guttata]" . . . . . 87.10 216 98.15 99.07 4.94e-152 . . . . 15065 1 29 no REF NP_990782 . "triosephosphate isomerase [Gallus gallus]" . . . . . 100.00 248 100.00 100.00 1.98e-179 . . . . 15065 1 30 no REF XP_005016819 . "PREDICTED: triosephosphate isomerase [Anas platyrhynchos]" . . . . . 67.34 167 99.40 99.40 1.35e-113 . . . . 15065 1 31 no REF XP_005235418 . "PREDICTED: triosephosphate isomerase [Falco peregrinus]" . . . . . 67.34 167 99.40 99.40 1.35e-113 . . . . 15065 1 32 no REF XP_005434378 . "PREDICTED: triosephosphate isomerase [Falco cherrug]" . . . . . 67.34 167 99.40 99.40 1.35e-113 . . . . 15065 1 33 no SP P00940 . "RecName: Full=Triosephosphate isomerase; Short=TIM; AltName: Full=Triose-phosphate isomerase" . . . . . 100.00 248 100.00 100.00 1.98e-179 . . . . 15065 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 . 15065 1 2 . ALA . 15065 1 3 . PRO . 15065 1 4 . ARG . 15065 1 5 . LYS . 15065 1 6 . PHE . 15065 1 7 . PHE . 15065 1 8 . VAL . 15065 1 9 . GLY . 15065 1 10 . GLY . 15065 1 11 . ASN . 15065 1 12 . TRP . 15065 1 13 . LYS . 15065 1 14 . MET . 15065 1 15 . ASN . 15065 1 16 . GLY . 15065 1 17 . ASP . 15065 1 18 . LYS . 15065 1 19 . LYS . 15065 1 20 . SER . 15065 1 21 . LEU . 15065 1 22 . GLY . 15065 1 23 . GLU . 15065 1 24 . LEU . 15065 1 25 . ILE . 15065 1 26 . HIS . 15065 1 27 . THR . 15065 1 28 . LEU . 15065 1 29 . ASN . 15065 1 30 . GLY . 15065 1 31 . ALA . 15065 1 32 . LYS . 15065 1 33 . LEU . 15065 1 34 . SER . 15065 1 35 . ALA . 15065 1 36 . ASP . 15065 1 37 . THR . 15065 1 38 . GLU . 15065 1 39 . VAL . 15065 1 40 . VAL . 15065 1 41 . CYS . 15065 1 42 . GLY . 15065 1 43 . ALA . 15065 1 44 . PRO . 15065 1 45 . SER . 15065 1 46 . ILE . 15065 1 47 . TYR . 15065 1 48 . LEU . 15065 1 49 . ASP . 15065 1 50 . PHE . 15065 1 51 . ALA . 15065 1 52 . ARG . 15065 1 53 . GLN . 15065 1 54 . LYS . 15065 1 55 . LEU . 15065 1 56 . ASP . 15065 1 57 . ALA . 15065 1 58 . LYS . 15065 1 59 . ILE . 15065 1 60 . GLY . 15065 1 61 . VAL . 15065 1 62 . ALA . 15065 1 63 . ALA . 15065 1 64 . GLN . 15065 1 65 . ASN . 15065 1 66 . CYS . 15065 1 67 . TYR . 15065 1 68 . LYS . 15065 1 69 . VAL . 15065 1 70 . PRO . 15065 1 71 . LYS . 15065 1 72 . GLY . 15065 1 73 . ALA . 15065 1 74 . PHE . 15065 1 75 . THR . 15065 1 76 . GLY . 15065 1 77 . GLU . 15065 1 78 . ILE . 15065 1 79 . SER . 15065 1 80 . PRO . 15065 1 81 . ALA . 15065 1 82 . MET . 15065 1 83 . ILE . 15065 1 84 . LYS . 15065 1 85 . ASP . 15065 1 86 . ILE . 15065 1 87 . GLY . 15065 1 88 . ALA . 15065 1 89 . ALA . 15065 1 90 . TRP . 15065 1 91 . VAL . 15065 1 92 . ILE . 15065 1 93 . LEU . 15065 1 94 . GLY . 15065 1 95 . HIS . 15065 1 96 . SER . 15065 1 97 . GLU . 15065 1 98 . ARG . 15065 1 99 . ARG . 15065 1 100 . HIS . 15065 1 101 . VAL . 15065 1 102 . PHE . 15065 1 103 . GLY . 15065 1 104 . GLU . 15065 1 105 . SER . 15065 1 106 . ASP . 15065 1 107 . GLU . 15065 1 108 . LEU . 15065 1 109 . ILE . 15065 1 110 . GLY . 15065 1 111 . GLN . 15065 1 112 . LYS . 15065 1 113 . VAL . 15065 1 114 . ALA . 15065 1 115 . HIS . 15065 1 116 . ALA . 15065 1 117 . LEU . 15065 1 118 . ALA . 15065 1 119 . GLU . 15065 1 120 . GLY . 15065 1 121 . LEU . 15065 1 122 . GLY . 15065 1 123 . VAL . 15065 1 124 . ILE . 15065 1 125 . ALA . 15065 1 126 . CYS . 15065 1 127 . ILE . 15065 1 128 . GLY . 15065 1 129 . GLU . 15065 1 130 . LYS . 15065 1 131 . LEU . 15065 1 132 . ASP . 15065 1 133 . GLU . 15065 1 134 . ARG . 15065 1 135 . GLU . 15065 1 136 . ALA . 15065 1 137 . GLY . 15065 1 138 . ILE . 15065 1 139 . THR . 15065 1 140 . GLU . 15065 1 141 . LYS . 15065 1 142 . VAL . 15065 1 143 . VAL . 15065 1 144 . PHE . 15065 1 145 . GLU . 15065 1 146 . GLN . 15065 1 147 . THR . 15065 1 148 . LYS . 15065 1 149 . ALA . 15065 1 150 . ILE . 15065 1 151 . ALA . 15065 1 152 . ASP . 15065 1 153 . ASN . 15065 1 154 . VAL . 15065 1 155 . LYS . 15065 1 156 . ASP . 15065 1 157 . TRP . 15065 1 158 . SER . 15065 1 159 . LYS . 15065 1 160 . VAL . 15065 1 161 . VAL . 15065 1 162 . LEU . 15065 1 163 . ALA . 15065 1 164 . TYR . 15065 1 165 . GLU . 15065 1 166 . PRO . 15065 1 167 . VAL . 15065 1 168 . TRP . 15065 1 169 . ALA . 15065 1 170 . ILE . 15065 1 171 . GLY . 15065 1 172 . THR . 15065 1 173 . GLY . 15065 1 174 . LYS . 15065 1 175 . THR . 15065 1 176 . ALA . 15065 1 177 . THR . 15065 1 178 . PRO . 15065 1 179 . GLN . 15065 1 180 . GLN . 15065 1 181 . ALA . 15065 1 182 . GLN . 15065 1 183 . GLU . 15065 1 184 . VAL . 15065 1 185 . HIS . 15065 1 186 . GLU . 15065 1 187 . LYS . 15065 1 188 . LEU . 15065 1 189 . ARG . 15065 1 190 . GLY . 15065 1 191 . TRP . 15065 1 192 . LEU . 15065 1 193 . LYS . 15065 1 194 . SER . 15065 1 195 . HIS . 15065 1 196 . VAL . 15065 1 197 . SER . 15065 1 198 . ASP . 15065 1 199 . ALA . 15065 1 200 . VAL . 15065 1 201 . ALA . 15065 1 202 . GLN . 15065 1 203 . SER . 15065 1 204 . THR . 15065 1 205 . ARG . 15065 1 206 . ILE . 15065 1 207 . ILE . 15065 1 208 . TYR . 15065 1 209 . GLY . 15065 1 210 . GLY . 15065 1 211 . SER . 15065 1 212 . VAL . 15065 1 213 . THR . 15065 1 214 . GLY . 15065 1 215 . GLY . 15065 1 216 . ASN . 15065 1 217 . CYS . 15065 1 218 . LYS . 15065 1 219 . GLU . 15065 1 220 . LEU . 15065 1 221 . ALA . 15065 1 222 . SER . 15065 1 223 . GLN . 15065 1 224 . HIS . 15065 1 225 . ASP . 15065 1 226 . VAL . 15065 1 227 . ASP . 15065 1 228 . GLY . 15065 1 229 . PHE . 15065 1 230 . LEU . 15065 1 231 . VAL . 15065 1 232 . GLY . 15065 1 233 . GLY . 15065 1 234 . ALA . 15065 1 235 . SER . 15065 1 236 . LEU . 15065 1 237 . LYS . 15065 1 238 . PRO . 15065 1 239 . GLU . 15065 1 240 . PHE . 15065 1 241 . VAL . 15065 1 242 . ASP . 15065 1 243 . ILE . 15065 1 244 . ILE . 15065 1 245 . ASN . 15065 1 246 . ALA . 15065 1 247 . LYS . 15065 1 248 . HIS . 15065 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 15065 1 . ALA 2 2 15065 1 . PRO 3 3 15065 1 . ARG 4 4 15065 1 . LYS 5 5 15065 1 . PHE 6 6 15065 1 . PHE 7 7 15065 1 . VAL 8 8 15065 1 . GLY 9 9 15065 1 . GLY 10 10 15065 1 . ASN 11 11 15065 1 . TRP 12 12 15065 1 . LYS 13 13 15065 1 . MET 14 14 15065 1 . ASN 15 15 15065 1 . GLY 16 16 15065 1 . ASP 17 17 15065 1 . LYS 18 18 15065 1 . LYS 19 19 15065 1 . SER 20 20 15065 1 . LEU 21 21 15065 1 . GLY 22 22 15065 1 . GLU 23 23 15065 1 . LEU 24 24 15065 1 . ILE 25 25 15065 1 . HIS 26 26 15065 1 . THR 27 27 15065 1 . LEU 28 28 15065 1 . ASN 29 29 15065 1 . GLY 30 30 15065 1 . ALA 31 31 15065 1 . LYS 32 32 15065 1 . LEU 33 33 15065 1 . SER 34 34 15065 1 . ALA 35 35 15065 1 . ASP 36 36 15065 1 . THR 37 37 15065 1 . GLU 38 38 15065 1 . VAL 39 39 15065 1 . VAL 40 40 15065 1 . CYS 41 41 15065 1 . GLY 42 42 15065 1 . ALA 43 43 15065 1 . PRO 44 44 15065 1 . SER 45 45 15065 1 . ILE 46 46 15065 1 . TYR 47 47 15065 1 . LEU 48 48 15065 1 . ASP 49 49 15065 1 . PHE 50 50 15065 1 . ALA 51 51 15065 1 . ARG 52 52 15065 1 . GLN 53 53 15065 1 . LYS 54 54 15065 1 . LEU 55 55 15065 1 . ASP 56 56 15065 1 . ALA 57 57 15065 1 . LYS 58 58 15065 1 . ILE 59 59 15065 1 . GLY 60 60 15065 1 . VAL 61 61 15065 1 . ALA 62 62 15065 1 . ALA 63 63 15065 1 . GLN 64 64 15065 1 . ASN 65 65 15065 1 . CYS 66 66 15065 1 . TYR 67 67 15065 1 . LYS 68 68 15065 1 . VAL 69 69 15065 1 . PRO 70 70 15065 1 . LYS 71 71 15065 1 . GLY 72 72 15065 1 . ALA 73 73 15065 1 . PHE 74 74 15065 1 . THR 75 75 15065 1 . GLY 76 76 15065 1 . GLU 77 77 15065 1 . ILE 78 78 15065 1 . SER 79 79 15065 1 . PRO 80 80 15065 1 . ALA 81 81 15065 1 . MET 82 82 15065 1 . ILE 83 83 15065 1 . LYS 84 84 15065 1 . ASP 85 85 15065 1 . ILE 86 86 15065 1 . GLY 87 87 15065 1 . ALA 88 88 15065 1 . ALA 89 89 15065 1 . TRP 90 90 15065 1 . VAL 91 91 15065 1 . ILE 92 92 15065 1 . LEU 93 93 15065 1 . GLY 94 94 15065 1 . HIS 95 95 15065 1 . SER 96 96 15065 1 . GLU 97 97 15065 1 . ARG 98 98 15065 1 . ARG 99 99 15065 1 . HIS 100 100 15065 1 . VAL 101 101 15065 1 . PHE 102 102 15065 1 . GLY 103 103 15065 1 . GLU 104 104 15065 1 . SER 105 105 15065 1 . ASP 106 106 15065 1 . GLU 107 107 15065 1 . LEU 108 108 15065 1 . ILE 109 109 15065 1 . GLY 110 110 15065 1 . GLN 111 111 15065 1 . LYS 112 112 15065 1 . VAL 113 113 15065 1 . ALA 114 114 15065 1 . HIS 115 115 15065 1 . ALA 116 116 15065 1 . LEU 117 117 15065 1 . ALA 118 118 15065 1 . GLU 119 119 15065 1 . GLY 120 120 15065 1 . LEU 121 121 15065 1 . GLY 122 122 15065 1 . VAL 123 123 15065 1 . ILE 124 124 15065 1 . ALA 125 125 15065 1 . CYS 126 126 15065 1 . ILE 127 127 15065 1 . GLY 128 128 15065 1 . GLU 129 129 15065 1 . LYS 130 130 15065 1 . LEU 131 131 15065 1 . ASP 132 132 15065 1 . GLU 133 133 15065 1 . ARG 134 134 15065 1 . GLU 135 135 15065 1 . ALA 136 136 15065 1 . GLY 137 137 15065 1 . ILE 138 138 15065 1 . THR 139 139 15065 1 . GLU 140 140 15065 1 . LYS 141 141 15065 1 . VAL 142 142 15065 1 . VAL 143 143 15065 1 . PHE 144 144 15065 1 . GLU 145 145 15065 1 . GLN 146 146 15065 1 . THR 147 147 15065 1 . LYS 148 148 15065 1 . ALA 149 149 15065 1 . ILE 150 150 15065 1 . ALA 151 151 15065 1 . ASP 152 152 15065 1 . ASN 153 153 15065 1 . VAL 154 154 15065 1 . LYS 155 155 15065 1 . ASP 156 156 15065 1 . TRP 157 157 15065 1 . SER 158 158 15065 1 . LYS 159 159 15065 1 . VAL 160 160 15065 1 . VAL 161 161 15065 1 . LEU 162 162 15065 1 . ALA 163 163 15065 1 . TYR 164 164 15065 1 . GLU 165 165 15065 1 . PRO 166 166 15065 1 . VAL 167 167 15065 1 . TRP 168 168 15065 1 . ALA 169 169 15065 1 . ILE 170 170 15065 1 . GLY 171 171 15065 1 . THR 172 172 15065 1 . GLY 173 173 15065 1 . LYS 174 174 15065 1 . THR 175 175 15065 1 . ALA 176 176 15065 1 . THR 177 177 15065 1 . PRO 178 178 15065 1 . GLN 179 179 15065 1 . GLN 180 180 15065 1 . ALA 181 181 15065 1 . GLN 182 182 15065 1 . GLU 183 183 15065 1 . VAL 184 184 15065 1 . HIS 185 185 15065 1 . GLU 186 186 15065 1 . LYS 187 187 15065 1 . LEU 188 188 15065 1 . ARG 189 189 15065 1 . GLY 190 190 15065 1 . TRP 191 191 15065 1 . LEU 192 192 15065 1 . LYS 193 193 15065 1 . SER 194 194 15065 1 . HIS 195 195 15065 1 . VAL 196 196 15065 1 . SER 197 197 15065 1 . ASP 198 198 15065 1 . ALA 199 199 15065 1 . VAL 200 200 15065 1 . ALA 201 201 15065 1 . GLN 202 202 15065 1 . SER 203 203 15065 1 . THR 204 204 15065 1 . ARG 205 205 15065 1 . ILE 206 206 15065 1 . ILE 207 207 15065 1 . TYR 208 208 15065 1 . GLY 209 209 15065 1 . GLY 210 210 15065 1 . SER 211 211 15065 1 . VAL 212 212 15065 1 . THR 213 213 15065 1 . GLY 214 214 15065 1 . GLY 215 215 15065 1 . ASN 216 216 15065 1 . CYS 217 217 15065 1 . LYS 218 218 15065 1 . GLU 219 219 15065 1 . LEU 220 220 15065 1 . ALA 221 221 15065 1 . SER 222 222 15065 1 . GLN 223 223 15065 1 . HIS 224 224 15065 1 . ASP 225 225 15065 1 . VAL 226 226 15065 1 . ASP 227 227 15065 1 . GLY 228 228 15065 1 . PHE 229 229 15065 1 . LEU 230 230 15065 1 . VAL 231 231 15065 1 . GLY 232 232 15065 1 . GLY 233 233 15065 1 . ALA 234 234 15065 1 . SER 235 235 15065 1 . LEU 236 236 15065 1 . LYS 237 237 15065 1 . PRO 238 238 15065 1 . GLU 239 239 15065 1 . PHE 240 240 15065 1 . VAL 241 241 15065 1 . ASP 242 242 15065 1 . ILE 243 243 15065 1 . ILE 244 244 15065 1 . ASN 245 245 15065 1 . ALA 246 246 15065 1 . LYS 247 247 15065 1 . HIS 248 248 15065 1 stop_ save_ save_PGA _Entity.Sf_category entity _Entity.Sf_framecode PGA _Entity.Entry_ID 15065 _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 . 15065 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 15065 _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 $triosephosphate_isomerase . 9031 organism . 'Gallus gallus' chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . . . . . . . . . 15065 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 15065 _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 $triosephosphate_isomerase . 'recombinant technology' 'Escherichia coli' . . . . . . . . . . . . . . . . . . . . . pET15b/cTIM . . . . . . 15065 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 15065 _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 Tue Oct 4 22:51:28 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 15065 PGA C(C(=O)O)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 15065 PGA C(C(=O)O)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15065 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 15065 PGA OC(=O)CO[P](O)(O)=O SMILES CACTVS 3.341 15065 PGA OC(=O)CO[P](O)(O)=O SMILES_CANONICAL CACTVS 3.341 15065 PGA O=P(O)(O)OCC(=O)O SMILES ACDLabs 10.04 15065 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 15065 PGA '(phosphonooxy)acetic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 15065 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 . 15065 PGA O1P . O1P . . O . . N 0 . . . . no no . . . . 7.931 . -2.097 . 16.886 . 0.621 -0.037 0.037 2 . 15065 PGA O2P . O2P . . O . . N 0 . . . . no no . . . . 8.942 . -0.509 . 18.723 . -0.726 1.327 -1.602 3 . 15065 PGA O3P . O3P . . O . . N 0 . . . . no no . . . . 8.469 . -3.108 . 18.908 . 1.160 -0.064 -2.535 4 . 15065 PGA O4P . O4P . . O . . N 0 . . . . no no . . . . 6.541 . -1.381 . 18.575 . -1.048 -1.175 -1.644 5 . 15065 PGA C2 . C2 . . C . . N 0 . . . . no no . . . . 9.167 . -2.415 . 16.289 . -0.465 0.060 0.960 6 . 15065 PGA C1 . C1 . . C . . N 0 . . . . no no . . . . 8.907 . -2.451 . 14.791 . 0.065 -0.006 2.369 7 . 15065 PGA O1 . O1 . . O . . N 0 . . . . no no . . . . 9.892 . -2.135 . 13.999 . 1.251 -0.126 2.563 8 . 15065 PGA O2 . O2 . . O . . N 0 . . . . no yes . . . . 7.838 . -2.815 . 14.318 . -0.781 0.066 3.408 9 . 15065 PGA HOP3 . HOP3 . . H . . N 0 . . . . no no . . . . 8.565 . -2.894 . 19.828 . 0.738 -0.013 -3.404 10 . 15065 PGA HOP4 . HOP4 . . H . . N 0 . . . . no no . . . . 6.637 . -1.167 . 19.495 . -0.545 -1.993 -1.530 11 . 15065 PGA H21 . H21 . . H . . N 0 . . . . no no . . . . 9.993 . -1.726 . 16.581 . -1.159 -0.763 0.793 12 . 15065 PGA H22 . H22 . . H . . N 0 . . . . no no . . . . 9.625 . -3.351 . 16.684 . -0.983 1.007 0.811 13 . 15065 PGA HO2 . HO2 . . H . . N 0 . . . . no no . . . . 7.675 . -2.837 . 13.382 . -0.440 0.023 4.312 14 . 15065 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 . 15065 PGA 2 . DOUB P O2P no N 2 . 15065 PGA 3 . SING P O3P no N 3 . 15065 PGA 4 . SING P O4P no N 4 . 15065 PGA 5 . SING O1P C2 no N 5 . 15065 PGA 6 . SING O3P HOP3 no N 6 . 15065 PGA 7 . SING O4P HOP4 no N 7 . 15065 PGA 8 . SING C2 C1 no N 8 . 15065 PGA 9 . SING C2 H21 no N 9 . 15065 PGA 10 . SING C2 H22 no N 10 . 15065 PGA 11 . DOUB C1 O1 no N 11 . 15065 PGA 12 . SING C1 O2 no N 12 . 15065 PGA 13 . SING O2 HO2 no N 13 . 15065 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 15065 _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 $triosephosphate_isomerase . . 0.9 . . mM . . . . 15065 1 2 D2O 'natural abundance' . . . . . . 7.5 . . % . . . . 15065 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15065 1 4 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 15065 1 5 MES [U-2H] . . . . . . 10 . . mM . . . . 15065 1 6 2-phosphoglycolate 'natural abundance' . . 2 $PGA . . 2 . . mM . . . . 15065 1 stop_ save_ save_2H_13C_15N_sample _Sample.Sf_category sample _Sample.Sf_framecode 2H_13C_15N_sample _Sample.Entry_ID 15065 _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; 70% 2H]' . . 1 $triosephosphate_isomerase . . 0.9 . . mM . . . . 15065 2 2 D2O 'natural abundance' . . . . . . 7.5 . . % . . . . 15065 2 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15065 2 4 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 15065 2 5 MES [U-2H] . . . . . . 10 . . mM . . . . 15065 2 6 2-phosphoglycolate 'natural abundance' . . 2 $PGA . . 2 . . mM . . . . 15065 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 15065 _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' . . M 15065 1 pH 6.5 . pH 15065 1 pressure 1 . atm 15065 1 temperature 293 . K 15065 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15065 _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 . . 15065 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15065 1 stop_ save_ save_PISTACHIO _Software.Sf_category software _Software.Sf_framecode PISTACHIO _Software.Entry_ID 15065 _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 . . 15065 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15065 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15065 _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' . . 15065 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15065 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 15065 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15065 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15065 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 15065 _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 . . . 15065 1 2 spectrometer_2 Varian INOVA . 800 . . . 15065 1 3 spectrometer_3 Bruker Avance . 800 . . . 15065 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 15065 _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 . . . . . . . . . . . . . . . . . . . . . 15065 1 2 '3D HN(CO)CA' no . . . . . . . . . . 2 $2H_13C_15N_sample isotropic . . 1 $standard_conditions . . . . . . . . . . . . . . . . . . . . . 15065 1 3 '3D HNCACB' no . . . . . . . . . . 2 $2H_13C_15N_sample isotropic . . 1 $standard_conditions . . . . . . . . . . . . . . . . . . . . . 15065 1 4 '3D HN(CO)CACB' no . . . . . . . . . . 2 $2H_13C_15N_sample isotropic . . 1 $standard_conditions . . . . . . . . . . . . . . . . . . . . . 15065 1 5 '3D HN(CA)CO' no . . . . . . . . . . 2 $2H_13C_15N_sample isotropic . . 1 $standard_conditions . . . . . . . . . . . . . . . . . . . . . 15065 1 6 '3D HNCO' no . . . . . . . . . . 2 $2H_13C_15N_sample isotropic . . 1 $standard_conditions . . . . . . . . . . . . . . . . . . . . . 15065 1 7 '1H-15N ssNOE' no . . . . . . . . . . 1 $2H_15N_sample isotropic . . 1 $standard_conditions . . . . . . . . . . . . . . . . . . . . . 15065 1 8 '1H-15N T1' no . . . . . . . . . . 1 $2H_15N_sample isotropic . . 1 $standard_conditions . . . . . . . . . . . . . . . . . . . . . 15065 1 9 '1H-15N T2' no . . . . . . . . . . 1 $2H_15N_sample isotropic . . 1 $standard_conditions . . . . . . . . . . . . . . . . . . . . . 15065 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 15065 _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 . . . . . . . . . 15065 1 H 1 water protons . . . . ppm 4.821 internal direct 1.0 . . . . . . . . . 15065 1 N 15 water protons . . . . ppm 4.821 internal indirect 0.10132905 . . . . . . . . . 15065 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 15065 _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' . . . 15065 1 2 '3D HN(CO)CA' . . . 15065 1 3 '3D HNCACB' . . . 15065 1 4 '3D HN(CO)CACB' . . . 15065 1 5 '3D HN(CA)CO' . . . 15065 1 6 '3D HNCO' . . . 15065 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 . 15065 1 'TROSY offset' 'amide nitrogens' . 46 . 15065 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 13 176.62 0.10 . 1 . . . . 3 PRO C . 15065 1 2 . 1 1 3 3 PRO CB C 13 31.36 0.10 . 1 . . . . 3 PRO CB . 15065 1 3 . 1 1 4 4 ARG H H 1 8.424 0.010 . 1 . . . . 4 ARG H . 15065 1 4 . 1 1 4 4 ARG C C 13 175.90 0.10 . 1 . . . . 4 ARG C . 15065 1 5 . 1 1 4 4 ARG CB C 13 31.36 0.10 . 1 . . . . 4 ARG CB . 15065 1 6 . 1 1 4 4 ARG N N 15 122.24 0.10 . 1 . . . . 4 ARG N . 15065 1 7 . 1 1 5 5 LYS H H 1 8.975 0.010 . 1 . . . . 5 LYS H . 15065 1 8 . 1 1 5 5 LYS C C 13 175.27 0.10 . 1 . . . . 5 LYS C . 15065 1 9 . 1 1 5 5 LYS CB C 13 32.05 0.10 . 1 . . . . 5 LYS CB . 15065 1 10 . 1 1 5 5 LYS N N 15 128.63 0.10 . 1 . . . . 5 LYS N . 15065 1 11 . 1 1 6 6 PHE H H 1 8.473 0.010 . 1 . . . . 6 PHE H . 15065 1 12 . 1 1 6 6 PHE C C 13 173.68 0.10 . 1 . . . . 6 PHE C . 15065 1 13 . 1 1 6 6 PHE CB C 13 39.70 0.10 . 1 . . . . 6 PHE CB . 15065 1 14 . 1 1 6 6 PHE N N 15 131.95 0.10 . 1 . . . . 6 PHE N . 15065 1 15 . 1 1 7 7 PHE H H 1 8.259 0.010 . 1 . . . . 7 PHE H . 15065 1 16 . 1 1 7 7 PHE C C 13 173.78 0.10 . 1 . . . . 7 PHE C . 15065 1 17 . 1 1 7 7 PHE CB C 13 41.14 0.10 . 1 . . . . 7 PHE CB . 15065 1 18 . 1 1 7 7 PHE N N 15 130.31 0.10 . 1 . . . . 7 PHE N . 15065 1 19 . 1 1 8 8 VAL H H 1 8.504 0.010 . 1 . . . . 8 VAL H . 15065 1 20 . 1 1 8 8 VAL C C 13 173.03 0.10 . 1 . . . . 8 VAL C . 15065 1 21 . 1 1 8 8 VAL CB C 13 34.35 0.10 . 1 . . . . 8 VAL CB . 15065 1 22 . 1 1 8 8 VAL N N 15 126.88 0.10 . 1 . . . . 8 VAL N . 15065 1 23 . 1 1 9 9 GLY H H 1 9.143 0.010 . 1 . . . . 9 GLY H . 15065 1 24 . 1 1 9 9 GLY C C 13 173.20 0.10 . 1 . . . . 9 GLY C . 15065 1 25 . 1 1 9 9 GLY CA C 13 42.05 0.10 . 1 . . . . 9 GLY CA . 15065 1 26 . 1 1 9 9 GLY N N 15 112.34 0.10 . 1 . . . . 9 GLY N . 15065 1 27 . 1 1 10 10 GLY H H 1 9.275 0.010 . 1 . . . . 10 GLY H . 15065 1 28 . 1 1 10 10 GLY C C 13 171.35 0.10 . 1 . . . . 10 GLY C . 15065 1 29 . 1 1 10 10 GLY CA C 13 44.94 0.10 . 1 . . . . 10 GLY CA . 15065 1 30 . 1 1 10 10 GLY N N 15 112.96 0.10 . 1 . . . . 10 GLY N . 15065 1 31 . 1 1 11 11 ASN H H 1 9.408 0.010 . 1 . . . . 11 ASN H . 15065 1 32 . 1 1 11 11 ASN C C 13 173.69 0.10 . 1 . . . . 11 ASN C . 15065 1 33 . 1 1 11 11 ASN CB C 13 37.51 0.10 . 1 . . . . 11 ASN CB . 15065 1 34 . 1 1 11 11 ASN N N 15 123.85 0.10 . 1 . . . . 11 ASN N . 15065 1 35 . 1 1 12 12 TRP H H 1 7.781 0.010 . 1 . . . . 12 TRP H . 15065 1 36 . 1 1 12 12 TRP C C 13 174.41 0.10 . 1 . . . . 12 TRP C . 15065 1 37 . 1 1 12 12 TRP CB C 13 29.20 0.10 . 1 . . . . 12 TRP CB . 15065 1 38 . 1 1 12 12 TRP N N 15 124.87 0.10 . 1 . . . . 12 TRP N . 15065 1 39 . 1 1 13 13 LYS H H 1 8.002 0.010 . 1 . . . . 13 LYS H . 15065 1 40 . 1 1 13 13 LYS C C 13 174.08 0.10 . 1 . . . . 13 LYS C . 15065 1 41 . 1 1 13 13 LYS CB C 13 30.13 0.10 . 1 . . . . 13 LYS CB . 15065 1 42 . 1 1 13 13 LYS N N 15 115.45 0.10 . 1 . . . . 13 LYS N . 15065 1 43 . 1 1 14 14 MET H H 1 7.479 0.010 . 1 . . . . 14 MET H . 15065 1 44 . 1 1 14 14 MET C C 13 173.20 0.10 . 1 . . . . 14 MET C . 15065 1 45 . 1 1 14 14 MET CB C 13 31.78 0.10 . 1 . . . . 14 MET CB . 15065 1 46 . 1 1 14 14 MET N N 15 125.23 0.10 . 1 . . . . 14 MET N . 15065 1 47 . 1 1 15 15 ASN H H 1 7.133 0.010 . 1 . . . . 15 ASN H . 15065 1 48 . 1 1 15 15 ASN C C 13 172.23 0.10 . 1 . . . . 15 ASN C . 15065 1 49 . 1 1 15 15 ASN CB C 13 44.17 0.10 . 1 . . . . 15 ASN CB . 15065 1 50 . 1 1 15 15 ASN N N 15 118.64 0.10 . 1 . . . . 15 ASN N . 15065 1 51 . 1 1 16 16 GLY H H 1 8.173 0.010 . 1 . . . . 16 GLY H . 15065 1 52 . 1 1 16 16 GLY C C 13 171.52 0.10 . 1 . . . . 16 GLY C . 15065 1 53 . 1 1 16 16 GLY CA C 13 42.95 0.10 . 1 . . . . 16 GLY CA . 15065 1 54 . 1 1 16 16 GLY N N 15 104.70 0.10 . 1 . . . . 16 GLY N . 15065 1 55 . 1 1 17 17 ASP H H 1 7.060 0.010 . 1 . . . . 17 ASP H . 15065 1 56 . 1 1 17 17 ASP C C 13 175.43 0.10 . 1 . . . . 17 ASP C . 15065 1 57 . 1 1 17 17 ASP CB C 13 42.08 0.10 . 1 . . . . 17 ASP CB . 15065 1 58 . 1 1 17 17 ASP N N 15 114.85 0.10 . 1 . . . . 17 ASP N . 15065 1 59 . 1 1 18 18 LYS H H 1 9.527 0.010 . 1 . . . . 18 LYS H . 15065 1 60 . 1 1 18 18 LYS C C 13 180.14 0.10 . 1 . . . . 18 LYS C . 15065 1 61 . 1 1 18 18 LYS CB C 13 31.03 0.10 . 1 . . . . 18 LYS CB . 15065 1 62 . 1 1 18 18 LYS N N 15 120.97 0.10 . 1 . . . . 18 LYS N . 15065 1 63 . 1 1 19 19 LYS H H 1 8.351 0.010 . 1 . . . . 19 LYS H . 15065 1 64 . 1 1 19 19 LYS C C 13 179.35 0.10 . 1 . . . . 19 LYS C . 15065 1 65 . 1 1 19 19 LYS CB C 13 31.14 0.10 . 1 . . . . 19 LYS CB . 15065 1 66 . 1 1 19 19 LYS N N 15 121.06 0.10 . 1 . . . . 19 LYS N . 15065 1 67 . 1 1 20 20 SER H H 1 8.992 0.010 . 1 . . . . 20 SER H . 15065 1 68 . 1 1 20 20 SER C C 13 178.99 0.10 . 1 . . . . 20 SER C . 15065 1 69 . 1 1 20 20 SER CB C 13 62.21 0.10 . 1 . . . . 20 SER CB . 15065 1 70 . 1 1 20 20 SER N N 15 118.82 0.10 . 1 . . . . 20 SER N . 15065 1 71 . 1 1 21 21 LEU H H 1 9.208 0.010 . 1 . . . . 21 LEU H . 15065 1 72 . 1 1 21 21 LEU C C 13 179.41 0.10 . 1 . . . . 21 LEU C . 15065 1 73 . 1 1 21 21 LEU CB C 13 39.57 0.10 . 1 . . . . 21 LEU CB . 15065 1 74 . 1 1 21 21 LEU N N 15 125.53 0.10 . 1 . . . . 21 LEU N . 15065 1 75 . 1 1 22 22 GLY H H 1 8.256 0.010 . 1 . . . . 22 GLY H . 15065 1 76 . 1 1 22 22 GLY C C 13 176.37 0.10 . 1 . . . . 22 GLY C . 15065 1 77 . 1 1 22 22 GLY CA C 13 46.82 0.10 . 1 . . . . 22 GLY CA . 15065 1 78 . 1 1 22 22 GLY N N 15 108.52 0.10 . 1 . . . . 22 GLY N . 15065 1 79 . 1 1 23 23 GLU H H 1 7.527 0.010 . 1 . . . . 23 GLU H . 15065 1 80 . 1 1 23 23 GLU C C 13 178.56 0.10 . 1 . . . . 23 GLU C . 15065 1 81 . 1 1 23 23 GLU CB C 13 28.55 0.10 . 1 . . . . 23 GLU CB . 15065 1 82 . 1 1 23 23 GLU N N 15 122.50 0.10 . 1 . . . . 23 GLU N . 15065 1 83 . 1 1 24 24 LEU H H 1 7.511 0.010 . 1 . . . . 24 LEU H . 15065 1 84 . 1 1 24 24 LEU C C 13 179.27 0.10 . 1 . . . . 24 LEU C . 15065 1 85 . 1 1 24 24 LEU CB C 13 41.35 0.10 . 1 . . . . 24 LEU CB . 15065 1 86 . 1 1 24 24 LEU N N 15 123.79 0.10 . 1 . . . . 24 LEU N . 15065 1 87 . 1 1 25 25 ILE H H 1 8.779 0.010 . 1 . . . . 25 ILE H . 15065 1 88 . 1 1 25 25 ILE C C 13 176.74 0.10 . 1 . . . . 25 ILE C . 15065 1 89 . 1 1 25 25 ILE CB C 13 37.45 0.10 . 1 . . . . 25 ILE CB . 15065 1 90 . 1 1 25 25 ILE N N 15 120.66 0.10 . 1 . . . . 25 ILE N . 15065 1 91 . 1 1 26 26 HIS H H 1 8.154 0.010 . 1 . . . . 26 HIS H . 15065 1 92 . 1 1 26 26 HIS C C 13 179.06 0.10 . 1 . . . . 26 HIS C . 15065 1 93 . 1 1 26 26 HIS CB C 13 29.24 0.10 . 1 . . . . 26 HIS CB . 15065 1 94 . 1 1 26 26 HIS N N 15 119.76 0.10 . 1 . . . . 26 HIS N . 15065 1 95 . 1 1 27 27 THR H H 1 8.021 0.010 . 1 . . . . 27 THR H . 15065 1 96 . 1 1 27 27 THR C C 13 176.72 0.10 . 1 . . . . 27 THR C . 15065 1 97 . 1 1 27 27 THR CB C 13 67.97 0.10 . 1 . . . . 27 THR CB . 15065 1 98 . 1 1 27 27 THR N N 15 117.62 0.10 . 1 . . . . 27 THR N . 15065 1 99 . 1 1 28 28 LEU H H 1 8.113 0.010 . 1 . . . . 28 LEU H . 15065 1 100 . 1 1 28 28 LEU C C 13 178.45 0.10 . 1 . . . . 28 LEU C . 15065 1 101 . 1 1 28 28 LEU CB C 13 40.70 0.10 . 1 . . . . 28 LEU CB . 15065 1 102 . 1 1 28 28 LEU N N 15 123.08 0.10 . 1 . . . . 28 LEU N . 15065 1 103 . 1 1 29 29 ASN H H 1 8.812 0.010 . 1 . . . . 29 ASN H . 15065 1 104 . 1 1 29 29 ASN C C 13 178.02 0.10 . 1 . . . . 29 ASN C . 15065 1 105 . 1 1 29 29 ASN CB C 13 37.31 0.10 . 1 . . . . 29 ASN CB . 15065 1 106 . 1 1 29 29 ASN N N 15 117.42 0.10 . 1 . . . . 29 ASN N . 15065 1 107 . 1 1 30 30 GLY H H 1 7.396 0.010 . 1 . . . . 30 GLY H . 15065 1 108 . 1 1 30 30 GLY C C 13 173.85 0.10 . 1 . . . . 30 GLY C . 15065 1 109 . 1 1 30 30 GLY CA C 13 43.54 0.10 . 1 . . . . 30 GLY CA . 15065 1 110 . 1 1 30 30 GLY N N 15 105.14 0.10 . 1 . . . . 30 GLY N . 15065 1 111 . 1 1 31 31 ALA H H 1 7.152 0.010 . 1 . . . . 31 ALA H . 15065 1 112 . 1 1 31 31 ALA C C 13 176.72 0.10 . 1 . . . . 31 ALA C . 15065 1 113 . 1 1 31 31 ALA CB C 13 20.45 0.10 . 1 . . . . 31 ALA CB . 15065 1 114 . 1 1 31 31 ALA N N 15 124.53 0.10 . 1 . . . . 31 ALA N . 15065 1 115 . 1 1 32 32 LYS H H 1 8.522 0.010 . 1 . . . . 32 LYS H . 15065 1 116 . 1 1 32 32 LYS C C 13 175.12 0.10 . 1 . . . . 32 LYS C . 15065 1 117 . 1 1 32 32 LYS CB C 13 29.57 0.10 . 1 . . . . 32 LYS CB . 15065 1 118 . 1 1 32 32 LYS N N 15 122.59 0.10 . 1 . . . . 32 LYS N . 15065 1 119 . 1 1 33 33 LEU H H 1 8.185 0.010 . 1 . . . . 33 LEU H . 15065 1 120 . 1 1 33 33 LEU C C 13 177.40 0.10 . 1 . . . . 33 LEU C . 15065 1 121 . 1 1 33 33 LEU CB C 13 41.13 0.10 . 1 . . . . 33 LEU CB . 15065 1 122 . 1 1 33 33 LEU N N 15 126.13 0.10 . 1 . . . . 33 LEU N . 15065 1 123 . 1 1 34 34 SER H H 1 8.684 0.010 . 1 . . . . 34 SER H . 15065 1 124 . 1 1 34 34 SER C C 13 176.16 0.10 . 1 . . . . 34 SER C . 15065 1 125 . 1 1 34 34 SER CB C 13 63.89 0.10 . 1 . . . . 34 SER CB . 15065 1 126 . 1 1 34 34 SER N N 15 119.23 0.10 . 1 . . . . 34 SER N . 15065 1 127 . 1 1 35 35 ALA H H 1 8.830 0.010 . 1 . . . . 35 ALA H . 15065 1 128 . 1 1 35 35 ALA C C 13 177.76 0.10 . 1 . . . . 35 ALA C . 15065 1 129 . 1 1 35 35 ALA CB C 13 18.39 0.10 . 1 . . . . 35 ALA CB . 15065 1 130 . 1 1 35 35 ALA N N 15 130.30 0.10 . 1 . . . . 35 ALA N . 15065 1 131 . 1 1 36 36 ASP H H 1 8.028 0.010 . 1 . . . . 36 ASP H . 15065 1 132 . 1 1 36 36 ASP C C 13 174.68 0.10 . 1 . . . . 36 ASP C . 15065 1 133 . 1 1 36 36 ASP CB C 13 40.37 0.10 . 1 . . . . 36 ASP CB . 15065 1 134 . 1 1 36 36 ASP N N 15 115.33 0.10 . 1 . . . . 36 ASP N . 15065 1 135 . 1 1 37 37 THR H H 1 7.246 0.010 . 1 . . . . 37 THR H . 15065 1 136 . 1 1 37 37 THR C C 13 172.95 0.10 . 1 . . . . 37 THR C . 15065 1 137 . 1 1 37 37 THR CB C 13 70.10 0.10 . 1 . . . . 37 THR CB . 15065 1 138 . 1 1 37 37 THR N N 15 115.72 0.10 . 1 . . . . 37 THR N . 15065 1 139 . 1 1 38 38 GLU H H 1 9.627 0.010 . 1 . . . . 38 GLU H . 15065 1 140 . 1 1 38 38 GLU C C 13 172.42 0.10 . 1 . . . . 38 GLU C . 15065 1 141 . 1 1 38 38 GLU CB C 13 30.34 0.10 . 1 . . . . 38 GLU CB . 15065 1 142 . 1 1 38 38 GLU N N 15 133.27 0.10 . 1 . . . . 38 GLU N . 15065 1 143 . 1 1 39 39 VAL H H 1 8.605 0.010 . 1 . . . . 39 VAL H . 15065 1 144 . 1 1 39 39 VAL C C 13 176.03 0.10 . 1 . . . . 39 VAL C . 15065 1 145 . 1 1 39 39 VAL CB C 13 32.86 0.10 . 1 . . . . 39 VAL CB . 15065 1 146 . 1 1 39 39 VAL N N 15 126.97 0.10 . 1 . . . . 39 VAL N . 15065 1 147 . 1 1 40 40 VAL H H 1 8.069 0.010 . 1 . . . . 40 VAL H . 15065 1 148 . 1 1 40 40 VAL C C 13 172.87 0.10 . 1 . . . . 40 VAL C . 15065 1 149 . 1 1 40 40 VAL CB C 13 35.35 0.10 . 1 . . . . 40 VAL CB . 15065 1 150 . 1 1 40 40 VAL N N 15 126.00 0.10 . 1 . . . . 40 VAL N . 15065 1 151 . 1 1 41 41 CYS H H 1 8.181 0.010 . 1 . . . . 41 CYS H . 15065 1 152 . 1 1 41 41 CYS C C 13 173.22 0.10 . 1 . . . . 41 CYS C . 15065 1 153 . 1 1 41 41 CYS CB C 13 30.16 0.10 . 1 . . . . 41 CYS CB . 15065 1 154 . 1 1 41 41 CYS N N 15 123.27 0.10 . 1 . . . . 41 CYS N . 15065 1 155 . 1 1 42 42 GLY H H 1 9.239 0.010 . 1 . . . . 42 GLY H . 15065 1 156 . 1 1 42 42 GLY C C 13 172.61 0.10 . 1 . . . . 42 GLY C . 15065 1 157 . 1 1 42 42 GLY CA C 13 42.11 0.10 . 1 . . . . 42 GLY CA . 15065 1 158 . 1 1 42 42 GLY N N 15 112.27 0.10 . 1 . . . . 42 GLY N . 15065 1 159 . 1 1 43 43 ALA H H 1 7.110 0.010 . 1 . . . . 43 ALA H . 15065 1 160 . 1 1 43 43 ALA CB C 13 18.64 0.10 . 1 . . . . 43 ALA CB . 15065 1 161 . 1 1 43 43 ALA N N 15 129.55 0.10 . 1 . . . . 43 ALA N . 15065 1 162 . 1 1 45 45 SER C C 13 176.10 0.10 . 1 . . . . 45 SER C . 15065 1 163 . 1 1 46 46 ILE H H 1 5.974 0.010 . 1 . . . . 46 ILE H . 15065 1 164 . 1 1 46 46 ILE C C 13 174.06 0.10 . 1 . . . . 46 ILE C . 15065 1 165 . 1 1 46 46 ILE CB C 13 39.91 0.10 . 1 . . . . 46 ILE CB . 15065 1 166 . 1 1 46 46 ILE N N 15 119.09 0.10 . 1 . . . . 46 ILE N . 15065 1 167 . 1 1 47 47 TYR H H 1 7.772 0.010 . 1 . . . . 47 TYR H . 15065 1 168 . 1 1 47 47 TYR C C 13 174.55 0.10 . 1 . . . . 47 TYR C . 15065 1 169 . 1 1 47 47 TYR CB C 13 39.91 0.10 . 1 . . . . 47 TYR CB . 15065 1 170 . 1 1 47 47 TYR N N 15 118.64 0.10 . 1 . . . . 47 TYR N . 15065 1 171 . 1 1 48 48 LEU H H 1 7.205 0.010 . 1 . . . . 48 LEU H . 15065 1 172 . 1 1 48 48 LEU C C 13 176.60 0.10 . 1 . . . . 48 LEU C . 15065 1 173 . 1 1 48 48 LEU CB C 13 42.04 0.10 . 1 . . . . 48 LEU CB . 15065 1 174 . 1 1 48 48 LEU N N 15 124.10 0.10 . 1 . . . . 48 LEU N . 15065 1 175 . 1 1 49 49 ASP H H 1 9.116 0.010 . 1 . . . . 49 ASP H . 15065 1 176 . 1 1 49 49 ASP C C 13 177.01 0.10 . 1 . . . . 49 ASP C . 15065 1 177 . 1 1 49 49 ASP CB C 13 40.54 0.10 . 1 . . . . 49 ASP CB . 15065 1 178 . 1 1 49 49 ASP N N 15 119.47 0.10 . 1 . . . . 49 ASP N . 15065 1 179 . 1 1 50 50 PHE H H 1 8.651 0.010 . 1 . . . . 50 PHE H . 15065 1 180 . 1 1 50 50 PHE C C 13 176.26 0.10 . 1 . . . . 50 PHE C . 15065 1 181 . 1 1 50 50 PHE CB C 13 39.51 0.10 . 1 . . . . 50 PHE CB . 15065 1 182 . 1 1 50 50 PHE N N 15 120.38 0.10 . 1 . . . . 50 PHE N . 15065 1 183 . 1 1 51 51 ALA H H 1 9.173 0.010 . 1 . . . . 51 ALA H . 15065 1 184 . 1 1 51 51 ALA C C 13 178.87 0.10 . 1 . . . . 51 ALA C . 15065 1 185 . 1 1 51 51 ALA CB C 13 16.73 0.10 . 1 . . . . 51 ALA CB . 15065 1 186 . 1 1 51 51 ALA N N 15 119.17 0.10 . 1 . . . . 51 ALA N . 15065 1 187 . 1 1 52 52 ARG H H 1 8.551 0.010 . 1 . . . . 52 ARG H . 15065 1 188 . 1 1 52 52 ARG C C 13 179.16 0.10 . 1 . . . . 52 ARG C . 15065 1 189 . 1 1 52 52 ARG CB C 13 31.53 0.10 . 1 . . . . 52 ARG CB . 15065 1 190 . 1 1 52 52 ARG N N 15 118.09 0.10 . 1 . . . . 52 ARG N . 15065 1 191 . 1 1 53 53 GLN H H 1 8.522 0.010 . 1 . . . . 53 GLN H . 15065 1 192 . 1 1 53 53 GLN C C 13 178.46 0.10 . 1 . . . . 53 GLN C . 15065 1 193 . 1 1 53 53 GLN CB C 13 28.45 0.10 . 1 . . . . 53 GLN CB . 15065 1 194 . 1 1 53 53 GLN N N 15 119.07 0.10 . 1 . . . . 53 GLN N . 15065 1 195 . 1 1 54 54 LYS H H 1 7.595 0.010 . 1 . . . . 54 LYS H . 15065 1 196 . 1 1 54 54 LYS C C 13 178.60 0.10 . 1 . . . . 54 LYS C . 15065 1 197 . 1 1 54 54 LYS CB C 13 32.54 0.10 . 1 . . . . 54 LYS CB . 15065 1 198 . 1 1 54 54 LYS N N 15 115.99 0.10 . 1 . . . . 54 LYS N . 15065 1 199 . 1 1 55 55 LEU H H 1 8.443 0.010 . 1 . . . . 55 LEU H . 15065 1 200 . 1 1 55 55 LEU C C 13 176.96 0.10 . 1 . . . . 55 LEU C . 15065 1 201 . 1 1 55 55 LEU CB C 13 42.30 0.10 . 1 . . . . 55 LEU CB . 15065 1 202 . 1 1 55 55 LEU N N 15 123.80 0.10 . 1 . . . . 55 LEU N . 15065 1 203 . 1 1 56 56 ASP H H 1 8.969 0.010 . 1 . . . . 56 ASP H . 15065 1 204 . 1 1 56 56 ASP C C 13 176.95 0.10 . 1 . . . . 56 ASP C . 15065 1 205 . 1 1 56 56 ASP CB C 13 42.52 0.10 . 1 . . . . 56 ASP CB . 15065 1 206 . 1 1 56 56 ASP N N 15 124.96 0.10 . 1 . . . . 56 ASP N . 15065 1 207 . 1 1 57 57 ALA H H 1 8.522 0.010 . 1 . . . . 57 ALA H . 15065 1 208 . 1 1 57 57 ALA C C 13 178.36 0.10 . 1 . . . . 57 ALA C . 15065 1 209 . 1 1 57 57 ALA CB C 13 18.44 0.10 . 1 . . . . 57 ALA CB . 15065 1 210 . 1 1 57 57 ALA N N 15 128.17 0.10 . 1 . . . . 57 ALA N . 15065 1 211 . 1 1 58 58 LYS H H 1 8.930 0.010 . 1 . . . . 58 LYS H . 15065 1 212 . 1 1 58 58 LYS C C 13 176.09 0.10 . 1 . . . . 58 LYS C . 15065 1 213 . 1 1 58 58 LYS CB C 13 30.79 0.10 . 1 . . . . 58 LYS CB . 15065 1 214 . 1 1 58 58 LYS N N 15 116.99 0.10 . 1 . . . . 58 LYS N . 15065 1 215 . 1 1 59 59 ILE H H 1 8.388 0.010 . 1 . . . . 59 ILE H . 15065 1 216 . 1 1 59 59 ILE C C 13 175.58 0.10 . 1 . . . . 59 ILE C . 15065 1 217 . 1 1 59 59 ILE CB C 13 37.89 0.10 . 1 . . . . 59 ILE CB . 15065 1 218 . 1 1 59 59 ILE N N 15 123.86 0.10 . 1 . . . . 59 ILE N . 15065 1 219 . 1 1 60 60 GLY H H 1 8.912 0.010 . 1 . . . . 60 GLY H . 15065 1 220 . 1 1 60 60 GLY C C 13 171.77 0.10 . 1 . . . . 60 GLY C . 15065 1 221 . 1 1 60 60 GLY CA C 13 44.80 0.10 . 1 . . . . 60 GLY CA . 15065 1 222 . 1 1 60 60 GLY N N 15 114.70 0.10 . 1 . . . . 60 GLY N . 15065 1 223 . 1 1 61 61 VAL H H 1 8.468 0.010 . 1 . . . . 61 VAL H . 15065 1 224 . 1 1 61 61 VAL C C 13 173.30 0.10 . 1 . . . . 61 VAL C . 15065 1 225 . 1 1 61 61 VAL CB C 13 34.47 0.10 . 1 . . . . 61 VAL CB . 15065 1 226 . 1 1 61 61 VAL N N 15 120.66 0.10 . 1 . . . . 61 VAL N . 15065 1 227 . 1 1 62 62 ALA H H 1 8.604 0.010 . 1 . . . . 62 ALA H . 15065 1 228 . 1 1 62 62 ALA C C 13 176.27 0.10 . 1 . . . . 62 ALA C . 15065 1 229 . 1 1 62 62 ALA CB C 13 21.76 0.10 . 1 . . . . 62 ALA CB . 15065 1 230 . 1 1 62 62 ALA N N 15 127.68 0.10 . 1 . . . . 62 ALA N . 15065 1 231 . 1 1 63 63 ALA H H 1 8.206 0.010 . 1 . . . . 63 ALA H . 15065 1 232 . 1 1 63 63 ALA C C 13 177.80 0.10 . 1 . . . . 63 ALA C . 15065 1 233 . 1 1 63 63 ALA CB C 13 21.10 0.10 . 1 . . . . 63 ALA CB . 15065 1 234 . 1 1 63 63 ALA N N 15 120.36 0.10 . 1 . . . . 63 ALA N . 15065 1 235 . 1 1 64 64 GLN H H 1 10.05 0.010 . 1 . . . . 64 GLN H . 15065 1 236 . 1 1 64 64 GLN C C 13 172.23 0.10 . 1 . . . . 64 GLN C . 15065 1 237 . 1 1 64 64 GLN CB C 13 28.12 0.10 . 1 . . . . 64 GLN CB . 15065 1 238 . 1 1 64 64 GLN N N 15 120.25 0.10 . 1 . . . . 64 GLN N . 15065 1 239 . 1 1 65 65 ASN H H 1 6.966 0.010 . 1 . . . . 65 ASN H . 15065 1 240 . 1 1 65 65 ASN C C 13 173.26 0.10 . 1 . . . . 65 ASN C . 15065 1 241 . 1 1 65 65 ASN CB C 13 38.18 0.10 . 1 . . . . 65 ASN CB . 15065 1 242 . 1 1 65 65 ASN N N 15 105.90 0.10 . 1 . . . . 65 ASN N . 15065 1 243 . 1 1 66 66 CYS H H 1 7.575 0.010 . 1 . . . . 66 CYS H . 15065 1 244 . 1 1 66 66 CYS C C 13 171.58 0.10 . 1 . . . . 66 CYS C . 15065 1 245 . 1 1 66 66 CYS CB C 13 30.35 0.10 . 1 . . . . 66 CYS CB . 15065 1 246 . 1 1 66 66 CYS N N 15 113.78 0.10 . 1 . . . . 66 CYS N . 15065 1 247 . 1 1 67 67 TYR H H 1 8.846 0.010 . 1 . . . . 67 TYR H . 15065 1 248 . 1 1 67 67 TYR N N 15 117.34 0.10 . 1 . . . . 67 TYR N . 15065 1 249 . 1 1 70 70 PRO C C 13 178.75 0.10 . 1 . . . . 70 PRO C . 15065 1 250 . 1 1 71 71 LYS H H 1 7.256 0.010 . 1 . . . . 71 LYS H . 15065 1 251 . 1 1 71 71 LYS C C 13 174.47 0.10 . 1 . . . . 71 LYS C . 15065 1 252 . 1 1 71 71 LYS CB C 13 33.26 0.10 . 1 . . . . 71 LYS CB . 15065 1 253 . 1 1 71 71 LYS N N 15 111.35 0.10 . 1 . . . . 71 LYS N . 15065 1 254 . 1 1 72 72 GLY H H 1 8.267 0.010 . 1 . . . . 72 GLY H . 15065 1 255 . 1 1 72 72 GLY C C 13 172.81 0.10 . 1 . . . . 72 GLY C . 15065 1 256 . 1 1 72 72 GLY CA C 13 43.45 0.10 . 1 . . . . 72 GLY CA . 15065 1 257 . 1 1 72 72 GLY N N 15 105.80 0.10 . 1 . . . . 72 GLY N . 15065 1 258 . 1 1 73 73 ALA H H 1 8.299 0.010 . 1 . . . . 73 ALA H . 15065 1 259 . 1 1 73 73 ALA C C 13 173.32 0.10 . 1 . . . . 73 ALA C . 15065 1 260 . 1 1 73 73 ALA CB C 13 14.86 0.10 . 1 . . . . 73 ALA CB . 15065 1 261 . 1 1 73 73 ALA N N 15 128.29 0.10 . 1 . . . . 73 ALA N . 15065 1 262 . 1 1 74 74 PHE H H 1 7.131 0.010 . 1 . . . . 74 PHE H . 15065 1 263 . 1 1 74 74 PHE C C 13 173.72 0.10 . 1 . . . . 74 PHE C . 15065 1 264 . 1 1 74 74 PHE CB C 13 38.98 0.10 . 1 . . . . 74 PHE CB . 15065 1 265 . 1 1 74 74 PHE N N 15 120.45 0.10 . 1 . . . . 74 PHE N . 15065 1 266 . 1 1 75 75 THR H H 1 9.173 0.010 . 1 . . . . 75 THR H . 15065 1 267 . 1 1 75 75 THR C C 13 174.73 0.10 . 1 . . . . 75 THR C . 15065 1 268 . 1 1 75 75 THR CB C 13 69.38 0.10 . 1 . . . . 75 THR CB . 15065 1 269 . 1 1 75 75 THR N N 15 121.13 0.10 . 1 . . . . 75 THR N . 15065 1 270 . 1 1 76 76 GLY H H 1 9.060 0.010 . 1 . . . . 76 GLY H . 15065 1 271 . 1 1 76 76 GLY C C 13 174.50 0.10 . 1 . . . . 76 GLY C . 15065 1 272 . 1 1 76 76 GLY CA C 13 44.80 0.10 . 1 . . . . 76 GLY CA . 15065 1 273 . 1 1 76 76 GLY N N 15 112.25 0.10 . 1 . . . . 76 GLY N . 15065 1 274 . 1 1 77 77 GLU H H 1 8.016 0.010 . 1 . . . . 77 GLU H . 15065 1 275 . 1 1 77 77 GLU C C 13 175.81 0.10 . 1 . . . . 77 GLU C . 15065 1 276 . 1 1 77 77 GLU CB C 13 32.66 0.10 . 1 . . . . 77 GLU CB . 15065 1 277 . 1 1 77 77 GLU N N 15 122.42 0.10 . 1 . . . . 77 GLU N . 15065 1 278 . 1 1 78 78 ILE H H 1 8.816 0.010 . 1 . . . . 78 ILE H . 15065 1 279 . 1 1 78 78 ILE C C 13 173.77 0.10 . 1 . . . . 78 ILE C . 15065 1 280 . 1 1 78 78 ILE CB C 13 42.24 0.10 . 1 . . . . 78 ILE CB . 15065 1 281 . 1 1 78 78 ILE N N 15 113.03 0.10 . 1 . . . . 78 ILE N . 15065 1 282 . 1 1 79 79 SER H H 1 7.632 0.010 . 1 . . . . 79 SER H . 15065 1 283 . 1 1 79 79 SER CB C 13 65.74 0.10 . 1 . . . . 79 SER CB . 15065 1 284 . 1 1 79 79 SER N N 15 115.46 0.10 . 1 . . . . 79 SER N . 15065 1 285 . 1 1 80 80 PRO C C 13 176.46 0.10 . 1 . . . . 80 PRO C . 15065 1 286 . 1 1 81 81 ALA H H 1 8.971 0.010 . 1 . . . . 81 ALA H . 15065 1 287 . 1 1 81 81 ALA C C 13 180.54 0.10 . 1 . . . . 81 ALA C . 15065 1 288 . 1 1 81 81 ALA CB C 13 17.74 0.10 . 1 . . . . 81 ALA CB . 15065 1 289 . 1 1 81 81 ALA N N 15 120.30 0.10 . 1 . . . . 81 ALA N . 15065 1 290 . 1 1 82 82 MET H H 1 7.516 0.010 . 1 . . . . 82 MET H . 15065 1 291 . 1 1 82 82 MET CB C 13 32.24 0.10 . 1 . . . . 82 MET CB . 15065 1 292 . 1 1 82 82 MET N N 15 119.65 0.10 . 1 . . . . 82 MET N . 15065 1 293 . 1 1 83 83 ILE C C 13 177.66 0.10 . 1 . . . . 83 ILE C . 15065 1 294 . 1 1 83 83 ILE CB C 13 37.91 0.10 . 1 . . . . 83 ILE CB . 15065 1 295 . 1 1 84 84 LYS H H 1 8.549 0.010 . 1 . . . . 84 LYS H . 15065 1 296 . 1 1 84 84 LYS C C 13 180.73 0.10 . 1 . . . . 84 LYS C . 15065 1 297 . 1 1 84 84 LYS CB C 13 32.10 0.10 . 1 . . . . 84 LYS CB . 15065 1 298 . 1 1 84 84 LYS N N 15 118.41 0.10 . 1 . . . . 84 LYS N . 15065 1 299 . 1 1 85 85 ASP H H 1 7.725 0.010 . 1 . . . . 85 ASP H . 15065 1 300 . 1 1 85 85 ASP CB C 13 41.52 0.10 . 1 . . . . 85 ASP CB . 15065 1 301 . 1 1 85 85 ASP N N 15 122.07 0.10 . 1 . . . . 85 ASP N . 15065 1 302 . 1 1 86 86 ILE C C 13 175.88 0.10 . 1 . . . . 86 ILE C . 15065 1 303 . 1 1 86 86 ILE CB C 13 37.84 0.10 . 1 . . . . 86 ILE CB . 15065 1 304 . 1 1 87 87 GLY H H 1 7.825 0.010 . 1 . . . . 87 GLY H . 15065 1 305 . 1 1 87 87 GLY C C 13 175.36 0.10 . 1 . . . . 87 GLY C . 15065 1 306 . 1 1 87 87 GLY CA C 13 44.51 0.10 . 1 . . . . 87 GLY CA . 15065 1 307 . 1 1 87 87 GLY N N 15 106.64 0.10 . 1 . . . . 87 GLY N . 15065 1 308 . 1 1 88 88 ALA H H 1 7.616 0.010 . 1 . . . . 88 ALA H . 15065 1 309 . 1 1 88 88 ALA C C 13 175.40 0.10 . 1 . . . . 88 ALA C . 15065 1 310 . 1 1 88 88 ALA CB C 13 19.43 0.10 . 1 . . . . 88 ALA CB . 15065 1 311 . 1 1 88 88 ALA N N 15 125.51 0.10 . 1 . . . . 88 ALA N . 15065 1 312 . 1 1 89 89 ALA H H 1 7.745 0.010 . 1 . . . . 89 ALA H . 15065 1 313 . 1 1 89 89 ALA C C 13 176.17 0.10 . 1 . . . . 89 ALA C . 15065 1 314 . 1 1 89 89 ALA CB C 13 21.80 0.10 . 1 . . . . 89 ALA CB . 15065 1 315 . 1 1 89 89 ALA N N 15 121.49 0.10 . 1 . . . . 89 ALA N . 15065 1 316 . 1 1 90 90 TRP H H 1 7.677 0.010 . 1 . . . . 90 TRP H . 15065 1 317 . 1 1 90 90 TRP C C 13 174.99 0.10 . 1 . . . . 90 TRP C . 15065 1 318 . 1 1 90 90 TRP CB C 13 35.87 0.10 . 1 . . . . 90 TRP CB . 15065 1 319 . 1 1 90 90 TRP N N 15 118.44 0.10 . 1 . . . . 90 TRP N . 15065 1 320 . 1 1 91 91 VAL H H 1 8.711 0.010 . 1 . . . . 91 VAL H . 15065 1 321 . 1 1 91 91 VAL C C 13 171.96 0.10 . 1 . . . . 91 VAL C . 15065 1 322 . 1 1 91 91 VAL CB C 13 34.61 0.10 . 1 . . . . 91 VAL CB . 15065 1 323 . 1 1 91 91 VAL N N 15 118.29 0.10 . 1 . . . . 91 VAL N . 15065 1 324 . 1 1 92 92 ILE H H 1 8.075 0.010 . 1 . . . . 92 ILE H . 15065 1 325 . 1 1 92 92 ILE C C 13 174.44 0.10 . 1 . . . . 92 ILE C . 15065 1 326 . 1 1 92 92 ILE CB C 13 38.59 0.10 . 1 . . . . 92 ILE CB . 15065 1 327 . 1 1 92 92 ILE N N 15 129.22 0.10 . 1 . . . . 92 ILE N . 15065 1 328 . 1 1 93 93 LEU H H 1 9.173 0.010 . 1 . . . . 93 LEU H . 15065 1 329 . 1 1 93 93 LEU C C 13 176.42 0.10 . 1 . . . . 93 LEU C . 15065 1 330 . 1 1 93 93 LEU CB C 13 46.72 0.10 . 1 . . . . 93 LEU CB . 15065 1 331 . 1 1 93 93 LEU N N 15 125.48 0.10 . 1 . . . . 93 LEU N . 15065 1 332 . 1 1 94 94 GLY H H 1 9.129 0.010 . 1 . . . . 94 GLY H . 15065 1 333 . 1 1 94 94 GLY C C 13 172.67 0.10 . 1 . . . . 94 GLY C . 15065 1 334 . 1 1 94 94 GLY CA C 13 45.16 0.10 . 1 . . . . 94 GLY CA . 15065 1 335 . 1 1 94 94 GLY N N 15 107.01 0.10 . 1 . . . . 94 GLY N . 15065 1 336 . 1 1 95 95 HIS H H 1 7.464 0.010 . 1 . . . . 95 HIS H . 15065 1 337 . 1 1 95 95 HIS CB C 13 31.74 0.10 . 1 . . . . 95 HIS CB . 15065 1 338 . 1 1 95 95 HIS N N 15 118.20 0.10 . 1 . . . . 95 HIS N . 15065 1 339 . 1 1 96 96 SER C C 13 177.35 0.10 . 1 . . . . 96 SER C . 15065 1 340 . 1 1 97 97 GLU H H 1 11.37 0.010 . 1 . . . . 97 GLU H . 15065 1 341 . 1 1 97 97 GLU C C 13 181.19 0.10 . 1 . . . . 97 GLU C . 15065 1 342 . 1 1 97 97 GLU CB C 13 27.55 0.10 . 1 . . . . 97 GLU CB . 15065 1 343 . 1 1 97 97 GLU N N 15 121.78 0.10 . 1 . . . . 97 GLU N . 15065 1 344 . 1 1 98 98 ARG H H 1 7.768 0.010 . 1 . . . . 98 ARG H . 15065 1 345 . 1 1 98 98 ARG C C 13 178.48 0.10 . 1 . . . . 98 ARG C . 15065 1 346 . 1 1 98 98 ARG CB C 13 25.74 0.10 . 1 . . . . 98 ARG CB . 15065 1 347 . 1 1 98 98 ARG N N 15 115.39 0.10 . 1 . . . . 98 ARG N . 15065 1 348 . 1 1 99 99 ARG H H 1 7.826 0.010 . 1 . . . . 99 ARG H . 15065 1 349 . 1 1 99 99 ARG C C 13 178.86 0.10 . 1 . . . . 99 ARG C . 15065 1 350 . 1 1 99 99 ARG CB C 13 29.48 0.10 . 1 . . . . 99 ARG CB . 15065 1 351 . 1 1 99 99 ARG N N 15 117.85 0.10 . 1 . . . . 99 ARG N . 15065 1 352 . 1 1 100 100 HIS H H 1 8.766 0.010 . 1 . . . . 100 HIS H . 15065 1 353 . 1 1 100 100 HIS C C 13 177.14 0.10 . 1 . . . . 100 HIS C . 15065 1 354 . 1 1 100 100 HIS CB C 13 30.30 0.10 . 1 . . . . 100 HIS CB . 15065 1 355 . 1 1 100 100 HIS N N 15 114.03 0.10 . 1 . . . . 100 HIS N . 15065 1 356 . 1 1 101 101 VAL H H 1 7.679 0.010 . 1 . . . . 101 VAL H . 15065 1 357 . 1 1 101 101 VAL C C 13 177.60 0.10 . 1 . . . . 101 VAL C . 15065 1 358 . 1 1 101 101 VAL CB C 13 30.52 0.10 . 1 . . . . 101 VAL CB . 15065 1 359 . 1 1 101 101 VAL N N 15 119.63 0.10 . 1 . . . . 101 VAL N . 15065 1 360 . 1 1 102 102 PHE H H 1 6.630 0.010 . 1 . . . . 102 PHE H . 15065 1 361 . 1 1 102 102 PHE C C 13 176.07 0.10 . 1 . . . . 102 PHE C . 15065 1 362 . 1 1 102 102 PHE CB C 13 38.81 0.10 . 1 . . . . 102 PHE CB . 15065 1 363 . 1 1 102 102 PHE N N 15 114.22 0.10 . 1 . . . . 102 PHE N . 15065 1 364 . 1 1 103 103 GLY H H 1 6.766 0.010 . 1 . . . . 103 GLY H . 15065 1 365 . 1 1 103 103 GLY C C 13 175.29 0.10 . 1 . . . . 103 GLY C . 15065 1 366 . 1 1 103 103 GLY CA C 13 46.89 0.10 . 1 . . . . 103 GLY CA . 15065 1 367 . 1 1 103 103 GLY N N 15 108.47 0.10 . 1 . . . . 103 GLY N . 15065 1 368 . 1 1 104 104 GLU H H 1 8.198 0.010 . 1 . . . . 104 GLU H . 15065 1 369 . 1 1 104 104 GLU C C 13 175.77 0.10 . 1 . . . . 104 GLU C . 15065 1 370 . 1 1 104 104 GLU CB C 13 27.99 0.10 . 1 . . . . 104 GLU CB . 15065 1 371 . 1 1 104 104 GLU N N 15 121.66 0.10 . 1 . . . . 104 GLU N . 15065 1 372 . 1 1 105 105 SER H H 1 8.173 0.010 . 1 . . . . 105 SER H . 15065 1 373 . 1 1 105 105 SER C C 13 174.43 0.10 . 1 . . . . 105 SER C . 15065 1 374 . 1 1 105 105 SER CB C 13 65.50 0.10 . 1 . . . . 105 SER CB . 15065 1 375 . 1 1 105 105 SER N N 15 120.49 0.10 . 1 . . . . 105 SER N . 15065 1 376 . 1 1 106 106 ASP H H 1 8.651 0.010 . 1 . . . . 106 ASP H . 15065 1 377 . 1 1 106 106 ASP C C 13 178.12 0.10 . 1 . . . . 106 ASP C . 15065 1 378 . 1 1 106 106 ASP CB C 13 41.01 0.10 . 1 . . . . 106 ASP CB . 15065 1 379 . 1 1 106 106 ASP N N 15 120.36 0.10 . 1 . . . . 106 ASP N . 15065 1 380 . 1 1 107 107 GLU H H 1 8.330 0.010 . 1 . . . . 107 GLU H . 15065 1 381 . 1 1 107 107 GLU C C 13 178.69 0.10 . 1 . . . . 107 GLU C . 15065 1 382 . 1 1 107 107 GLU CB C 13 29.07 0.10 . 1 . . . . 107 GLU CB . 15065 1 383 . 1 1 107 107 GLU N N 15 119.37 0.10 . 1 . . . . 107 GLU N . 15065 1 384 . 1 1 108 108 LEU H H 1 7.801 0.010 . 1 . . . . 108 LEU H . 15065 1 385 . 1 1 108 108 LEU C C 13 178.88 0.10 . 1 . . . . 108 LEU C . 15065 1 386 . 1 1 108 108 LEU CB C 13 40.02 0.10 . 1 . . . . 108 LEU CB . 15065 1 387 . 1 1 108 108 LEU N N 15 122.77 0.10 . 1 . . . . 108 LEU N . 15065 1 388 . 1 1 109 109 ILE H H 1 8.734 0.010 . 1 . . . . 109 ILE H . 15065 1 389 . 1 1 109 109 ILE C C 13 178.07 0.10 . 1 . . . . 109 ILE C . 15065 1 390 . 1 1 109 109 ILE CB C 13 37.01 0.10 . 1 . . . . 109 ILE CB . 15065 1 391 . 1 1 109 109 ILE N N 15 120.62 0.10 . 1 . . . . 109 ILE N . 15065 1 392 . 1 1 110 110 GLY H H 1 8.551 0.010 . 1 . . . . 110 GLY H . 15065 1 393 . 1 1 110 110 GLY C C 13 175.05 0.10 . 1 . . . . 110 GLY C . 15065 1 394 . 1 1 110 110 GLY CA C 13 47.56 0.10 . 1 . . . . 110 GLY CA . 15065 1 395 . 1 1 110 110 GLY N N 15 107.09 0.10 . 1 . . . . 110 GLY N . 15065 1 396 . 1 1 111 111 GLN H H 1 7.557 0.010 . 1 . . . . 111 GLN H . 15065 1 397 . 1 1 111 111 GLN C C 13 180.75 0.10 . 1 . . . . 111 GLN C . 15065 1 398 . 1 1 111 111 GLN CB C 13 27.44 0.10 . 1 . . . . 111 GLN CB . 15065 1 399 . 1 1 111 111 GLN N N 15 119.68 0.10 . 1 . . . . 111 GLN N . 15065 1 400 . 1 1 112 112 LYS H H 1 8.494 0.010 . 1 . . . . 112 LYS H . 15065 1 401 . 1 1 112 112 LYS C C 13 177.13 0.10 . 1 . . . . 112 LYS C . 15065 1 402 . 1 1 112 112 LYS CB C 13 33.26 0.10 . 1 . . . . 112 LYS CB . 15065 1 403 . 1 1 112 112 LYS N N 15 121.80 0.10 . 1 . . . . 112 LYS N . 15065 1 404 . 1 1 113 113 VAL H H 1 8.579 0.010 . 1 . . . . 113 VAL H . 15065 1 405 . 1 1 113 113 VAL C C 13 176.82 0.10 . 1 . . . . 113 VAL C . 15065 1 406 . 1 1 113 113 VAL CB C 13 30.90 0.10 . 1 . . . . 113 VAL CB . 15065 1 407 . 1 1 113 113 VAL N N 15 120.86 0.10 . 1 . . . . 113 VAL N . 15065 1 408 . 1 1 114 114 ALA H H 1 7.867 0.010 . 1 . . . . 114 ALA H . 15065 1 409 . 1 1 114 114 ALA C C 13 181.04 0.10 . 1 . . . . 114 ALA C . 15065 1 410 . 1 1 114 114 ALA CB C 13 18.44 0.10 . 1 . . . . 114 ALA CB . 15065 1 411 . 1 1 114 114 ALA N N 15 118.62 0.10 . 1 . . . . 114 ALA N . 15065 1 412 . 1 1 115 115 HIS H H 1 7.629 0.010 . 1 . . . . 115 HIS H . 15065 1 413 . 1 1 115 115 HIS C C 13 175.93 0.10 . 1 . . . . 115 HIS C . 15065 1 414 . 1 1 115 115 HIS CB C 13 28.66 0.10 . 1 . . . . 115 HIS CB . 15065 1 415 . 1 1 115 115 HIS N N 15 117.36 0.10 . 1 . . . . 115 HIS N . 15065 1 416 . 1 1 116 116 ALA H H 1 8.654 0.010 . 1 . . . . 116 ALA H . 15065 1 417 . 1 1 116 116 ALA C C 13 179.38 0.10 . 1 . . . . 116 ALA C . 15065 1 418 . 1 1 116 116 ALA CB C 13 17.07 0.10 . 1 . . . . 116 ALA CB . 15065 1 419 . 1 1 116 116 ALA N N 15 120.48 0.10 . 1 . . . . 116 ALA N . 15065 1 420 . 1 1 117 117 LEU H H 1 8.017 0.010 . 1 . . . . 117 LEU H . 15065 1 421 . 1 1 117 117 LEU C C 13 182.53 0.10 . 1 . . . . 117 LEU C . 15065 1 422 . 1 1 117 117 LEU CB C 13 41.05 0.10 . 1 . . . . 117 LEU CB . 15065 1 423 . 1 1 117 117 LEU N N 15 115.06 0.10 . 1 . . . . 117 LEU N . 15065 1 424 . 1 1 118 118 ALA H H 1 7.884 0.010 . 1 . . . . 118 ALA H . 15065 1 425 . 1 1 118 118 ALA C C 13 179.92 0.10 . 1 . . . . 118 ALA C . 15065 1 426 . 1 1 118 118 ALA CB C 13 17.66 0.10 . 1 . . . . 118 ALA CB . 15065 1 427 . 1 1 118 118 ALA N N 15 125.42 0.10 . 1 . . . . 118 ALA N . 15065 1 428 . 1 1 119 119 GLU H H 1 7.376 0.010 . 1 . . . . 119 GLU H . 15065 1 429 . 1 1 119 119 GLU C C 13 176.08 0.10 . 1 . . . . 119 GLU C . 15065 1 430 . 1 1 119 119 GLU CB C 13 30.33 0.10 . 1 . . . . 119 GLU CB . 15065 1 431 . 1 1 119 119 GLU N N 15 116.20 0.10 . 1 . . . . 119 GLU N . 15065 1 432 . 1 1 120 120 GLY H H 1 7.474 0.010 . 1 . . . . 120 GLY H . 15065 1 433 . 1 1 120 120 GLY C C 13 175.24 0.10 . 1 . . . . 120 GLY C . 15065 1 434 . 1 1 120 120 GLY CA C 13 44.91 0.10 . 1 . . . . 120 GLY CA . 15065 1 435 . 1 1 120 120 GLY N N 15 105.71 0.10 . 1 . . . . 120 GLY N . 15065 1 436 . 1 1 121 121 LEU H H 1 7.642 0.010 . 1 . . . . 121 LEU H . 15065 1 437 . 1 1 121 121 LEU C C 13 176.36 0.10 . 1 . . . . 121 LEU C . 15065 1 438 . 1 1 121 121 LEU CB C 13 42.02 0.10 . 1 . . . . 121 LEU CB . 15065 1 439 . 1 1 121 121 LEU N N 15 120.88 0.10 . 1 . . . . 121 LEU N . 15065 1 440 . 1 1 122 122 GLY H H 1 7.698 0.010 . 1 . . . . 122 GLY H . 15065 1 441 . 1 1 122 122 GLY C C 13 173.80 0.10 . 1 . . . . 122 GLY C . 15065 1 442 . 1 1 122 122 GLY CA C 13 44.46 0.10 . 1 . . . . 122 GLY CA . 15065 1 443 . 1 1 122 122 GLY N N 15 106.61 0.10 . 1 . . . . 122 GLY N . 15065 1 444 . 1 1 123 123 VAL H H 1 8.713 0.010 . 1 . . . . 123 VAL H . 15065 1 445 . 1 1 123 123 VAL C C 13 174.44 0.10 . 1 . . . . 123 VAL C . 15065 1 446 . 1 1 123 123 VAL CB C 13 36.42 0.10 . 1 . . . . 123 VAL CB . 15065 1 447 . 1 1 123 123 VAL N N 15 121.30 0.10 . 1 . . . . 123 VAL N . 15065 1 448 . 1 1 124 124 ILE H H 1 8.591 0.010 . 1 . . . . 124 ILE H . 15065 1 449 . 1 1 124 124 ILE C C 13 173.71 0.10 . 1 . . . . 124 ILE C . 15065 1 450 . 1 1 124 124 ILE CB C 13 38.25 0.10 . 1 . . . . 124 ILE CB . 15065 1 451 . 1 1 124 124 ILE N N 15 128.24 0.10 . 1 . . . . 124 ILE N . 15065 1 452 . 1 1 125 125 ALA H H 1 8.963 0.010 . 1 . . . . 125 ALA H . 15065 1 453 . 1 1 125 125 ALA CB C 13 19.46 0.10 . 1 . . . . 125 ALA CB . 15065 1 454 . 1 1 125 125 ALA N N 15 130.81 0.10 . 1 . . . . 125 ALA N . 15065 1 455 . 1 1 126 126 CYS C C 13 172.48 0.10 . 1 . . . . 126 CYS C . 15065 1 456 . 1 1 126 126 CYS CB C 13 28.46 0.10 . 1 . . . . 126 CYS CB . 15065 1 457 . 1 1 127 127 ILE H H 1 8.546 0.010 . 1 . . . . 127 ILE H . 15065 1 458 . 1 1 127 127 ILE C C 13 175.85 0.10 . 1 . . . . 127 ILE C . 15065 1 459 . 1 1 127 127 ILE CB C 13 40.30 0.10 . 1 . . . . 127 ILE CB . 15065 1 460 . 1 1 127 127 ILE N N 15 124.25 0.10 . 1 . . . . 127 ILE N . 15065 1 461 . 1 1 128 128 GLY H H 1 9.738 0.010 . 1 . . . . 128 GLY H . 15065 1 462 . 1 1 128 128 GLY C C 13 171.54 0.10 . 1 . . . . 128 GLY C . 15065 1 463 . 1 1 128 128 GLY CA C 13 46.32 0.10 . 1 . . . . 128 GLY CA . 15065 1 464 . 1 1 128 128 GLY N N 15 109.14 0.10 . 1 . . . . 128 GLY N . 15065 1 465 . 1 1 129 129 GLU H H 1 9.967 0.010 . 1 . . . . 129 GLU H . 15065 1 466 . 1 1 129 129 GLU C C 13 174.80 0.10 . 1 . . . . 129 GLU C . 15065 1 467 . 1 1 129 129 GLU CB C 13 29.17 0.10 . 1 . . . . 129 GLU CB . 15065 1 468 . 1 1 129 129 GLU N N 15 128.86 0.10 . 1 . . . . 129 GLU N . 15065 1 469 . 1 1 130 130 LYS H H 1 9.573 0.010 . 1 . . . . 130 LYS H . 15065 1 470 . 1 1 130 130 LYS C C 13 178.69 0.10 . 1 . . . . 130 LYS C . 15065 1 471 . 1 1 130 130 LYS CB C 13 33.86 0.10 . 1 . . . . 130 LYS CB . 15065 1 472 . 1 1 130 130 LYS N N 15 121.54 0.10 . 1 . . . . 130 LYS N . 15065 1 473 . 1 1 131 131 LEU H H 1 9.744 0.010 . 1 . . . . 131 LEU H . 15065 1 474 . 1 1 131 131 LEU C C 13 177.88 0.10 . 1 . . . . 131 LEU C . 15065 1 475 . 1 1 131 131 LEU CB C 13 40.79 0.10 . 1 . . . . 131 LEU CB . 15065 1 476 . 1 1 131 131 LEU N N 15 124.58 0.10 . 1 . . . . 131 LEU N . 15065 1 477 . 1 1 132 132 ASP H H 1 8.742 0.010 . 1 . . . . 132 ASP H . 15065 1 478 . 1 1 132 132 ASP C C 13 179.01 0.10 . 1 . . . . 132 ASP C . 15065 1 479 . 1 1 132 132 ASP CB C 13 38.46 0.10 . 1 . . . . 132 ASP CB . 15065 1 480 . 1 1 132 132 ASP N N 15 114.92 0.10 . 1 . . . . 132 ASP N . 15065 1 481 . 1 1 133 133 GLU H H 1 6.873 0.010 . 1 . . . . 133 GLU H . 15065 1 482 . 1 1 133 133 GLU CB C 13 29.36 0.10 . 1 . . . . 133 GLU CB . 15065 1 483 . 1 1 133 133 GLU N N 15 122.49 0.10 . 1 . . . . 133 GLU N . 15065 1 484 . 1 1 134 134 ARG C C 13 181.37 0.10 . 1 . . . . 134 ARG C . 15065 1 485 . 1 1 135 135 GLU H H 1 8.887 0.010 . 1 . . . . 135 GLU H . 15065 1 486 . 1 1 135 135 GLU C C 13 177.71 0.10 . 1 . . . . 135 GLU C . 15065 1 487 . 1 1 135 135 GLU CB C 13 28.57 0.10 . 1 . . . . 135 GLU CB . 15065 1 488 . 1 1 135 135 GLU N N 15 121.12 0.10 . 1 . . . . 135 GLU N . 15065 1 489 . 1 1 136 136 ALA H H 1 7.446 0.010 . 1 . . . . 136 ALA H . 15065 1 490 . 1 1 136 136 ALA C C 13 177.71 0.10 . 1 . . . . 136 ALA C . 15065 1 491 . 1 1 136 136 ALA CB C 13 18.89 0.10 . 1 . . . . 136 ALA CB . 15065 1 492 . 1 1 136 136 ALA N N 15 119.47 0.10 . 1 . . . . 136 ALA N . 15065 1 493 . 1 1 137 137 GLY H H 1 7.768 0.010 . 1 . . . . 137 GLY H . 15065 1 494 . 1 1 137 137 GLY C C 13 176.62 0.10 . 1 . . . . 137 GLY C . 15065 1 495 . 1 1 137 137 GLY CA C 13 45.59 0.10 . 1 . . . . 137 GLY CA . 15065 1 496 . 1 1 137 137 GLY N N 15 106.36 0.10 . 1 . . . . 137 GLY N . 15065 1 497 . 1 1 138 138 ILE H H 1 7.713 0.010 . 1 . . . . 138 ILE H . 15065 1 498 . 1 1 138 138 ILE C C 13 174.37 0.10 . 1 . . . . 138 ILE C . 15065 1 499 . 1 1 138 138 ILE CB C 13 37.29 0.10 . 1 . . . . 138 ILE CB . 15065 1 500 . 1 1 138 138 ILE N N 15 112.03 0.10 . 1 . . . . 138 ILE N . 15065 1 501 . 1 1 139 139 THR H H 1 7.453 0.010 . 1 . . . . 139 THR H . 15065 1 502 . 1 1 139 139 THR C C 13 174.88 0.10 . 1 . . . . 139 THR C . 15065 1 503 . 1 1 139 139 THR N N 15 118.53 0.10 . 1 . . . . 139 THR N . 15065 1 504 . 1 1 140 140 GLU H H 1 8.489 0.010 . 1 . . . . 140 GLU H . 15065 1 505 . 1 1 140 140 GLU C C 13 175.55 0.10 . 1 . . . . 140 GLU C . 15065 1 506 . 1 1 140 140 GLU CB C 13 28.19 0.10 . 1 . . . . 140 GLU CB . 15065 1 507 . 1 1 140 140 GLU N N 15 117.60 0.10 . 1 . . . . 140 GLU N . 15065 1 508 . 1 1 141 141 LYS H H 1 7.064 0.010 . 1 . . . . 141 LYS H . 15065 1 509 . 1 1 141 141 LYS C C 13 179.48 0.10 . 1 . . . . 141 LYS C . 15065 1 510 . 1 1 141 141 LYS CB C 13 31.76 0.10 . 1 . . . . 141 LYS CB . 15065 1 511 . 1 1 141 141 LYS N N 15 118.21 0.10 . 1 . . . . 141 LYS N . 15065 1 512 . 1 1 142 142 VAL H H 1 7.827 0.010 . 1 . . . . 142 VAL H . 15065 1 513 . 1 1 142 142 VAL C C 13 178.86 0.10 . 1 . . . . 142 VAL C . 15065 1 514 . 1 1 142 142 VAL CB C 13 31.66 0.10 . 1 . . . . 142 VAL CB . 15065 1 515 . 1 1 142 142 VAL N N 15 118.36 0.10 . 1 . . . . 142 VAL N . 15065 1 516 . 1 1 143 143 VAL H H 1 8.527 0.010 . 1 . . . . 143 VAL H . 15065 1 517 . 1 1 143 143 VAL C C 13 180.45 0.10 . 1 . . . . 143 VAL C . 15065 1 518 . 1 1 143 143 VAL CB C 13 30.76 0.10 . 1 . . . . 143 VAL CB . 15065 1 519 . 1 1 143 143 VAL N N 15 114.41 0.10 . 1 . . . . 143 VAL N . 15065 1 520 . 1 1 144 144 PHE H H 1 8.875 0.010 . 1 . . . . 144 PHE H . 15065 1 521 . 1 1 144 144 PHE C C 13 177.98 0.10 . 1 . . . . 144 PHE C . 15065 1 522 . 1 1 144 144 PHE CB C 13 35.10 0.10 . 1 . . . . 144 PHE CB . 15065 1 523 . 1 1 144 144 PHE N N 15 124.24 0.10 . 1 . . . . 144 PHE N . 15065 1 524 . 1 1 145 145 GLU H H 1 7.934 0.010 . 1 . . . . 145 GLU H . 15065 1 525 . 1 1 145 145 GLU C C 13 180.04 0.10 . 1 . . . . 145 GLU C . 15065 1 526 . 1 1 145 145 GLU CB C 13 28.36 0.10 . 1 . . . . 145 GLU CB . 15065 1 527 . 1 1 145 145 GLU N N 15 122.79 0.10 . 1 . . . . 145 GLU N . 15065 1 528 . 1 1 146 146 GLN H H 1 8.112 0.010 . 1 . . . . 146 GLN H . 15065 1 529 . 1 1 146 146 GLN C C 13 180.08 0.10 . 1 . . . . 146 GLN C . 15065 1 530 . 1 1 146 146 GLN CB C 13 28.50 0.10 . 1 . . . . 146 GLN CB . 15065 1 531 . 1 1 146 146 GLN N N 15 119.60 0.10 . 1 . . . . 146 GLN N . 15065 1 532 . 1 1 147 147 THR H H 1 8.079 0.010 . 1 . . . . 147 THR H . 15065 1 533 . 1 1 147 147 THR C C 13 175.51 0.10 . 1 . . . . 147 THR C . 15065 1 534 . 1 1 147 147 THR CB C 13 66.61 0.10 . 1 . . . . 147 THR CB . 15065 1 535 . 1 1 147 147 THR N N 15 118.13 0.10 . 1 . . . . 147 THR N . 15065 1 536 . 1 1 148 148 LYS H H 1 8.086 0.010 . 1 . . . . 148 LYS H . 15065 1 537 . 1 1 148 148 LYS C C 13 176.76 0.10 . 1 . . . . 148 LYS C . 15065 1 538 . 1 1 148 148 LYS CB C 13 31.53 0.10 . 1 . . . . 148 LYS CB . 15065 1 539 . 1 1 148 148 LYS N N 15 124.37 0.10 . 1 . . . . 148 LYS N . 15065 1 540 . 1 1 149 149 ALA H H 1 7.095 0.010 . 1 . . . . 149 ALA H . 15065 1 541 . 1 1 149 149 ALA C C 13 179.80 0.10 . 1 . . . . 149 ALA C . 15065 1 542 . 1 1 149 149 ALA CB C 13 17.81 0.10 . 1 . . . . 149 ALA CB . 15065 1 543 . 1 1 149 149 ALA N N 15 118.40 0.10 . 1 . . . . 149 ALA N . 15065 1 544 . 1 1 150 150 ILE H H 1 6.939 0.010 . 1 . . . . 150 ILE H . 15065 1 545 . 1 1 150 150 ILE C C 13 177.08 0.10 . 1 . . . . 150 ILE C . 15065 1 546 . 1 1 150 150 ILE CB C 13 38.15 0.10 . 1 . . . . 150 ILE CB . 15065 1 547 . 1 1 150 150 ILE N N 15 117.38 0.10 . 1 . . . . 150 ILE N . 15065 1 548 . 1 1 151 151 ALA H H 1 9.466 0.010 . 1 . . . . 151 ALA H . 15065 1 549 . 1 1 151 151 ALA C C 13 180.14 0.10 . 1 . . . . 151 ALA C . 15065 1 550 . 1 1 151 151 ALA CB C 13 19.57 0.10 . 1 . . . . 151 ALA CB . 15065 1 551 . 1 1 151 151 ALA N N 15 122.55 0.10 . 1 . . . . 151 ALA N . 15065 1 552 . 1 1 152 152 ASP H H 1 8.760 0.010 . 1 . . . . 152 ASP H . 15065 1 553 . 1 1 152 152 ASP C C 13 176.47 0.10 . 1 . . . . 152 ASP C . 15065 1 554 . 1 1 152 152 ASP CB C 13 39.98 0.10 . 1 . . . . 152 ASP CB . 15065 1 555 . 1 1 152 152 ASP N N 15 117.75 0.10 . 1 . . . . 152 ASP N . 15065 1 556 . 1 1 153 153 ASN H H 1 8.195 0.010 . 1 . . . . 153 ASN H . 15065 1 557 . 1 1 153 153 ASN C C 13 172.95 0.10 . 1 . . . . 153 ASN C . 15065 1 558 . 1 1 153 153 ASN CB C 13 42.03 0.10 . 1 . . . . 153 ASN CB . 15065 1 559 . 1 1 153 153 ASN N N 15 117.75 0.10 . 1 . . . . 153 ASN N . 15065 1 560 . 1 1 154 154 VAL H H 1 7.289 0.010 . 1 . . . . 154 VAL H . 15065 1 561 . 1 1 154 154 VAL C C 13 175.31 0.10 . 1 . . . . 154 VAL C . 15065 1 562 . 1 1 154 154 VAL CB C 13 33.46 0.10 . 1 . . . . 154 VAL CB . 15065 1 563 . 1 1 154 154 VAL N N 15 121.31 0.10 . 1 . . . . 154 VAL N . 15065 1 564 . 1 1 155 155 LYS H H 1 7.970 0.010 . 1 . . . . 155 LYS H . 15065 1 565 . 1 1 155 155 LYS C C 13 175.96 0.10 . 1 . . . . 155 LYS C . 15065 1 566 . 1 1 155 155 LYS CB C 13 32.07 0.10 . 1 . . . . 155 LYS CB . 15065 1 567 . 1 1 155 155 LYS N N 15 125.77 0.10 . 1 . . . . 155 LYS N . 15065 1 568 . 1 1 156 156 ASP H H 1 7.386 0.010 . 1 . . . . 156 ASP H . 15065 1 569 . 1 1 156 156 ASP C C 13 175.62 0.10 . 1 . . . . 156 ASP C . 15065 1 570 . 1 1 156 156 ASP CB C 13 40.83 0.10 . 1 . . . . 156 ASP CB . 15065 1 571 . 1 1 156 156 ASP N N 15 120.02 0.10 . 1 . . . . 156 ASP N . 15065 1 572 . 1 1 157 157 TRP H H 1 8.885 0.010 . 1 . . . . 157 TRP H . 15065 1 573 . 1 1 157 157 TRP C C 13 177.93 0.10 . 1 . . . . 157 TRP C . 15065 1 574 . 1 1 157 157 TRP CB C 13 28.63 0.10 . 1 . . . . 157 TRP CB . 15065 1 575 . 1 1 157 157 TRP N N 15 126.28 0.10 . 1 . . . . 157 TRP N . 15065 1 576 . 1 1 158 158 SER H H 1 8.621 0.010 . 1 . . . . 158 SER H . 15065 1 577 . 1 1 158 158 SER C C 13 175.73 0.10 . 1 . . . . 158 SER C . 15065 1 578 . 1 1 158 158 SER CB C 13 62.98 0.10 . 1 . . . . 158 SER CB . 15065 1 579 . 1 1 158 158 SER N N 15 118.74 0.10 . 1 . . . . 158 SER N . 15065 1 580 . 1 1 159 159 LYS H H 1 8.061 0.010 . 1 . . . . 159 LYS H . 15065 1 581 . 1 1 159 159 LYS C C 13 172.73 0.10 . 1 . . . . 159 LYS C . 15065 1 582 . 1 1 159 159 LYS CB C 13 31.34 0.10 . 1 . . . . 159 LYS CB . 15065 1 583 . 1 1 159 159 LYS N N 15 122.36 0.10 . 1 . . . . 159 LYS N . 15065 1 584 . 1 1 160 160 VAL H H 1 7.155 0.010 . 1 . . . . 160 VAL H . 15065 1 585 . 1 1 160 160 VAL C C 13 174.67 0.10 . 1 . . . . 160 VAL C . 15065 1 586 . 1 1 160 160 VAL CB C 13 33.50 0.10 . 1 . . . . 160 VAL CB . 15065 1 587 . 1 1 160 160 VAL N N 15 118.04 0.10 . 1 . . . . 160 VAL N . 15065 1 588 . 1 1 161 161 VAL H H 1 9.019 0.010 . 1 . . . . 161 VAL H . 15065 1 589 . 1 1 161 161 VAL CB C 13 34.27 0.10 . 1 . . . . 161 VAL CB . 15065 1 590 . 1 1 161 161 VAL N N 15 129.03 0.10 . 1 . . . . 161 VAL N . 15065 1 591 . 1 1 162 162 LEU C C 13 173.79 0.10 . 1 . . . . 162 LEU C . 15065 1 592 . 1 1 163 163 ALA H H 1 9.025 0.010 . 1 . . . . 163 ALA H . 15065 1 593 . 1 1 163 163 ALA CB C 13 21.00 0.10 . 1 . . . . 163 ALA CB . 15065 1 594 . 1 1 163 163 ALA N N 15 127.53 0.10 . 1 . . . . 163 ALA N . 15065 1 595 . 1 1 166 166 PRO C C 13 179.50 0.10 . 1 . . . . 166 PRO C . 15065 1 596 . 1 1 166 166 PRO CB C 13 28.70 0.10 . 1 . . . . 166 PRO CB . 15065 1 597 . 1 1 167 167 VAL CB C 13 31.62 0.10 . 1 . . . . 167 VAL CB . 15065 1 598 . 1 1 168 168 TRP C C 13 175.97 0.10 . 1 . . . . 168 TRP C . 15065 1 599 . 1 1 169 169 ALA H H 1 7.267 0.010 . 1 . . . . 169 ALA H . 15065 1 600 . 1 1 169 169 ALA C C 13 176.79 0.10 . 1 . . . . 169 ALA C . 15065 1 601 . 1 1 169 169 ALA CB C 13 21.25 0.10 . 1 . . . . 169 ALA CB . 15065 1 602 . 1 1 169 169 ALA N N 15 125.89 0.10 . 1 . . . . 169 ALA N . 15065 1 603 . 1 1 170 170 ILE H H 1 6.905 0.010 . 1 . . . . 170 ILE H . 15065 1 604 . 1 1 170 170 ILE C C 13 177.99 0.10 . 1 . . . . 170 ILE C . 15065 1 605 . 1 1 170 170 ILE CB C 13 37.07 0.10 . 1 . . . . 170 ILE CB . 15065 1 606 . 1 1 170 170 ILE N N 15 121.40 0.10 . 1 . . . . 170 ILE N . 15065 1 607 . 1 1 171 171 GLY H H 1 11.32 0.010 . 1 . . . . 171 GLY H . 15065 1 608 . 1 1 171 171 GLY C C 13 174.93 0.10 . 1 . . . . 171 GLY C . 15065 1 609 . 1 1 171 171 GLY CA C 13 45.63 0.10 . 1 . . . . 171 GLY CA . 15065 1 610 . 1 1 171 171 GLY N N 15 123.23 0.10 . 1 . . . . 171 GLY N . 15065 1 611 . 1 1 172 172 THR H H 1 6.609 0.010 . 1 . . . . 172 THR H . 15065 1 612 . 1 1 172 172 THR C C 13 176.16 0.10 . 1 . . . . 172 THR C . 15065 1 613 . 1 1 172 172 THR CB C 13 71.14 0.10 . 1 . . . . 172 THR CB . 15065 1 614 . 1 1 172 172 THR N N 15 106.43 0.10 . 1 . . . . 172 THR N . 15065 1 615 . 1 1 173 173 GLY H H 1 8.221 0.010 . 1 . . . . 173 GLY H . 15065 1 616 . 1 1 173 173 GLY C C 13 178.89 0.10 . 1 . . . . 173 GLY C . 15065 1 617 . 1 1 173 173 GLY CA C 13 44.87 0.10 . 1 . . . . 173 GLY CA . 15065 1 618 . 1 1 173 173 GLY N N 15 112.41 0.10 . 1 . . . . 173 GLY N . 15065 1 619 . 1 1 174 174 LYS H H 1 8.042 0.010 . 1 . . . . 174 LYS H . 15065 1 620 . 1 1 174 174 LYS C C 13 172.40 0.10 . 1 . . . . 174 LYS C . 15065 1 621 . 1 1 174 174 LYS CB C 13 29.40 0.10 . 1 . . . . 174 LYS CB . 15065 1 622 . 1 1 174 174 LYS N N 15 120.73 0.10 . 1 . . . . 174 LYS N . 15065 1 623 . 1 1 175 175 THR H H 1 7.299 0.010 . 1 . . . . 175 THR H . 15065 1 624 . 1 1 175 175 THR C C 13 176.50 0.10 . 1 . . . . 175 THR C . 15065 1 625 . 1 1 175 175 THR CB C 13 69.89 0.10 . 1 . . . . 175 THR CB . 15065 1 626 . 1 1 175 175 THR N N 15 114.25 0.10 . 1 . . . . 175 THR N . 15065 1 627 . 1 1 176 176 ALA H H 1 8.219 0.010 . 1 . . . . 176 ALA H . 15065 1 628 . 1 1 176 176 ALA C C 13 177.40 0.10 . 1 . . . . 176 ALA C . 15065 1 629 . 1 1 176 176 ALA CB C 13 18.65 0.10 . 1 . . . . 176 ALA CB . 15065 1 630 . 1 1 176 176 ALA N N 15 130.31 0.10 . 1 . . . . 176 ALA N . 15065 1 631 . 1 1 177 177 THR H H 1 8.874 0.010 . 1 . . . . 177 THR H . 15065 1 632 . 1 1 177 177 THR CB C 13 67.28 0.10 . 1 . . . . 177 THR CB . 15065 1 633 . 1 1 177 177 THR N N 15 112.89 0.10 . 1 . . . . 177 THR N . 15065 1 634 . 1 1 178 178 PRO C C 13 177.49 0.10 . 1 . . . . 178 PRO C . 15065 1 635 . 1 1 178 178 PRO CB C 13 30.85 0.10 . 1 . . . . 178 PRO CB . 15065 1 636 . 1 1 179 179 GLN H H 1 7.824 0.010 . 1 . . . . 179 GLN H . 15065 1 637 . 1 1 179 179 GLN C C 13 175.44 0.10 . 1 . . . . 179 GLN C . 15065 1 638 . 1 1 179 179 GLN CB C 13 27.07 0.10 . 1 . . . . 179 GLN CB . 15065 1 639 . 1 1 179 179 GLN N N 15 113.67 0.10 . 1 . . . . 179 GLN N . 15065 1 640 . 1 1 180 180 GLN H H 1 7.915 0.010 . 1 . . . . 180 GLN H . 15065 1 641 . 1 1 180 180 GLN C C 13 180.40 0.10 . 1 . . . . 180 GLN C . 15065 1 642 . 1 1 180 180 GLN CB C 13 29.15 0.10 . 1 . . . . 180 GLN CB . 15065 1 643 . 1 1 180 180 GLN N N 15 121.92 0.10 . 1 . . . . 180 GLN N . 15065 1 644 . 1 1 181 181 ALA H H 1 8.298 0.010 . 1 . . . . 181 ALA H . 15065 1 645 . 1 1 181 181 ALA C C 13 177.43 0.10 . 1 . . . . 181 ALA C . 15065 1 646 . 1 1 181 181 ALA CB C 13 16.72 0.10 . 1 . . . . 181 ALA CB . 15065 1 647 . 1 1 181 181 ALA N N 15 121.73 0.10 . 1 . . . . 181 ALA N . 15065 1 648 . 1 1 182 182 GLN H H 1 8.317 0.010 . 1 . . . . 182 GLN H . 15065 1 649 . 1 1 182 182 GLN C C 13 177.48 0.10 . 1 . . . . 182 GLN C . 15065 1 650 . 1 1 182 182 GLN CB C 13 26.61 0.10 . 1 . . . . 182 GLN CB . 15065 1 651 . 1 1 182 182 GLN N N 15 117.46 0.10 . 1 . . . . 182 GLN N . 15065 1 652 . 1 1 183 183 GLU H H 1 7.923 0.010 . 1 . . . . 183 GLU H . 15065 1 653 . 1 1 183 183 GLU C C 13 179.13 0.10 . 1 . . . . 183 GLU C . 15065 1 654 . 1 1 183 183 GLU CB C 13 29.15 0.10 . 1 . . . . 183 GLU CB . 15065 1 655 . 1 1 183 183 GLU N N 15 116.44 0.10 . 1 . . . . 183 GLU N . 15065 1 656 . 1 1 184 184 VAL H H 1 7.137 0.010 . 1 . . . . 184 VAL H . 15065 1 657 . 1 1 184 184 VAL C C 13 178.00 0.10 . 1 . . . . 184 VAL C . 15065 1 658 . 1 1 184 184 VAL CB C 13 31.79 0.10 . 1 . . . . 184 VAL CB . 15065 1 659 . 1 1 184 184 VAL N N 15 118.04 0.10 . 1 . . . . 184 VAL N . 15065 1 660 . 1 1 185 185 HIS H H 1 9.216 0.010 . 1 . . . . 185 HIS H . 15065 1 661 . 1 1 185 185 HIS C C 13 177.78 0.10 . 1 . . . . 185 HIS C . 15065 1 662 . 1 1 185 185 HIS CB C 13 28.00 0.10 . 1 . . . . 185 HIS CB . 15065 1 663 . 1 1 185 185 HIS N N 15 121.42 0.10 . 1 . . . . 185 HIS N . 15065 1 664 . 1 1 186 186 GLU H H 1 8.979 0.010 . 1 . . . . 186 GLU H . 15065 1 665 . 1 1 186 186 GLU C C 13 180.23 0.10 . 1 . . . . 186 GLU C . 15065 1 666 . 1 1 186 186 GLU CB C 13 28.63 0.10 . 1 . . . . 186 GLU CB . 15065 1 667 . 1 1 186 186 GLU N N 15 118.88 0.10 . 1 . . . . 186 GLU N . 15065 1 668 . 1 1 187 187 LYS H H 1 7.564 0.010 . 1 . . . . 187 LYS H . 15065 1 669 . 1 1 187 187 LYS C C 13 180.46 0.10 . 1 . . . . 187 LYS C . 15065 1 670 . 1 1 187 187 LYS CB C 13 31.60 0.10 . 1 . . . . 187 LYS CB . 15065 1 671 . 1 1 187 187 LYS N N 15 121.99 0.10 . 1 . . . . 187 LYS N . 15065 1 672 . 1 1 188 188 LEU H H 1 9.093 0.010 . 1 . . . . 188 LEU H . 15065 1 673 . 1 1 188 188 LEU C C 13 178.32 0.10 . 1 . . . . 188 LEU C . 15065 1 674 . 1 1 188 188 LEU CB C 13 41.91 0.10 . 1 . . . . 188 LEU CB . 15065 1 675 . 1 1 188 188 LEU N N 15 123.69 0.10 . 1 . . . . 188 LEU N . 15065 1 676 . 1 1 189 189 ARG H H 1 8.703 0.010 . 1 . . . . 189 ARG H . 15065 1 677 . 1 1 189 189 ARG C C 13 179.43 0.10 . 1 . . . . 189 ARG C . 15065 1 678 . 1 1 189 189 ARG CB C 13 27.92 0.10 . 1 . . . . 189 ARG CB . 15065 1 679 . 1 1 189 189 ARG N N 15 122.64 0.10 . 1 . . . . 189 ARG N . 15065 1 680 . 1 1 190 190 GLY H H 1 8.156 0.010 . 1 . . . . 190 GLY H . 15065 1 681 . 1 1 190 190 GLY C C 13 176.28 0.10 . 1 . . . . 190 GLY C . 15065 1 682 . 1 1 190 190 GLY CA C 13 46.38 0.10 . 1 . . . . 190 GLY CA . 15065 1 683 . 1 1 190 190 GLY N N 15 106.03 0.10 . 1 . . . . 190 GLY N . 15065 1 684 . 1 1 191 191 TRP H H 1 8.355 0.010 . 1 . . . . 191 TRP H . 15065 1 685 . 1 1 191 191 TRP C C 13 177.97 0.10 . 1 . . . . 191 TRP C . 15065 1 686 . 1 1 191 191 TRP CB C 13 28.63 0.10 . 1 . . . . 191 TRP CB . 15065 1 687 . 1 1 191 191 TRP N N 15 127.46 0.10 . 1 . . . . 191 TRP N . 15065 1 688 . 1 1 192 192 LEU C C 13 178.50 0.10 . 1 . . . . 192 LEU C . 15065 1 689 . 1 1 193 193 LYS H H 1 8.002 0.010 . 1 . . . . 193 LYS H . 15065 1 690 . 1 1 193 193 LYS C C 13 176.81 0.10 . 1 . . . . 193 LYS C . 15065 1 691 . 1 1 193 193 LYS CB C 13 31.50 0.10 . 1 . . . . 193 LYS CB . 15065 1 692 . 1 1 193 193 LYS N N 15 121.08 0.10 . 1 . . . . 193 LYS N . 15065 1 693 . 1 1 194 194 SER H H 1 7.516 0.010 . 1 . . . . 194 SER H . 15065 1 694 . 1 1 194 194 SER C C 13 175.66 0.10 . 1 . . . . 194 SER C . 15065 1 695 . 1 1 194 194 SER CB C 13 63.63 0.10 . 1 . . . . 194 SER CB . 15065 1 696 . 1 1 194 194 SER N N 15 110.40 0.10 . 1 . . . . 194 SER N . 15065 1 697 . 1 1 195 195 HIS H H 1 7.935 0.010 . 1 . . . . 195 HIS H . 15065 1 698 . 1 1 195 195 HIS C C 13 174.54 0.10 . 1 . . . . 195 HIS C . 15065 1 699 . 1 1 195 195 HIS CB C 13 27.31 0.10 . 1 . . . . 195 HIS CB . 15065 1 700 . 1 1 195 195 HIS N N 15 115.74 0.10 . 1 . . . . 195 HIS N . 15065 1 701 . 1 1 196 196 VAL H H 1 7.710 0.010 . 1 . . . . 196 VAL H . 15065 1 702 . 1 1 196 196 VAL C C 13 174.47 0.10 . 1 . . . . 196 VAL C . 15065 1 703 . 1 1 196 196 VAL CB C 13 31.57 0.10 . 1 . . . . 196 VAL CB . 15065 1 704 . 1 1 196 196 VAL N N 15 121.65 0.10 . 1 . . . . 196 VAL N . 15065 1 705 . 1 1 197 197 SER H H 1 7.579 0.010 . 1 . . . . 197 SER H . 15065 1 706 . 1 1 197 197 SER C C 13 174.04 0.10 . 1 . . . . 197 SER C . 15065 1 707 . 1 1 197 197 SER CB C 13 63.75 0.10 . 1 . . . . 197 SER CB . 15065 1 708 . 1 1 197 197 SER N N 15 112.56 0.10 . 1 . . . . 197 SER N . 15065 1 709 . 1 1 198 198 ASP H H 1 8.944 0.010 . 1 . . . . 198 ASP H . 15065 1 710 . 1 1 198 198 ASP C C 13 177.73 0.10 . 1 . . . . 198 ASP C . 15065 1 711 . 1 1 198 198 ASP CB C 13 40.84 0.10 . 1 . . . . 198 ASP CB . 15065 1 712 . 1 1 198 198 ASP N N 15 122.47 0.10 . 1 . . . . 198 ASP N . 15065 1 713 . 1 1 199 199 ALA H H 1 8.289 0.010 . 1 . . . . 199 ALA H . 15065 1 714 . 1 1 199 199 ALA C C 13 181.18 0.10 . 1 . . . . 199 ALA C . 15065 1 715 . 1 1 199 199 ALA CB C 13 17.56 0.10 . 1 . . . . 199 ALA CB . 15065 1 716 . 1 1 199 199 ALA N N 15 121.42 0.10 . 1 . . . . 199 ALA N . 15065 1 717 . 1 1 200 200 VAL H H 1 7.760 0.010 . 1 . . . . 200 VAL H . 15065 1 718 . 1 1 200 200 VAL C C 13 179.24 0.10 . 1 . . . . 200 VAL C . 15065 1 719 . 1 1 200 200 VAL CB C 13 30.75 0.10 . 1 . . . . 200 VAL CB . 15065 1 720 . 1 1 200 200 VAL N N 15 120.64 0.10 . 1 . . . . 200 VAL N . 15065 1 721 . 1 1 201 201 ALA H H 1 7.888 0.010 . 1 . . . . 201 ALA H . 15065 1 722 . 1 1 201 201 ALA C C 13 177.74 0.10 . 1 . . . . 201 ALA C . 15065 1 723 . 1 1 201 201 ALA CB C 13 18.39 0.10 . 1 . . . . 201 ALA CB . 15065 1 724 . 1 1 201 201 ALA N N 15 125.87 0.10 . 1 . . . . 201 ALA N . 15065 1 725 . 1 1 202 202 GLN H H 1 7.984 0.010 . 1 . . . . 202 GLN H . 15065 1 726 . 1 1 202 202 GLN C C 13 178.27 0.10 . 1 . . . . 202 GLN C . 15065 1 727 . 1 1 202 202 GLN CB C 13 27.96 0.10 . 1 . . . . 202 GLN CB . 15065 1 728 . 1 1 202 202 GLN N N 15 111.15 0.10 . 1 . . . . 202 GLN N . 15065 1 729 . 1 1 203 203 SER H H 1 7.684 0.010 . 1 . . . . 203 SER H . 15065 1 730 . 1 1 203 203 SER C C 13 174.82 0.10 . 1 . . . . 203 SER C . 15065 1 731 . 1 1 203 203 SER CB C 13 65.11 0.10 . 1 . . . . 203 SER CB . 15065 1 732 . 1 1 203 203 SER N N 15 112.03 0.10 . 1 . . . . 203 SER N . 15065 1 733 . 1 1 204 204 THR H H 1 7.299 0.010 . 1 . . . . 204 THR H . 15065 1 734 . 1 1 204 204 THR C C 13 172.63 0.10 . 1 . . . . 204 THR C . 15065 1 735 . 1 1 204 204 THR CB C 13 69.12 0.10 . 1 . . . . 204 THR CB . 15065 1 736 . 1 1 204 204 THR N N 15 122.00 0.10 . 1 . . . . 204 THR N . 15065 1 737 . 1 1 205 205 ARG H H 1 9.309 0.010 . 1 . . . . 205 ARG H . 15065 1 738 . 1 1 205 205 ARG C C 13 174.19 0.10 . 1 . . . . 205 ARG C . 15065 1 739 . 1 1 205 205 ARG CB C 13 27.74 0.10 . 1 . . . . 205 ARG CB . 15065 1 740 . 1 1 205 205 ARG N N 15 129.02 0.10 . 1 . . . . 205 ARG N . 15065 1 741 . 1 1 206 206 ILE H H 1 9.876 0.010 . 1 . . . . 206 ILE H . 15065 1 742 . 1 1 206 206 ILE CB C 13 37.73 0.10 . 1 . . . . 206 ILE CB . 15065 1 743 . 1 1 206 206 ILE N N 15 124.79 0.10 . 1 . . . . 206 ILE N . 15065 1 744 . 1 1 208 208 TYR C C 13 175.22 0.10 . 1 . . . . 208 TYR C . 15065 1 745 . 1 1 208 208 TYR CB C 13 41.08 0.10 . 1 . . . . 208 TYR CB . 15065 1 746 . 1 1 209 209 GLY H H 1 8.002 0.010 . 1 . . . . 209 GLY H . 15065 1 747 . 1 1 209 209 GLY CA C 13 45.62 0.10 . 1 . . . . 209 GLY CA . 15065 1 748 . 1 1 209 209 GLY N N 15 116.48 0.10 . 1 . . . . 209 GLY N . 15065 1 749 . 1 1 211 211 SER C C 13 179.89 0.10 . 1 . . . . 211 SER C . 15065 1 750 . 1 1 211 211 SER CB C 13 62.86 0.10 . 1 . . . . 211 SER CB . 15065 1 751 . 1 1 212 212 VAL H H 1 8.535 0.010 . 1 . . . . 212 VAL H . 15065 1 752 . 1 1 212 212 VAL C C 13 174.98 0.10 . 1 . . . . 212 VAL C . 15065 1 753 . 1 1 212 212 VAL CB C 13 30.55 0.10 . 1 . . . . 212 VAL CB . 15065 1 754 . 1 1 212 212 VAL N N 15 119.35 0.10 . 1 . . . . 212 VAL N . 15065 1 755 . 1 1 213 213 THR H H 1 9.388 0.010 . 1 . . . . 213 THR H . 15065 1 756 . 1 1 213 213 THR C C 13 175.39 0.10 . 1 . . . . 213 THR C . 15065 1 757 . 1 1 213 213 THR CB C 13 72.55 0.10 . 1 . . . . 213 THR CB . 15065 1 758 . 1 1 213 213 THR N N 15 118.21 0.10 . 1 . . . . 213 THR N . 15065 1 759 . 1 1 214 214 GLY H H 1 9.980 0.010 . 1 . . . . 214 GLY H . 15065 1 760 . 1 1 214 214 GLY C C 13 175.69 0.10 . 1 . . . . 214 GLY C . 15065 1 761 . 1 1 214 214 GLY CA C 13 46.35 0.10 . 1 . . . . 214 GLY CA . 15065 1 762 . 1 1 214 214 GLY N N 15 108.06 0.10 . 1 . . . . 214 GLY N . 15065 1 763 . 1 1 215 215 GLY H H 1 8.154 0.010 . 1 . . . . 215 GLY H . 15065 1 764 . 1 1 215 215 GLY C C 13 174.99 0.10 . 1 . . . . 215 GLY C . 15065 1 765 . 1 1 215 215 GLY CA C 13 45.21 0.10 . 1 . . . . 215 GLY CA . 15065 1 766 . 1 1 215 215 GLY N N 15 106.95 0.10 . 1 . . . . 215 GLY N . 15065 1 767 . 1 1 216 216 ASN H H 1 7.327 0.010 . 1 . . . . 216 ASN H . 15065 1 768 . 1 1 216 216 ASN C C 13 179.18 0.10 . 1 . . . . 216 ASN C . 15065 1 769 . 1 1 216 216 ASN CB C 13 38.81 0.10 . 1 . . . . 216 ASN CB . 15065 1 770 . 1 1 216 216 ASN N N 15 117.24 0.10 . 1 . . . . 216 ASN N . 15065 1 771 . 1 1 217 217 CYS H H 1 7.386 0.010 . 1 . . . . 217 CYS H . 15065 1 772 . 1 1 217 217 CYS C C 13 176.32 0.10 . 1 . . . . 217 CYS C . 15065 1 773 . 1 1 217 217 CYS CB C 13 27.04 0.10 . 1 . . . . 217 CYS CB . 15065 1 774 . 1 1 217 217 CYS N N 15 117.29 0.10 . 1 . . . . 217 CYS N . 15065 1 775 . 1 1 218 218 LYS H H 1 8.509 0.010 . 1 . . . . 218 LYS H . 15065 1 776 . 1 1 218 218 LYS CB C 13 30.57 0.10 . 1 . . . . 218 LYS CB . 15065 1 777 . 1 1 218 218 LYS N N 15 126.03 0.10 . 1 . . . . 218 LYS N . 15065 1 778 . 1 1 219 219 GLU C C 13 180.56 0.10 . 1 . . . . 219 GLU C . 15065 1 779 . 1 1 219 219 GLU CB C 13 28.48 0.10 . 1 . . . . 219 GLU CB . 15065 1 780 . 1 1 220 220 LEU H H 1 7.078 0.010 . 1 . . . . 220 LEU H . 15065 1 781 . 1 1 220 220 LEU C C 13 177.51 0.10 . 1 . . . . 220 LEU C . 15065 1 782 . 1 1 220 220 LEU CB C 13 43.24 0.10 . 1 . . . . 220 LEU CB . 15065 1 783 . 1 1 220 220 LEU N N 15 120.41 0.10 . 1 . . . . 220 LEU N . 15065 1 784 . 1 1 221 221 ALA H H 1 8.406 0.010 . 1 . . . . 221 ALA H . 15065 1 785 . 1 1 221 221 ALA C C 13 176.85 0.10 . 1 . . . . 221 ALA C . 15065 1 786 . 1 1 221 221 ALA CB C 13 18.64 0.10 . 1 . . . . 221 ALA CB . 15065 1 787 . 1 1 221 221 ALA N N 15 117.40 0.10 . 1 . . . . 221 ALA N . 15065 1 788 . 1 1 222 222 SER H H 1 7.279 0.010 . 1 . . . . 222 SER H . 15065 1 789 . 1 1 222 222 SER C C 13 174.97 0.10 . 1 . . . . 222 SER C . 15065 1 790 . 1 1 222 222 SER CB C 13 63.88 0.10 . 1 . . . . 222 SER CB . 15065 1 791 . 1 1 222 222 SER N N 15 110.46 0.10 . 1 . . . . 222 SER N . 15065 1 792 . 1 1 223 223 GLN H H 1 7.360 0.010 . 1 . . . . 223 GLN H . 15065 1 793 . 1 1 223 223 GLN C C 13 177.28 0.10 . 1 . . . . 223 GLN C . 15065 1 794 . 1 1 223 223 GLN CB C 13 26.77 0.10 . 1 . . . . 223 GLN CB . 15065 1 795 . 1 1 223 223 GLN N N 15 121.70 0.10 . 1 . . . . 223 GLN N . 15065 1 796 . 1 1 224 224 HIS H H 1 8.615 0.010 . 1 . . . . 224 HIS H . 15065 1 797 . 1 1 224 224 HIS C C 13 176.53 0.10 . 1 . . . . 224 HIS C . 15065 1 798 . 1 1 224 224 HIS CB C 13 29.15 0.10 . 1 . . . . 224 HIS CB . 15065 1 799 . 1 1 224 224 HIS N N 15 121.14 0.10 . 1 . . . . 224 HIS N . 15065 1 800 . 1 1 225 225 ASP H H 1 10.05 0.010 . 1 . . . . 225 ASP H . 15065 1 801 . 1 1 225 225 ASP C C 13 174.30 0.10 . 1 . . . . 225 ASP C . 15065 1 802 . 1 1 225 225 ASP CB C 13 41.29 0.10 . 1 . . . . 225 ASP CB . 15065 1 803 . 1 1 225 225 ASP N N 15 116.17 0.10 . 1 . . . . 225 ASP N . 15065 1 804 . 1 1 226 226 VAL H H 1 7.034 0.010 . 1 . . . . 226 VAL H . 15065 1 805 . 1 1 226 226 VAL C C 13 174.80 0.10 . 1 . . . . 226 VAL C . 15065 1 806 . 1 1 226 226 VAL CB C 13 31.29 0.10 . 1 . . . . 226 VAL CB . 15065 1 807 . 1 1 226 226 VAL N N 15 120.75 0.10 . 1 . . . . 226 VAL N . 15065 1 808 . 1 1 227 227 ASP H H 1 8.609 0.010 . 1 . . . . 227 ASP H . 15065 1 809 . 1 1 227 227 ASP C C 13 172.05 0.10 . 1 . . . . 227 ASP C . 15065 1 810 . 1 1 227 227 ASP CB C 13 41.57 0.10 . 1 . . . . 227 ASP CB . 15065 1 811 . 1 1 227 227 ASP N N 15 124.93 0.10 . 1 . . . . 227 ASP N . 15065 1 812 . 1 1 228 228 GLY H H 1 6.923 0.010 . 1 . . . . 228 GLY H . 15065 1 813 . 1 1 228 228 GLY C C 13 172.82 0.10 . 1 . . . . 228 GLY C . 15065 1 814 . 1 1 228 228 GLY CA C 13 42.78 0.10 . 1 . . . . 228 GLY CA . 15065 1 815 . 1 1 228 228 GLY N N 15 104.24 0.10 . 1 . . . . 228 GLY N . 15065 1 816 . 1 1 229 229 PHE H H 1 8.165 0.010 . 1 . . . . 229 PHE H . 15065 1 817 . 1 1 229 229 PHE C C 13 174.17 0.10 . 1 . . . . 229 PHE C . 15065 1 818 . 1 1 229 229 PHE CB C 13 45.82 0.10 . 1 . . . . 229 PHE CB . 15065 1 819 . 1 1 229 229 PHE N N 15 112.99 0.10 . 1 . . . . 229 PHE N . 15065 1 820 . 1 1 230 230 LEU H H 1 8.510 0.010 . 1 . . . . 230 LEU H . 15065 1 821 . 1 1 230 230 LEU C C 13 174.81 0.10 . 1 . . . . 230 LEU C . 15065 1 822 . 1 1 230 230 LEU CB C 13 41.63 0.10 . 1 . . . . 230 LEU CB . 15065 1 823 . 1 1 230 230 LEU N N 15 124.96 0.10 . 1 . . . . 230 LEU N . 15065 1 824 . 1 1 231 231 VAL H H 1 8.975 0.010 . 1 . . . . 231 VAL H . 15065 1 825 . 1 1 231 231 VAL CB C 13 33.63 0.10 . 1 . . . . 231 VAL CB . 15065 1 826 . 1 1 231 231 VAL N N 15 125.17 0.10 . 1 . . . . 231 VAL N . 15065 1 827 . 1 1 232 232 GLY C C 13 176.61 0.10 . 1 . . . . 232 GLY C . 15065 1 828 . 1 1 232 232 GLY CA C 13 43.50 0.10 . 1 . . . . 232 GLY CA . 15065 1 829 . 1 1 233 233 GLY H H 1 11.06 0.010 . 1 . . . . 233 GLY H . 15065 1 830 . 1 1 233 233 GLY C C 13 176.68 0.10 . 1 . . . . 233 GLY C . 15065 1 831 . 1 1 233 233 GLY CA C 13 48.27 0.10 . 1 . . . . 233 GLY CA . 15065 1 832 . 1 1 233 233 GLY N N 15 122.83 0.10 . 1 . . . . 233 GLY N . 15065 1 833 . 1 1 234 234 ALA H H 1 9.071 0.010 . 1 . . . . 234 ALA H . 15065 1 834 . 1 1 234 234 ALA C C 13 177.51 0.10 . 1 . . . . 234 ALA C . 15065 1 835 . 1 1 234 234 ALA CB C 13 17.20 0.10 . 1 . . . . 234 ALA CB . 15065 1 836 . 1 1 234 234 ALA N N 15 120.91 0.10 . 1 . . . . 234 ALA N . 15065 1 837 . 1 1 235 235 SER H H 1 8.156 0.010 . 1 . . . . 235 SER H . 15065 1 838 . 1 1 235 235 SER C C 13 174.56 0.10 . 1 . . . . 235 SER C . 15065 1 839 . 1 1 235 235 SER CB C 13 63.06 0.10 . 1 . . . . 235 SER CB . 15065 1 840 . 1 1 235 235 SER N N 15 114.86 0.10 . 1 . . . . 235 SER N . 15065 1 841 . 1 1 236 236 LEU H H 1 6.607 0.010 . 1 . . . . 236 LEU H . 15065 1 842 . 1 1 236 236 LEU C C 13 175.82 0.10 . 1 . . . . 236 LEU C . 15065 1 843 . 1 1 236 236 LEU CB C 13 41.32 0.10 . 1 . . . . 236 LEU CB . 15065 1 844 . 1 1 236 236 LEU N N 15 120.19 0.10 . 1 . . . . 236 LEU N . 15065 1 845 . 1 1 237 237 LYS H H 1 7.181 0.010 . 1 . . . . 237 LYS H . 15065 1 846 . 1 1 237 237 LYS CB C 13 33.58 0.10 . 1 . . . . 237 LYS CB . 15065 1 847 . 1 1 237 237 LYS N N 15 119.14 0.10 . 1 . . . . 237 LYS N . 15065 1 848 . 1 1 238 238 PRO C C 13 178.54 0.10 . 1 . . . . 238 PRO C . 15065 1 849 . 1 1 238 238 PRO CB C 13 30.35 0.10 . 1 . . . . 238 PRO CB . 15065 1 850 . 1 1 239 239 GLU H H 1 7.889 0.010 . 1 . . . . 239 GLU H . 15065 1 851 . 1 1 239 239 GLU C C 13 175.91 0.10 . 1 . . . . 239 GLU C . 15065 1 852 . 1 1 239 239 GLU CB C 13 29.35 0.10 . 1 . . . . 239 GLU CB . 15065 1 853 . 1 1 239 239 GLU N N 15 114.49 0.10 . 1 . . . . 239 GLU N . 15065 1 854 . 1 1 240 240 PHE H H 1 8.275 0.010 . 1 . . . . 240 PHE H . 15065 1 855 . 1 1 240 240 PHE C C 13 177.26 0.10 . 1 . . . . 240 PHE C . 15065 1 856 . 1 1 240 240 PHE CB C 13 38.97 0.10 . 1 . . . . 240 PHE CB . 15065 1 857 . 1 1 240 240 PHE N N 15 123.65 0.10 . 1 . . . . 240 PHE N . 15065 1 858 . 1 1 241 241 VAL H H 1 7.588 0.010 . 1 . . . . 241 VAL H . 15065 1 859 . 1 1 241 241 VAL C C 13 176.23 0.10 . 1 . . . . 241 VAL C . 15065 1 860 . 1 1 241 241 VAL CB C 13 31.64 0.10 . 1 . . . . 241 VAL CB . 15065 1 861 . 1 1 241 241 VAL N N 15 115.15 0.10 . 1 . . . . 241 VAL N . 15065 1 862 . 1 1 242 242 ASP H H 1 6.852 0.010 . 1 . . . . 242 ASP H . 15065 1 863 . 1 1 242 242 ASP C C 13 178.28 0.10 . 1 . . . . 242 ASP C . 15065 1 864 . 1 1 242 242 ASP CB C 13 39.44 0.10 . 1 . . . . 242 ASP CB . 15065 1 865 . 1 1 242 242 ASP N N 15 118.27 0.10 . 1 . . . . 242 ASP N . 15065 1 866 . 1 1 243 243 ILE H H 1 7.403 0.010 . 1 . . . . 243 ILE H . 15065 1 867 . 1 1 243 243 ILE CB C 13 37.69 0.10 . 1 . . . . 243 ILE CB . 15065 1 868 . 1 1 243 243 ILE N N 15 120.94 0.10 . 1 . . . . 243 ILE N . 15065 1 869 . 1 1 244 244 ILE C C 13 177.09 0.10 . 1 . . . . 244 ILE C . 15065 1 870 . 1 1 244 244 ILE CB C 13 36.63 0.10 . 1 . . . . 244 ILE CB . 15065 1 871 . 1 1 245 245 ASN H H 1 7.276 0.010 . 1 . . . . 245 ASN H . 15065 1 872 . 1 1 245 245 ASN C C 13 176.55 0.10 . 1 . . . . 245 ASN C . 15065 1 873 . 1 1 245 245 ASN CB C 13 37.55 0.10 . 1 . . . . 245 ASN CB . 15065 1 874 . 1 1 245 245 ASN N N 15 117.19 0.10 . 1 . . . . 245 ASN N . 15065 1 875 . 1 1 246 246 ALA H H 1 7.410 0.010 . 1 . . . . 246 ALA H . 15065 1 876 . 1 1 246 246 ALA C C 13 178.37 0.10 . 1 . . . . 246 ALA C . 15065 1 877 . 1 1 246 246 ALA CB C 13 20.60 0.10 . 1 . . . . 246 ALA CB . 15065 1 878 . 1 1 246 246 ALA N N 15 121.92 0.10 . 1 . . . . 246 ALA N . 15065 1 879 . 1 1 247 247 LYS H H 1 8.587 0.010 . 1 . . . . 247 LYS H . 15065 1 880 . 1 1 247 247 LYS C C 13 175.78 0.10 . 1 . . . . 247 LYS C . 15065 1 881 . 1 1 247 247 LYS CB C 13 29.95 0.10 . 1 . . . . 247 LYS CB . 15065 1 882 . 1 1 247 247 LYS N N 15 115.74 0.10 . 1 . . . . 247 LYS N . 15065 1 883 . 1 1 248 248 HIS H H 1 7.687 0.010 . 1 . . . . 248 HIS H . 15065 1 884 . 1 1 248 248 HIS CB C 13 30.12 0.10 . 1 . . . . 248 HIS CB . 15065 1 885 . 1 1 248 248 HIS N N 15 125.13 0.10 . 1 . . . . 248 HIS N . 15065 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 15065 _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 7 '1H-15N ssNOE' . . . 15065 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 -0.138 0.0140 . . . . . . . . . . 15065 1 2 . 1 1 5 5 LYS N N 15 . 1 1 5 5 LYS H H 1 0.660 0.0140 . . . . . . . . . . 15065 1 3 . 1 1 6 6 PHE N N 15 . 1 1 6 6 PHE H H 1 0.729 0.0100 . . . . . . . . . . 15065 1 4 . 1 1 7 7 PHE N N 15 . 1 1 7 7 PHE H H 1 0.951 0.0840 . . . . . . . . . . 15065 1 5 . 1 1 8 8 VAL N N 15 . 1 1 8 8 VAL H H 1 0.724 0.115 . . . . . . . . . . 15065 1 6 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.821 0.133 . . . . . . . . . . 15065 1 7 . 1 1 10 10 GLY N N 15 . 1 1 10 10 GLY H H 1 0.870 0.0930 . . . . . . . . . . 15065 1 8 . 1 1 11 11 ASN N N 15 . 1 1 11 11 ASN H H 1 0.896 0.0150 . . . . . . . . . . 15065 1 9 . 1 1 12 12 TRP N N 15 . 1 1 12 12 TRP H H 1 0.788 0.0760 . . . . . . . . . . 15065 1 10 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.912 0.0190 . . . . . . . . . . 15065 1 11 . 1 1 14 14 MET N N 15 . 1 1 14 14 MET H H 1 0.740 0.0220 . . . . . . . . . . 15065 1 12 . 1 1 15 15 ASN N N 15 . 1 1 15 15 ASN H H 1 0.849 0.0130 . . . . . . . . . . 15065 1 13 . 1 1 16 16 GLY N N 15 . 1 1 16 16 GLY H H 1 0.878 0.0100 . . . . . . . . . . 15065 1 14 . 1 1 17 17 ASP N N 15 . 1 1 17 17 ASP H H 1 0.798 0.0220 . . . . . . . . . . 15065 1 15 . 1 1 18 18 LYS N N 15 . 1 1 18 18 LYS H H 1 0.820 0.0220 . . . . . . . . . . 15065 1 16 . 1 1 19 19 LYS N N 15 . 1 1 19 19 LYS H H 1 0.707 0.0140 . . . . . . . . . . 15065 1 17 . 1 1 20 20 SER N N 15 . 1 1 20 20 SER H H 1 0.883 0.0280 . . . . . . . . . . 15065 1 18 . 1 1 21 21 LEU N N 15 . 1 1 21 21 LEU H H 1 0.929 0.0480 . . . . . . . . . . 15065 1 19 . 1 1 22 22 GLY N N 15 . 1 1 22 22 GLY H H 1 0.905 0.0210 . . . . . . . . . . 15065 1 20 . 1 1 23 23 GLU N N 15 . 1 1 23 23 GLU H H 1 0.756 0.0150 . . . . . . . . . . 15065 1 21 . 1 1 24 24 LEU N N 15 . 1 1 24 24 LEU H H 1 0.747 0.0130 . . . . . . . . . . 15065 1 22 . 1 1 25 25 ILE N N 15 . 1 1 25 25 ILE H H 1 0.830 0.0270 . . . . . . . . . . 15065 1 23 . 1 1 26 26 HIS N N 15 . 1 1 26 26 HIS H H 1 0.910 0.0150 . . . . . . . . . . 15065 1 24 . 1 1 27 27 THR N N 15 . 1 1 27 27 THR H H 1 0.908 0.0220 . . . . . . . . . . 15065 1 25 . 1 1 28 28 LEU N N 15 . 1 1 28 28 LEU H H 1 0.898 0.0570 . . . . . . . . . . 15065 1 26 . 1 1 29 29 ASN N N 15 . 1 1 29 29 ASN H H 1 0.837 0.0150 . . . . . . . . . . 15065 1 27 . 1 1 30 30 GLY N N 15 . 1 1 30 30 GLY H H 1 0.712 0.0160 . . . . . . . . . . 15065 1 28 . 1 1 31 31 ALA N N 15 . 1 1 31 31 ALA H H 1 0.767 0.0120 . . . . . . . . . . 15065 1 29 . 1 1 32 32 LYS N N 15 . 1 1 32 32 LYS H H 1 0.676 0.00700 . . . . . . . . . . 15065 1 30 . 1 1 33 33 LEU N N 15 . 1 1 33 33 LEU H H 1 0.651 0.00700 . . . . . . . . . . 15065 1 31 . 1 1 34 34 SER N N 15 . 1 1 34 34 SER H H 1 0.646 0.0110 . . . . . . . . . . 15065 1 32 . 1 1 35 35 ALA N N 15 . 1 1 35 35 ALA H H 1 0.635 0.0140 . . . . . . . . . . 15065 1 33 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.727 0.0200 . . . . . . . . . . 15065 1 34 . 1 1 37 37 THR N N 15 . 1 1 37 37 THR H H 1 0.587 0.0100 . . . . . . . . . . 15065 1 35 . 1 1 38 38 GLU N N 15 . 1 1 38 38 GLU H H 1 0.815 0.0110 . . . . . . . . . . 15065 1 36 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.768 0.00800 . . . . . . . . . . 15065 1 37 . 1 1 40 40 VAL N N 15 . 1 1 40 40 VAL H H 1 1.21 0.333 . . . . . . . . . . 15065 1 38 . 1 1 41 41 CYS N N 15 . 1 1 41 41 CYS H H 1 1.07 0.290 . . . . . . . . . . 15065 1 39 . 1 1 42 42 GLY N N 15 . 1 1 42 42 GLY H H 1 0.857 0.140 . . . . . . . . . . 15065 1 40 . 1 1 43 43 ALA N N 15 . 1 1 43 43 ALA H H 1 0.922 0.118 . . . . . . . . . . 15065 1 41 . 1 1 46 46 ILE N N 15 . 1 1 46 46 ILE H H 1 0.497 0.00700 . . . . . . . . . . 15065 1 42 . 1 1 47 47 TYR N N 15 . 1 1 47 47 TYR H H 1 0.885 0.143 . . . . . . . . . . 15065 1 43 . 1 1 48 48 LEU N N 15 . 1 1 48 48 LEU H H 1 0.867 0.0620 . . . . . . . . . . 15065 1 44 . 1 1 49 49 ASP N N 15 . 1 1 49 49 ASP H H 1 0.830 0.0270 . . . . . . . . . . 15065 1 45 . 1 1 50 50 PHE N N 15 . 1 1 50 50 PHE H H 1 0.729 0.00900 . . . . . . . . . . 15065 1 46 . 1 1 51 51 ALA N N 15 . 1 1 51 51 ALA H H 1 0.902 0.161 . . . . . . . . . . 15065 1 47 . 1 1 52 52 ARG N N 15 . 1 1 52 52 ARG H H 1 0.844 0.108 . . . . . . . . . . 15065 1 48 . 1 1 53 53 GLN N N 15 . 1 1 53 53 GLN H H 1 0.819 0.0130 . . . . . . . . . . 15065 1 49 . 1 1 54 54 LYS N N 15 . 1 1 54 54 LYS H H 1 0.775 0.0120 . . . . . . . . . . 15065 1 50 . 1 1 55 55 LEU N N 15 . 1 1 55 55 LEU H H 1 0.727 0.0660 . . . . . . . . . . 15065 1 51 . 1 1 56 56 ASP N N 15 . 1 1 56 56 ASP H H 1 0.867 0.0140 . . . . . . . . . . 15065 1 52 . 1 1 57 57 ALA N N 15 . 1 1 57 57 ALA H H 1 0.800 0.00900 . . . . . . . . . . 15065 1 53 . 1 1 58 58 LYS N N 15 . 1 1 58 58 LYS H H 1 0.750 0.0170 . . . . . . . . . . 15065 1 54 . 1 1 59 59 ILE N N 15 . 1 1 59 59 ILE H H 1 0.820 0.0130 . . . . . . . . . . 15065 1 55 . 1 1 60 60 GLY N N 15 . 1 1 60 60 GLY H H 1 0.856 0.0110 . . . . . . . . . . 15065 1 56 . 1 1 61 61 VAL N N 15 . 1 1 61 61 VAL H H 1 0.781 0.0130 . . . . . . . . . . 15065 1 57 . 1 1 62 62 ALA N N 15 . 1 1 62 62 ALA H H 1 0.736 0.0730 . . . . . . . . . . 15065 1 58 . 1 1 63 63 ALA N N 15 . 1 1 63 63 ALA H H 1 0.715 0.0750 . . . . . . . . . . 15065 1 59 . 1 1 64 64 GLN N N 15 . 1 1 64 64 GLN H H 1 0.845 0.0320 . . . . . . . . . . 15065 1 60 . 1 1 65 65 ASN N N 15 . 1 1 65 65 ASN H H 1 1.01 0.0210 . . . . . . . . . . 15065 1 61 . 1 1 66 66 CYS N N 15 . 1 1 66 66 CYS H H 1 0.729 0.0130 . . . . . . . . . . 15065 1 62 . 1 1 67 67 TYR N N 15 . 1 1 67 67 TYR H H 1 0.849 0.0280 . . . . . . . . . . 15065 1 63 . 1 1 71 71 LYS N N 15 . 1 1 71 71 LYS H H 1 0.785 0.0110 . . . . . . . . . . 15065 1 64 . 1 1 72 72 GLY N N 15 . 1 1 72 72 GLY H H 1 0.874 0.0140 . . . . . . . . . . 15065 1 65 . 1 1 73 73 ALA N N 15 . 1 1 73 73 ALA H H 1 0.849 0.00900 . . . . . . . . . . 15065 1 66 . 1 1 74 74 PHE N N 15 . 1 1 74 74 PHE H H 1 0.848 0.0170 . . . . . . . . . . 15065 1 67 . 1 1 75 75 THR N N 15 . 1 1 75 75 THR H H 1 0.940 0.0490 . . . . . . . . . . 15065 1 68 . 1 1 76 76 GLY N N 15 . 1 1 76 76 GLY H H 1 0.894 0.0230 . . . . . . . . . . 15065 1 69 . 1 1 77 77 GLU N N 15 . 1 1 77 77 GLU H H 1 0.907 0.0200 . . . . . . . . . . 15065 1 70 . 1 1 78 78 ILE N N 15 . 1 1 78 78 ILE H H 1 0.828 0.0130 . . . . . . . . . . 15065 1 71 . 1 1 79 79 SER N N 15 . 1 1 79 79 SER H H 1 0.884 0.0410 . . . . . . . . . . 15065 1 72 . 1 1 81 81 ALA N N 15 . 1 1 81 81 ALA H H 1 0.840 0.0290 . . . . . . . . . . 15065 1 73 . 1 1 82 82 MET N N 15 . 1 1 82 82 MET H H 1 0.745 0.0160 . . . . . . . . . . 15065 1 74 . 1 1 84 84 LYS N N 15 . 1 1 84 84 LYS H H 1 0.832 0.0950 . . . . . . . . . . 15065 1 75 . 1 1 85 85 ASP N N 15 . 1 1 85 85 ASP H H 1 0.857 0.0110 . . . . . . . . . . 15065 1 76 . 1 1 87 87 GLY N N 15 . 1 1 87 87 GLY H H 1 0.882 0.0150 . . . . . . . . . . 15065 1 77 . 1 1 88 88 ALA N N 15 . 1 1 88 88 ALA H H 1 0.813 0.0160 . . . . . . . . . . 15065 1 78 . 1 1 89 89 ALA N N 15 . 1 1 89 89 ALA H H 1 0.810 0.0170 . . . . . . . . . . 15065 1 79 . 1 1 90 90 TRP N N 15 . 1 1 90 90 TRP H H 1 0.832 0.0280 . . . . . . . . . . 15065 1 80 . 1 1 91 91 VAL N N 15 . 1 1 91 91 VAL H H 1 0.954 0.424 . . . . . . . . . . 15065 1 81 . 1 1 92 92 ILE N N 15 . 1 1 92 92 ILE H H 1 0.477 0.332 . . . . . . . . . . 15065 1 82 . 1 1 93 93 LEU N N 15 . 1 1 93 93 LEU H H 1 0.849 0.0270 . . . . . . . . . . 15065 1 83 . 1 1 94 94 GLY N N 15 . 1 1 94 94 GLY H H 1 0.919 0.0420 . . . . . . . . . . 15065 1 84 . 1 1 95 95 HIS N N 15 . 1 1 95 95 HIS H H 1 0.739 0.0190 . . . . . . . . . . 15065 1 85 . 1 1 97 97 GLU N N 15 . 1 1 97 97 GLU H H 1 0.848 0.0380 . . . . . . . . . . 15065 1 86 . 1 1 98 98 ARG N N 15 . 1 1 98 98 ARG H H 1 0.873 0.0270 . . . . . . . . . . 15065 1 87 . 1 1 99 99 ARG N N 15 . 1 1 99 99 ARG H H 1 0.836 0.0710 . . . . . . . . . . 15065 1 88 . 1 1 100 100 HIS N N 15 . 1 1 100 100 HIS H H 1 0.818 0.0220 . . . . . . . . . . 15065 1 89 . 1 1 101 101 VAL N N 15 . 1 1 101 101 VAL H H 1 0.766 0.0320 . . . . . . . . . . 15065 1 90 . 1 1 102 102 PHE N N 15 . 1 1 102 102 PHE H H 1 0.861 0.0450 . . . . . . . . . . 15065 1 91 . 1 1 103 103 GLY N N 15 . 1 1 103 103 GLY H H 1 1.01 0.0240 . . . . . . . . . . 15065 1 92 . 1 1 104 104 GLU N N 15 . 1 1 104 104 GLU H H 1 0.884 0.00900 . . . . . . . . . . 15065 1 93 . 1 1 105 105 SER N N 15 . 1 1 105 105 SER H H 1 0.881 0.0180 . . . . . . . . . . 15065 1 94 . 1 1 106 106 ASP N N 15 . 1 1 106 106 ASP H H 1 0.729 0.00900 . . . . . . . . . . 15065 1 95 . 1 1 107 107 GLU N N 15 . 1 1 107 107 GLU H H 1 0.841 0.0170 . . . . . . . . . . 15065 1 96 . 1 1 108 108 LEU N N 15 . 1 1 108 108 LEU H H 1 0.890 0.0170 . . . . . . . . . . 15065 1 97 . 1 1 109 109 ILE N N 15 . 1 1 109 109 ILE H H 1 0.729 0.0700 . . . . . . . . . . 15065 1 98 . 1 1 110 110 GLY N N 15 . 1 1 110 110 GLY H H 1 0.817 0.0120 . . . . . . . . . . 15065 1 99 . 1 1 111 111 GLN N N 15 . 1 1 111 111 GLN H H 1 0.775 0.0110 . . . . . . . . . . 15065 1 100 . 1 1 112 112 LYS N N 15 . 1 1 112 112 LYS H H 1 1.10 0.277 . . . . . . . . . . 15065 1 101 . 1 1 113 113 VAL N N 15 . 1 1 113 113 VAL H H 1 0.793 0.276 . . . . . . . . . . 15065 1 102 . 1 1 114 114 ALA N N 15 . 1 1 114 114 ALA H H 1 1.10 0.261 . . . . . . . . . . 15065 1 103 . 1 1 115 115 HIS N N 15 . 1 1 115 115 HIS H H 1 0.772 0.00900 . . . . . . . . . . 15065 1 104 . 1 1 116 116 ALA N N 15 . 1 1 116 116 ALA H H 1 0.770 0.0100 . . . . . . . . . . 15065 1 105 . 1 1 117 117 LEU N N 15 . 1 1 117 117 LEU H H 1 0.613 0.0900 . . . . . . . . . . 15065 1 106 . 1 1 118 118 ALA N N 15 . 1 1 118 118 ALA H H 1 0.914 0.0130 . . . . . . . . . . 15065 1 107 . 1 1 119 119 GLU N N 15 . 1 1 119 119 GLU H H 1 0.745 0.0150 . . . . . . . . . . 15065 1 108 . 1 1 120 120 GLY N N 15 . 1 1 120 120 GLY H H 1 0.729 0.0150 . . . . . . . . . . 15065 1 109 . 1 1 121 121 LEU N N 15 . 1 1 121 121 LEU H H 1 0.785 0.00900 . . . . . . . . . . 15065 1 110 . 1 1 122 122 GLY N N 15 . 1 1 122 122 GLY H H 1 0.770 0.174 . . . . . . . . . . 15065 1 111 . 1 1 123 123 VAL N N 15 . 1 1 123 123 VAL H H 1 0.763 0.253 . . . . . . . . . . 15065 1 112 . 1 1 124 124 ILE N N 15 . 1 1 124 124 ILE H H 1 0.839 0.407 . . . . . . . . . . 15065 1 113 . 1 1 125 125 ALA N N 15 . 1 1 125 125 ALA H H 1 1.27 0.601 . . . . . . . . . . 15065 1 114 . 1 1 127 127 ILE N N 15 . 1 1 127 127 ILE H H 1 0.677 0.206 . . . . . . . . . . 15065 1 115 . 1 1 128 128 GLY N N 15 . 1 1 128 128 GLY H H 1 0.774 0.0190 . . . . . . . . . . 15065 1 116 . 1 1 129 129 GLU N N 15 . 1 1 129 129 GLU H H 1 0.882 0.0180 . . . . . . . . . . 15065 1 117 . 1 1 130 130 LYS N N 15 . 1 1 130 130 LYS H H 1 0.860 0.0120 . . . . . . . . . . 15065 1 118 . 1 1 131 131 LEU N N 15 . 1 1 131 131 LEU H H 1 0.803 0.0150 . . . . . . . . . . 15065 1 119 . 1 1 132 132 ASP N N 15 . 1 1 132 132 ASP H H 1 0.685 0.0170 . . . . . . . . . . 15065 1 120 . 1 1 133 133 GLU N N 15 . 1 1 133 133 GLU H H 1 0.916 0.0330 . . . . . . . . . . 15065 1 121 . 1 1 135 135 GLU N N 15 . 1 1 135 135 GLU H H 1 0.802 0.0170 . . . . . . . . . . 15065 1 122 . 1 1 136 136 ALA N N 15 . 1 1 136 136 ALA H H 1 0.712 0.0150 . . . . . . . . . . 15065 1 123 . 1 1 137 137 GLY N N 15 . 1 1 137 137 GLY H H 1 0.809 0.0160 . . . . . . . . . . 15065 1 124 . 1 1 138 138 ILE N N 15 . 1 1 138 138 ILE H H 1 0.791 0.0180 . . . . . . . . . . 15065 1 125 . 1 1 139 139 THR N N 15 . 1 1 139 139 THR H H 1 0.734 0.0180 . . . . . . . . . . 15065 1 126 . 1 1 140 140 GLU N N 15 . 1 1 140 140 GLU H H 1 0.789 0.0140 . . . . . . . . . . 15065 1 127 . 1 1 141 141 LYS N N 15 . 1 1 141 141 LYS H H 1 0.789 0.0150 . . . . . . . . . . 15065 1 128 . 1 1 142 142 VAL N N 15 . 1 1 142 142 VAL H H 1 0.874 0.0190 . . . . . . . . . . 15065 1 129 . 1 1 143 143 VAL N N 15 . 1 1 143 143 VAL H H 1 0.829 0.0180 . . . . . . . . . . 15065 1 130 . 1 1 144 144 PHE N N 15 . 1 1 144 144 PHE H H 1 0.828 0.0190 . . . . . . . . . . 15065 1 131 . 1 1 145 145 GLU N N 15 . 1 1 145 145 GLU H H 1 0.871 0.0190 . . . . . . . . . . 15065 1 132 . 1 1 146 146 GLN N N 15 . 1 1 146 146 GLN H H 1 0.911 0.0210 . . . . . . . . . . 15065 1 133 . 1 1 147 147 THR N N 15 . 1 1 147 147 THR H H 1 0.927 0.0520 . . . . . . . . . . 15065 1 134 . 1 1 148 148 LYS N N 15 . 1 1 148 148 LYS H H 1 0.890 0.0260 . . . . . . . . . . 15065 1 135 . 1 1 149 149 ALA N N 15 . 1 1 149 149 ALA H H 1 0.850 0.0150 . . . . . . . . . . 15065 1 136 . 1 1 150 150 ILE N N 15 . 1 1 150 150 ILE H H 1 0.725 0.204 . . . . . . . . . . 15065 1 137 . 1 1 151 151 ALA N N 15 . 1 1 151 151 ALA H H 1 0.899 0.402 . . . . . . . . . . 15065 1 138 . 1 1 152 152 ASP N N 15 . 1 1 152 152 ASP H H 1 0.822 0.0120 . . . . . . . . . . 15065 1 139 . 1 1 153 153 ASN N N 15 . 1 1 153 153 ASN H H 1 0.876 0.0270 . . . . . . . . . . 15065 1 140 . 1 1 154 154 VAL N N 15 . 1 1 154 154 VAL H H 1 0.722 0.0120 . . . . . . . . . . 15065 1 141 . 1 1 155 155 LYS N N 15 . 1 1 155 155 LYS H H 1 0.659 0.0290 . . . . . . . . . . 15065 1 142 . 1 1 156 156 ASP N N 15 . 1 1 156 156 ASP H H 1 0.191 0.0180 . . . . . . . . . . 15065 1 143 . 1 1 157 157 TRP N N 15 . 1 1 157 157 TRP H H 1 0.573 0.0200 . . . . . . . . . . 15065 1 144 . 1 1 158 158 SER N N 15 . 1 1 158 158 SER H H 1 0.772 0.0280 . . . . . . . . . . 15065 1 145 . 1 1 159 159 LYS N N 15 . 1 1 159 159 LYS H H 1 0.553 0.0220 . . . . . . . . . . 15065 1 146 . 1 1 160 160 VAL N N 15 . 1 1 160 160 VAL H H 1 0.853 0.0220 . . . . . . . . . . 15065 1 147 . 1 1 161 161 VAL N N 15 . 1 1 161 161 VAL H H 1 1.07 0.368 . . . . . . . . . . 15065 1 148 . 1 1 163 163 ALA N N 15 . 1 1 163 163 ALA H H 1 1.39 0.575 . . . . . . . . . . 15065 1 149 . 1 1 167 167 VAL N N 15 . 1 1 167 167 VAL H H 1 0.842 0.0180 . . . . . . . . . . 15065 1 150 . 1 1 169 169 ALA N N 15 . 1 1 169 169 ALA H H 1 0.780 0.0230 . . . . . . . . . . 15065 1 151 . 1 1 170 170 ILE N N 15 . 1 1 170 170 ILE H H 1 1.01 0.0270 . . . . . . . . . . 15065 1 152 . 1 1 171 171 GLY N N 15 . 1 1 171 171 GLY H H 1 0.849 0.0230 . . . . . . . . . . 15065 1 153 . 1 1 172 172 THR N N 15 . 1 1 172 172 THR H H 1 0.839 0.0310 . . . . . . . . . . 15065 1 154 . 1 1 173 173 GLY N N 15 . 1 1 173 173 GLY H H 1 0.873 0.0360 . . . . . . . . . . 15065 1 155 . 1 1 174 174 LYS N N 15 . 1 1 174 174 LYS H H 1 0.943 0.0290 . . . . . . . . . . 15065 1 156 . 1 1 175 175 THR N N 15 . 1 1 175 175 THR H H 1 0.515 0.00900 . . . . . . . . . . 15065 1 157 . 1 1 176 176 ALA N N 15 . 1 1 176 176 ALA H H 1 0.883 0.0210 . . . . . . . . . . 15065 1 158 . 1 1 177 177 THR N N 15 . 1 1 177 177 THR H H 1 0.836 0.0130 . . . . . . . . . . 15065 1 159 . 1 1 179 179 GLN N N 15 . 1 1 179 179 GLN H H 1 0.834 0.0160 . . . . . . . . . . 15065 1 160 . 1 1 181 181 ALA N N 15 . 1 1 181 181 ALA H H 1 0.850 0.0150 . . . . . . . . . . 15065 1 161 . 1 1 182 182 GLN N N 15 . 1 1 182 182 GLN H H 1 0.883 0.0170 . . . . . . . . . . 15065 1 162 . 1 1 183 183 GLU N N 15 . 1 1 183 183 GLU H H 1 0.914 0.0140 . . . . . . . . . . 15065 1 163 . 1 1 184 184 VAL N N 15 . 1 1 184 184 VAL H H 1 0.832 0.0150 . . . . . . . . . . 15065 1 164 . 1 1 185 185 HIS N N 15 . 1 1 185 185 HIS H H 1 0.938 0.0230 . . . . . . . . . . 15065 1 165 . 1 1 186 186 GLU N N 15 . 1 1 186 186 GLU H H 1 0.780 0.0400 . . . . . . . . . . 15065 1 166 . 1 1 187 187 LYS N N 15 . 1 1 187 187 LYS H H 1 0.727 0.00900 . . . . . . . . . . 15065 1 167 . 1 1 188 188 LEU N N 15 . 1 1 188 188 LEU H H 1 0.795 0.301 . . . . . . . . . . 15065 1 168 . 1 1 190 190 GLY N N 15 . 1 1 190 190 GLY H H 1 0.940 0.0110 . . . . . . . . . . 15065 1 169 . 1 1 191 191 TRP N N 15 . 1 1 191 191 TRP H H 1 0.797 0.0450 . . . . . . . . . . 15065 1 170 . 1 1 193 193 LYS N N 15 . 1 1 193 193 LYS H H 1 0.946 0.0820 . . . . . . . . . . 15065 1 171 . 1 1 194 194 SER N N 15 . 1 1 194 194 SER H H 1 0.763 0.0170 . . . . . . . . . . 15065 1 172 . 1 1 195 195 HIS N N 15 . 1 1 195 195 HIS H H 1 0.843 0.0300 . . . . . . . . . . 15065 1 173 . 1 1 196 196 VAL N N 15 . 1 1 196 196 VAL H H 1 0.815 0.0190 . . . . . . . . . . 15065 1 174 . 1 1 197 197 SER N N 15 . 1 1 197 197 SER H H 1 0.734 0.0140 . . . . . . . . . . 15065 1 175 . 1 1 198 198 ASP N N 15 . 1 1 198 198 ASP H H 1 0.833 0.0410 . . . . . . . . . . 15065 1 176 . 1 1 199 199 ALA N N 15 . 1 1 199 199 ALA H H 1 0.824 0.0180 . . . . . . . . . . 15065 1 177 . 1 1 200 200 VAL N N 15 . 1 1 200 200 VAL H H 1 0.795 0.0240 . . . . . . . . . . 15065 1 178 . 1 1 201 201 ALA N N 15 . 1 1 201 201 ALA H H 1 0.903 0.0240 . . . . . . . . . . 15065 1 179 . 1 1 202 202 GLN N N 15 . 1 1 202 202 GLN H H 1 0.897 0.0300 . . . . . . . . . . 15065 1 180 . 1 1 203 203 SER N N 15 . 1 1 203 203 SER H H 1 0.760 0.0310 . . . . . . . . . . 15065 1 181 . 1 1 204 204 THR N N 15 . 1 1 204 204 THR H H 1 0.703 0.0260 . . . . . . . . . . 15065 1 182 . 1 1 205 205 ARG N N 15 . 1 1 205 205 ARG H H 1 0.861 0.0290 . . . . . . . . . . 15065 1 183 . 1 1 206 206 ILE N N 15 . 1 1 206 206 ILE H H 1 2.79 3.53 . . . . . . . . . . 15065 1 184 . 1 1 212 212 VAL N N 15 . 1 1 212 212 VAL H H 1 0.698 0.0140 . . . . . . . . . . 15065 1 185 . 1 1 213 213 THR N N 15 . 1 1 213 213 THR H H 1 0.895 0.0200 . . . . . . . . . . 15065 1 186 . 1 1 214 214 GLY N N 15 . 1 1 214 214 GLY H H 1 0.797 0.0170 . . . . . . . . . . 15065 1 187 . 1 1 215 215 GLY N N 15 . 1 1 215 215 GLY H H 1 0.847 0.0320 . . . . . . . . . . 15065 1 188 . 1 1 216 216 ASN N N 15 . 1 1 216 216 ASN H H 1 0.664 0.0310 . . . . . . . . . . 15065 1 189 . 1 1 217 217 CYS N N 15 . 1 1 217 217 CYS H H 1 0.693 0.0360 . . . . . . . . . . 15065 1 190 . 1 1 218 218 LYS N N 15 . 1 1 218 218 LYS H H 1 0.791 0.0150 . . . . . . . . . . 15065 1 191 . 1 1 220 220 LEU N N 15 . 1 1 220 220 LEU H H 1 0.826 0.0200 . . . . . . . . . . 15065 1 192 . 1 1 221 221 ALA N N 15 . 1 1 221 221 ALA H H 1 0.868 0.0220 . . . . . . . . . . 15065 1 193 . 1 1 222 222 SER N N 15 . 1 1 222 222 SER H H 1 0.741 0.0210 . . . . . . . . . . 15065 1 194 . 1 1 223 223 GLN N N 15 . 1 1 223 223 GLN H H 1 0.709 0.0120 . . . . . . . . . . 15065 1 195 . 1 1 224 224 HIS N N 15 . 1 1 224 224 HIS H H 1 0.773 0.0120 . . . . . . . . . . 15065 1 196 . 1 1 225 225 ASP N N 15 . 1 1 225 225 ASP H H 1 0.829 0.0270 . . . . . . . . . . 15065 1 197 . 1 1 226 226 VAL N N 15 . 1 1 226 226 VAL H H 1 0.944 0.0180 . . . . . . . . . . 15065 1 198 . 1 1 227 227 ASP N N 15 . 1 1 227 227 ASP H H 1 0.796 0.0210 . . . . . . . . . . 15065 1 199 . 1 1 228 228 GLY N N 15 . 1 1 228 228 GLY H H 1 0.790 0.341 . . . . . . . . . . 15065 1 200 . 1 1 229 229 PHE N N 15 . 1 1 229 229 PHE H H 1 1.13 0.464 . . . . . . . . . . 15065 1 201 . 1 1 230 230 LEU N N 15 . 1 1 230 230 LEU H H 1 0.661 0.178 . . . . . . . . . . 15065 1 202 . 1 1 231 231 VAL N N 15 . 1 1 231 231 VAL H H 1 0.832 0.0680 . . . . . . . . . . 15065 1 203 . 1 1 233 233 GLY N N 15 . 1 1 233 233 GLY H H 1 0.797 0.0180 . . . . . . . . . . 15065 1 204 . 1 1 234 234 ALA N N 15 . 1 1 234 234 ALA H H 1 0.903 0.0320 . . . . . . . . . . 15065 1 205 . 1 1 235 235 SER N N 15 . 1 1 235 235 SER H H 1 0.907 0.0450 . . . . . . . . . . 15065 1 206 . 1 1 236 236 LEU N N 15 . 1 1 236 236 LEU H H 1 0.842 0.0250 . . . . . . . . . . 15065 1 207 . 1 1 237 237 LYS N N 15 . 1 1 237 237 LYS H H 1 0.736 0.0130 . . . . . . . . . . 15065 1 208 . 1 1 239 239 GLU N N 15 . 1 1 239 239 GLU H H 1 0.787 0.0150 . . . . . . . . . . 15065 1 209 . 1 1 240 240 PHE N N 15 . 1 1 240 240 PHE H H 1 0.856 0.0190 . . . . . . . . . . 15065 1 210 . 1 1 241 241 VAL N N 15 . 1 1 241 241 VAL H H 1 0.767 0.0180 . . . . . . . . . . 15065 1 211 . 1 1 242 242 ASP N N 15 . 1 1 242 242 ASP H H 1 1.01 0.0260 . . . . . . . . . . 15065 1 212 . 1 1 243 243 ILE N N 15 . 1 1 243 243 ILE H H 1 0.757 0.0470 . . . . . . . . . . 15065 1 213 . 1 1 245 245 ASN N N 15 . 1 1 245 245 ASN H H 1 0.752 0.0140 . . . . . . . . . . 15065 1 214 . 1 1 246 246 ALA N N 15 . 1 1 246 246 ALA H H 1 0.667 0.0130 . . . . . . . . . . 15065 1 215 . 1 1 247 247 LYS N N 15 . 1 1 247 247 LYS H H 1 0.646 0.0180 . . . . . . . . . . 15065 1 216 . 1 1 248 248 HIS N N 15 . 1 1 248 248 HIS H H 1 0.392 0.00700 . . . . . . . . . . 15065 1 stop_ save_ save_1H15N_ssNOE_800MHz _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 1H15N_ssNOE_800MHz _Heteronucl_NOE_list.Entry_ID 15065 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $standard_conditions _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _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 7 '1H-15N ssNOE' . . . 15065 2 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 -0.0880 0.00600 . . . . . . . . . . 15065 2 2 . 1 1 5 5 LYS N N 15 . 1 1 5 5 LYS H H 1 0.739 0.00800 . . . . . . . . . . 15065 2 3 . 1 1 6 6 PHE N N 15 . 1 1 6 6 PHE H H 1 0.818 0.00600 . . . . . . . . . . 15065 2 4 . 1 1 7 7 PHE N N 15 . 1 1 7 7 PHE H H 1 0.916 0.0700 . . . . . . . . . . 15065 2 5 . 1 1 8 8 VAL N N 15 . 1 1 8 8 VAL H H 1 0.916 0.0430 . . . . . . . . . . 15065 2 6 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.885 0.0800 . . . . . . . . . . 15065 2 7 . 1 1 10 10 GLY N N 15 . 1 1 10 10 GLY H H 1 0.860 0.0690 . . . . . . . . . . 15065 2 8 . 1 1 11 11 ASN N N 15 . 1 1 11 11 ASN H H 1 0.896 0.00900 . . . . . . . . . . 15065 2 9 . 1 1 12 12 TRP N N 15 . 1 1 12 12 TRP H H 1 1.03 0.0480 . . . . . . . . . . 15065 2 10 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.948 0.00900 . . . . . . . . . . 15065 2 11 . 1 1 14 14 MET N N 15 . 1 1 14 14 MET H H 1 0.919 0.0120 . . . . . . . . . . 15065 2 12 . 1 1 15 15 ASN N N 15 . 1 1 15 15 ASN H H 1 0.885 0.00700 . . . . . . . . . . 15065 2 13 . 1 1 16 16 GLY N N 15 . 1 1 16 16 GLY H H 1 0.808 0.00500 . . . . . . . . . . 15065 2 14 . 1 1 17 17 ASP N N 15 . 1 1 17 17 ASP H H 1 0.782 0.00900 . . . . . . . . . . 15065 2 15 . 1 1 18 18 LYS N N 15 . 1 1 18 18 LYS H H 1 0.889 0.0120 . . . . . . . . . . 15065 2 16 . 1 1 19 19 LYS N N 15 . 1 1 19 19 LYS H H 1 0.762 0.00700 . . . . . . . . . . 15065 2 17 . 1 1 20 20 SER N N 15 . 1 1 20 20 SER H H 1 0.903 0.0130 . . . . . . . . . . 15065 2 18 . 1 1 21 21 LEU N N 15 . 1 1 21 21 LEU H H 1 0.904 0.0310 . . . . . . . . . . 15065 2 19 . 1 1 22 22 GLY N N 15 . 1 1 22 22 GLY H H 1 0.885 0.0100 . . . . . . . . . . 15065 2 20 . 1 1 23 23 GLU N N 15 . 1 1 23 23 GLU H H 1 0.913 0.00800 . . . . . . . . . . 15065 2 21 . 1 1 24 24 LEU N N 15 . 1 1 24 24 LEU H H 1 0.923 0.00800 . . . . . . . . . . 15065 2 22 . 1 1 25 25 ILE N N 15 . 1 1 25 25 ILE H H 1 0.905 0.0140 . . . . . . . . . . 15065 2 23 . 1 1 26 26 HIS N N 15 . 1 1 26 26 HIS H H 1 0.896 0.00700 . . . . . . . . . . 15065 2 24 . 1 1 27 27 THR N N 15 . 1 1 27 27 THR H H 1 0.907 0.0100 . . . . . . . . . . 15065 2 25 . 1 1 28 28 LEU N N 15 . 1 1 28 28 LEU H H 1 0.903 0.0200 . . . . . . . . . . 15065 2 26 . 1 1 29 29 ASN N N 15 . 1 1 29 29 ASN H H 1 0.924 0.00800 . . . . . . . . . . 15065 2 27 . 1 1 30 30 GLY N N 15 . 1 1 30 30 GLY H H 1 0.866 0.00800 . . . . . . . . . . 15065 2 28 . 1 1 31 31 ALA N N 15 . 1 1 31 31 ALA H H 1 0.842 0.00600 . . . . . . . . . . 15065 2 29 . 1 1 32 32 LYS N N 15 . 1 1 32 32 LYS H H 1 0.734 0.00400 . . . . . . . . . . 15065 2 30 . 1 1 33 33 LEU N N 15 . 1 1 33 33 LEU H H 1 0.624 0.00300 . . . . . . . . . . 15065 2 31 . 1 1 34 34 SER N N 15 . 1 1 34 34 SER H H 1 0.722 0.00500 . . . . . . . . . . 15065 2 32 . 1 1 35 35 ALA N N 15 . 1 1 35 35 ALA H H 1 0.731 0.00800 . . . . . . . . . . 15065 2 33 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.743 0.00700 . . . . . . . . . . 15065 2 34 . 1 1 37 37 THR N N 15 . 1 1 37 37 THR H H 1 0.718 0.00500 . . . . . . . . . . 15065 2 35 . 1 1 38 38 GLU N N 15 . 1 1 38 38 GLU H H 1 0.893 0.00800 . . . . . . . . . . 15065 2 36 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.901 0.00500 . . . . . . . . . . 15065 2 37 . 1 1 40 40 VAL N N 15 . 1 1 40 40 VAL H H 1 1.18 0.166 . . . . . . . . . . 15065 2 38 . 1 1 41 41 CYS N N 15 . 1 1 41 41 CYS H H 1 0.755 0.104 . . . . . . . . . . 15065 2 39 . 1 1 42 42 GLY N N 15 . 1 1 42 42 GLY H H 1 0.809 0.114 . . . . . . . . . . 15065 2 40 . 1 1 43 43 ALA N N 15 . 1 1 43 43 ALA H H 1 0.855 0.0680 . . . . . . . . . . 15065 2 41 . 1 1 46 46 ILE N N 15 . 1 1 46 46 ILE H H 1 0.928 0.0110 . . . . . . . . . . 15065 2 42 . 1 1 47 47 TYR N N 15 . 1 1 47 47 TYR H H 1 0.928 0.0680 . . . . . . . . . . 15065 2 43 . 1 1 48 48 LEU N N 15 . 1 1 48 48 LEU H H 1 0.900 0.0260 . . . . . . . . . . 15065 2 44 . 1 1 49 49 ASP N N 15 . 1 1 49 49 ASP H H 1 0.894 0.0130 . . . . . . . . . . 15065 2 45 . 1 1 50 50 PHE N N 15 . 1 1 50 50 PHE H H 1 0.906 0.00600 . . . . . . . . . . 15065 2 46 . 1 1 51 51 ALA N N 15 . 1 1 51 51 ALA H H 1 0.898 0.0820 . . . . . . . . . . 15065 2 47 . 1 1 52 52 ARG N N 15 . 1 1 52 52 ARG H H 1 0.951 0.0630 . . . . . . . . . . 15065 2 48 . 1 1 53 53 GLN N N 15 . 1 1 53 53 GLN H H 1 0.933 0.00700 . . . . . . . . . . 15065 2 49 . 1 1 54 54 LYS N N 15 . 1 1 54 54 LYS H H 1 0.909 0.00600 . . . . . . . . . . 15065 2 50 . 1 1 55 55 LEU N N 15 . 1 1 55 55 LEU H H 1 0.878 0.0350 . . . . . . . . . . 15065 2 51 . 1 1 56 56 ASP N N 15 . 1 1 56 56 ASP H H 1 0.886 0.00700 . . . . . . . . . . 15065 2 52 . 1 1 57 57 ALA N N 15 . 1 1 57 57 ALA H H 1 0.907 0.00500 . . . . . . . . . . 15065 2 53 . 1 1 58 58 LYS N N 15 . 1 1 58 58 LYS H H 1 0.808 0.00800 . . . . . . . . . . 15065 2 54 . 1 1 59 59 ILE N N 15 . 1 1 59 59 ILE H H 1 0.885 0.00700 . . . . . . . . . . 15065 2 55 . 1 1 60 60 GLY N N 15 . 1 1 60 60 GLY H H 1 0.869 0.00600 . . . . . . . . . . 15065 2 56 . 1 1 61 61 VAL N N 15 . 1 1 61 61 VAL H H 1 0.823 0.00700 . . . . . . . . . . 15065 2 57 . 1 1 62 62 ALA N N 15 . 1 1 62 62 ALA H H 1 0.827 0.0500 . . . . . . . . . . 15065 2 58 . 1 1 63 63 ALA N N 15 . 1 1 63 63 ALA H H 1 0.899 0.0490 . . . . . . . . . . 15065 2 59 . 1 1 64 64 GLN N N 15 . 1 1 64 64 GLN H H 1 0.909 0.0170 . . . . . . . . . . 15065 2 60 . 1 1 65 65 ASN N N 15 . 1 1 65 65 ASN H H 1 0.893 0.00800 . . . . . . . . . . 15065 2 61 . 1 1 66 66 CYS N N 15 . 1 1 66 66 CYS H H 1 0.933 0.00700 . . . . . . . . . . 15065 2 62 . 1 1 67 67 TYR N N 15 . 1 1 67 67 TYR H H 1 0.923 0.0160 . . . . . . . . . . 15065 2 63 . 1 1 71 71 LYS N N 15 . 1 1 71 71 LYS H H 1 0.856 0.00600 . . . . . . . . . . 15065 2 64 . 1 1 72 72 GLY N N 15 . 1 1 72 72 GLY H H 1 0.908 0.00700 . . . . . . . . . . 15065 2 65 . 1 1 73 73 ALA N N 15 . 1 1 73 73 ALA H H 1 0.881 0.00600 . . . . . . . . . . 15065 2 66 . 1 1 74 74 PHE N N 15 . 1 1 74 74 PHE H H 1 0.882 0.00800 . . . . . . . . . . 15065 2 67 . 1 1 75 75 THR N N 15 . 1 1 75 75 THR H H 1 0.960 0.0230 . . . . . . . . . . 15065 2 68 . 1 1 76 76 GLY N N 15 . 1 1 76 76 GLY H H 1 0.921 0.0110 . . . . . . . . . . 15065 2 69 . 1 1 77 77 GLU N N 15 . 1 1 77 77 GLU H H 1 0.823 0.00700 . . . . . . . . . . 15065 2 70 . 1 1 78 78 ILE N N 15 . 1 1 78 78 ILE H H 1 0.912 0.00700 . . . . . . . . . . 15065 2 71 . 1 1 79 79 SER N N 15 . 1 1 79 79 SER H H 1 0.931 0.0190 . . . . . . . . . . 15065 2 72 . 1 1 81 81 ALA N N 15 . 1 1 81 81 ALA H H 1 0.889 0.0140 . . . . . . . . . . 15065 2 73 . 1 1 82 82 MET N N 15 . 1 1 82 82 MET H H 1 0.917 0.00800 . . . . . . . . . . 15065 2 74 . 1 1 84 84 LYS N N 15 . 1 1 84 84 LYS H H 1 0.885 0.0440 . . . . . . . . . . 15065 2 75 . 1 1 85 85 ASP N N 15 . 1 1 85 85 ASP H H 1 0.943 0.00600 . . . . . . . . . . 15065 2 76 . 1 1 87 87 GLY N N 15 . 1 1 87 87 GLY H H 1 0.928 0.00700 . . . . . . . . . . 15065 2 77 . 1 1 88 88 ALA N N 15 . 1 1 88 88 ALA H H 1 0.898 0.00800 . . . . . . . . . . 15065 2 78 . 1 1 89 89 ALA N N 15 . 1 1 89 89 ALA H H 1 0.833 0.00800 . . . . . . . . . . 15065 2 79 . 1 1 90 90 TRP N N 15 . 1 1 90 90 TRP H H 1 0.911 0.0120 . . . . . . . . . . 15065 2 80 . 1 1 91 91 VAL N N 15 . 1 1 91 91 VAL H H 1 0.726 0.0740 . . . . . . . . . . 15065 2 81 . 1 1 92 92 ILE N N 15 . 1 1 92 92 ILE H H 1 1.03 0.322 . . . . . . . . . . 15065 2 82 . 1 1 93 93 LEU N N 15 . 1 1 93 93 LEU H H 1 0.920 0.0140 . . . . . . . . . . 15065 2 83 . 1 1 94 94 GLY N N 15 . 1 1 94 94 GLY H H 1 0.934 0.0190 . . . . . . . . . . 15065 2 84 . 1 1 95 95 HIS N N 15 . 1 1 95 95 HIS H H 1 0.924 0.0110 . . . . . . . . . . 15065 2 85 . 1 1 97 97 GLU N N 15 . 1 1 97 97 GLU H H 1 0.893 0.0230 . . . . . . . . . . 15065 2 86 . 1 1 98 98 ARG N N 15 . 1 1 98 98 ARG H H 1 0.932 0.0140 . . . . . . . . . . 15065 2 87 . 1 1 99 99 ARG N N 15 . 1 1 99 99 ARG H H 1 0.903 0.0310 . . . . . . . . . . 15065 2 88 . 1 1 100 100 HIS N N 15 . 1 1 100 100 HIS H H 1 0.930 0.0120 . . . . . . . . . . 15065 2 89 . 1 1 101 101 VAL N N 15 . 1 1 101 101 VAL H H 1 0.857 0.0160 . . . . . . . . . . 15065 2 90 . 1 1 102 102 PHE N N 15 . 1 1 102 102 PHE H H 1 0.853 0.0170 . . . . . . . . . . 15065 2 91 . 1 1 103 103 GLY N N 15 . 1 1 103 103 GLY H H 1 0.896 0.00800 . . . . . . . . . . 15065 2 92 . 1 1 104 104 GLU N N 15 . 1 1 104 104 GLU H H 1 0.885 0.00400 . . . . . . . . . . 15065 2 93 . 1 1 105 105 SER N N 15 . 1 1 105 105 SER H H 1 0.861 0.00800 . . . . . . . . . . 15065 2 94 . 1 1 106 106 ASP N N 15 . 1 1 106 106 ASP H H 1 0.863 0.00900 . . . . . . . . . . 15065 2 95 . 1 1 107 107 GLU N N 15 . 1 1 107 107 GLU H H 1 0.879 0.00800 . . . . . . . . . . 15065 2 96 . 1 1 108 108 LEU N N 15 . 1 1 108 108 LEU H H 1 0.892 0.00800 . . . . . . . . . . 15065 2 97 . 1 1 109 109 ILE N N 15 . 1 1 109 109 ILE H H 1 0.882 0.0460 . . . . . . . . . . 15065 2 98 . 1 1 110 110 GLY N N 15 . 1 1 110 110 GLY H H 1 0.908 0.00700 . . . . . . . . . . 15065 2 99 . 1 1 111 111 GLN N N 15 . 1 1 111 111 GLN H H 1 0.929 0.00700 . . . . . . . . . . 15065 2 100 . 1 1 112 112 LYS N N 15 . 1 1 112 112 LYS H H 1 0.796 0.0820 . . . . . . . . . . 15065 2 101 . 1 1 113 113 VAL N N 15 . 1 1 113 113 VAL H H 1 0.632 0.181 . . . . . . . . . . 15065 2 102 . 1 1 114 114 ALA N N 15 . 1 1 114 114 ALA H H 1 0.949 0.196 . . . . . . . . . . 15065 2 103 . 1 1 115 115 HIS N N 15 . 1 1 115 115 HIS H H 1 0.934 0.00500 . . . . . . . . . . 15065 2 104 . 1 1 116 116 ALA N N 15 . 1 1 116 116 ALA H H 1 0.905 0.00700 . . . . . . . . . . 15065 2 105 . 1 1 117 117 LEU N N 15 . 1 1 117 117 LEU H H 1 0.843 0.172 . . . . . . . . . . 15065 2 106 . 1 1 118 118 ALA N N 15 . 1 1 118 118 ALA H H 1 0.944 0.00600 . . . . . . . . . . 15065 2 107 . 1 1 119 119 GLU N N 15 . 1 1 119 119 GLU H H 1 0.912 0.00700 . . . . . . . . . . 15065 2 108 . 1 1 120 120 GLY N N 15 . 1 1 120 120 GLY H H 1 0.856 0.00800 . . . . . . . . . . 15065 2 109 . 1 1 121 121 LEU N N 15 . 1 1 121 121 LEU H H 1 0.897 0.00500 . . . . . . . . . . 15065 2 110 . 1 1 122 122 GLY N N 15 . 1 1 122 122 GLY H H 1 0.768 0.0830 . . . . . . . . . . 15065 2 111 . 1 1 123 123 VAL N N 15 . 1 1 123 123 VAL H H 1 0.959 0.255 . . . . . . . . . . 15065 2 112 . 1 1 124 124 ILE N N 15 . 1 1 124 124 ILE H H 1 0.765 0.203 . . . . . . . . . . 15065 2 113 . 1 1 125 125 ALA N N 15 . 1 1 125 125 ALA H H 1 1.03 0.232 . . . . . . . . . . 15065 2 114 . 1 1 127 127 ILE N N 15 . 1 1 127 127 ILE H H 1 0.724 0.118 . . . . . . . . . . 15065 2 115 . 1 1 128 128 GLY N N 15 . 1 1 128 128 GLY H H 1 0.864 0.0110 . . . . . . . . . . 15065 2 116 . 1 1 129 129 GLU N N 15 . 1 1 129 129 GLU H H 1 0.913 0.0110 . . . . . . . . . . 15065 2 117 . 1 1 130 130 LYS N N 15 . 1 1 130 130 LYS H H 1 0.935 0.00800 . . . . . . . . . . 15065 2 118 . 1 1 131 131 LEU N N 15 . 1 1 131 131 LEU H H 1 0.877 0.00900 . . . . . . . . . . 15065 2 119 . 1 1 132 132 ASP N N 15 . 1 1 132 132 ASP H H 1 0.828 0.0100 . . . . . . . . . . 15065 2 120 . 1 1 133 133 GLU N N 15 . 1 1 133 133 GLU H H 1 0.830 0.0110 . . . . . . . . . . 15065 2 121 . 1 1 135 135 GLU N N 15 . 1 1 135 135 GLU H H 1 0.906 0.00900 . . . . . . . . . . 15065 2 122 . 1 1 136 136 ALA N N 15 . 1 1 136 136 ALA H H 1 0.905 0.00900 . . . . . . . . . . 15065 2 123 . 1 1 137 137 GLY N N 15 . 1 1 137 137 GLY H H 1 0.879 0.00800 . . . . . . . . . . 15065 2 124 . 1 1 138 138 ILE N N 15 . 1 1 138 138 ILE H H 1 0.874 0.00900 . . . . . . . . . . 15065 2 125 . 1 1 139 139 THR N N 15 . 1 1 139 139 THR H H 1 0.881 0.0100 . . . . . . . . . . 15065 2 126 . 1 1 140 140 GLU N N 15 . 1 1 140 140 GLU H H 1 0.839 0.00800 . . . . . . . . . . 15065 2 127 . 1 1 141 141 LYS N N 15 . 1 1 141 141 LYS H H 1 0.791 0.00600 . . . . . . . . . . 15065 2 128 . 1 1 142 142 VAL N N 15 . 1 1 142 142 VAL H H 1 0.882 0.00800 . . . . . . . . . . 15065 2 129 . 1 1 143 143 VAL N N 15 . 1 1 143 143 VAL H H 1 0.919 0.0100 . . . . . . . . . . 15065 2 130 . 1 1 144 144 PHE N N 15 . 1 1 144 144 PHE H H 1 0.901 0.0100 . . . . . . . . . . 15065 2 131 . 1 1 145 145 GLU N N 15 . 1 1 145 145 GLU H H 1 0.874 0.00800 . . . . . . . . . . 15065 2 132 . 1 1 146 146 GLN N N 15 . 1 1 146 146 GLN H H 1 0.922 0.00900 . . . . . . . . . . 15065 2 133 . 1 1 147 147 THR N N 15 . 1 1 147 147 THR H H 1 0.836 0.0160 . . . . . . . . . . 15065 2 134 . 1 1 148 148 LYS N N 15 . 1 1 148 148 LYS H H 1 0.883 0.0120 . . . . . . . . . . 15065 2 135 . 1 1 149 149 ALA N N 15 . 1 1 149 149 ALA H H 1 0.918 0.00800 . . . . . . . . . . 15065 2 136 . 1 1 150 150 ILE N N 15 . 1 1 150 150 ILE H H 1 0.885 0.0950 . . . . . . . . . . 15065 2 137 . 1 1 151 151 ALA N N 15 . 1 1 151 151 ALA H H 1 1.09 0.195 . . . . . . . . . . 15065 2 138 . 1 1 152 152 ASP N N 15 . 1 1 152 152 ASP H H 1 0.914 0.00700 . . . . . . . . . . 15065 2 139 . 1 1 153 153 ASN N N 15 . 1 1 153 153 ASN H H 1 0.878 0.0110 . . . . . . . . . . 15065 2 140 . 1 1 154 154 VAL N N 15 . 1 1 154 154 VAL H H 1 0.849 0.00700 . . . . . . . . . . 15065 2 141 . 1 1 155 155 LYS N N 15 . 1 1 155 155 LYS H H 1 0.640 0.0120 . . . . . . . . . . 15065 2 142 . 1 1 156 156 ASP N N 15 . 1 1 156 156 ASP H H 1 0.271 0.00800 . . . . . . . . . . 15065 2 143 . 1 1 157 157 TRP N N 15 . 1 1 157 157 TRP H H 1 0.626 0.00900 . . . . . . . . . . 15065 2 144 . 1 1 158 158 SER N N 15 . 1 1 158 158 SER H H 1 0.845 0.0120 . . . . . . . . . . 15065 2 145 . 1 1 159 159 LYS N N 15 . 1 1 159 159 LYS H H 1 0.661 0.0120 . . . . . . . . . . 15065 2 146 . 1 1 160 160 VAL N N 15 . 1 1 160 160 VAL H H 1 0.885 0.0120 . . . . . . . . . . 15065 2 147 . 1 1 161 161 VAL N N 15 . 1 1 161 161 VAL H H 1 1.01 0.263 . . . . . . . . . . 15065 2 148 . 1 1 163 163 ALA N N 15 . 1 1 163 163 ALA H H 1 1.02 0.205 . . . . . . . . . . 15065 2 149 . 1 1 167 167 VAL N N 15 . 1 1 167 167 VAL H H 1 0.904 0.0100 . . . . . . . . . . 15065 2 150 . 1 1 169 169 ALA N N 15 . 1 1 169 169 ALA H H 1 0.924 0.0120 . . . . . . . . . . 15065 2 151 . 1 1 170 170 ILE N N 15 . 1 1 170 170 ILE H H 1 0.927 0.0100 . . . . . . . . . . 15065 2 152 . 1 1 171 171 GLY N N 15 . 1 1 171 171 GLY H H 1 0.844 0.0140 . . . . . . . . . . 15065 2 153 . 1 1 172 172 THR N N 15 . 1 1 172 172 THR H H 1 0.873 0.0130 . . . . . . . . . . 15065 2 154 . 1 1 173 173 GLY N N 15 . 1 1 173 173 GLY H H 1 0.881 0.0150 . . . . . . . . . . 15065 2 155 . 1 1 174 174 LYS N N 15 . 1 1 174 174 LYS H H 1 0.901 0.0110 . . . . . . . . . . 15065 2 156 . 1 1 175 175 THR N N 15 . 1 1 175 175 THR H H 1 0.700 0.00500 . . . . . . . . . . 15065 2 157 . 1 1 176 176 ALA N N 15 . 1 1 176 176 ALA H H 1 0.891 0.0110 . . . . . . . . . . 15065 2 158 . 1 1 177 177 THR N N 15 . 1 1 177 177 THR H H 1 0.901 0.00800 . . . . . . . . . . 15065 2 159 . 1 1 179 179 GLN N N 15 . 1 1 179 179 GLN H H 1 0.904 0.00800 . . . . . . . . . . 15065 2 160 . 1 1 181 181 ALA N N 15 . 1 1 181 181 ALA H H 1 0.802 0.00700 . . . . . . . . . . 15065 2 161 . 1 1 182 182 GLN N N 15 . 1 1 182 182 GLN H H 1 0.927 0.00900 . . . . . . . . . . 15065 2 162 . 1 1 183 183 GLU N N 15 . 1 1 183 183 GLU H H 1 0.918 0.00600 . . . . . . . . . . 15065 2 163 . 1 1 184 184 VAL N N 15 . 1 1 184 184 VAL H H 1 0.862 0.00700 . . . . . . . . . . 15065 2 164 . 1 1 185 185 HIS N N 15 . 1 1 185 185 HIS H H 1 0.937 0.0110 . . . . . . . . . . 15065 2 165 . 1 1 186 186 GLU N N 15 . 1 1 186 186 GLU H H 1 0.858 0.0170 . . . . . . . . . . 15065 2 166 . 1 1 187 187 LYS N N 15 . 1 1 187 187 LYS H H 1 0.940 0.00500 . . . . . . . . . . 15065 2 167 . 1 1 188 188 LEU N N 15 . 1 1 188 188 LEU H H 1 0.918 0.129 . . . . . . . . . . 15065 2 168 . 1 1 190 190 GLY N N 15 . 1 1 190 190 GLY H H 1 0.941 0.00500 . . . . . . . . . . 15065 2 169 . 1 1 191 191 TRP N N 15 . 1 1 191 191 TRP H H 1 0.941 0.0220 . . . . . . . . . . 15065 2 170 . 1 1 193 193 LYS N N 15 . 1 1 193 193 LYS H H 1 0.893 0.0330 . . . . . . . . . . 15065 2 171 . 1 1 194 194 SER N N 15 . 1 1 194 194 SER H H 1 0.872 0.00900 . . . . . . . . . . 15065 2 172 . 1 1 195 195 HIS N N 15 . 1 1 195 195 HIS H H 1 0.862 0.0120 . . . . . . . . . . 15065 2 173 . 1 1 196 196 VAL N N 15 . 1 1 196 196 VAL H H 1 0.894 0.0100 . . . . . . . . . . 15065 2 174 . 1 1 197 197 SER N N 15 . 1 1 197 197 SER H H 1 0.880 0.00800 . . . . . . . . . . 15065 2 175 . 1 1 198 198 ASP N N 15 . 1 1 198 198 ASP H H 1 0.849 0.0210 . . . . . . . . . . 15065 2 176 . 1 1 199 199 ALA N N 15 . 1 1 199 199 ALA H H 1 0.877 0.00800 . . . . . . . . . . 15065 2 177 . 1 1 200 200 VAL N N 15 . 1 1 200 200 VAL H H 1 0.914 0.0120 . . . . . . . . . . 15065 2 178 . 1 1 201 201 ALA N N 15 . 1 1 201 201 ALA H H 1 0.907 0.0110 . . . . . . . . . . 15065 2 179 . 1 1 202 202 GLN N N 15 . 1 1 202 202 GLN H H 1 0.856 0.0120 . . . . . . . . . . 15065 2 180 . 1 1 203 203 SER N N 15 . 1 1 203 203 SER H H 1 0.806 0.0150 . . . . . . . . . . 15065 2 181 . 1 1 204 204 THR N N 15 . 1 1 204 204 THR H H 1 0.832 0.0130 . . . . . . . . . . 15065 2 182 . 1 1 205 205 ARG N N 15 . 1 1 205 205 ARG H H 1 0.925 0.0140 . . . . . . . . . . 15065 2 183 . 1 1 206 206 ILE N N 15 . 1 1 206 206 ILE H H 1 0.603 0.209 . . . . . . . . . . 15065 2 184 . 1 1 212 212 VAL N N 15 . 1 1 212 212 VAL H H 1 0.780 0.00800 . . . . . . . . . . 15065 2 185 . 1 1 213 213 THR N N 15 . 1 1 213 213 THR H H 1 0.928 0.0100 . . . . . . . . . . 15065 2 186 . 1 1 214 214 GLY N N 15 . 1 1 214 214 GLY H H 1 0.857 0.0100 . . . . . . . . . . 15065 2 187 . 1 1 215 215 GLY N N 15 . 1 1 215 215 GLY H H 1 0.795 0.0130 . . . . . . . . . . 15065 2 188 . 1 1 216 216 ASN N N 15 . 1 1 216 216 ASN H H 1 0.813 0.0170 . . . . . . . . . . 15065 2 189 . 1 1 217 217 CYS N N 15 . 1 1 217 217 CYS H H 1 0.838 0.0180 . . . . . . . . . . 15065 2 190 . 1 1 218 218 LYS N N 15 . 1 1 218 218 LYS H H 1 0.861 0.00800 . . . . . . . . . . 15065 2 191 . 1 1 220 220 LEU N N 15 . 1 1 220 220 LEU H H 1 0.836 0.00800 . . . . . . . . . . 15065 2 192 . 1 1 221 221 ALA N N 15 . 1 1 221 221 ALA H H 1 0.866 0.0100 . . . . . . . . . . 15065 2 193 . 1 1 222 222 SER N N 15 . 1 1 222 222 SER H H 1 0.830 0.0100 . . . . . . . . . . 15065 2 194 . 1 1 223 223 GLN N N 15 . 1 1 223 223 GLN H H 1 0.880 0.00800 . . . . . . . . . . 15065 2 195 . 1 1 224 224 HIS N N 15 . 1 1 224 224 HIS H H 1 0.862 0.00700 . . . . . . . . . . 15065 2 196 . 1 1 225 225 ASP N N 15 . 1 1 225 225 ASP H H 1 0.854 0.0130 . . . . . . . . . . 15065 2 197 . 1 1 226 226 VAL N N 15 . 1 1 226 226 VAL H H 1 0.885 0.00800 . . . . . . . . . . 15065 2 198 . 1 1 227 227 ASP N N 15 . 1 1 227 227 ASP H H 1 0.881 0.0100 . . . . . . . . . . 15065 2 199 . 1 1 228 228 GLY N N 15 . 1 1 228 228 GLY H H 1 1.26 0.288 . . . . . . . . . . 15065 2 200 . 1 1 229 229 PHE N N 15 . 1 1 229 229 PHE H H 1 0.888 0.174 . . . . . . . . . . 15065 2 201 . 1 1 230 230 LEU N N 15 . 1 1 230 230 LEU H H 1 0.967 0.0970 . . . . . . . . . . 15065 2 202 . 1 1 231 231 VAL N N 15 . 1 1 231 231 VAL H H 1 0.976 0.172 . . . . . . . . . . 15065 2 203 . 1 1 233 233 GLY N N 15 . 1 1 233 233 GLY H H 1 0.892 0.0110 . . . . . . . . . . 15065 2 204 . 1 1 234 234 ALA N N 15 . 1 1 234 234 ALA H H 1 0.878 0.0140 . . . . . . . . . . 15065 2 205 . 1 1 235 235 SER N N 15 . 1 1 235 235 SER H H 1 0.896 0.0170 . . . . . . . . . . 15065 2 206 . 1 1 236 236 LEU N N 15 . 1 1 236 236 LEU H H 1 0.859 0.0110 . . . . . . . . . . 15065 2 207 . 1 1 237 237 LYS N N 15 . 1 1 237 237 LYS H H 1 0.820 0.00700 . . . . . . . . . . 15065 2 208 . 1 1 239 239 GLU N N 15 . 1 1 239 239 GLU H H 1 0.775 0.00700 . . . . . . . . . . 15065 2 209 . 1 1 240 240 PHE N N 15 . 1 1 240 240 PHE H H 1 0.883 0.00900 . . . . . . . . . . 15065 2 210 . 1 1 241 241 VAL N N 15 . 1 1 241 241 VAL H H 1 0.883 0.00900 . . . . . . . . . . 15065 2 211 . 1 1 242 242 ASP N N 15 . 1 1 242 242 ASP H H 1 0.896 0.00800 . . . . . . . . . . 15065 2 212 . 1 1 243 243 ILE N N 15 . 1 1 243 243 ILE H H 1 0.890 0.0230 . . . . . . . . . . 15065 2 213 . 1 1 245 245 ASN N N 15 . 1 1 245 245 ASN H H 1 0.895 0.00800 . . . . . . . . . . 15065 2 214 . 1 1 246 246 ALA N N 15 . 1 1 246 246 ALA H H 1 0.839 0.00800 . . . . . . . . . . 15065 2 215 . 1 1 247 247 LYS N N 15 . 1 1 247 247 LYS H H 1 0.718 0.00900 . . . . . . . . . . 15065 2 216 . 1 1 248 248 HIS N N 15 . 1 1 248 248 HIS H H 1 0.558 0.00300 . . . . . . . . . . 15065 2 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 15065 _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 8 '1H-15N T1' . . . 15065 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 1.739 0.0270 . . . . . 15065 1 2 . 1 1 5 5 LYS N N 15 2.362 0.0730 . . . . . 15065 1 3 . 1 1 6 6 PHE N N 15 2.478 0.0650 . . . . . 15065 1 4 . 1 1 7 7 PHE N N 15 2.450 0.119 . . . . . 15065 1 5 . 1 1 8 8 VAL N N 15 2.125 0.180 . . . . . 15065 1 6 . 1 1 9 9 GLY N N 15 2.201 0.175 . . . . . 15065 1 7 . 1 1 10 10 GLY N N 15 2.400 0.267 . . . . . 15065 1 8 . 1 1 11 11 ASN N N 15 2.717 0.128 . . . . . 15065 1 9 . 1 1 12 12 TRP N N 15 2.315 0.260 . . . . . 15065 1 10 . 1 1 13 13 LYS N N 15 2.278 0.0810 . . . . . 15065 1 11 . 1 1 14 14 MET N N 15 2.384 0.0560 . . . . . 15065 1 12 . 1 1 15 15 ASN N N 15 2.486 0.0550 . . . . . 15065 1 13 . 1 1 16 16 GLY N N 15 2.541 0.0890 . . . . . 15065 1 14 . 1 1 17 17 ASP N N 15 2.918 0.0700 . . . . . 15065 1 15 . 1 1 18 18 LYS N N 15 2.982 0.0850 . . . . . 15065 1 16 . 1 1 19 19 LYS N N 15 2.642 0.0710 . . . . . 15065 1 17 . 1 1 20 20 SER N N 15 2.769 0.0800 . . . . . 15065 1 18 . 1 1 21 21 LEU N N 15 3.032 0.0970 . . . . . 15065 1 19 . 1 1 22 22 GLY N N 15 2.968 0.0550 . . . . . 15065 1 20 . 1 1 23 23 GLU N N 15 2.708 0.0580 . . . . . 15065 1 21 . 1 1 24 24 LEU N N 15 2.955 0.0720 . . . . . 15065 1 22 . 1 1 25 25 ILE N N 15 2.366 0.0470 . . . . . 15065 1 23 . 1 1 26 26 HIS N N 15 2.596 0.0790 . . . . . 15065 1 24 . 1 1 27 27 THR N N 15 2.755 0.0730 . . . . . 15065 1 25 . 1 1 28 28 LEU N N 15 2.940 0.0630 . . . . . 15065 1 26 . 1 1 29 29 ASN N N 15 2.814 0.0600 . . . . . 15065 1 27 . 1 1 30 30 GLY N N 15 2.453 0.0550 . . . . . 15065 1 28 . 1 1 31 31 ALA N N 15 2.584 0.0700 . . . . . 15065 1 29 . 1 1 32 32 LYS N N 15 2.348 0.0500 . . . . . 15065 1 30 . 1 1 33 33 LEU N N 15 2.412 0.0630 . . . . . 15065 1 31 . 1 1 34 34 SER N N 15 2.226 0.0460 . . . . . 15065 1 32 . 1 1 35 35 ALA N N 15 2.296 0.130 . . . . . 15065 1 33 . 1 1 36 36 ASP N N 15 1.949 0.0420 . . . . . 15065 1 34 . 1 1 37 37 THR N N 15 2.156 0.0410 . . . . . 15065 1 35 . 1 1 38 38 GLU N N 15 2.426 0.0640 . . . . . 15065 1 36 . 1 1 39 39 VAL N N 15 2.442 0.0470 . . . . . 15065 1 37 . 1 1 40 40 VAL N N 15 2.327 0.260 . . . . . 15065 1 38 . 1 1 41 41 CYS N N 15 1.799 0.197 . . . . . 15065 1 39 . 1 1 42 42 GLY N N 15 1.917 0.243 . . . . . 15065 1 40 . 1 1 43 43 ALA N N 15 2.380 0.175 . . . . . 15065 1 41 . 1 1 46 46 ILE N N 15 2.297 0.0240 . . . . . 15065 1 42 . 1 1 47 47 TYR N N 15 2.598 0.253 . . . . . 15065 1 43 . 1 1 48 48 LEU N N 15 2.747 0.124 . . . . . 15065 1 44 . 1 1 49 49 ASP N N 15 2.577 0.0570 . . . . . 15065 1 45 . 1 1 50 50 PHE N N 15 2.435 0.0690 . . . . . 15065 1 46 . 1 1 51 51 ALA N N 15 2.077 0.248 . . . . . 15065 1 47 . 1 1 52 52 ARG N N 15 2.479 0.142 . . . . . 15065 1 48 . 1 1 53 53 GLN N N 15 2.643 0.0480 . . . . . 15065 1 49 . 1 1 54 54 LYS N N 15 2.478 0.0690 . . . . . 15065 1 50 . 1 1 55 55 LEU N N 15 2.294 0.0890 . . . . . 15065 1 51 . 1 1 56 56 ASP N N 15 2.430 0.0500 . . . . . 15065 1 52 . 1 1 57 57 ALA N N 15 2.346 0.0300 . . . . . 15065 1 53 . 1 1 58 58 LYS N N 15 2.219 0.0290 . . . . . 15065 1 54 . 1 1 59 59 ILE N N 15 2.479 0.0410 . . . . . 15065 1 55 . 1 1 60 60 GLY N N 15 2.687 0.0660 . . . . . 15065 1 56 . 1 1 61 61 VAL N N 15 2.326 0.0810 . . . . . 15065 1 57 . 1 1 62 62 ALA N N 15 2.029 0.167 . . . . . 15065 1 58 . 1 1 63 63 ALA N N 15 2.333 0.170 . . . . . 15065 1 59 . 1 1 64 64 GLN N N 15 2.989 0.0930 . . . . . 15065 1 60 . 1 1 65 65 ASN N N 15 2.407 0.0440 . . . . . 15065 1 61 . 1 1 66 66 CYS N N 15 2.476 0.0320 . . . . . 15065 1 62 . 1 1 67 67 TYR N N 15 2.578 0.0590 . . . . . 15065 1 63 . 1 1 71 71 LYS N N 15 2.377 0.0330 . . . . . 15065 1 64 . 1 1 72 72 GLY N N 15 2.375 0.0820 . . . . . 15065 1 65 . 1 1 73 73 ALA N N 15 2.338 0.0420 . . . . . 15065 1 66 . 1 1 74 74 PHE N N 15 2.538 0.0510 . . . . . 15065 1 67 . 1 1 75 75 THR N N 15 2.563 0.108 . . . . . 15065 1 68 . 1 1 76 76 GLY N N 15 2.498 0.0570 . . . . . 15065 1 69 . 1 1 77 77 GLU N N 15 2.552 0.0340 . . . . . 15065 1 70 . 1 1 78 78 ILE N N 15 2.681 0.0540 . . . . . 15065 1 71 . 1 1 79 79 SER N N 15 2.553 0.0640 . . . . . 15065 1 72 . 1 1 81 81 ALA N N 15 2.491 0.0640 . . . . . 15065 1 73 . 1 1 82 82 MET N N 15 2.385 0.0210 . . . . . 15065 1 74 . 1 1 84 84 LYS N N 15 2.391 0.0710 . . . . . 15065 1 75 . 1 1 85 85 ASP N N 15 2.430 0.0360 . . . . . 15065 1 76 . 1 1 87 87 GLY N N 15 2.457 0.0310 . . . . . 15065 1 77 . 1 1 88 88 ALA N N 15 2.993 0.0670 . . . . . 15065 1 78 . 1 1 89 89 ALA N N 15 2.520 0.0940 . . . . . 15065 1 79 . 1 1 90 90 TRP N N 15 2.543 0.0900 . . . . . 15065 1 80 . 1 1 91 91 VAL N N 15 1.849 0.448 . . . . . 15065 1 81 . 1 1 92 92 ILE N N 15 1.690 0.395 . . . . . 15065 1 82 . 1 1 93 93 LEU N N 15 2.801 0.0890 . . . . . 15065 1 83 . 1 1 94 94 GLY N N 15 3.184 0.142 . . . . . 15065 1 84 . 1 1 95 95 HIS N N 15 2.415 0.0430 . . . . . 15065 1 85 . 1 1 97 97 GLU N N 15 2.507 0.110 . . . . . 15065 1 86 . 1 1 98 98 ARG N N 15 2.854 0.0780 . . . . . 15065 1 87 . 1 1 99 99 ARG N N 15 2.474 0.182 . . . . . 15065 1 88 . 1 1 100 100 HIS N N 15 2.608 0.0910 . . . . . 15065 1 89 . 1 1 101 101 VAL N N 15 2.301 0.0510 . . . . . 15065 1 90 . 1 1 102 102 PHE N N 15 2.994 0.101 . . . . . 15065 1 91 . 1 1 103 103 GLY N N 15 2.659 0.0600 . . . . . 15065 1 92 . 1 1 104 104 GLU N N 15 2.419 0.0490 . . . . . 15065 1 93 . 1 1 105 105 SER N N 15 2.926 0.0490 . . . . . 15065 1 94 . 1 1 106 106 ASP N N 15 2.435 0.0740 . . . . . 15065 1 95 . 1 1 107 107 GLU N N 15 2.272 0.0400 . . . . . 15065 1 96 . 1 1 108 108 LEU N N 15 2.399 0.0300 . . . . . 15065 1 97 . 1 1 109 109 ILE N N 15 2.032 0.0860 . . . . . 15065 1 98 . 1 1 110 110 GLY N N 15 2.342 0.0320 . . . . . 15065 1 99 . 1 1 111 111 GLN N N 15 2.361 0.0350 . . . . . 15065 1 100 . 1 1 112 112 LYS N N 15 1.800 0.244 . . . . . 15065 1 101 . 1 1 113 113 VAL N N 15 1.710 0.273 . . . . . 15065 1 102 . 1 1 114 114 ALA N N 15 2.286 0.209 . . . . . 15065 1 103 . 1 1 115 115 HIS N N 15 2.320 0.0350 . . . . . 15065 1 104 . 1 1 116 116 ALA N N 15 2.546 0.0480 . . . . . 15065 1 105 . 1 1 117 117 LEU N N 15 1.748 0.116 . . . . . 15065 1 106 . 1 1 118 118 ALA N N 15 2.384 0.0330 . . . . . 15065 1 107 . 1 1 119 119 GLU N N 15 2.493 0.0400 . . . . . 15065 1 108 . 1 1 120 120 GLY N N 15 2.459 0.0380 . . . . . 15065 1 109 . 1 1 121 121 LEU N N 15 2.430 0.0420 . . . . . 15065 1 110 . 1 1 122 122 GLY N N 15 2.414 0.164 . . . . . 15065 1 111 . 1 1 123 123 VAL N N 15 2.198 0.336 . . . . . 15065 1 112 . 1 1 124 124 ILE N N 15 2.487 0.632 . . . . . 15065 1 113 . 1 1 125 125 ALA N N 15 3.643 0.932 . . . . . 15065 1 114 . 1 1 127 127 ILE N N 15 2.769 0.822 . . . . . 15065 1 115 . 1 1 128 128 GLY N N 15 2.549 0.0350 . . . . . 15065 1 116 . 1 1 129 129 GLU N N 15 2.856 0.0760 . . . . . 15065 1 117 . 1 1 130 130 LYS N N 15 2.348 0.0550 . . . . . 15065 1 118 . 1 1 131 131 LEU N N 15 2.633 0.102 . . . . . 15065 1 119 . 1 1 132 132 ASP N N 15 2.580 0.0880 . . . . . 15065 1 120 . 1 1 133 133 GLU N N 15 2.533 0.0700 . . . . . 15065 1 121 . 1 1 135 135 GLU N N 15 2.778 0.101 . . . . . 15065 1 122 . 1 1 136 136 ALA N N 15 2.627 0.0790 . . . . . 15065 1 123 . 1 1 137 137 GLY N N 15 2.391 0.0800 . . . . . 15065 1 124 . 1 1 138 138 ILE N N 15 2.398 0.0720 . . . . . 15065 1 125 . 1 1 139 139 THR N N 15 2.415 0.0670 . . . . . 15065 1 126 . 1 1 140 140 GLU N N 15 2.488 0.0570 . . . . . 15065 1 127 . 1 1 141 141 LYS N N 15 2.339 0.0850 . . . . . 15065 1 128 . 1 1 142 142 VAL N N 15 2.403 0.119 . . . . . 15065 1 129 . 1 1 143 143 VAL N N 15 2.454 0.0790 . . . . . 15065 1 130 . 1 1 144 144 PHE N N 15 2.193 0.0840 . . . . . 15065 1 131 . 1 1 145 145 GLU N N 15 2.251 0.0750 . . . . . 15065 1 132 . 1 1 146 146 GLN N N 15 2.370 0.0710 . . . . . 15065 1 133 . 1 1 147 147 THR N N 15 2.387 0.0830 . . . . . 15065 1 134 . 1 1 148 148 LYS N N 15 2.120 0.0910 . . . . . 15065 1 135 . 1 1 149 149 ALA N N 15 2.397 0.0440 . . . . . 15065 1 136 . 1 1 150 150 ILE N N 15 2.466 0.324 . . . . . 15065 1 137 . 1 1 151 151 ALA N N 15 1.643 0.182 . . . . . 15065 1 138 . 1 1 152 152 ASP N N 15 2.234 0.0440 . . . . . 15065 1 139 . 1 1 153 153 ASN N N 15 2.365 0.0430 . . . . . 15065 1 140 . 1 1 154 154 VAL N N 15 2.585 0.0480 . . . . . 15065 1 141 . 1 1 155 155 LYS N N 15 2.402 0.162 . . . . . 15065 1 142 . 1 1 156 156 ASP N N 15 2.555 0.119 . . . . . 15065 1 143 . 1 1 157 157 TRP N N 15 2.249 0.0280 . . . . . 15065 1 144 . 1 1 158 158 SER N N 15 2.247 0.0430 . . . . . 15065 1 145 . 1 1 159 159 LYS N N 15 1.911 0.0290 . . . . . 15065 1 146 . 1 1 160 160 VAL N N 15 2.839 0.0520 . . . . . 15065 1 147 . 1 1 161 161 VAL N N 15 3.271 1.07 . . . . . 15065 1 148 . 1 1 163 163 ALA N N 15 3.130 0.660 . . . . . 15065 1 149 . 1 1 167 167 VAL N N 15 2.284 0.0720 . . . . . 15065 1 150 . 1 1 169 169 ALA N N 15 2.161 0.0460 . . . . . 15065 1 151 . 1 1 170 170 ILE N N 15 2.395 0.0610 . . . . . 15065 1 152 . 1 1 171 171 GLY N N 15 2.559 0.0570 . . . . . 15065 1 153 . 1 1 172 172 THR N N 15 2.383 0.0520 . . . . . 15065 1 154 . 1 1 173 173 GLY N N 15 2.428 0.0700 . . . . . 15065 1 155 . 1 1 174 174 LYS N N 15 2.299 0.0420 . . . . . 15065 1 156 . 1 1 175 175 THR N N 15 2.190 0.0470 . . . . . 15065 1 157 . 1 1 176 176 ALA N N 15 2.425 0.0510 . . . . . 15065 1 158 . 1 1 177 177 THR N N 15 2.371 0.0470 . . . . . 15065 1 159 . 1 1 179 179 GLN N N 15 2.269 0.0560 . . . . . 15065 1 160 . 1 1 181 181 ALA N N 15 2.212 0.0500 . . . . . 15065 1 161 . 1 1 182 182 GLN N N 15 2.382 0.0620 . . . . . 15065 1 162 . 1 1 183 183 GLU N N 15 2.214 0.0470 . . . . . 15065 1 163 . 1 1 184 184 VAL N N 15 2.395 0.0400 . . . . . 15065 1 164 . 1 1 185 185 HIS N N 15 2.256 0.0800 . . . . . 15065 1 165 . 1 1 186 186 GLU N N 15 2.437 0.100 . . . . . 15065 1 166 . 1 1 187 187 LYS N N 15 2.090 0.0870 . . . . . 15065 1 167 . 1 1 188 188 LEU N N 15 2.066 0.378 . . . . . 15065 1 168 . 1 1 190 190 GLY N N 15 2.251 0.0640 . . . . . 15065 1 169 . 1 1 191 191 TRP N N 15 2.554 0.0880 . . . . . 15065 1 170 . 1 1 193 193 LYS N N 15 2.291 0.130 . . . . . 15065 1 171 . 1 1 194 194 SER N N 15 2.356 0.0310 . . . . . 15065 1 172 . 1 1 195 195 HIS N N 15 2.382 0.0360 . . . . . 15065 1 173 . 1 1 196 196 VAL N N 15 2.771 0.0440 . . . . . 15065 1 174 . 1 1 197 197 SER N N 15 2.484 0.0350 . . . . . 15065 1 175 . 1 1 198 198 ASP N N 15 2.324 0.117 . . . . . 15065 1 176 . 1 1 199 199 ALA N N 15 2.170 0.0530 . . . . . 15065 1 177 . 1 1 200 200 VAL N N 15 2.420 0.0660 . . . . . 15065 1 178 . 1 1 201 201 ALA N N 15 2.290 0.0450 . . . . . 15065 1 179 . 1 1 202 202 GLN N N 15 2.308 0.0470 . . . . . 15065 1 180 . 1 1 203 203 SER N N 15 2.264 0.0460 . . . . . 15065 1 181 . 1 1 204 204 THR N N 15 2.559 0.0400 . . . . . 15065 1 182 . 1 1 205 205 ARG N N 15 2.701 0.0660 . . . . . 15065 1 183 . 1 1 206 206 ILE N N 15 1.905 1.30 . . . . . 15065 1 184 . 1 1 212 212 VAL N N 15 2.318 0.0730 . . . . . 15065 1 185 . 1 1 213 213 THR N N 15 2.870 0.0760 . . . . . 15065 1 186 . 1 1 214 214 GLY N N 15 2.730 0.0990 . . . . . 15065 1 187 . 1 1 215 215 GLY N N 15 2.788 0.134 . . . . . 15065 1 188 . 1 1 216 216 ASN N N 15 2.698 0.140 . . . . . 15065 1 189 . 1 1 217 217 CYS N N 15 2.365 0.0570 . . . . . 15065 1 190 . 1 1 218 218 LYS N N 15 2.345 0.0250 . . . . . 15065 1 191 . 1 1 220 220 LEU N N 15 2.486 0.0580 . . . . . 15065 1 192 . 1 1 221 221 ALA N N 15 2.310 0.0470 . . . . . 15065 1 193 . 1 1 222 222 SER N N 15 2.448 0.0360 . . . . . 15065 1 194 . 1 1 223 223 GLN N N 15 2.733 0.0520 . . . . . 15065 1 195 . 1 1 224 224 HIS N N 15 2.350 0.0470 . . . . . 15065 1 196 . 1 1 225 225 ASP N N 15 2.459 0.0580 . . . . . 15065 1 197 . 1 1 226 226 VAL N N 15 2.917 0.0410 . . . . . 15065 1 198 . 1 1 227 227 ASP N N 15 2.713 0.0370 . . . . . 15065 1 199 . 1 1 228 228 GLY N N 15 2.567 0.751 . . . . . 15065 1 200 . 1 1 229 229 PHE N N 15 2.280 0.369 . . . . . 15065 1 201 . 1 1 230 230 LEU N N 15 2.715 0.287 . . . . . 15065 1 202 . 1 1 231 231 VAL N N 15 2.376 0.100 . . . . . 15065 1 203 . 1 1 233 233 GLY N N 15 2.218 0.0690 . . . . . 15065 1 204 . 1 1 234 234 ALA N N 15 2.426 0.0570 . . . . . 15065 1 205 . 1 1 235 235 SER N N 15 2.441 0.119 . . . . . 15065 1 206 . 1 1 236 236 LEU N N 15 2.173 0.0890 . . . . . 15065 1 207 . 1 1 237 237 LYS N N 15 2.374 0.106 . . . . . 15065 1 208 . 1 1 239 239 GLU N N 15 2.282 0.0680 . . . . . 15065 1 209 . 1 1 240 240 PHE N N 15 2.423 0.115 . . . . . 15065 1 210 . 1 1 241 241 VAL N N 15 2.306 0.0900 . . . . . 15065 1 211 . 1 1 242 242 ASP N N 15 2.816 0.0730 . . . . . 15065 1 212 . 1 1 243 243 ILE N N 15 2.806 0.137 . . . . . 15065 1 213 . 1 1 245 245 ASN N N 15 2.643 0.0370 . . . . . 15065 1 214 . 1 1 246 246 ALA N N 15 2.706 0.0510 . . . . . 15065 1 215 . 1 1 247 247 LYS N N 15 2.530 0.0540 . . . . . 15065 1 216 . 1 1 248 248 HIS N N 15 1.314 0.0130 . . . . . 15065 1 stop_ save_ save_15N_T1_800MHz _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode 15N_T1_800MHz _Heteronucl_T1_list.Entry_ID 15065 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $standard_conditions _Heteronucl_T1_list.Spectrometer_frequency_1H 800 _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 8 '1H-15N T1' . . . 15065 2 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 1.889 0.0320 . . . . . 15065 2 2 . 1 1 5 5 LYS N N 15 2.987 0.0490 . . . . . 15065 2 3 . 1 1 6 6 PHE N N 15 3.067 0.0800 . . . . . 15065 2 4 . 1 1 7 7 PHE N N 15 2.535 0.206 . . . . . 15065 2 5 . 1 1 8 8 VAL N N 15 3.271 0.108 . . . . . 15065 2 6 . 1 1 9 9 GLY N N 15 2.899 0.132 . . . . . 15065 2 7 . 1 1 10 10 GLY N N 15 2.938 0.242 . . . . . 15065 2 8 . 1 1 11 11 ASN N N 15 3.445 0.146 . . . . . 15065 2 9 . 1 1 12 12 TRP N N 15 3.043 0.189 . . . . . 15065 2 10 . 1 1 13 13 LYS N N 15 2.909 0.109 . . . . . 15065 2 11 . 1 1 14 14 MET N N 15 3.158 0.171 . . . . . 15065 2 12 . 1 1 15 15 ASN N N 15 2.771 0.116 . . . . . 15065 2 13 . 1 1 16 16 GLY N N 15 3.352 0.0850 . . . . . 15065 2 14 . 1 1 17 17 ASP N N 15 3.352 0.126 . . . . . 15065 2 15 . 1 1 18 18 LYS N N 15 3.283 0.146 . . . . . 15065 2 16 . 1 1 19 19 LYS N N 15 2.982 0.123 . . . . . 15065 2 17 . 1 1 20 20 SER N N 15 3.567 0.149 . . . . . 15065 2 18 . 1 1 21 21 LEU N N 15 2.774 0.0860 . . . . . 15065 2 19 . 1 1 22 22 GLY N N 15 3.100 0.125 . . . . . 15065 2 20 . 1 1 23 23 GLU N N 15 3.222 0.114 . . . . . 15065 2 21 . 1 1 24 24 LEU N N 15 3.567 0.109 . . . . . 15065 2 22 . 1 1 25 25 ILE N N 15 2.656 0.0680 . . . . . 15065 2 23 . 1 1 26 26 HIS N N 15 3.066 0.112 . . . . . 15065 2 24 . 1 1 27 27 THR N N 15 3.536 0.137 . . . . . 15065 2 25 . 1 1 28 28 LEU N N 15 2.741 0.116 . . . . . 15065 2 26 . 1 1 29 29 ASN N N 15 3.605 0.103 . . . . . 15065 2 27 . 1 1 30 30 GLY N N 15 2.806 0.0740 . . . . . 15065 2 28 . 1 1 31 31 ALA N N 15 2.656 0.0770 . . . . . 15065 2 29 . 1 1 32 32 LYS N N 15 2.981 0.102 . . . . . 15065 2 30 . 1 1 33 33 LEU N N 15 2.830 0.0560 . . . . . 15065 2 31 . 1 1 34 34 SER N N 15 2.681 0.0740 . . . . . 15065 2 32 . 1 1 35 35 ALA N N 15 2.806 0.0860 . . . . . 15065 2 33 . 1 1 36 36 ASP N N 15 2.253 0.0640 . . . . . 15065 2 34 . 1 1 37 37 THR N N 15 2.419 0.0660 . . . . . 15065 2 35 . 1 1 38 38 GLU N N 15 2.854 0.0780 . . . . . 15065 2 36 . 1 1 39 39 VAL N N 15 3.321 0.0420 . . . . . 15065 2 37 . 1 1 40 40 VAL N N 15 2.804 0.207 . . . . . 15065 2 38 . 1 1 41 41 CYS N N 15 1.944 0.235 . . . . . 15065 2 39 . 1 1 42 42 GLY N N 15 2.476 0.199 . . . . . 15065 2 40 . 1 1 43 43 ALA N N 15 2.485 0.109 . . . . . 15065 2 41 . 1 1 46 46 ILE N N 15 2.616 0.0950 . . . . . 15065 2 42 . 1 1 47 47 TYR N N 15 2.584 0.134 . . . . . 15065 2 43 . 1 1 48 48 LEU N N 15 2.795 0.0580 . . . . . 15065 2 44 . 1 1 49 49 ASP N N 15 2.861 0.123 . . . . . 15065 2 45 . 1 1 50 50 PHE N N 15 3.128 0.0860 . . . . . 15065 2 46 . 1 1 51 51 ALA N N 15 3.330 0.582 . . . . . 15065 2 47 . 1 1 52 52 ARG N N 15 2.778 0.162 . . . . . 15065 2 48 . 1 1 53 53 GLN N N 15 3.152 0.0700 . . . . . 15065 2 49 . 1 1 54 54 LYS N N 15 2.901 0.0860 . . . . . 15065 2 50 . 1 1 55 55 LEU N N 15 2.747 0.0520 . . . . . 15065 2 51 . 1 1 56 56 ASP N N 15 2.892 0.0690 . . . . . 15065 2 52 . 1 1 57 57 ALA N N 15 2.951 0.0590 . . . . . 15065 2 53 . 1 1 58 58 LYS N N 15 2.858 0.0440 . . . . . 15065 2 54 . 1 1 59 59 ILE N N 15 2.943 0.0680 . . . . . 15065 2 55 . 1 1 60 60 GLY N N 15 3.048 0.0690 . . . . . 15065 2 56 . 1 1 61 61 VAL N N 15 3.138 0.0770 . . . . . 15065 2 57 . 1 1 62 62 ALA N N 15 2.732 0.159 . . . . . 15065 2 58 . 1 1 63 63 ALA N N 15 2.392 0.112 . . . . . 15065 2 59 . 1 1 64 64 GLN N N 15 3.457 0.188 . . . . . 15065 2 60 . 1 1 65 65 ASN N N 15 2.459 0.0850 . . . . . 15065 2 61 . 1 1 66 66 CYS N N 15 2.980 0.0970 . . . . . 15065 2 62 . 1 1 67 67 TYR N N 15 2.822 0.153 . . . . . 15065 2 63 . 1 1 71 71 LYS N N 15 2.635 0.0760 . . . . . 15065 2 64 . 1 1 72 72 GLY N N 15 3.020 0.100 . . . . . 15065 2 65 . 1 1 73 73 ALA N N 15 2.700 0.113 . . . . . 15065 2 66 . 1 1 74 74 PHE N N 15 2.940 0.105 . . . . . 15065 2 67 . 1 1 75 75 THR N N 15 3.327 0.139 . . . . . 15065 2 68 . 1 1 76 76 GLY N N 15 2.962 0.101 . . . . . 15065 2 69 . 1 1 77 77 GLU N N 15 2.731 0.0790 . . . . . 15065 2 70 . 1 1 78 78 ILE N N 15 3.240 0.115 . . . . . 15065 2 71 . 1 1 79 79 SER N N 15 2.750 0.103 . . . . . 15065 2 72 . 1 1 81 81 ALA N N 15 2.692 0.0780 . . . . . 15065 2 73 . 1 1 82 82 MET N N 15 2.649 0.0750 . . . . . 15065 2 74 . 1 1 84 84 LYS N N 15 3.010 0.231 . . . . . 15065 2 75 . 1 1 85 85 ASP N N 15 2.739 0.0680 . . . . . 15065 2 76 . 1 1 87 87 GLY N N 15 3.019 0.0530 . . . . . 15065 2 77 . 1 1 88 88 ALA N N 15 3.232 0.103 . . . . . 15065 2 78 . 1 1 89 89 ALA N N 15 3.293 0.0900 . . . . . 15065 2 79 . 1 1 90 90 TRP N N 15 3.341 0.0720 . . . . . 15065 2 80 . 1 1 91 91 VAL N N 15 2.726 0.220 . . . . . 15065 2 81 . 1 1 92 92 ILE N N 15 3.795 2.16 . . . . . 15065 2 82 . 1 1 93 93 LEU N N 15 3.614 0.125 . . . . . 15065 2 83 . 1 1 94 94 GLY N N 15 3.795 0.205 . . . . . 15065 2 84 . 1 1 95 95 HIS N N 15 2.896 0.112 . . . . . 15065 2 85 . 1 1 97 97 GLU N N 15 2.956 0.0840 . . . . . 15065 2 86 . 1 1 98 98 ARG N N 15 3.255 0.169 . . . . . 15065 2 87 . 1 1 99 99 ARG N N 15 3.058 0.160 . . . . . 15065 2 88 . 1 1 100 100 HIS N N 15 3.006 0.108 . . . . . 15065 2 89 . 1 1 101 101 VAL N N 15 2.573 0.0670 . . . . . 15065 2 90 . 1 1 102 102 PHE N N 15 3.251 0.175 . . . . . 15065 2 91 . 1 1 103 103 GLY N N 15 3.064 0.0750 . . . . . 15065 2 92 . 1 1 104 104 GLU N N 15 2.879 0.0990 . . . . . 15065 2 93 . 1 1 105 105 SER N N 15 3.479 0.161 . . . . . 15065 2 94 . 1 1 106 106 ASP N N 15 2.894 0.0780 . . . . . 15065 2 95 . 1 1 107 107 GLU N N 15 2.549 0.0980 . . . . . 15065 2 96 . 1 1 108 108 LEU N N 15 2.775 0.113 . . . . . 15065 2 97 . 1 1 109 109 ILE N N 15 2.475 0.112 . . . . . 15065 2 98 . 1 1 110 110 GLY N N 15 2.425 0.0720 . . . . . 15065 2 99 . 1 1 111 111 GLN N N 15 2.668 0.0760 . . . . . 15065 2 100 . 1 1 112 112 LYS N N 15 2.276 0.162 . . . . . 15065 2 101 . 1 1 113 113 VAL N N 15 2.604 0.845 . . . . . 15065 2 102 . 1 1 114 114 ALA N N 15 1.798 0.343 . . . . . 15065 2 103 . 1 1 115 115 HIS N N 15 2.461 0.0540 . . . . . 15065 2 104 . 1 1 116 116 ALA N N 15 3.182 0.119 . . . . . 15065 2 105 . 1 1 117 117 LEU N N 15 1.979 0.348 . . . . . 15065 2 106 . 1 1 118 118 ALA N N 15 2.836 0.0620 . . . . . 15065 2 107 . 1 1 119 119 GLU N N 15 3.139 0.0670 . . . . . 15065 2 108 . 1 1 120 120 GLY N N 15 2.515 0.0610 . . . . . 15065 2 109 . 1 1 121 121 LEU N N 15 2.621 0.0590 . . . . . 15065 2 110 . 1 1 122 122 GLY N N 15 3.741 0.399 . . . . . 15065 2 111 . 1 1 123 123 VAL N N 15 3.408 0.820 . . . . . 15065 2 112 . 1 1 124 124 ILE N N 15 4.150 0.947 . . . . . 15065 2 113 . 1 1 125 125 ALA N N 15 3.027 0.548 . . . . . 15065 2 114 . 1 1 127 127 ILE N N 15 3.055 1.23 . . . . . 15065 2 115 . 1 1 128 128 GLY N N 15 2.876 0.0820 . . . . . 15065 2 116 . 1 1 129 129 GLU N N 15 3.286 0.169 . . . . . 15065 2 117 . 1 1 130 130 LYS N N 15 2.972 0.0840 . . . . . 15065 2 118 . 1 1 131 131 LEU N N 15 3.308 0.164 . . . . . 15065 2 119 . 1 1 132 132 ASP N N 15 3.142 0.0910 . . . . . 15065 2 120 . 1 1 133 133 GLU N N 15 3.122 0.0940 . . . . . 15065 2 121 . 1 1 135 135 GLU N N 15 3.396 0.127 . . . . . 15065 2 122 . 1 1 136 136 ALA N N 15 3.492 0.0700 . . . . . 15065 2 123 . 1 1 137 137 GLY N N 15 2.796 0.0770 . . . . . 15065 2 124 . 1 1 138 138 ILE N N 15 2.796 0.0880 . . . . . 15065 2 125 . 1 1 139 139 THR N N 15 3.087 0.0880 . . . . . 15065 2 126 . 1 1 140 140 GLU N N 15 2.731 0.0870 . . . . . 15065 2 127 . 1 1 141 141 LYS N N 15 3.177 0.0960 . . . . . 15065 2 128 . 1 1 142 142 VAL N N 15 3.262 0.128 . . . . . 15065 2 129 . 1 1 143 143 VAL N N 15 3.226 0.121 . . . . . 15065 2 130 . 1 1 144 144 PHE N N 15 2.809 0.0930 . . . . . 15065 2 131 . 1 1 145 145 GLU N N 15 2.765 0.106 . . . . . 15065 2 132 . 1 1 146 146 GLN N N 15 3.282 0.0970 . . . . . 15065 2 133 . 1 1 147 147 THR N N 15 2.942 0.141 . . . . . 15065 2 134 . 1 1 148 148 LYS N N 15 2.829 0.0880 . . . . . 15065 2 135 . 1 1 149 149 ALA N N 15 2.870 0.0720 . . . . . 15065 2 136 . 1 1 150 150 ILE N N 15 2.824 0.285 . . . . . 15065 2 137 . 1 1 151 151 ALA N N 15 2.159 0.298 . . . . . 15065 2 138 . 1 1 152 152 ASP N N 15 2.922 0.0540 . . . . . 15065 2 139 . 1 1 153 153 ASN N N 15 3.078 0.0730 . . . . . 15065 2 140 . 1 1 154 154 VAL N N 15 2.919 0.0780 . . . . . 15065 2 141 . 1 1 155 155 LYS N N 15 2.961 0.0830 . . . . . 15065 2 142 . 1 1 156 156 ASP N N 15 3.088 0.112 . . . . . 15065 2 143 . 1 1 157 157 TRP N N 15 2.748 0.0710 . . . . . 15065 2 144 . 1 1 158 158 SER N N 15 2.622 0.0560 . . . . . 15065 2 145 . 1 1 159 159 LYS N N 15 2.241 0.0830 . . . . . 15065 2 146 . 1 1 160 160 VAL N N 15 3.497 0.0900 . . . . . 15065 2 147 . 1 1 161 161 VAL N N 15 2.512 0.377 . . . . . 15065 2 148 . 1 1 163 163 ALA N N 15 5.350 2.59 . . . . . 15065 2 149 . 1 1 167 167 VAL N N 15 2.758 0.105 . . . . . 15065 2 150 . 1 1 169 169 ALA N N 15 2.418 0.0810 . . . . . 15065 2 151 . 1 1 170 170 ILE N N 15 3.025 0.140 . . . . . 15065 2 152 . 1 1 171 171 GLY N N 15 2.588 0.130 . . . . . 15065 2 153 . 1 1 172 172 THR N N 15 2.400 0.0840 . . . . . 15065 2 154 . 1 1 173 173 GLY N N 15 2.448 0.103 . . . . . 15065 2 155 . 1 1 174 174 LYS N N 15 2.945 0.0670 . . . . . 15065 2 156 . 1 1 175 175 THR N N 15 2.307 0.0620 . . . . . 15065 2 157 . 1 1 176 176 ALA N N 15 2.973 0.0900 . . . . . 15065 2 158 . 1 1 177 177 THR N N 15 2.925 0.0580 . . . . . 15065 2 159 . 1 1 179 179 GLN N N 15 2.895 0.0720 . . . . . 15065 2 160 . 1 1 181 181 ALA N N 15 2.743 0.0780 . . . . . 15065 2 161 . 1 1 182 182 GLN N N 15 3.116 0.0900 . . . . . 15065 2 162 . 1 1 183 183 GLU N N 15 2.703 0.0720 . . . . . 15065 2 163 . 1 1 184 184 VAL N N 15 2.789 0.0820 . . . . . 15065 2 164 . 1 1 185 185 HIS N N 15 2.752 0.118 . . . . . 15065 2 165 . 1 1 186 186 GLU N N 15 2.775 0.128 . . . . . 15065 2 166 . 1 1 187 187 LYS N N 15 2.527 0.0650 . . . . . 15065 2 167 . 1 1 188 188 LEU N N 15 3.027 0.206 . . . . . 15065 2 168 . 1 1 190 190 GLY N N 15 2.939 0.0620 . . . . . 15065 2 169 . 1 1 191 191 TRP N N 15 2.783 0.0940 . . . . . 15065 2 170 . 1 1 193 193 LYS N N 15 2.887 0.149 . . . . . 15065 2 171 . 1 1 194 194 SER N N 15 2.559 0.0810 . . . . . 15065 2 172 . 1 1 195 195 HIS N N 15 2.679 0.0700 . . . . . 15065 2 173 . 1 1 196 196 VAL N N 15 3.105 0.122 . . . . . 15065 2 174 . 1 1 197 197 SER N N 15 2.977 0.0990 . . . . . 15065 2 175 . 1 1 198 198 ASP N N 15 2.729 0.132 . . . . . 15065 2 176 . 1 1 199 199 ALA N N 15 2.844 0.110 . . . . . 15065 2 177 . 1 1 200 200 VAL N N 15 2.982 0.0740 . . . . . 15065 2 178 . 1 1 201 201 ALA N N 15 2.693 0.0860 . . . . . 15065 2 179 . 1 1 202 202 GLN N N 15 2.838 0.0830 . . . . . 15065 2 180 . 1 1 203 203 SER N N 15 2.713 0.123 . . . . . 15065 2 181 . 1 1 204 204 THR N N 15 2.723 0.0840 . . . . . 15065 2 182 . 1 1 205 205 ARG N N 15 3.335 0.0540 . . . . . 15065 2 183 . 1 1 206 206 ILE N N 15 7.099 4.90 . . . . . 15065 2 184 . 1 1 212 212 VAL N N 15 2.876 0.0900 . . . . . 15065 2 185 . 1 1 213 213 THR N N 15 3.393 0.157 . . . . . 15065 2 186 . 1 1 214 214 GLY N N 15 2.940 0.138 . . . . . 15065 2 187 . 1 1 215 215 GLY N N 15 3.196 0.119 . . . . . 15065 2 188 . 1 1 216 216 ASN N N 15 3.384 0.163 . . . . . 15065 2 189 . 1 1 217 217 CYS N N 15 2.912 0.111 . . . . . 15065 2 190 . 1 1 218 218 LYS N N 15 2.778 0.0770 . . . . . 15065 2 191 . 1 1 220 220 LEU N N 15 2.568 0.0810 . . . . . 15065 2 192 . 1 1 221 221 ALA N N 15 2.696 0.0890 . . . . . 15065 2 193 . 1 1 222 222 SER N N 15 2.798 0.109 . . . . . 15065 2 194 . 1 1 223 223 GLN N N 15 3.068 0.100 . . . . . 15065 2 195 . 1 1 224 224 HIS N N 15 2.925 0.0890 . . . . . 15065 2 196 . 1 1 225 225 ASP N N 15 3.152 0.121 . . . . . 15065 2 197 . 1 1 226 226 VAL N N 15 2.977 0.0990 . . . . . 15065 2 198 . 1 1 227 227 ASP N N 15 2.928 0.106 . . . . . 15065 2 199 . 1 1 228 228 GLY N N 15 1.876 0.316 . . . . . 15065 2 200 . 1 1 229 229 PHE N N 15 3.636 0.734 . . . . . 15065 2 201 . 1 1 230 230 LEU N N 15 4.094 0.790 . . . . . 15065 2 202 . 1 1 231 231 VAL N N 15 2.796 0.470 . . . . . 15065 2 203 . 1 1 233 233 GLY N N 15 2.875 0.144 . . . . . 15065 2 204 . 1 1 234 234 ALA N N 15 2.544 0.0760 . . . . . 15065 2 205 . 1 1 235 235 SER N N 15 2.574 0.0990 . . . . . 15065 2 206 . 1 1 236 236 LEU N N 15 2.602 0.108 . . . . . 15065 2 207 . 1 1 237 237 LYS N N 15 2.662 0.109 . . . . . 15065 2 208 . 1 1 239 239 GLU N N 15 2.906 0.0920 . . . . . 15065 2 209 . 1 1 240 240 PHE N N 15 2.473 0.103 . . . . . 15065 2 210 . 1 1 241 241 VAL N N 15 2.688 0.132 . . . . . 15065 2 211 . 1 1 242 242 ASP N N 15 2.995 0.0900 . . . . . 15065 2 212 . 1 1 243 243 ILE N N 15 3.319 0.190 . . . . . 15065 2 213 . 1 1 245 245 ASN N N 15 3.057 0.103 . . . . . 15065 2 214 . 1 1 246 246 ALA N N 15 2.903 0.0680 . . . . . 15065 2 215 . 1 1 247 247 LYS N N 15 2.952 0.0980 . . . . . 15065 2 216 . 1 1 248 248 HIS N N 15 1.440 0.0240 . . . . . 15065 2 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 15065 _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 9 '1H-15N T2' . . . 15065 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 0.03923 0 . . . . . . . 15065 1 2 . 1 1 5 5 LYS N N 15 0.02692 0 . . . . . . . 15065 1 3 . 1 1 6 6 PHE N N 15 0.02300 0 . . . . . . . 15065 1 4 . 1 1 7 7 PHE N N 15 0.02458 0.000020 . . . . . . . 15065 1 5 . 1 1 8 8 VAL N N 15 0.02554 0.000040 . . . . . . . 15065 1 6 . 1 1 9 9 GLY N N 15 0.02771 0.000060 . . . . . . . 15065 1 7 . 1 1 10 10 GLY N N 15 0.02599 0.000030 . . . . . . . 15065 1 8 . 1 1 11 11 ASN N N 15 0.02573 0 . . . . . . . 15065 1 9 . 1 1 12 12 TRP N N 15 0.02748 0.000040 . . . . . . . 15065 1 10 . 1 1 13 13 LYS N N 15 0.02373 0 . . . . . . . 15065 1 11 . 1 1 14 14 MET N N 15 0.02468 0 . . . . . . . 15065 1 12 . 1 1 15 15 ASN N N 15 0.02557 0 . . . . . . . 15065 1 13 . 1 1 16 16 GLY N N 15 0.02896 0 . . . . . . . 15065 1 14 . 1 1 17 17 ASP N N 15 0.02399 0 . . . . . . . 15065 1 15 . 1 1 18 18 LYS N N 15 0.02106 0 . . . . . . . 15065 1 16 . 1 1 19 19 LYS N N 15 0.02385 0 . . . . . . . 15065 1 17 . 1 1 20 20 SER N N 15 0.02143 0 . . . . . . . 15065 1 18 . 1 1 21 21 LEU N N 15 0.01925 0.000010 . . . . . . . 15065 1 19 . 1 1 22 22 GLY N N 15 0.02034 0 . . . . . . . 15065 1 20 . 1 1 23 23 GLU N N 15 0.02263 0 . . . . . . . 15065 1 21 . 1 1 24 24 LEU N N 15 0.02015 0 . . . . . . . 15065 1 22 . 1 1 25 25 ILE N N 15 0.02571 0 . . . . . . . 15065 1 23 . 1 1 26 26 HIS N N 15 0.02154 0 . . . . . . . 15065 1 24 . 1 1 27 27 THR N N 15 0.02153 0 . . . . . . . 15065 1 25 . 1 1 28 28 LEU N N 15 0.02149 0.000010 . . . . . . . 15065 1 26 . 1 1 29 29 ASN N N 15 0.02112 0 . . . . . . . 15065 1 27 . 1 1 30 30 GLY N N 15 0.02421 0 . . . . . . . 15065 1 28 . 1 1 31 31 ALA N N 15 0.02279 0 . . . . . . . 15065 1 29 . 1 1 32 32 LYS N N 15 0.02925 0 . . . . . . . 15065 1 30 . 1 1 33 33 LEU N N 15 0.03184 0 . . . . . . . 15065 1 31 . 1 1 34 34 SER N N 15 0.02890 0 . . . . . . . 15065 1 32 . 1 1 35 35 ALA N N 15 0.02494 0 . . . . . . . 15065 1 33 . 1 1 36 36 ASP N N 15 0.02769 0 . . . . . . . 15065 1 34 . 1 1 37 37 THR N N 15 0.02909 0 . . . . . . . 15065 1 35 . 1 1 38 38 GLU N N 15 0.02446 0 . . . . . . . 15065 1 36 . 1 1 39 39 VAL N N 15 0.02885 0 . . . . . . . 15065 1 37 . 1 1 40 40 VAL N N 15 0.02286 0.000060 . . . . . . . 15065 1 38 . 1 1 41 41 CYS N N 15 0.03602 0.00014 . . . . . . . 15065 1 39 . 1 1 42 42 GLY N N 15 0.02942 0.000070 . . . . . . . 15065 1 40 . 1 1 43 43 ALA N N 15 0.02546 0.000040 . . . . . . . 15065 1 41 . 1 1 46 46 ILE N N 15 0.02514 0 . . . . . . . 15065 1 42 . 1 1 47 47 TYR N N 15 0.02383 0.000090 . . . . . . . 15065 1 43 . 1 1 48 48 LEU N N 15 0.02179 0.000020 . . . . . . . 15065 1 44 . 1 1 49 49 ASP N N 15 0.02200 0 . . . . . . . 15065 1 45 . 1 1 50 50 PHE N N 15 0.02555 0 . . . . . . . 15065 1 46 . 1 1 51 51 ALA N N 15 0.02302 0.000090 . . . . . . . 15065 1 47 . 1 1 52 52 ARG N N 15 0.02677 0.000070 . . . . . . . 15065 1 48 . 1 1 53 53 GLN N N 15 0.02296 0 . . . . . . . 15065 1 49 . 1 1 54 54 LYS N N 15 0.02434 0 . . . . . . . 15065 1 50 . 1 1 55 55 LEU N N 15 0.02589 0.000020 . . . . . . . 15065 1 51 . 1 1 56 56 ASP N N 15 0.02549 0 . . . . . . . 15065 1 52 . 1 1 57 57 ALA N N 15 0.02829 0 . . . . . . . 15065 1 53 . 1 1 58 58 LYS N N 15 0.02548 0 . . . . . . . 15065 1 54 . 1 1 59 59 ILE N N 15 0.02369 0 . . . . . . . 15065 1 55 . 1 1 60 60 GLY N N 15 0.02240 0 . . . . . . . 15065 1 56 . 1 1 61 61 VAL N N 15 0.02579 0 . . . . . . . 15065 1 57 . 1 1 62 62 ALA N N 15 0.03518 0.000040 . . . . . . . 15065 1 58 . 1 1 63 63 ALA N N 15 0.02732 0.000020 . . . . . . . 15065 1 59 . 1 1 64 64 GLN N N 15 0.02338 0.000010 . . . . . . . 15065 1 60 . 1 1 65 65 ASN N N 15 0.02553 0 . . . . . . . 15065 1 61 . 1 1 66 66 CYS N N 15 0.02688 0 . . . . . . . 15065 1 62 . 1 1 67 67 TYR N N 15 0.02478 0 . . . . . . . 15065 1 63 . 1 1 71 71 LYS N N 15 0.02564 0 . . . . . . . 15065 1 64 . 1 1 72 72 GLY N N 15 0.02551 0 . . . . . . . 15065 1 65 . 1 1 73 73 ALA N N 15 0.02743 0 . . . . . . . 15065 1 66 . 1 1 74 74 PHE N N 15 0.02632 0 . . . . . . . 15065 1 67 . 1 1 75 75 THR N N 15 0.02257 0.000010 . . . . . . . 15065 1 68 . 1 1 76 76 GLY N N 15 0.02476 0 . . . . . . . 15065 1 69 . 1 1 77 77 GLU N N 15 0.02154 0 . . . . . . . 15065 1 70 . 1 1 78 78 ILE N N 15 0.02507 0 . . . . . . . 15065 1 71 . 1 1 79 79 SER N N 15 0.02141 0.000010 . . . . . . . 15065 1 72 . 1 1 81 81 ALA N N 15 0.02517 0 . . . . . . . 15065 1 73 . 1 1 82 82 MET N N 15 0.02571 0 . . . . . . . 15065 1 74 . 1 1 84 84 LYS N N 15 0.02658 0.000050 . . . . . . . 15065 1 75 . 1 1 85 85 ASP N N 15 0.02371 0 . . . . . . . 15065 1 76 . 1 1 87 87 GLY N N 15 0.02548 0 . . . . . . . 15065 1 77 . 1 1 88 88 ALA N N 15 0.02077 0 . . . . . . . 15065 1 78 . 1 1 89 89 ALA N N 15 0.02626 0 . . . . . . . 15065 1 79 . 1 1 90 90 TRP N N 15 0.02566 0 . . . . . . . 15065 1 80 . 1 1 91 91 VAL N N 15 0.02684 0.00092 . . . . . . . 15065 1 81 . 1 1 92 92 ILE N N 15 0.02177 0.00040 . . . . . . . 15065 1 82 . 1 1 93 93 LEU N N 15 0.02053 0 . . . . . . . 15065 1 83 . 1 1 94 94 GLY N N 15 0.02202 0.000010 . . . . . . . 15065 1 84 . 1 1 95 95 HIS N N 15 0.02328 0 . . . . . . . 15065 1 85 . 1 1 97 97 GLU N N 15 0.02370 0.000010 . . . . . . . 15065 1 86 . 1 1 98 98 ARG N N 15 0.02050 0 . . . . . . . 15065 1 87 . 1 1 99 99 ARG N N 15 0.02374 0.000040 . . . . . . . 15065 1 88 . 1 1 100 100 HIS N N 15 0.02481 0 . . . . . . . 15065 1 89 . 1 1 101 101 VAL N N 15 0.02517 0.000010 . . . . . . . 15065 1 90 . 1 1 102 102 PHE N N 15 0.02356 0.000010 . . . . . . . 15065 1 91 . 1 1 103 103 GLY N N 15 0.02581 0 . . . . . . . 15065 1 92 . 1 1 104 104 GLU N N 15 0.02421 0 . . . . . . . 15065 1 93 . 1 1 105 105 SER N N 15 0.02218 0 . . . . . . . 15065 1 94 . 1 1 106 106 ASP N N 15 0.02555 0 . . . . . . . 15065 1 95 . 1 1 107 107 GLU N N 15 0.02711 0 . . . . . . . 15065 1 96 . 1 1 108 108 LEU N N 15 0.02544 0 . . . . . . . 15065 1 97 . 1 1 109 109 ILE N N 15 0.02257 0.000030 . . . . . . . 15065 1 98 . 1 1 110 110 GLY N N 15 0.02440 0 . . . . . . . 15065 1 99 . 1 1 111 111 GLN N N 15 0.02400 0 . . . . . . . 15065 1 100 . 1 1 112 112 LYS N N 15 0.02545 0.00021 . . . . . . . 15065 1 101 . 1 1 113 113 VAL N N 15 0.02079 0.00035 . . . . . . . 15065 1 102 . 1 1 114 114 ALA N N 15 0.02229 0.00010 . . . . . . . 15065 1 103 . 1 1 115 115 HIS N N 15 0.02464 0 . . . . . . . 15065 1 104 . 1 1 116 116 ALA N N 15 0.02291 0 . . . . . . . 15065 1 105 . 1 1 117 117 LEU N N 15 0.05307 0.00013 . . . . . . . 15065 1 106 . 1 1 118 118 ALA N N 15 0.02592 0 . . . . . . . 15065 1 107 . 1 1 119 119 GLU N N 15 0.02759 0 . . . . . . . 15065 1 108 . 1 1 120 120 GLY N N 15 0.02629 0 . . . . . . . 15065 1 109 . 1 1 121 121 LEU N N 15 0.02390 0 . . . . . . . 15065 1 110 . 1 1 122 122 GLY N N 15 0.02611 0.00011 . . . . . . . 15065 1 111 . 1 1 123 123 VAL N N 15 0.02058 0.00023 . . . . . . . 15065 1 112 . 1 1 124 124 ILE N N 15 0.04917 0.00099 . . . . . . . 15065 1 113 . 1 1 125 125 ALA N N 15 0.01876 0.00041 . . . . . . . 15065 1 114 . 1 1 127 127 ILE N N 15 0.01911 0.00031 . . . . . . . 15065 1 115 . 1 1 128 128 GLY N N 15 0.02714 0 . . . . . . . 15065 1 116 . 1 1 129 129 GLU N N 15 0.02128 0 . . . . . . . 15065 1 117 . 1 1 130 130 LYS N N 15 0.02630 0 . . . . . . . 15065 1 118 . 1 1 131 131 LEU N N 15 0.02325 0 . . . . . . . 15065 1 119 . 1 1 132 132 ASP N N 15 0.02282 0 . . . . . . . 15065 1 120 . 1 1 133 133 GLU N N 15 0.02519 0 . . . . . . . 15065 1 121 . 1 1 135 135 GLU N N 15 0.02125 0 . . . . . . . 15065 1 122 . 1 1 136 136 ALA N N 15 0.02359 0 . . . . . . . 15065 1 123 . 1 1 137 137 GLY N N 15 0.02599 0 . . . . . . . 15065 1 124 . 1 1 138 138 ILE N N 15 0.02520 0 . . . . . . . 15065 1 125 . 1 1 139 139 THR N N 15 0.02441 0 . . . . . . . 15065 1 126 . 1 1 140 140 GLU N N 15 0.02441 0 . . . . . . . 15065 1 127 . 1 1 141 141 LYS N N 15 0.02592 0 . . . . . . . 15065 1 128 . 1 1 142 142 VAL N N 15 0.02371 0 . . . . . . . 15065 1 129 . 1 1 143 143 VAL N N 15 0.02337 0 . . . . . . . 15065 1 130 . 1 1 144 144 PHE N N 15 0.02513 0 . . . . . . . 15065 1 131 . 1 1 145 145 GLU N N 15 0.02482 0 . . . . . . . 15065 1 132 . 1 1 146 146 GLN N N 15 0.02398 0 . . . . . . . 15065 1 133 . 1 1 147 147 THR N N 15 0.02460 0.000010 . . . . . . . 15065 1 134 . 1 1 148 148 LYS N N 15 0.02574 0 . . . . . . . 15065 1 135 . 1 1 149 149 ALA N N 15 0.02507 0 . . . . . . . 15065 1 136 . 1 1 150 150 ILE N N 15 0.02680 0.00016 . . . . . . . 15065 1 137 . 1 1 151 151 ALA N N 15 0.02480 0.00028 . . . . . . . 15065 1 138 . 1 1 152 152 ASP N N 15 0.02604 0 . . . . . . . 15065 1 139 . 1 1 153 153 ASN N N 15 0.02623 0 . . . . . . . 15065 1 140 . 1 1 154 154 VAL N N 15 0.02509 0 . . . . . . . 15065 1 141 . 1 1 155 155 LYS N N 15 0.02639 0 . . . . . . . 15065 1 142 . 1 1 156 156 ASP N N 15 0.02962 0 . . . . . . . 15065 1 143 . 1 1 157 157 TRP N N 15 0.02865 0 . . . . . . . 15065 1 144 . 1 1 158 158 SER N N 15 0.02563 0 . . . . . . . 15065 1 145 . 1 1 159 159 LYS N N 15 0.02746 0 . . . . . . . 15065 1 146 . 1 1 160 160 VAL N N 15 0.02429 0 . . . . . . . 15065 1 147 . 1 1 161 161 VAL N N 15 0.02403 0.00058 . . . . . . . 15065 1 148 . 1 1 163 163 ALA N N 15 0.02421 0.00038 . . . . . . . 15065 1 149 . 1 1 167 167 VAL N N 15 0.02504 0 . . . . . . . 15065 1 150 . 1 1 169 169 ALA N N 15 0.02438 0 . . . . . . . 15065 1 151 . 1 1 170 170 ILE N N 15 0.02404 0 . . . . . . . 15065 1 152 . 1 1 171 171 GLY N N 15 0.02498 0 . . . . . . . 15065 1 153 . 1 1 172 172 THR N N 15 0.02547 0.000010 . . . . . . . 15065 1 154 . 1 1 173 173 GLY N N 15 0.02652 0.000010 . . . . . . . 15065 1 155 . 1 1 174 174 LYS N N 15 0.02598 0 . . . . . . . 15065 1 156 . 1 1 175 175 THR N N 15 0.03373 0 . . . . . . . 15065 1 157 . 1 1 176 176 ALA N N 15 0.02289 0 . . . . . . . 15065 1 158 . 1 1 177 177 THR N N 15 0.02525 0 . . . . . . . 15065 1 159 . 1 1 179 179 GLN N N 15 0.02836 0 . . . . . . . 15065 1 160 . 1 1 181 181 ALA N N 15 0.02498 0 . . . . . . . 15065 1 161 . 1 1 182 182 GLN N N 15 0.02563 0 . . . . . . . 15065 1 162 . 1 1 183 183 GLU N N 15 0.02609 0 . . . . . . . 15065 1 163 . 1 1 184 184 VAL N N 15 0.02476 0 . . . . . . . 15065 1 164 . 1 1 185 185 HIS N N 15 0.02453 0 . . . . . . . 15065 1 165 . 1 1 186 186 GLU N N 15 0.02351 0.000010 . . . . . . . 15065 1 166 . 1 1 187 187 LYS N N 15 0.02562 0 . . . . . . . 15065 1 167 . 1 1 188 188 LEU N N 15 0.02368 0.00020 . . . . . . . 15065 1 168 . 1 1 190 190 GLY N N 15 0.02599 0 . . . . . . . 15065 1 169 . 1 1 191 191 TRP N N 15 0.02502 0.000010 . . . . . . . 15065 1 170 . 1 1 193 193 LYS N N 15 0.02255 0.000020 . . . . . . . 15065 1 171 . 1 1 194 194 SER N N 15 0.02818 0 . . . . . . . 15065 1 172 . 1 1 195 195 HIS N N 15 0.02745 0 . . . . . . . 15065 1 173 . 1 1 196 196 VAL N N 15 0.02426 0 . . . . . . . 15065 1 174 . 1 1 197 197 SER N N 15 0.02922 0 . . . . . . . 15065 1 175 . 1 1 198 198 ASP N N 15 0.02376 0.000010 . . . . . . . 15065 1 176 . 1 1 199 199 ALA N N 15 0.02945 0 . . . . . . . 15065 1 177 . 1 1 200 200 VAL N N 15 0.02579 0 . . . . . . . 15065 1 178 . 1 1 201 201 ALA N N 15 0.02398 0 . . . . . . . 15065 1 179 . 1 1 202 202 GLN N N 15 0.02704 0 . . . . . . . 15065 1 180 . 1 1 203 203 SER N N 15 0.02680 0.000010 . . . . . . . 15065 1 181 . 1 1 204 204 THR N N 15 0.02146 0 . . . . . . . 15065 1 182 . 1 1 205 205 ARG N N 15 0.02314 0 . . . . . . . 15065 1 183 . 1 1 206 206 ILE N N 15 0.01615 0.00084 . . . . . . . 15065 1 184 . 1 1 212 212 VAL N N 15 0.02438 0 . . . . . . . 15065 1 185 . 1 1 213 213 THR N N 15 0.02170 0 . . . . . . . 15065 1 186 . 1 1 214 214 GLY N N 15 0.02301 0 . . . . . . . 15065 1 187 . 1 1 215 215 GLY N N 15 0.01968 0 . . . . . . . 15065 1 188 . 1 1 216 216 ASN N N 15 0.02175 0.000010 . . . . . . . 15065 1 189 . 1 1 217 217 CYS N N 15 0.02371 0.000010 . . . . . . . 15065 1 190 . 1 1 218 218 LYS N N 15 0.02544 0 . . . . . . . 15065 1 191 . 1 1 220 220 LEU N N 15 0.02349 0 . . . . . . . 15065 1 192 . 1 1 221 221 ALA N N 15 0.02508 0 . . . . . . . 15065 1 193 . 1 1 222 222 SER N N 15 0.02644 0 . . . . . . . 15065 1 194 . 1 1 223 223 GLN N N 15 0.02149 0 . . . . . . . 15065 1 195 . 1 1 224 224 HIS N N 15 0.02581 0 . . . . . . . 15065 1 196 . 1 1 225 225 ASP N N 15 0.02834 0 . . . . . . . 15065 1 197 . 1 1 226 226 VAL N N 15 0.02003 0 . . . . . . . 15065 1 198 . 1 1 227 227 ASP N N 15 0.02418 0 . . . . . . . 15065 1 199 . 1 1 228 228 GLY N N 15 0.02214 0.00071 . . . . . . . 15065 1 200 . 1 1 229 229 PHE N N 15 0.02151 0.00039 . . . . . . . 15065 1 201 . 1 1 230 230 LEU N N 15 0.02309 0.00023 . . . . . . . 15065 1 202 . 1 1 231 231 VAL N N 15 0.01838 0.000010 . . . . . . . 15065 1 203 . 1 1 233 233 GLY N N 15 0.02560 0 . . . . . . . 15065 1 204 . 1 1 234 234 ALA N N 15 0.02333 0 . . . . . . . 15065 1 205 . 1 1 235 235 SER N N 15 0.02429 0.000010 . . . . . . . 15065 1 206 . 1 1 236 236 LEU N N 15 0.02531 0 . . . . . . . 15065 1 207 . 1 1 237 237 LYS N N 15 0.02543 0 . . . . . . . 15065 1 208 . 1 1 239 239 GLU N N 15 0.02524 0 . . . . . . . 15065 1 209 . 1 1 240 240 PHE N N 15 0.02034 0 . . . . . . . 15065 1 210 . 1 1 241 241 VAL N N 15 0.02330 0 . . . . . . . 15065 1 211 . 1 1 242 242 ASP N N 15 0.02451 0 . . . . . . . 15065 1 212 . 1 1 243 243 ILE N N 15 0.02323 0.000020 . . . . . . . 15065 1 213 . 1 1 245 245 ASN N N 15 0.02405 0 . . . . . . . 15065 1 214 . 1 1 246 246 ALA N N 15 0.02046 0 . . . . . . . 15065 1 215 . 1 1 247 247 LYS N N 15 0.02490 0 . . . . . . . 15065 1 216 . 1 1 248 248 HIS N N 15 0.03280 0 . . . . . . . 15065 1 stop_ save_ save_15N_T2_800MHz _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode 15N_T2_800MHz _Heteronucl_T2_list.Entry_ID 15065 _Heteronucl_T2_list.ID 2 _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 800 _Heteronucl_T2_list.T2_coherence_type Nz _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 9 '1H-15N T2' . . . 15065 2 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 0.03159 0 . . . . . . . 15065 2 2 . 1 1 5 5 LYS N N 15 0.02134 0 . . . . . . . 15065 2 3 . 1 1 6 6 PHE N N 15 0.01916 0 . . . . . . . 15065 2 4 . 1 1 7 7 PHE N N 15 0.01995 0.0014 . . . . . . . 15065 2 5 . 1 1 8 8 VAL N N 15 0.02569 0.0015 . . . . . . . 15065 2 6 . 1 1 9 9 GLY N N 15 0.01793 0.00088 . . . . . . . 15065 2 7 . 1 1 10 10 GLY N N 15 0.01797 0.00068 . . . . . . . 15065 2 8 . 1 1 11 11 ASN N N 15 0.02065 0 . . . . . . . 15065 2 9 . 1 1 12 12 TRP N N 15 0.02294 0.000030 . . . . . . . 15065 2 10 . 1 1 13 13 LYS N N 15 0.01779 0 . . . . . . . 15065 2 11 . 1 1 14 14 MET N N 15 0.02139 0 . . . . . . . 15065 2 12 . 1 1 15 15 ASN N N 15 0.02090 0 . . . . . . . 15065 2 13 . 1 1 16 16 GLY N N 15 0.02447 0 . . . . . . . 15065 2 14 . 1 1 17 17 ASP N N 15 0.02010 0 . . . . . . . 15065 2 15 . 1 1 18 18 LYS N N 15 0.01680 0 . . . . . . . 15065 2 16 . 1 1 19 19 LYS N N 15 0.01892 0 . . . . . . . 15065 2 17 . 1 1 20 20 SER N N 15 0.01576 0 . . . . . . . 15065 2 18 . 1 1 21 21 LEU N N 15 0.01633 0.000020 . . . . . . . 15065 2 19 . 1 1 22 22 GLY N N 15 0.01664 0 . . . . . . . 15065 2 20 . 1 1 23 23 GLU N N 15 0.01720 0 . . . . . . . 15065 2 21 . 1 1 24 24 LEU N N 15 0.01671 0 . . . . . . . 15065 2 22 . 1 1 25 25 ILE N N 15 0.01900 0 . . . . . . . 15065 2 23 . 1 1 26 26 HIS N N 15 0.01697 0 . . . . . . . 15065 2 24 . 1 1 27 27 THR N N 15 0.01694 0 . . . . . . . 15065 2 25 . 1 1 28 28 LEU N N 15 0.01632 0.000010 . . . . . . . 15065 2 26 . 1 1 29 29 ASN N N 15 0.01671 0 . . . . . . . 15065 2 27 . 1 1 30 30 GLY N N 15 0.01951 0 . . . . . . . 15065 2 28 . 1 1 31 31 ALA N N 15 0.01808 0 . . . . . . . 15065 2 29 . 1 1 32 32 LYS N N 15 0.02421 0 . . . . . . . 15065 2 30 . 1 1 33 33 LEU N N 15 0.02534 0 . . . . . . . 15065 2 31 . 1 1 34 34 SER N N 15 0.02297 0 . . . . . . . 15065 2 32 . 1 1 35 35 ALA N N 15 0.02021 0 . . . . . . . 15065 2 33 . 1 1 36 36 ASP N N 15 0.02354 0 . . . . . . . 15065 2 34 . 1 1 37 37 THR N N 15 0.02293 0 . . . . . . . 15065 2 35 . 1 1 38 38 GLU N N 15 0.01893 0 . . . . . . . 15065 2 36 . 1 1 39 39 VAL N N 15 0.02231 0 . . . . . . . 15065 2 37 . 1 1 40 40 VAL N N 15 0.01977 0.0029 . . . . . . . 15065 2 38 . 1 1 41 41 CYS N N 15 0.01875 0.0015 . . . . . . . 15065 2 39 . 1 1 42 42 GLY N N 15 0.01473 0.0022 . . . . . . . 15065 2 40 . 1 1 43 43 ALA N N 15 0.01918 0.0011 . . . . . . . 15065 2 41 . 1 1 46 46 ILE N N 15 0.01959 0 . . . . . . . 15065 2 42 . 1 1 47 47 TYR N N 15 0.01786 0.00099 . . . . . . . 15065 2 43 . 1 1 48 48 LEU N N 15 0.01803 0.000010 . . . . . . . 15065 2 44 . 1 1 49 49 ASP N N 15 0.01783 0 . . . . . . . 15065 2 45 . 1 1 50 50 PHE N N 15 0.01953 0 . . . . . . . 15065 2 46 . 1 1 51 51 ALA N N 15 0.01562 0.00047 . . . . . . . 15065 2 47 . 1 1 52 52 ARG N N 15 0.01771 0.00090 . . . . . . . 15065 2 48 . 1 1 53 53 GLN N N 15 0.01756 0 . . . . . . . 15065 2 49 . 1 1 54 54 LYS N N 15 0.02023 0 . . . . . . . 15065 2 50 . 1 1 55 55 LEU N N 15 0.01739 0.000020 . . . . . . . 15065 2 51 . 1 1 56 56 ASP N N 15 0.02123 0 . . . . . . . 15065 2 52 . 1 1 57 57 ALA N N 15 0.02183 0 . . . . . . . 15065 2 53 . 1 1 58 58 LYS N N 15 0.02220 0 . . . . . . . 15065 2 54 . 1 1 59 59 ILE N N 15 0.02019 0 . . . . . . . 15065 2 55 . 1 1 60 60 GLY N N 15 0.01950 0 . . . . . . . 15065 2 56 . 1 1 61 61 VAL N N 15 0.02114 0 . . . . . . . 15065 2 57 . 1 1 62 62 ALA N N 15 0.02277 0.0013 . . . . . . . 15065 2 58 . 1 1 63 63 ALA N N 15 0.01860 0.00037 . . . . . . . 15065 2 59 . 1 1 64 64 GLN N N 15 0.01947 0.000010 . . . . . . . 15065 2 60 . 1 1 65 65 ASN N N 15 0.02048 0 . . . . . . . 15065 2 61 . 1 1 66 66 CYS N N 15 0.01953 0 . . . . . . . 15065 2 62 . 1 1 67 67 TYR N N 15 0.01967 0 . . . . . . . 15065 2 63 . 1 1 71 71 LYS N N 15 0.01859 0 . . . . . . . 15065 2 64 . 1 1 72 72 GLY N N 15 0.02053 0 . . . . . . . 15065 2 65 . 1 1 73 73 ALA N N 15 0.02153 0 . . . . . . . 15065 2 66 . 1 1 74 74 PHE N N 15 0.02218 0 . . . . . . . 15065 2 67 . 1 1 75 75 THR N N 15 0.01903 0.000020 . . . . . . . 15065 2 68 . 1 1 76 76 GLY N N 15 0.01893 0 . . . . . . . 15065 2 69 . 1 1 77 77 GLU N N 15 0.01601 0 . . . . . . . 15065 2 70 . 1 1 78 78 ILE N N 15 0.01998 0 . . . . . . . 15065 2 71 . 1 1 79 79 SER N N 15 0.01547 0 . . . . . . . 15065 2 72 . 1 1 81 81 ALA N N 15 0.01985 0.000010 . . . . . . . 15065 2 73 . 1 1 82 82 MET N N 15 0.02048 0 . . . . . . . 15065 2 74 . 1 1 84 84 LYS N N 15 0.01905 0.00046 . . . . . . . 15065 2 75 . 1 1 85 85 ASP N N 15 0.01908 0 . . . . . . . 15065 2 76 . 1 1 87 87 GLY N N 15 0.01911 0 . . . . . . . 15065 2 77 . 1 1 88 88 ALA N N 15 0.01649 0 . . . . . . . 15065 2 78 . 1 1 89 89 ALA N N 15 0.02180 0 . . . . . . . 15065 2 79 . 1 1 90 90 TRP N N 15 0.01862 0.00031 . . . . . . . 15065 2 80 . 1 1 91 91 VAL N N 15 0.01754 0.0034 . . . . . . . 15065 2 81 . 1 1 92 92 ILE N N 15 0.02176 0.016 . . . . . . . 15065 2 82 . 1 1 93 93 LEU N N 15 0.01599 0 . . . . . . . 15065 2 83 . 1 1 94 94 GLY N N 15 0.01535 0.000010 . . . . . . . 15065 2 84 . 1 1 95 95 HIS N N 15 0.01810 0 . . . . . . . 15065 2 85 . 1 1 97 97 GLU N N 15 0.01811 0.000010 . . . . . . . 15065 2 86 . 1 1 98 98 ARG N N 15 0.01618 0 . . . . . . . 15065 2 87 . 1 1 99 99 ARG N N 15 0.01888 0.00061 . . . . . . . 15065 2 88 . 1 1 100 100 HIS N N 15 0.01904 0 . . . . . . . 15065 2 89 . 1 1 101 101 VAL N N 15 0.01975 0.000010 . . . . . . . 15065 2 90 . 1 1 102 102 PHE N N 15 0.01823 0.000010 . . . . . . . 15065 2 91 . 1 1 103 103 GLY N N 15 0.01908 0 . . . . . . . 15065 2 92 . 1 1 104 104 GLU N N 15 0.01887 0 . . . . . . . 15065 2 93 . 1 1 105 105 SER N N 15 0.01776 0 . . . . . . . 15065 2 94 . 1 1 106 106 ASP N N 15 0.01953 0 . . . . . . . 15065 2 95 . 1 1 107 107 GLU N N 15 0.02096 0 . . . . . . . 15065 2 96 . 1 1 108 108 LEU N N 15 0.02045 0 . . . . . . . 15065 2 97 . 1 1 109 109 ILE N N 15 0.01900 0.000030 . . . . . . . 15065 2 98 . 1 1 110 110 GLY N N 15 0.01770 0 . . . . . . . 15065 2 99 . 1 1 111 111 GLN N N 15 0.01934 0 . . . . . . . 15065 2 100 . 1 1 112 112 LYS N N 15 0.01445 0.0012 . . . . . . . 15065 2 101 . 1 1 114 114 ALA N N 15 0.01687 0.0034 . . . . . . . 15065 2 102 . 1 1 115 115 HIS N N 15 0.01930 0 . . . . . . . 15065 2 103 . 1 1 116 116 ALA N N 15 0.01922 0 . . . . . . . 15065 2 104 . 1 1 117 117 LEU N N 15 0.07599 0.0042 . . . . . . . 15065 2 105 . 1 1 118 118 ALA N N 15 0.02037 0 . . . . . . . 15065 2 106 . 1 1 119 119 GLU N N 15 0.02219 0 . . . . . . . 15065 2 107 . 1 1 120 120 GLY N N 15 0.02085 0 . . . . . . . 15065 2 108 . 1 1 121 121 LEU N N 15 0.01862 0 . . . . . . . 15065 2 109 . 1 1 122 122 GLY N N 15 0.01684 0.0011 . . . . . . . 15065 2 110 . 1 1 123 123 VAL N N 15 0.01547 0.00052 . . . . . . . 15065 2 111 . 1 1 124 124 ILE N N 15 0.01583 0.0031 . . . . . . . 15065 2 112 . 1 1 125 125 ALA N N 15 0.01506 0.0025 . . . . . . . 15065 2 113 . 1 1 127 127 ILE N N 15 0.02809 0.0049 . . . . . . . 15065 2 114 . 1 1 128 128 GLY N N 15 0.02031 0 . . . . . . . 15065 2 115 . 1 1 129 129 GLU N N 15 0.01650 0 . . . . . . . 15065 2 116 . 1 1 130 130 LYS N N 15 0.02064 0 . . . . . . . 15065 2 117 . 1 1 131 131 LEU N N 15 0.01774 0 . . . . . . . 15065 2 118 . 1 1 132 132 ASP N N 15 0.01794 0 . . . . . . . 15065 2 119 . 1 1 133 133 GLU N N 15 0.02075 0 . . . . . . . 15065 2 120 . 1 1 135 135 GLU N N 15 0.01801 0 . . . . . . . 15065 2 121 . 1 1 136 136 ALA N N 15 0.01914 0 . . . . . . . 15065 2 122 . 1 1 137 137 GLY N N 15 0.01805 0 . . . . . . . 15065 2 123 . 1 1 138 138 ILE N N 15 0.01958 0 . . . . . . . 15065 2 124 . 1 1 139 139 THR N N 15 0.01852 0 . . . . . . . 15065 2 125 . 1 1 140 140 GLU N N 15 0.01887 0 . . . . . . . 15065 2 126 . 1 1 141 141 LYS N N 15 0.02114 0 . . . . . . . 15065 2 127 . 1 1 142 142 VAL N N 15 0.01835 0 . . . . . . . 15065 2 128 . 1 1 143 143 VAL N N 15 0.01641 0 . . . . . . . 15065 2 129 . 1 1 144 144 PHE N N 15 0.01968 0 . . . . . . . 15065 2 130 . 1 1 145 145 GLU N N 15 0.01976 0 . . . . . . . 15065 2 131 . 1 1 146 146 GLN N N 15 0.01977 0 . . . . . . . 15065 2 132 . 1 1 147 147 THR N N 15 0.02009 0.00048 . . . . . . . 15065 2 133 . 1 1 148 148 LYS N N 15 0.02051 0 . . . . . . . 15065 2 134 . 1 1 149 149 ALA N N 15 0.01911 0 . . . . . . . 15065 2 135 . 1 1 150 150 ILE N N 15 0.01805 0.00083 . . . . . . . 15065 2 136 . 1 1 151 151 ALA N N 15 0.01713 0.00040 . . . . . . . 15065 2 137 . 1 1 152 152 ASP N N 15 0.02025 0 . . . . . . . 15065 2 138 . 1 1 153 153 ASN N N 15 0.01992 0.00029 . . . . . . . 15065 2 139 . 1 1 154 154 VAL N N 15 0.02014 0 . . . . . . . 15065 2 140 . 1 1 155 155 LYS N N 15 0.02147 0 . . . . . . . 15065 2 141 . 1 1 156 156 ASP N N 15 0.02445 0 . . . . . . . 15065 2 142 . 1 1 157 157 TRP N N 15 0.02347 0 . . . . . . . 15065 2 143 . 1 1 158 158 SER N N 15 0.02034 0.00028 . . . . . . . 15065 2 144 . 1 1 159 159 LYS N N 15 0.02187 0 . . . . . . . 15065 2 145 . 1 1 160 160 VAL N N 15 0.01891 0 . . . . . . . 15065 2 146 . 1 1 161 161 VAL N N 15 0.01069 0.0023 . . . . . . . 15065 2 147 . 1 1 163 163 ALA N N 15 0.01705 0.0021 . . . . . . . 15065 2 148 . 1 1 167 167 VAL N N 15 0.02002 0 . . . . . . . 15065 2 149 . 1 1 169 169 ALA N N 15 0.01901 0 . . . . . . . 15065 2 150 . 1 1 170 170 ILE N N 15 0.02091 0 . . . . . . . 15065 2 151 . 1 1 171 171 GLY N N 15 0.01883 0 . . . . . . . 15065 2 152 . 1 1 172 172 THR N N 15 0.01932 0 . . . . . . . 15065 2 153 . 1 1 173 173 GLY N N 15 0.01663 0.000010 . . . . . . . 15065 2 154 . 1 1 174 174 LYS N N 15 0.02090 0 . . . . . . . 15065 2 155 . 1 1 175 175 THR N N 15 0.02601 0 . . . . . . . 15065 2 156 . 1 1 176 176 ALA N N 15 0.01791 0 . . . . . . . 15065 2 157 . 1 1 177 177 THR N N 15 0.01886 0 . . . . . . . 15065 2 158 . 1 1 179 179 GLN N N 15 0.02148 0 . . . . . . . 15065 2 159 . 1 1 181 181 ALA N N 15 0.01924 0 . . . . . . . 15065 2 160 . 1 1 182 182 GLN N N 15 0.02098 0 . . . . . . . 15065 2 161 . 1 1 183 183 GLU N N 15 0.02105 0 . . . . . . . 15065 2 162 . 1 1 184 184 VAL N N 15 0.02005 0 . . . . . . . 15065 2 163 . 1 1 185 185 HIS N N 15 0.01928 0 . . . . . . . 15065 2 164 . 1 1 186 186 GLU N N 15 0.01801 0.00038 . . . . . . . 15065 2 165 . 1 1 187 187 LYS N N 15 0.02053 0 . . . . . . . 15065 2 166 . 1 1 188 188 LEU N N 15 0.01990 0.0016 . . . . . . . 15065 2 167 . 1 1 190 190 GLY N N 15 0.01929 0 . . . . . . . 15065 2 168 . 1 1 191 191 TRP N N 15 0.01917 0.000010 . . . . . . . 15065 2 169 . 1 1 193 193 LYS N N 15 0.02085 0.000020 . . . . . . . 15065 2 170 . 1 1 194 194 SER N N 15 0.01972 0.00014 . . . . . . . 15065 2 171 . 1 1 195 195 HIS N N 15 0.02044 0 . . . . . . . 15065 2 172 . 1 1 196 196 VAL N N 15 0.01941 0 . . . . . . . 15065 2 173 . 1 1 197 197 SER N N 15 0.02156 0 . . . . . . . 15065 2 174 . 1 1 198 198 ASP N N 15 0.02079 0.00025 . . . . . . . 15065 2 175 . 1 1 199 199 ALA N N 15 0.02140 0 . . . . . . . 15065 2 176 . 1 1 200 200 VAL N N 15 0.02029 0 . . . . . . . 15065 2 177 . 1 1 201 201 ALA N N 15 0.02092 0 . . . . . . . 15065 2 178 . 1 1 202 202 GLN N N 15 0.02088 0 . . . . . . . 15065 2 179 . 1 1 203 203 SER N N 15 0.01876 0.00027 . . . . . . . 15065 2 180 . 1 1 204 204 THR N N 15 0.01822 0.00027 . . . . . . . 15065 2 181 . 1 1 205 205 ARG N N 15 0.01751 0.00040 . . . . . . . 15065 2 182 . 1 1 206 206 ILE N N 15 0.01018 0.0023 . . . . . . . 15065 2 183 . 1 1 212 212 VAL N N 15 0.01983 0 . . . . . . . 15065 2 184 . 1 1 213 213 THR N N 15 0.01717 0 . . . . . . . 15065 2 185 . 1 1 214 214 GLY N N 15 0.01638 0 . . . . . . . 15065 2 186 . 1 1 215 215 GLY N N 15 0.01587 0 . . . . . . . 15065 2 187 . 1 1 216 216 ASN N N 15 0.01744 0.000010 . . . . . . . 15065 2 188 . 1 1 217 217 CYS N N 15 0.01923 0.00050 . . . . . . . 15065 2 189 . 1 1 218 218 LYS N N 15 0.01935 0 . . . . . . . 15065 2 190 . 1 1 220 220 LEU N N 15 0.01969 0 . . . . . . . 15065 2 191 . 1 1 221 221 ALA N N 15 0.02198 0 . . . . . . . 15065 2 192 . 1 1 222 222 SER N N 15 0.01969 0.00034 . . . . . . . 15065 2 193 . 1 1 223 223 GLN N N 15 0.01702 0 . . . . . . . 15065 2 194 . 1 1 224 224 HIS N N 15 0.02051 0 . . . . . . . 15065 2 195 . 1 1 225 225 ASP N N 15 0.02293 0.000010 . . . . . . . 15065 2 196 . 1 1 226 226 VAL N N 15 0.01669 0 . . . . . . . 15065 2 197 . 1 1 227 227 ASP N N 15 0.02043 0 . . . . . . . 15065 2 198 . 1 1 228 228 GLY N N 15 0.01349 0.0040 . . . . . . . 15065 2 199 . 1 1 229 229 PHE N N 15 0.02124 0.0026 . . . . . . . 15065 2 200 . 1 1 230 230 LEU N N 15 0.01909 0.0014 . . . . . . . 15065 2 201 . 1 1 231 231 VAL N N 15 0.03174 0.00024 . . . . . . . 15065 2 202 . 1 1 233 233 GLY N N 15 0.02105 0 . . . . . . . 15065 2 203 . 1 1 234 234 ALA N N 15 0.01793 0.000010 . . . . . . . 15065 2 204 . 1 1 235 235 SER N N 15 0.02140 0.000010 . . . . . . . 15065 2 205 . 1 1 236 236 LEU N N 15 0.01949 0 . . . . . . . 15065 2 206 . 1 1 237 237 LYS N N 15 0.02057 0 . . . . . . . 15065 2 207 . 1 1 239 239 GLU N N 15 0.01915 0 . . . . . . . 15065 2 208 . 1 1 240 240 PHE N N 15 0.01634 0 . . . . . . . 15065 2 209 . 1 1 241 241 VAL N N 15 0.01761 0 . . . . . . . 15065 2 210 . 1 1 242 242 ASP N N 15 0.01798 0 . . . . . . . 15065 2 211 . 1 1 243 243 ILE N N 15 0.01977 0.00071 . . . . . . . 15065 2 212 . 1 1 245 245 ASN N N 15 0.01977 0 . . . . . . . 15065 2 213 . 1 1 246 246 ALA N N 15 0.01624 0 . . . . . . . 15065 2 214 . 1 1 247 247 LYS N N 15 0.01866 0 . . . . . . . 15065 2 215 . 1 1 248 248 HIS N N 15 0.02717 0 . . . . . . . 15065 2 stop_ save_