data_6319 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6319 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Nkx2.5 Homeodomain plus NK2 Specific Domain in the DNA Bound State ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-09-21 _Entry.Accession_date 2004-09-23 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 James Gruschus . M. . 6319 2 Hyun-Sook Lee . . . 6319 3 James Ferretti . A. . 6319 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6319 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 255 6319 '13C chemical shifts' 169 6319 '15N chemical shifts' 134 6319 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-07-15 . update BMRB 'update DNA residue label to two-letter code' 6319 2 . . 2005-02-10 . update BMRB ; citation updated molecular system updated with DNA binding partner author numbering and domain designations added to protein sequence information ; 6319 3 . . 2004-10-10 . original author 'original release' 6319 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6319 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: NMR assignments of the DNA-bound human Csx/Nkx2.5 homeodomain and NK2-specific domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 31 _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 75 _Citation.Page_last 76 _Citation.Year 2005 _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 Hyun-Sook Lee . . . 6319 1 2 James Gruschus . M. . 6319 1 3 Tao Zhang . . . 6319 1 4 James Ferretti . A. . 6319 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_molecular_system _Assembly.Sf_category assembly _Assembly.Sf_framecode molecular_system _Assembly.Entry_ID 6319 _Assembly.ID 1 _Assembly.Name 'nkx2.5 homeodomain plus NK2 specific domain in DNA bound state' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6319 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 nkx2.5 1 $nkx2.5_HD_+_SD . . . native . . . . . 6319 1 2 'DNA strand 1' 2 $DNA_strand_1 . . . native . . . . . 6319 1 3 'DNA strand 2' 3 $DNA_strand_2 . . . native . . . . . 6319 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'nkx2.5 homeodomain plus NK2 specific domain in DNA bound state' system 6319 1 'nkx2.5 homeodomain plus NK2 specific domain in DNA bound state' abbreviation 6319 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_nkx2.5_HD_+_SD _Entity.Sf_category entity _Entity.Sf_framecode nkx2.5_HD_+_SD _Entity.Entry_ID 6319 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'nkx2.5 homeodomain plus NK2 specific domain' _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 ; MHHHHHHSSGLVPRGSGMKE TAAAKFERQHMDSPDLGTDD DDKAMAERPRARRRRKPRVL FSQAQVYELERRFKQQRYLS APERDQLASVLKLTSTQVKI WFQNRRYKCKRQRQDQTLEL VGLPPPPPPPARRIAVPVLV RDGKPCLGDSAP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 152 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Residues 46-151 correspond to residues 131-236 of human Nkx2.5 Residues 54-114 represent the homeodomain Residues 131-147 represent the NK2 specific domain Resiudes 1-45 were added in the cloning process and include a his tag ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no GB AAI14090 . "NK2 transcription factor related, locus 5 (Drosophila) [Bos taurus]" . . . . . 70.39 323 100.00 100.00 2.39e-67 . . . . 6319 1 2 no GB AAS99114 . "transcription factor NKX2.5 [Canis lupus familiaris]" . . . . . 70.39 322 99.07 99.07 1.04e-64 . . . . 6319 1 3 no GB ABB00236 . "NKX2-5 [Canis lupus familiaris]" . . . . . 70.39 322 99.07 99.07 1.04e-64 . . . . 6319 1 4 no GB ABC71311 . "NKX2-5 [Canis lupus familiaris]" . . . . . 70.39 322 99.07 99.07 1.04e-64 . . . . 6319 1 5 no GB EHB08399 . "Homeobox protein Nkx-2.5 [Heterocephalus glaber]" . . . . . 71.05 324 99.07 99.07 1.88e-65 . . . . 6319 1 6 no REF NP_001010959 . "homeobox protein Nkx-2.5 [Canis lupus familiaris]" . . . . . 70.39 322 99.07 99.07 1.04e-64 . . . . 6319 1 7 no REF NP_001039908 . "homeobox protein Nkx-2.5 [Bos taurus]" . . . . . 70.39 323 100.00 100.00 2.39e-67 . . . . 6319 1 8 no REF XP_001096796 . "PREDICTED: homeobox protein Nkx-2.5 [Macaca mulatta]" . . . . . 70.39 324 100.00 100.00 2.54e-67 . . . . 6319 1 9 no REF XP_002710431 . "PREDICTED: homeobox protein Nkx-2.5 [Oryctolagus cuniculus]" . . . . . 70.39 326 100.00 100.00 1.63e-67 . . . . 6319 1 10 no REF XP_002744612 . "PREDICTED: homeobox protein Nkx-2.5 [Callithrix jacchus]" . . . . . 70.39 324 100.00 100.00 2.18e-67 . . . . 6319 1 11 no TPG DAA18041 . "TPA: NK2 transcription factor related, locus 5 [Bos taurus]" . . . . . 70.39 323 100.00 100.00 2.39e-67 . . . . 6319 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'nkx2.5 homeodomain plus NK2 specific domain' common 6319 1 'nkx2.5 homeodomain plus NK2 specific domain' abbreviation 6319 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 . 6319 1 2 . HIS . 6319 1 3 . HIS . 6319 1 4 . HIS . 6319 1 5 . HIS . 6319 1 6 . HIS . 6319 1 7 . HIS . 6319 1 8 . SER . 6319 1 9 . SER . 6319 1 10 . GLY . 6319 1 11 . LEU . 6319 1 12 . VAL . 6319 1 13 . PRO . 6319 1 14 . ARG . 6319 1 15 . GLY . 6319 1 16 . SER . 6319 1 17 . GLY . 6319 1 18 . MET . 6319 1 19 . LYS . 6319 1 20 . GLU . 6319 1 21 . THR . 6319 1 22 . ALA . 6319 1 23 . ALA . 6319 1 24 . ALA . 6319 1 25 . LYS . 6319 1 26 . PHE . 6319 1 27 . GLU . 6319 1 28 . ARG . 6319 1 29 . GLN . 6319 1 30 . HIS . 6319 1 31 . MET . 6319 1 32 . ASP . 6319 1 33 . SER . 6319 1 34 . PRO . 6319 1 35 . ASP . 6319 1 36 . LEU . 6319 1 37 . GLY . 6319 1 38 . THR . 6319 1 39 . ASP . 6319 1 40 . ASP . 6319 1 41 . ASP . 6319 1 42 . ASP . 6319 1 43 . LYS . 6319 1 44 . ALA . 6319 1 45 . MET . 6319 1 46 131 ALA . 6319 1 47 132 GLU . 6319 1 48 133 ARG . 6319 1 49 134 PRO . 6319 1 50 135 ARG . 6319 1 51 136 ALA . 6319 1 52 137 ARG . 6319 1 53 138 ARG . 6319 1 54 139 ARG . 6319 1 55 140 ARG . 6319 1 56 141 LYS . 6319 1 57 142 PRO . 6319 1 58 143 ARG . 6319 1 59 144 VAL . 6319 1 60 145 LEU . 6319 1 61 146 PHE . 6319 1 62 147 SER . 6319 1 63 148 GLN . 6319 1 64 149 ALA . 6319 1 65 150 GLN . 6319 1 66 151 VAL . 6319 1 67 152 TYR . 6319 1 68 153 GLU . 6319 1 69 154 LEU . 6319 1 70 155 GLU . 6319 1 71 156 ARG . 6319 1 72 157 ARG . 6319 1 73 158 PHE . 6319 1 74 159 LYS . 6319 1 75 160 GLN . 6319 1 76 161 GLN . 6319 1 77 162 ARG . 6319 1 78 163 TYR . 6319 1 79 164 LEU . 6319 1 80 165 SER . 6319 1 81 166 ALA . 6319 1 82 167 PRO . 6319 1 83 168 GLU . 6319 1 84 169 ARG . 6319 1 85 170 ASP . 6319 1 86 171 GLN . 6319 1 87 172 LEU . 6319 1 88 173 ALA . 6319 1 89 174 SER . 6319 1 90 175 VAL . 6319 1 91 176 LEU . 6319 1 92 177 LYS . 6319 1 93 178 LEU . 6319 1 94 179 THR . 6319 1 95 180 SER . 6319 1 96 181 THR . 6319 1 97 182 GLN . 6319 1 98 183 VAL . 6319 1 99 184 LYS . 6319 1 100 185 ILE . 6319 1 101 186 TRP . 6319 1 102 187 PHE . 6319 1 103 188 GLN . 6319 1 104 189 ASN . 6319 1 105 190 ARG . 6319 1 106 191 ARG . 6319 1 107 192 TYR . 6319 1 108 193 LYS . 6319 1 109 194 CYS . 6319 1 110 195 LYS . 6319 1 111 196 ARG . 6319 1 112 197 GLN . 6319 1 113 198 ARG . 6319 1 114 199 GLN . 6319 1 115 200 ASP . 6319 1 116 201 GLN . 6319 1 117 202 THR . 6319 1 118 203 LEU . 6319 1 119 204 GLU . 6319 1 120 205 LEU . 6319 1 121 206 VAL . 6319 1 122 207 GLY . 6319 1 123 205 LEU . 6319 1 124 209 PRO . 6319 1 125 210 PRO . 6319 1 126 211 PRO . 6319 1 127 212 PRO . 6319 1 128 213 PRO . 6319 1 129 214 PRO . 6319 1 130 215 PRO . 6319 1 131 216 ALA . 6319 1 132 217 ARG . 6319 1 133 218 ARG . 6319 1 134 219 ILE . 6319 1 135 220 ALA . 6319 1 136 221 VAL . 6319 1 137 222 PRO . 6319 1 138 223 VAL . 6319 1 139 224 LEU . 6319 1 140 225 VAL . 6319 1 141 226 ARG . 6319 1 142 227 ASP . 6319 1 143 228 GLY . 6319 1 144 229 LYS . 6319 1 145 230 PRO . 6319 1 146 231 CYS . 6319 1 147 232 LEU . 6319 1 148 233 GLY . 6319 1 149 234 ASP . 6319 1 150 235 SER . 6319 1 151 236 ALA . 6319 1 152 . PRO . 6319 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 6319 1 . HIS 2 2 6319 1 . HIS 3 3 6319 1 . HIS 4 4 6319 1 . HIS 5 5 6319 1 . HIS 6 6 6319 1 . HIS 7 7 6319 1 . SER 8 8 6319 1 . SER 9 9 6319 1 . GLY 10 10 6319 1 . LEU 11 11 6319 1 . VAL 12 12 6319 1 . PRO 13 13 6319 1 . ARG 14 14 6319 1 . GLY 15 15 6319 1 . SER 16 16 6319 1 . GLY 17 17 6319 1 . MET 18 18 6319 1 . LYS 19 19 6319 1 . GLU 20 20 6319 1 . THR 21 21 6319 1 . ALA 22 22 6319 1 . ALA 23 23 6319 1 . ALA 24 24 6319 1 . LYS 25 25 6319 1 . PHE 26 26 6319 1 . GLU 27 27 6319 1 . ARG 28 28 6319 1 . GLN 29 29 6319 1 . HIS 30 30 6319 1 . MET 31 31 6319 1 . ASP 32 32 6319 1 . SER 33 33 6319 1 . PRO 34 34 6319 1 . ASP 35 35 6319 1 . LEU 36 36 6319 1 . GLY 37 37 6319 1 . THR 38 38 6319 1 . ASP 39 39 6319 1 . ASP 40 40 6319 1 . ASP 41 41 6319 1 . ASP 42 42 6319 1 . LYS 43 43 6319 1 . ALA 44 44 6319 1 . MET 45 45 6319 1 . ALA 46 46 6319 1 . GLU 47 47 6319 1 . ARG 48 48 6319 1 . PRO 49 49 6319 1 . ARG 50 50 6319 1 . ALA 51 51 6319 1 . ARG 52 52 6319 1 . ARG 53 53 6319 1 . ARG 54 54 6319 1 . ARG 55 55 6319 1 . LYS 56 56 6319 1 . PRO 57 57 6319 1 . ARG 58 58 6319 1 . VAL 59 59 6319 1 . LEU 60 60 6319 1 . PHE 61 61 6319 1 . SER 62 62 6319 1 . GLN 63 63 6319 1 . ALA 64 64 6319 1 . GLN 65 65 6319 1 . VAL 66 66 6319 1 . TYR 67 67 6319 1 . GLU 68 68 6319 1 . LEU 69 69 6319 1 . GLU 70 70 6319 1 . ARG 71 71 6319 1 . ARG 72 72 6319 1 . PHE 73 73 6319 1 . LYS 74 74 6319 1 . GLN 75 75 6319 1 . GLN 76 76 6319 1 . ARG 77 77 6319 1 . TYR 78 78 6319 1 . LEU 79 79 6319 1 . SER 80 80 6319 1 . ALA 81 81 6319 1 . PRO 82 82 6319 1 . GLU 83 83 6319 1 . ARG 84 84 6319 1 . ASP 85 85 6319 1 . GLN 86 86 6319 1 . LEU 87 87 6319 1 . ALA 88 88 6319 1 . SER 89 89 6319 1 . VAL 90 90 6319 1 . LEU 91 91 6319 1 . LYS 92 92 6319 1 . LEU 93 93 6319 1 . THR 94 94 6319 1 . SER 95 95 6319 1 . THR 96 96 6319 1 . GLN 97 97 6319 1 . VAL 98 98 6319 1 . LYS 99 99 6319 1 . ILE 100 100 6319 1 . TRP 101 101 6319 1 . PHE 102 102 6319 1 . GLN 103 103 6319 1 . ASN 104 104 6319 1 . ARG 105 105 6319 1 . ARG 106 106 6319 1 . TYR 107 107 6319 1 . LYS 108 108 6319 1 . CYS 109 109 6319 1 . LYS 110 110 6319 1 . ARG 111 111 6319 1 . GLN 112 112 6319 1 . ARG 113 113 6319 1 . GLN 114 114 6319 1 . ASP 115 115 6319 1 . GLN 116 116 6319 1 . THR 117 117 6319 1 . LEU 118 118 6319 1 . GLU 119 119 6319 1 . LEU 120 120 6319 1 . VAL 121 121 6319 1 . GLY 122 122 6319 1 . LEU 123 123 6319 1 . PRO 124 124 6319 1 . PRO 125 125 6319 1 . PRO 126 126 6319 1 . PRO 127 127 6319 1 . PRO 128 128 6319 1 . PRO 129 129 6319 1 . PRO 130 130 6319 1 . ALA 131 131 6319 1 . ARG 132 132 6319 1 . ARG 133 133 6319 1 . ILE 134 134 6319 1 . ALA 135 135 6319 1 . VAL 136 136 6319 1 . PRO 137 137 6319 1 . VAL 138 138 6319 1 . LEU 139 139 6319 1 . VAL 140 140 6319 1 . ARG 141 141 6319 1 . ASP 142 142 6319 1 . GLY 143 143 6319 1 . LYS 144 144 6319 1 . PRO 145 145 6319 1 . CYS 146 146 6319 1 . LEU 147 147 6319 1 . GLY 148 148 6319 1 . ASP 149 149 6319 1 . SER 150 150 6319 1 . ALA 151 151 6319 1 . PRO 152 152 6319 1 stop_ save_ save_DNA_strand_1 _Entity.Sf_category entity _Entity.Sf_framecode DNA_strand_1 _Entity.Entry_ID 6319 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name DNA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code TGTGTCAAGTGGCTGT _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 16 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _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_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID DNA common 6319 2 DNA abbreviation 6319 2 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 . DT . 6319 2 2 . DG . 6319 2 3 . DT . 6319 2 4 . DG . 6319 2 5 . DT . 6319 2 6 . DC . 6319 2 7 . DA . 6319 2 8 . DA . 6319 2 9 . DG . 6319 2 10 . DT . 6319 2 11 . DG . 6319 2 12 . DG . 6319 2 13 . DC . 6319 2 14 . DT . 6319 2 15 . DG . 6319 2 16 . DT . 6319 2 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 . DT 1 1 6319 2 . DG 2 2 6319 2 . DT 3 3 6319 2 . DG 4 4 6319 2 . DT 5 5 6319 2 . DC 6 6 6319 2 . DA 7 7 6319 2 . DA 8 8 6319 2 . DG 9 9 6319 2 . DT 10 10 6319 2 . DG 11 11 6319 2 . DG 12 12 6319 2 . DC 13 13 6319 2 . DT 14 14 6319 2 . DG 15 15 6319 2 . DT 16 16 6319 2 stop_ save_ save_DNA_strand_2 _Entity.Sf_category entity _Entity.Sf_framecode DNA_strand_2 _Entity.Entry_ID 6319 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name DNA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ACAGCCACTTGACACA _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 16 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 3 _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_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID DNA common 6319 3 DNA abbreviation 6319 3 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 . DA . 6319 3 2 . DC . 6319 3 3 . DA . 6319 3 4 . DG . 6319 3 5 . DC . 6319 3 6 . DC . 6319 3 7 . DA . 6319 3 8 . DC . 6319 3 9 . DT . 6319 3 10 . DT . 6319 3 11 . DG . 6319 3 12 . DA . 6319 3 13 . DC . 6319 3 14 . DA . 6319 3 15 . DC . 6319 3 16 . DA . 6319 3 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 . DA 1 1 6319 3 . DC 2 2 6319 3 . DA 3 3 6319 3 . DG 4 4 6319 3 . DC 5 5 6319 3 . DC 6 6 6319 3 . DA 7 7 6319 3 . DC 8 8 6319 3 . DT 9 9 6319 3 . DT 10 10 6319 3 . DG 11 11 6319 3 . DA 12 12 6319 3 . DC 13 13 6319 3 . DA 14 14 6319 3 . DC 15 15 6319 3 . DA 16 16 6319 3 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 6319 _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 $nkx2.5_HD_+_SD . 9606 organism . 'Homo sapiens' human . . Eukaryota Animalia Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6319 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 6319 _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 $nkx2.5_HD_+_SD . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . pET-30a . . . . . . 6319 1 2 2 $DNA_strand_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6319 1 3 3 $DNA_strand_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6319 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 6319 _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 'nkx2.5 homeodomain plus NK2 specific domain' '[U-13C; U-15N]' . . 1 $nkx2.5_HD_+_SD . . 0.4 . . mM . . . . 6319 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 6319 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5 0.2 pH 6319 1 temperature 307 1 K 6319 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6319 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6319 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DRX . 600 . . . 6319 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 6319 _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 . . . . . . . . . . . . 1 $sample . . . 1 $sample_conditions . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6319 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6319 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 TSP 'methyl protons' . . . . ppm 0 external direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6319 1 C 13 TSP 'methyl protons' . . . . ppm 0 external indirect 0.25144952 . . . 1 $entry_citation . . 1 $entry_citation 6319 1 N 15 TSP 'methyl protons' . . . . ppm 0 external indirect 0.10132905 . . . 1 $entry_citation . . 1 $entry_citation 6319 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_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 6319 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample . 6319 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 HIS H H 1 8.78 0.02 . 5 . . . . . . . . 6319 1 2 . 1 1 3 3 HIS CA C 13 55.1 0.2 . 5 . . . . . . . . 6319 1 3 . 1 1 3 3 HIS CB C 13 29.2 0.2 . 5 . . . . . . . . 6319 1 4 . 1 1 3 3 HIS N N 15 121.9 0.1 . 5 . . . . . . . . 6319 1 5 . 1 1 4 4 HIS H H 1 8.79 0.02 . 5 . . . . . . . . 6319 1 6 . 1 1 4 4 HIS CA C 13 55.1 0.2 . 5 . . . . . . . . 6319 1 7 . 1 1 4 4 HIS CB C 13 29.2 0.2 . 5 . . . . . . . . 6319 1 8 . 1 1 4 4 HIS N N 15 121.4 0.1 . 5 . . . . . . . . 6319 1 9 . 1 1 5 5 HIS H H 1 8.79 0.02 . 5 . . . . . . . . 6319 1 10 . 1 1 5 5 HIS CA C 13 55.1 0.2 . 5 . . . . . . . . 6319 1 11 . 1 1 5 5 HIS CB C 13 29.2 0.2 . 5 . . . . . . . . 6319 1 12 . 1 1 5 5 HIS N N 15 121.1 0.1 . 5 . . . . . . . . 6319 1 13 . 1 1 6 6 HIS H H 1 8.77 0.02 . 5 . . . . . . . . 6319 1 14 . 1 1 6 6 HIS CA C 13 55.1 0.2 . 5 . . . . . . . . 6319 1 15 . 1 1 6 6 HIS CB C 13 29.2 0.2 . 5 . . . . . . . . 6319 1 16 . 1 1 6 6 HIS N N 15 120.8 0.1 . 5 . . . . . . . . 6319 1 17 . 1 1 7 7 HIS H H 1 8.77 0.02 . 1 . . . . . . . . 6319 1 18 . 1 1 7 7 HIS CA C 13 55.1 0.2 . 1 . . . . . . . . 6319 1 19 . 1 1 7 7 HIS CB C 13 29.2 0.2 . 1 . . . . . . . . 6319 1 20 . 1 1 7 7 HIS N N 15 120.9 0.1 . 1 . . . . . . . . 6319 1 21 . 1 1 8 8 SER H H 1 8.53 0.02 . 1 . . . . . . . . 6319 1 22 . 1 1 8 8 SER HA H 1 4.51 0.02 . 1 . . . . . . . . 6319 1 23 . 1 1 8 8 SER CA C 13 58.3 0.2 . 1 . . . . . . . . 6319 1 24 . 1 1 8 8 SER CB C 13 63.8 0.2 . 1 . . . . . . . . 6319 1 25 . 1 1 8 8 SER N N 15 119.1 0.1 . 1 . . . . . . . . 6319 1 26 . 1 1 9 9 SER H H 1 8.51 0.02 . 1 . . . . . . . . 6319 1 27 . 1 1 9 9 SER HA H 1 4.51 0.02 . 1 . . . . . . . . 6319 1 28 . 1 1 9 9 SER CA C 13 58.3 0.2 . 1 . . . . . . . . 6319 1 29 . 1 1 9 9 SER CB C 13 63.8 0.2 . 1 . . . . . . . . 6319 1 30 . 1 1 9 9 SER N N 15 118.9 0.1 . 1 . . . . . . . . 6319 1 31 . 1 1 10 10 GLY H H 1 8.41 0.02 . 1 . . . . . . . . 6319 1 32 . 1 1 10 10 GLY HA2 H 1 3.96 0.02 . 1 . . . . . . . . 6319 1 33 . 1 1 10 10 GLY HA3 H 1 3.96 0.02 . 1 . . . . . . . . 6319 1 34 . 1 1 10 10 GLY CA C 13 45.1 0.2 . 1 . . . . . . . . 6319 1 35 . 1 1 10 10 GLY N N 15 111.3 0.1 . 1 . . . . . . . . 6319 1 36 . 1 1 11 11 LEU H H 1 8.06 0.02 . 1 . . . . . . . . 6319 1 37 . 1 1 11 11 LEU HA H 1 4.36 0.02 . 1 . . . . . . . . 6319 1 38 . 1 1 11 11 LEU CA C 13 54.9 0.2 . 1 . . . . . . . . 6319 1 39 . 1 1 11 11 LEU CB C 13 42.2 0.2 . 1 . . . . . . . . 6319 1 40 . 1 1 11 11 LEU N N 15 122.3 0.1 . 1 . . . . . . . . 6319 1 41 . 1 1 12 12 VAL H H 1 8.08 0.02 . 1 . . . . . . . . 6319 1 42 . 1 1 12 12 VAL HA H 1 4.35 0.02 . 1 . . . . . . . . 6319 1 43 . 1 1 12 12 VAL CA C 13 59.6 0.2 . 1 . . . . . . . . 6319 1 44 . 1 1 12 12 VAL CB C 13 32.6 0.2 . 1 . . . . . . . . 6319 1 45 . 1 1 12 12 VAL N N 15 123.3 0.1 . 1 . . . . . . . . 6319 1 46 . 1 1 13 13 PRO CA C 13 62.8 0.2 . 1 . . . . . . . . 6319 1 47 . 1 1 13 13 PRO CB C 13 31.8 0.2 . 1 . . . . . . . . 6319 1 48 . 1 1 14 14 ARG H H 1 8.44 0.02 . 1 . . . . . . . . 6319 1 49 . 1 1 14 14 ARG HA H 1 4.31 0.1 . 1 . . . . . . . . 6319 1 50 . 1 1 14 14 ARG CA C 13 56.4 0.2 . 1 . . . . . . . . 6319 1 51 . 1 1 14 14 ARG CB C 13 30.8 0.2 . 1 . . . . . . . . 6319 1 52 . 1 1 14 14 ARG N N 15 122.5 0.1 . 1 . . . . . . . . 6319 1 53 . 1 1 15 15 GLY H H 1 8.46 0.02 . 1 . . . . . . . . 6319 1 54 . 1 1 15 15 GLY HA2 H 1 4.01 0.02 . 1 . . . . . . . . 6319 1 55 . 1 1 15 15 GLY HA3 H 1 4.01 0.02 . 1 . . . . . . . . 6319 1 56 . 1 1 15 15 GLY CA C 13 45.1 0.2 . 1 . . . . . . . . 6319 1 57 . 1 1 15 15 GLY N N 15 110.0 0.1 . 1 . . . . . . . . 6319 1 58 . 1 1 16 16 SER H H 1 8.27 0.02 . 1 . . . . . . . . 6319 1 59 . 1 1 16 16 SER HA H 1 4.45 0.02 . 1 . . . . . . . . 6319 1 60 . 1 1 16 16 SER CA C 13 58.5 0.2 . 1 . . . . . . . . 6319 1 61 . 1 1 16 16 SER CB C 13 63.8 0.2 . 1 . . . . . . . . 6319 1 62 . 1 1 16 16 SER N N 15 116.5 0.1 . 1 . . . . . . . . 6319 1 63 . 1 1 17 17 GLY H H 1 8.51 0.02 . 1 . . . . . . . . 6319 1 64 . 1 1 17 17 GLY HA2 H 1 3.96 0.02 . 1 . . . . . . . . 6319 1 65 . 1 1 17 17 GLY HA3 H 1 3.96 0.02 . 1 . . . . . . . . 6319 1 66 . 1 1 17 17 GLY CA C 13 45.2 0.2 . 1 . . . . . . . . 6319 1 67 . 1 1 17 17 GLY N N 15 111.5 0.1 . 1 . . . . . . . . 6319 1 68 . 1 1 18 18 MET H H 1 8.13 0.02 . 1 . . . . . . . . 6319 1 69 . 1 1 18 18 MET HA H 1 4.45 0.02 . 1 . . . . . . . . 6319 1 70 . 1 1 18 18 MET CA C 13 55.5 0.2 . 1 . . . . . . . . 6319 1 71 . 1 1 18 18 MET CB C 13 32.8 0.2 . 1 . . . . . . . . 6319 1 72 . 1 1 18 18 MET N N 15 120.4 0.1 . 1 . . . . . . . . 6319 1 73 . 1 1 19 19 LYS H H 1 8.32 0.02 . 1 . . . . . . . . 6319 1 74 . 1 1 19 19 LYS HA H 1 4.29 0.02 . 1 . . . . . . . . 6319 1 75 . 1 1 19 19 LYS CA C 13 56.4 0.2 . 1 . . . . . . . . 6319 1 76 . 1 1 19 19 LYS CB C 13 32.8 0.2 . 1 . . . . . . . . 6319 1 77 . 1 1 19 19 LYS N N 15 122.9 0.1 . 1 . . . . . . . . 6319 1 78 . 1 1 20 20 GLU H H 1 8.43 0.02 . 1 . . . . . . . . 6319 1 79 . 1 1 20 20 GLU HA H 1 4.31 0.02 . 1 . . . . . . . . 6319 1 80 . 1 1 20 20 GLU CA C 13 56.4 0.2 . 1 . . . . . . . . 6319 1 81 . 1 1 20 20 GLU CB C 13 29.8 0.2 . 1 . . . . . . . . 6319 1 82 . 1 1 20 20 GLU N N 15 122.7 0.1 . 1 . . . . . . . . 6319 1 83 . 1 1 21 21 THR H H 1 8.08 0.02 . 1 . . . . . . . . 6319 1 84 . 1 1 21 21 THR HA H 1 4.34 0.02 . 1 . . . . . . . . 6319 1 85 . 1 1 21 21 THR CA C 13 61.8 0.2 . 1 . . . . . . . . 6319 1 86 . 1 1 21 21 THR CB C 13 69.8 0.2 . 1 . . . . . . . . 6319 1 87 . 1 1 21 21 THR N N 15 115.7 0.1 . 1 . . . . . . . . 6319 1 88 . 1 1 22 22 ALA H H 1 8.31 0.02 . 1 . . . . . . . . 6319 1 89 . 1 1 22 22 ALA HA H 1 4.29 0.02 . 1 . . . . . . . . 6319 1 90 . 1 1 22 22 ALA CA C 13 53.2 0.2 . 1 . . . . . . . . 6319 1 91 . 1 1 22 22 ALA CB C 13 18.8 0.2 . 1 . . . . . . . . 6319 1 92 . 1 1 22 22 ALA N N 15 126.3 0.1 . 1 . . . . . . . . 6319 1 93 . 1 1 23 23 ALA H H 1 8.13 0.02 . 1 . . . . . . . . 6319 1 94 . 1 1 23 23 ALA HA H 1 4.24 0.02 . 1 . . . . . . . . 6319 1 95 . 1 1 23 23 ALA CA C 13 53.1 0.2 . 1 . . . . . . . . 6319 1 96 . 1 1 23 23 ALA CB C 13 18.9 0.2 . 1 . . . . . . . . 6319 1 97 . 1 1 23 23 ALA N N 15 122.9 0.1 . 1 . . . . . . . . 6319 1 98 . 1 1 24 24 ALA H H 1 8.01 0.02 . 1 . . . . . . . . 6319 1 99 . 1 1 24 24 ALA HA H 1 4.22 0.02 . 1 . . . . . . . . 6319 1 100 . 1 1 24 24 ALA CA C 13 53.0 0.2 . 1 . . . . . . . . 6319 1 101 . 1 1 24 24 ALA CB C 13 19.0 0.2 . 1 . . . . . . . . 6319 1 102 . 1 1 24 24 ALA N N 15 123.1 0.1 . 1 . . . . . . . . 6319 1 103 . 1 1 25 25 LYS H H 1 8.01 0.02 . 1 . . . . . . . . 6319 1 104 . 1 1 25 25 LYS HA H 1 4.14 0.02 . 1 . . . . . . . . 6319 1 105 . 1 1 25 25 LYS CA C 13 57.1 0.2 . 1 . . . . . . . . 6319 1 106 . 1 1 25 25 LYS CB C 13 32.6 0.2 . 1 . . . . . . . . 6319 1 107 . 1 1 25 25 LYS N N 15 120.2 0.1 . 1 . . . . . . . . 6319 1 108 . 1 1 26 26 PHE H H 1 8.02 0.02 . 1 . . . . . . . . 6319 1 109 . 1 1 26 26 PHE HA H 1 4.55 0.02 . 1 . . . . . . . . 6319 1 110 . 1 1 26 26 PHE CA C 13 58.4 0.2 . 1 . . . . . . . . 6319 1 111 . 1 1 26 26 PHE CB C 13 39.2 0.2 . 1 . . . . . . . . 6319 1 112 . 1 1 26 26 PHE N N 15 120.4 0.1 . 1 . . . . . . . . 6319 1 113 . 1 1 27 27 GLU H H 1 8.17 0.02 . 1 . . . . . . . . 6319 1 114 . 1 1 27 27 GLU HA H 1 4.23 0.02 . 1 . . . . . . . . 6319 1 115 . 1 1 27 27 GLU CA C 13 56.7 0.2 . 1 . . . . . . . . 6319 1 116 . 1 1 27 27 GLU CB C 13 29.6 0.2 . 1 . . . . . . . . 6319 1 117 . 1 1 27 27 GLU N N 15 122.4 0.1 . 1 . . . . . . . . 6319 1 118 . 1 1 28 28 ARG H H 1 8.16 0.02 . 1 . . . . . . . . 6319 1 119 . 1 1 28 28 ARG HA H 1 4.23 0.02 . 1 . . . . . . . . 6319 1 120 . 1 1 28 28 ARG CA C 13 55.4 0.2 . 1 . . . . . . . . 6319 1 121 . 1 1 28 28 ARG CB C 13 30.3 0.2 . 1 . . . . . . . . 6319 1 122 . 1 1 28 28 ARG N N 15 121.9 0.1 . 1 . . . . . . . . 6319 1 123 . 1 1 29 29 GLN H H 1 8.24 0.02 . 1 . . . . . . . . 6319 1 124 . 1 1 29 29 GLN HA H 1 4.23 0.02 . 1 . . . . . . . . 6319 1 125 . 1 1 29 29 GLN CA C 13 56.2 0.2 . 1 . . . . . . . . 6319 1 126 . 1 1 29 29 GLN CB C 13 29.2 0.2 . 1 . . . . . . . . 6319 1 127 . 1 1 29 29 GLN N N 15 120.6 0.1 . 1 . . . . . . . . 6319 1 128 . 1 1 30 30 HIS H H 1 8.39 0.02 . 1 . . . . . . . . 6319 1 129 . 1 1 30 30 HIS HA H 1 4.22 0.02 . 1 . . . . . . . . 6319 1 130 . 1 1 30 30 HIS CA C 13 55.3 0.2 . 1 . . . . . . . . 6319 1 131 . 1 1 30 30 HIS CB C 13 28.5 0.2 . 1 . . . . . . . . 6319 1 132 . 1 1 30 30 HIS N N 15 119.4 0.1 . 1 . . . . . . . . 6319 1 133 . 1 1 31 31 MET H H 1 8.28 0.02 . 1 . . . . . . . . 6319 1 134 . 1 1 31 31 MET HA H 1 4.46 0.02 . 1 . . . . . . . . 6319 1 135 . 1 1 31 31 MET CA C 13 55.3 0.2 . 1 . . . . . . . . 6319 1 136 . 1 1 31 31 MET CB C 13 32.8 0.2 . 1 . . . . . . . . 6319 1 137 . 1 1 31 31 MET N N 15 122.1 0.1 . 1 . . . . . . . . 6319 1 138 . 1 1 32 32 ASP H H 1 8.41 0.02 . 1 . . . . . . . . 6319 1 139 . 1 1 32 32 ASP HA H 1 4.60 0.02 . 1 . . . . . . . . 6319 1 140 . 1 1 32 32 ASP CA C 13 54.0 0.2 . 1 . . . . . . . . 6319 1 141 . 1 1 32 32 ASP CB C 13 40.7 0.2 . 1 . . . . . . . . 6319 1 142 . 1 1 32 32 ASP N N 15 121.9 0.1 . 1 . . . . . . . . 6319 1 143 . 1 1 33 33 SER H H 1 8.09 0.02 . 1 . . . . . . . . 6319 1 144 . 1 1 33 33 SER HA H 1 4.47 0.02 . 1 . . . . . . . . 6319 1 145 . 1 1 33 33 SER CA C 13 56.1 0.2 . 1 . . . . . . . . 6319 1 146 . 1 1 33 33 SER CB C 13 63.3 0.2 . 1 . . . . . . . . 6319 1 147 . 1 1 33 33 SER N N 15 117.2 0.1 . 1 . . . . . . . . 6319 1 148 . 1 1 34 34 PRO HA H 1 4.43 0.02 . 1 . . . . . . . . 6319 1 149 . 1 1 34 34 PRO CA C 13 63.2 0.2 . 1 . . . . . . . . 6319 1 150 . 1 1 34 34 PRO CB C 13 31.8 0.2 . 1 . . . . . . . . 6319 1 151 . 1 1 35 35 ASP H H 1 8.30 0.02 . 1 . . . . . . . . 6319 1 152 . 1 1 35 35 ASP HA H 1 4.58 0.02 . 1 . . . . . . . . 6319 1 153 . 1 1 35 35 ASP CA C 13 53.8 0.2 . 1 . . . . . . . . 6319 1 154 . 1 1 35 35 ASP CB C 13 40.4 0.2 . 1 . . . . . . . . 6319 1 155 . 1 1 35 35 ASP N N 15 120.2 0.1 . 1 . . . . . . . . 6319 1 156 . 1 1 36 36 LEU H H 1 8.12 0.02 . 1 . . . . . . . . 6319 1 157 . 1 1 36 36 LEU HA H 1 4.33 0.02 . 1 . . . . . . . . 6319 1 158 . 1 1 36 36 LEU CA C 13 55.0 0.2 . 1 . . . . . . . . 6319 1 159 . 1 1 36 36 LEU CB C 13 42.1 0.2 . 1 . . . . . . . . 6319 1 160 . 1 1 36 36 LEU N N 15 123.4 0.1 . 1 . . . . . . . . 6319 1 161 . 1 1 37 37 GLY H H 1 8.41 0.02 . 1 . . . . . . . . 6319 1 162 . 1 1 37 37 GLY HA2 H 1 4.00 0.02 . 1 . . . . . . . . 6319 1 163 . 1 1 37 37 GLY HA3 H 1 4.00 0.02 . 1 . . . . . . . . 6319 1 164 . 1 1 37 37 GLY CA C 13 45.3 0.2 . 1 . . . . . . . . 6319 1 165 . 1 1 37 37 GLY N N 15 110.0 0.1 . 1 . . . . . . . . 6319 1 166 . 1 1 38 38 THR H H 1 7.99 0.02 . 1 . . . . . . . . 6319 1 167 . 1 1 38 38 THR HA H 1 4.37 0.02 . 1 . . . . . . . . 6319 1 168 . 1 1 38 38 THR CA C 13 61.4 0.2 . 1 . . . . . . . . 6319 1 169 . 1 1 38 38 THR CB C 13 69.8 0.2 . 1 . . . . . . . . 6319 1 170 . 1 1 38 38 THR N N 15 113.5 0.1 . 1 . . . . . . . . 6319 1 171 . 1 1 39 39 ASP H H 1 8.42 0.02 . 1 . . . . . . . . 6319 1 172 . 1 1 39 39 ASP HA H 1 4.60 0.02 . 5 . . . . . . . . 6319 1 173 . 1 1 39 39 ASP CA C 13 54.0 0.2 . 1 . . . . . . . . 6319 1 174 . 1 1 39 39 ASP CB C 13 40.4 0.2 . 1 . . . . . . . . 6319 1 175 . 1 1 39 39 ASP N N 15 122.9 0.1 . 1 . . . . . . . . 6319 1 176 . 1 1 40 40 ASP H H 1 8.25 0.02 . 5 . . . . . . . . 6319 1 177 . 1 1 40 40 ASP HA H 1 4.58 0.02 . 5 . . . . . . . . 6319 1 178 . 1 1 40 40 ASP CA C 13 54.4 0.2 . 5 . . . . . . . . 6319 1 179 . 1 1 40 40 ASP CB C 13 40.4 0.2 . 5 . . . . . . . . 6319 1 180 . 1 1 40 40 ASP N N 15 120.9 0.1 . 5 . . . . . . . . 6319 1 181 . 1 1 41 41 ASP H H 1 8.25 0.02 . 5 . . . . . . . . 6319 1 182 . 1 1 41 41 ASP HA H 1 4.58 0.02 . 5 . . . . . . . . 6319 1 183 . 1 1 41 41 ASP CA C 13 54.4 0.2 . 5 . . . . . . . . 6319 1 184 . 1 1 41 41 ASP CB C 13 40.4 0.2 . 5 . . . . . . . . 6319 1 185 . 1 1 41 41 ASP N N 15 120.9 0.1 . 5 . . . . . . . . 6319 1 186 . 1 1 42 42 ASP H H 1 8.25 0.02 . 5 . . . . . . . . 6319 1 187 . 1 1 42 42 ASP HA H 1 4.58 0.02 . 5 . . . . . . . . 6319 1 188 . 1 1 42 42 ASP CA C 13 54.4 0.2 . 5 . . . . . . . . 6319 1 189 . 1 1 42 42 ASP CB C 13 40.4 0.2 . 5 . . . . . . . . 6319 1 190 . 1 1 42 42 ASP N N 15 120.9 0.1 . 5 . . . . . . . . 6319 1 191 . 1 1 43 43 LYS H H 1 8.09 0.02 . 1 . . . . . . . . 6319 1 192 . 1 1 43 43 LYS HA H 1 4.22 0.02 . 1 . . . . . . . . 6319 1 193 . 1 1 43 43 LYS CA C 13 56.8 0.2 . 1 . . . . . . . . 6319 1 194 . 1 1 43 43 LYS CB C 13 32.6 0.2 . 1 . . . . . . . . 6319 1 195 . 1 1 43 43 LYS N N 15 121.9 0.1 . 1 . . . . . . . . 6319 1 196 . 1 1 44 44 ALA H H 1 8.10 0.02 . 1 . . . . . . . . 6319 1 197 . 1 1 44 44 ALA HA H 1 4.24 0.02 . 1 . . . . . . . . 6319 1 198 . 1 1 44 44 ALA CA C 13 52.9 0.2 . 1 . . . . . . . . 6319 1 199 . 1 1 44 44 ALA CB C 13 18.8 0.2 . 1 . . . . . . . . 6319 1 200 . 1 1 44 44 ALA N N 15 123.9 0.1 . 1 . . . . . . . . 6319 1 201 . 1 1 45 45 MET H H 1 8.06 0.02 . 1 . . . . . . . . 6319 1 202 . 1 1 45 45 MET HA H 1 4.39 0.02 . 1 . . . . . . . . 6319 1 203 . 1 1 45 45 MET CA C 13 55.6 0.2 . 1 . . . . . . . . 6319 1 204 . 1 1 45 45 MET CB C 13 32.5 0.2 . 1 . . . . . . . . 6319 1 205 . 1 1 45 45 MET N N 15 119.2 0.1 . 1 . . . . . . . . 6319 1 206 . 1 1 46 46 ALA H H 1 8.05 0.02 . 1 . . . . . . . . 6319 1 207 . 1 1 46 46 ALA HA H 1 4.28 0.02 . 1 . . . . . . . . 6319 1 208 . 1 1 46 46 ALA CA C 13 52.6 0.2 . 1 . . . . . . . . 6319 1 209 . 1 1 46 46 ALA CB C 13 19.2 0.2 . 1 . . . . . . . . 6319 1 210 . 1 1 46 46 ALA N N 15 124.6 0.1 . 1 . . . . . . . . 6319 1 211 . 1 1 47 47 GLU H H 1 8.12 0.02 . 1 . . . . . . . . 6319 1 212 . 1 1 47 47 GLU HA H 1 4.28 0.02 . 1 . . . . . . . . 6319 1 213 . 1 1 47 47 GLU CA C 13 55.9 0.2 . 1 . . . . . . . . 6319 1 214 . 1 1 47 47 GLU CB C 13 29.7 0.2 . 1 . . . . . . . . 6319 1 215 . 1 1 47 47 GLU N N 15 119.7 0.1 . 1 . . . . . . . . 6319 1 216 . 1 1 48 48 ARG H H 1 8.09 0.02 . 1 . . . . . . . . 6319 1 217 . 1 1 48 48 ARG HA H 1 4.28 0.02 . 1 . . . . . . . . 6319 1 218 . 1 1 48 48 ARG CA C 13 56.3 0.2 . 1 . . . . . . . . 6319 1 219 . 1 1 48 48 ARG CB C 13 32.6 0.2 . 1 . . . . . . . . 6319 1 220 . 1 1 48 48 ARG N N 15 123.4 0.1 . 1 . . . . . . . . 6319 1 221 . 1 1 49 49 PRO HA H 1 4.42 0.02 . 1 . . . . . . . . 6319 1 222 . 1 1 49 49 PRO CA C 13 62.9 0.2 . 1 . . . . . . . . 6319 1 223 . 1 1 49 49 PRO CB C 13 31.8 0.2 . 1 . . . . . . . . 6319 1 224 . 1 1 50 50 ARG H H 1 8.37 0.02 . 1 . . . . . . . . 6319 1 225 . 1 1 50 50 ARG HA H 1 4.29 0.02 . 1 . . . . . . . . 6319 1 226 . 1 1 50 50 ARG CA C 13 55.7 0.2 . 1 . . . . . . . . 6319 1 227 . 1 1 50 50 ARG CB C 13 30.7 0.2 . 1 . . . . . . . . 6319 1 228 . 1 1 50 50 ARG N N 15 122.1 0.1 . 1 . . . . . . . . 6319 1 229 . 1 1 51 51 ALA H H 1 8.29 0.02 . 1 . . . . . . . . 6319 1 230 . 1 1 51 51 ALA HA H 1 4.29 0.02 . 1 . . . . . . . . 6319 1 231 . 1 1 51 51 ALA CA C 13 52.1 0.2 . 1 . . . . . . . . 6319 1 232 . 1 1 51 51 ALA CB C 13 19.3 0.2 . 1 . . . . . . . . 6319 1 233 . 1 1 51 51 ALA N N 15 126.1 0.1 . 1 . . . . . . . . 6319 1 234 . 1 1 52 52 ARG H H 1 8.32 0.02 . 1 . . . . . . . . 6319 1 235 . 1 1 52 52 ARG HA H 1 4.30 0.02 . 1 . . . . . . . . 6319 1 236 . 1 1 52 52 ARG CA C 13 55.6 0.2 . 1 . . . . . . . . 6319 1 237 . 1 1 52 52 ARG CB C 13 31.0 0.2 . 1 . . . . . . . . 6319 1 238 . 1 1 52 52 ARG N N 15 121.6 0.1 . 1 . . . . . . . . 6319 1 239 . 1 1 53 53 ARG H H 1 8.52 0.02 . 1 . . . . . . . . 6319 1 240 . 1 1 53 53 ARG HA H 1 4.34 0.02 . 1 . . . . . . . . 6319 1 241 . 1 1 53 53 ARG CA C 13 55.7 0.2 . 1 . . . . . . . . 6319 1 242 . 1 1 53 53 ARG CB C 13 30.8 0.2 . 1 . . . . . . . . 6319 1 243 . 1 1 53 53 ARG N N 15 124.1 0.1 . 1 . . . . . . . . 6319 1 244 . 1 1 54 54 ARG H H 1 8.41 0.02 . 1 . . . . . . . . 6319 1 245 . 1 1 54 54 ARG HA H 1 4.33 0.02 . 1 . . . . . . . . 6319 1 246 . 1 1 54 54 ARG CA C 13 55.7 0.2 . 1 . . . . . . . . 6319 1 247 . 1 1 54 54 ARG CB C 13 30.7 0.2 . 1 . . . . . . . . 6319 1 248 . 1 1 54 54 ARG N N 15 123.9 0.1 . 1 . . . . . . . . 6319 1 249 . 1 1 55 55 ARG H H 1 8.59 0.02 . 1 . . . . . . . . 6319 1 250 . 1 1 55 55 ARG HA H 1 4.45 0.02 . 1 . . . . . . . . 6319 1 251 . 1 1 55 55 ARG CA C 13 55.7 0.2 . 1 . . . . . . . . 6319 1 252 . 1 1 55 55 ARG CB C 13 30.8 0.2 . 1 . . . . . . . . 6319 1 253 . 1 1 55 55 ARG N N 15 124.3 0.1 . 1 . . . . . . . . 6319 1 254 . 1 1 56 56 LYS H H 1 8.51 0.02 . 1 . . . . . . . . 6319 1 255 . 1 1 56 56 LYS HA H 1 4.43 0.02 . 1 . . . . . . . . 6319 1 256 . 1 1 56 56 LYS N N 15 124.8 0.1 . 1 . . . . . . . . 6319 1 257 . 1 1 58 58 ARG H H 1 8.27 0.02 . 1 . . . . . . . . 6319 1 258 . 1 1 58 58 ARG HA H 1 4.32 0.02 . 1 . . . . . . . . 6319 1 259 . 1 1 58 58 ARG CA C 13 56.7 0.2 . 1 . . . . . . . . 6319 1 260 . 1 1 58 58 ARG CB C 13 31.6 0.2 . 1 . . . . . . . . 6319 1 261 . 1 1 58 58 ARG N N 15 124.3 0.1 . 1 . . . . . . . . 6319 1 262 . 1 1 59 59 VAL H H 1 8.50 0.02 . 1 . . . . . . . . 6319 1 263 . 1 1 59 59 VAL HA H 1 4.15 0.02 . 1 . . . . . . . . 6319 1 264 . 1 1 59 59 VAL N N 15 129.0 0.1 . 1 . . . . . . . . 6319 1 265 . 1 1 60 60 LEU H H 1 7.97 0.02 . 1 . . . . . . . . 6319 1 266 . 1 1 60 60 LEU HA H 1 4.20 0.02 . 1 . . . . . . . . 6319 1 267 . 1 1 60 60 LEU N N 15 125.6 0.1 . 1 . . . . . . . . 6319 1 268 . 1 1 61 61 PHE H H 1 9.32 0.02 . 1 . . . . . . . . 6319 1 269 . 1 1 61 61 PHE HA H 1 5.05 0.02 . 1 . . . . . . . . 6319 1 270 . 1 1 61 61 PHE N N 15 125.3 0.1 . 1 . . . . . . . . 6319 1 271 . 1 1 62 62 SER H H 1 9.32 0.02 . 1 . . . . . . . . 6319 1 272 . 1 1 62 62 SER HA H 1 4.46 0.02 . 1 . . . . . . . . 6319 1 273 . 1 1 62 62 SER N N 15 119.7 0.1 . 1 . . . . . . . . 6319 1 274 . 1 1 63 63 GLN H H 1 8.97 0.02 . 1 . . . . . . . . 6319 1 275 . 1 1 63 63 GLN HA H 1 4.02 0.02 . 1 . . . . . . . . 6319 1 276 . 1 1 63 63 GLN N N 15 121.4 0.1 . 1 . . . . . . . . 6319 1 277 . 1 1 64 64 ALA H H 1 8.26 0.02 . 1 . . . . . . . . 6319 1 278 . 1 1 64 64 ALA N N 15 121.1 0.1 . 1 . . . . . . . . 6319 1 279 . 1 1 65 65 GLN H H 1 7.74 0.02 . 1 . . . . . . . . 6319 1 280 . 1 1 65 65 GLN HA H 1 3.86 0.02 . 1 . . . . . . . . 6319 1 281 . 1 1 65 65 GLN N N 15 118.2 0.1 . 1 . . . . . . . . 6319 1 282 . 1 1 66 66 VAL H H 1 8.49 0.02 . 1 . . . . . . . . 6319 1 283 . 1 1 66 66 VAL N N 15 118.4 0.1 . 1 . . . . . . . . 6319 1 284 . 1 1 67 67 TYR H H 1 8.49 0.02 . 1 . . . . . . . . 6319 1 285 . 1 1 67 67 TYR HA H 1 4.18 0.02 . 1 . . . . . . . . 6319 1 286 . 1 1 67 67 TYR N N 15 119.7 0.1 . 1 . . . . . . . . 6319 1 287 . 1 1 68 68 GLU H H 1 7.39 0.02 . 1 . . . . . . . . 6319 1 288 . 1 1 68 68 GLU HA H 1 4.13 0.02 . 1 . . . . . . . . 6319 1 289 . 1 1 68 68 GLU N N 15 118.4 0.1 . 1 . . . . . . . . 6319 1 290 . 1 1 69 69 LEU H H 1 8.05 0.02 . 1 . . . . . . . . 6319 1 291 . 1 1 69 69 LEU N N 15 124.3 0.1 . 1 . . . . . . . . 6319 1 292 . 1 1 70 70 GLU H H 1 8.58 0.02 . 1 . . . . . . . . 6319 1 293 . 1 1 70 70 GLU N N 15 118.7 0.1 . 1 . . . . . . . . 6319 1 294 . 1 1 71 71 ARG H H 1 8.09 0.02 . 1 . . . . . . . . 6319 1 295 . 1 1 71 71 ARG HA H 1 3.87 0.02 . 1 . . . . . . . . 6319 1 296 . 1 1 71 71 ARG N N 15 120.9 0.1 . 1 . . . . . . . . 6319 1 297 . 1 1 72 72 ARG H H 1 7.97 0.02 . 1 . . . . . . . . 6319 1 298 . 1 1 72 72 ARG HA H 1 4.24 0.02 . 1 . . . . . . . . 6319 1 299 . 1 1 72 72 ARG N N 15 119.9 0.1 . 1 . . . . . . . . 6319 1 300 . 1 1 73 73 PHE H H 1 8.95 0.02 . 1 . . . . . . . . 6319 1 301 . 1 1 73 73 PHE HA H 1 4.77 0.02 . 1 . . . . . . . . 6319 1 302 . 1 1 73 73 PHE N N 15 123.4 0.1 . 1 . . . . . . . . 6319 1 303 . 1 1 74 74 LYS H H 1 7.81 0.02 . 1 . . . . . . . . 6319 1 304 . 1 1 74 74 LYS HA H 1 3.89 0.02 . 1 . . . . . . . . 6319 1 305 . 1 1 74 74 LYS N N 15 115.5 0.1 . 1 . . . . . . . . 6319 1 306 . 1 1 75 75 GLN H H 1 7.48 0.02 . 1 . . . . . . . . 6319 1 307 . 1 1 75 75 GLN HA H 1 4.30 0.02 . 1 . . . . . . . . 6319 1 308 . 1 1 75 75 GLN N N 15 116.7 0.1 . 1 . . . . . . . . 6319 1 309 . 1 1 76 76 GLN H H 1 8.52 0.02 . 1 . . . . . . . . 6319 1 310 . 1 1 76 76 GLN HA H 1 4.49 0.02 . 1 . . . . . . . . 6319 1 311 . 1 1 76 76 GLN N N 15 120.9 0.1 . 1 . . . . . . . . 6319 1 312 . 1 1 77 77 ARG H H 1 8.16 0.02 . 1 . . . . . . . . 6319 1 313 . 1 1 77 77 ARG HA H 1 3.93 0.02 . 1 . . . . . . . . 6319 1 314 . 1 1 77 77 ARG N N 15 119.7 0.1 . 1 . . . . . . . . 6319 1 315 . 1 1 78 78 TYR H H 1 7.54 0.02 . 1 . . . . . . . . 6319 1 316 . 1 1 78 78 TYR N N 15 114.0 0.1 . 1 . . . . . . . . 6319 1 317 . 1 1 80 80 SER H H 1 9.00 0.02 . 1 . . . . . . . . 6319 1 318 . 1 1 80 80 SER N N 15 120.9 0.1 . 1 . . . . . . . . 6319 1 319 . 1 1 81 81 ALA H H 1 9.21 0.02 . 1 . . . . . . . . 6319 1 320 . 1 1 81 81 ALA N N 15 124.3 0.1 . 1 . . . . . . . . 6319 1 321 . 1 1 83 83 GLU H H 1 7.08 0.02 . 1 . . . . . . . . 6319 1 322 . 1 1 83 83 GLU HA H 1 4.03 0.02 . 1 . . . . . . . . 6319 1 323 . 1 1 83 83 GLU N N 15 117.4 0.1 . 1 . . . . . . . . 6319 1 324 . 1 1 84 84 ARG H H 1 8.67 0.02 . 1 . . . . . . . . 6319 1 325 . 1 1 84 84 ARG HA H 1 3.81 0.02 . 1 . . . . . . . . 6319 1 326 . 1 1 84 84 ARG N N 15 122.4 0.1 . 1 . . . . . . . . 6319 1 327 . 1 1 85 85 ASP H H 1 8.50 0.02 . 1 . . . . . . . . 6319 1 328 . 1 1 85 85 ASP HA H 1 4.35 0.02 . 1 . . . . . . . . 6319 1 329 . 1 1 85 85 ASP N N 15 120.4 0.1 . 1 . . . . . . . . 6319 1 330 . 1 1 86 86 GLN H H 1 7.85 0.02 . 1 . . . . . . . . 6319 1 331 . 1 1 86 86 GLN HA H 1 4.09 0.02 . 1 . . . . . . . . 6319 1 332 . 1 1 86 86 GLN N N 15 120.9 0.1 . 1 . . . . . . . . 6319 1 333 . 1 1 87 87 LEU H H 1 7.92 0.02 . 1 . . . . . . . . 6319 1 334 . 1 1 87 87 LEU HA H 1 4.12 0.02 . 1 . . . . . . . . 6319 1 335 . 1 1 87 87 LEU N N 15 122.1 0.1 . 1 . . . . . . . . 6319 1 336 . 1 1 88 88 ALA H H 1 8.63 0.02 . 1 . . . . . . . . 6319 1 337 . 1 1 88 88 ALA HA H 1 3.58 0.02 . 1 . . . . . . . . 6319 1 338 . 1 1 88 88 ALA N N 15 121.1 0.1 . 1 . . . . . . . . 6319 1 339 . 1 1 89 89 SER H H 1 7.60 0.02 . 1 . . . . . . . . 6319 1 340 . 1 1 89 89 SER HA H 1 4.29 0.02 . 1 . . . . . . . . 6319 1 341 . 1 1 89 89 SER N N 15 111.5 0.1 . 1 . . . . . . . . 6319 1 342 . 1 1 90 90 VAL H H 1 7.64 0.02 . 1 . . . . . . . . 6319 1 343 . 1 1 90 90 VAL HA H 1 3.91 0.02 . 1 . . . . . . . . 6319 1 344 . 1 1 90 90 VAL N N 15 120.6 0.1 . 1 . . . . . . . . 6319 1 345 . 1 1 91 91 LEU H H 1 7.93 0.02 . 1 . . . . . . . . 6319 1 346 . 1 1 91 91 LEU N N 15 117.9 0.1 . 1 . . . . . . . . 6319 1 347 . 1 1 92 92 LYS H H 1 8.01 0.02 . 1 . . . . . . . . 6319 1 348 . 1 1 92 92 LYS HA H 1 3.96 0.02 . 1 . . . . . . . . 6319 1 349 . 1 1 92 92 LYS N N 15 116.5 0.1 . 1 . . . . . . . . 6319 1 350 . 1 1 93 93 LEU H H 1 7.86 0.02 . 1 . . . . . . . . 6319 1 351 . 1 1 93 93 LEU HA H 1 4.82 0.02 . 1 . . . . . . . . 6319 1 352 . 1 1 93 93 LEU N N 15 120.4 0.1 . 1 . . . . . . . . 6319 1 353 . 1 1 94 94 THR H H 1 8.84 0.02 . 1 . . . . . . . . 6319 1 354 . 1 1 94 94 THR HA H 1 4.83 0.02 . 1 . . . . . . . . 6319 1 355 . 1 1 94 94 THR N N 15 110.0 0.1 . 1 . . . . . . . . 6319 1 356 . 1 1 95 95 SER H H 1 9.18 0.02 . 1 . . . . . . . . 6319 1 357 . 1 1 95 95 SER N N 15 118.2 0.1 . 1 . . . . . . . . 6319 1 358 . 1 1 96 96 THR H H 1 8.14 0.02 . 1 . . . . . . . . 6319 1 359 . 1 1 96 96 THR HA H 1 3.97 0.02 . 1 . . . . . . . . 6319 1 360 . 1 1 96 96 THR N N 15 118.4 0.1 . 1 . . . . . . . . 6319 1 361 . 1 1 97 97 GLN H H 1 8.18 0.02 . 1 . . . . . . . . 6319 1 362 . 1 1 97 97 GLN N N 15 122.1 0.1 . 1 . . . . . . . . 6319 1 363 . 1 1 98 98 VAL H H 1 7.89 0.02 . 1 . . . . . . . . 6319 1 364 . 1 1 98 98 VAL HA H 1 3.73 0.02 . 1 . . . . . . . . 6319 1 365 . 1 1 98 98 VAL N N 15 119.7 0.1 . 1 . . . . . . . . 6319 1 366 . 1 1 99 99 LYS H H 1 8.48 0.02 . 1 . . . . . . . . 6319 1 367 . 1 1 99 99 LYS N N 15 121.4 0.1 . 1 . . . . . . . . 6319 1 368 . 1 1 100 100 ILE H H 1 8.99 0.02 . 1 . . . . . . . . 6319 1 369 . 1 1 100 100 ILE N N 15 121.6 0.1 . 1 . . . . . . . . 6319 1 370 . 1 1 101 101 TRP H H 1 8.75 0.02 . 1 . . . . . . . . 6319 1 371 . 1 1 101 101 TRP N N 15 125.3 0.1 . 1 . . . . . . . . 6319 1 372 . 1 1 102 102 PHE H H 1 8.75 0.02 . 1 . . . . . . . . 6319 1 373 . 1 1 102 102 PHE HA H 1 3.90 0.02 . 1 . . . . . . . . 6319 1 374 . 1 1 102 102 PHE N N 15 119.7 0.1 . 1 . . . . . . . . 6319 1 375 . 1 1 103 103 GLN H H 1 7.99 0.02 . 1 . . . . . . . . 6319 1 376 . 1 1 103 103 GLN HA H 1 3.97 0.02 . 1 . . . . . . . . 6319 1 377 . 1 1 103 103 GLN N N 15 120.4 0.1 . 1 . . . . . . . . 6319 1 378 . 1 1 104 104 ASN H H 1 9.20 0.02 . 1 . . . . . . . . 6319 1 379 . 1 1 104 104 ASN N N 15 120.4 0.1 . 1 . . . . . . . . 6319 1 380 . 1 1 105 105 ARG H H 1 8.62 0.02 . 1 . . . . . . . . 6319 1 381 . 1 1 105 105 ARG N N 15 124.3 0.1 . 1 . . . . . . . . 6319 1 382 . 1 1 106 106 ARG H H 1 8.26 0.02 . 1 . . . . . . . . 6319 1 383 . 1 1 106 106 ARG HA H 1 4.07 0.02 . 1 . . . . . . . . 6319 1 384 . 1 1 106 106 ARG N N 15 119.4 0.1 . 1 . . . . . . . . 6319 1 385 . 1 1 107 107 TYR H H 1 7.48 0.02 . 1 . . . . . . . . 6319 1 386 . 1 1 107 107 TYR N N 15 121.6 0.1 . 1 . . . . . . . . 6319 1 387 . 1 1 108 108 LYS H H 1 8.10 0.02 . 1 . . . . . . . . 6319 1 388 . 1 1 108 108 LYS HA H 1 3.78 0.02 . 1 . . . . . . . . 6319 1 389 . 1 1 108 108 LYS N N 15 119.9 0.1 . 1 . . . . . . . . 6319 1 390 . 1 1 109 109 CYS H H 1 7.99 0.02 . 1 . . . . . . . . 6319 1 391 . 1 1 109 109 CYS HA H 1 4.21 0.02 . 1 . . . . . . . . 6319 1 392 . 1 1 109 109 CYS N N 15 116.9 0.1 . 1 . . . . . . . . 6319 1 393 . 1 1 110 110 LYS H H 1 7.70 0.02 . 1 . . . . . . . . 6319 1 394 . 1 1 110 110 LYS HA H 1 4.09 0.02 . 1 . . . . . . . . 6319 1 395 . 1 1 110 110 LYS N N 15 120.6 0.1 . 1 . . . . . . . . 6319 1 396 . 1 1 111 111 ARG H H 1 7.71 0.02 . 1 . . . . . . . . 6319 1 397 . 1 1 111 111 ARG HA H 1 4.09 0.02 . 1 . . . . . . . . 6319 1 398 . 1 1 111 111 ARG N N 15 119.4 0.1 . 1 . . . . . . . . 6319 1 399 . 1 1 112 112 GLN H H 1 7.79 0.02 . 1 . . . . . . . . 6319 1 400 . 1 1 112 112 GLN HA H 1 4.25 0.02 . 1 . . . . . . . . 6319 1 401 . 1 1 112 112 GLN CA C 13 54.3 0.2 . 1 . . . . . . . . 6319 1 402 . 1 1 112 112 GLN CB C 13 29.0 0.2 . 1 . . . . . . . . 6319 1 403 . 1 1 112 112 GLN N N 15 119.4 0.1 . 1 . . . . . . . . 6319 1 404 . 1 1 113 113 ARG H H 1 8.02 0.02 . 1 . . . . . . . . 6319 1 405 . 1 1 113 113 ARG HA H 1 4.25 0.02 . 1 . . . . . . . . 6319 1 406 . 1 1 113 113 ARG CA C 13 56.7 0.2 . 1 . . . . . . . . 6319 1 407 . 1 1 113 113 ARG CB C 13 29.8 0.2 . 1 . . . . . . . . 6319 1 408 . 1 1 113 113 ARG N N 15 121.3 0.1 . 1 . . . . . . . . 6319 1 409 . 1 1 114 114 GLN H H 1 8.32 0.02 . 1 . . . . . . . . 6319 1 410 . 1 1 114 114 GLN HA H 1 4.30 0.02 . 1 . . . . . . . . 6319 1 411 . 1 1 114 114 GLN CA C 13 56.3 0.2 . 1 . . . . . . . . 6319 1 412 . 1 1 114 114 GLN CB C 13 29.1 0.2 . 1 . . . . . . . . 6319 1 413 . 1 1 114 114 GLN N N 15 121.1 0.1 . 1 . . . . . . . . 6319 1 414 . 1 1 115 115 ASP H H 1 8.32 0.02 . 1 . . . . . . . . 6319 1 415 . 1 1 115 115 ASP HA H 1 4.58 0.02 . 1 . . . . . . . . 6319 1 416 . 1 1 115 115 ASP CA C 13 54.5 0.2 . 1 . . . . . . . . 6319 1 417 . 1 1 115 115 ASP CB C 13 40.4 0.2 . 1 . . . . . . . . 6319 1 418 . 1 1 115 115 ASP N N 15 121.1 0.1 . 1 . . . . . . . . 6319 1 419 . 1 1 116 116 GLN H H 1 8.26 0.02 . 1 . . . . . . . . 6319 1 420 . 1 1 116 116 GLN HA H 1 4.35 0.02 . 1 . . . . . . . . 6319 1 421 . 1 1 116 116 GLN CA C 13 56.0 0.2 . 1 . . . . . . . . 6319 1 422 . 1 1 116 116 GLN CB C 13 29.1 0.2 . 1 . . . . . . . . 6319 1 423 . 1 1 116 116 GLN N N 15 121.0 0.1 . 1 . . . . . . . . 6319 1 424 . 1 1 117 117 THR H H 1 8.17 0.02 . 1 . . . . . . . . 6319 1 425 . 1 1 117 117 THR HA H 1 4.22 0.02 . 1 . . . . . . . . 6319 1 426 . 1 1 117 117 THR CA C 13 62.6 0.2 . 1 . . . . . . . . 6319 1 427 . 1 1 117 117 THR CB C 13 69.4 0.2 . 1 . . . . . . . . 6319 1 428 . 1 1 117 117 THR N N 15 115.7 0.1 . 1 . . . . . . . . 6319 1 429 . 1 1 118 118 LEU H H 1 8.07 0.02 . 1 . . . . . . . . 6319 1 430 . 1 1 118 118 LEU HA H 1 4.27 0.02 . 1 . . . . . . . . 6319 1 431 . 1 1 118 118 LEU CA C 13 55.4 0.2 . 1 . . . . . . . . 6319 1 432 . 1 1 118 118 LEU CB C 13 42.1 0.2 . 1 . . . . . . . . 6319 1 433 . 1 1 118 118 LEU N N 15 124.4 0.1 . 1 . . . . . . . . 6319 1 434 . 1 1 119 119 GLU H H 1 8.21 0.02 . 1 . . . . . . . . 6319 1 435 . 1 1 119 119 GLU HA H 1 4.30 0.02 . 1 . . . . . . . . 6319 1 436 . 1 1 119 119 GLU CA C 13 56.3 0.2 . 1 . . . . . . . . 6319 1 437 . 1 1 119 119 GLU CB C 13 29.4 0.2 . 1 . . . . . . . . 6319 1 438 . 1 1 119 119 GLU N N 15 121.6 0.1 . 1 . . . . . . . . 6319 1 439 . 1 1 120 120 LEU H H 1 8.05 0.02 . 1 . . . . . . . . 6319 1 440 . 1 1 120 120 LEU HA H 1 4.36 0.02 . 1 . . . . . . . . 6319 1 441 . 1 1 120 120 LEU CA C 13 54.9 0.2 . 1 . . . . . . . . 6319 1 442 . 1 1 120 120 LEU CB C 13 42.2 0.2 . 1 . . . . . . . . 6319 1 443 . 1 1 120 120 LEU N N 15 123.1 0.1 . 1 . . . . . . . . 6319 1 444 . 1 1 121 121 VAL H H 1 7.95 0.02 . 1 . . . . . . . . 6319 1 445 . 1 1 121 121 VAL HA H 1 4.11 0.02 . 1 . . . . . . . . 6319 1 446 . 1 1 121 121 VAL CA C 13 62.3 0.2 . 1 . . . . . . . . 6319 1 447 . 1 1 121 121 VAL CB C 13 32.5 0.2 . 1 . . . . . . . . 6319 1 448 . 1 1 121 121 VAL N N 15 120.9 0.1 . 1 . . . . . . . . 6319 1 449 . 1 1 122 122 GLY H H 1 8.33 0.02 . 1 . . . . . . . . 6319 1 450 . 1 1 122 122 GLY HA2 H 1 3.93 0.02 . 1 . . . . . . . . 6319 1 451 . 1 1 122 122 GLY HA3 H 1 3.93 0.02 . 1 . . . . . . . . 6319 1 452 . 1 1 122 122 GLY CA C 13 44.8 0.2 . 1 . . . . . . . . 6319 1 453 . 1 1 122 122 GLY N N 15 112.7 0.1 . 1 . . . . . . . . 6319 1 454 . 1 1 123 123 LEU H H 1 7.92 0.02 . 1 . . . . . . . . 6319 1 455 . 1 1 123 123 LEU CA C 13 52.7 0.2 . 1 . . . . . . . . 6319 1 456 . 1 1 123 123 LEU CB C 13 41.5 0.2 . 1 . . . . . . . . 6319 1 457 . 1 1 123 123 LEU N N 15 123.5 0.1 . 1 . . . . . . . . 6319 1 458 . 1 1 130 130 PRO HA H 1 4.36 0.02 . 1 . . . . . . . . 6319 1 459 . 1 1 130 130 PRO CA C 13 62.6 0.2 . 1 . . . . . . . . 6319 1 460 . 1 1 130 130 PRO CB C 13 31.7 0.2 . 1 . . . . . . . . 6319 1 461 . 1 1 131 131 ALA H H 1 8.25 0.02 . 1 . . . . . . . . 6319 1 462 . 1 1 131 131 ALA HA H 1 4.24 0.02 . 1 . . . . . . . . 6319 1 463 . 1 1 131 131 ALA CA C 13 52.2 0.2 . 1 . . . . . . . . 6319 1 464 . 1 1 131 131 ALA CB C 13 19.1 0.2 . 1 . . . . . . . . 6319 1 465 . 1 1 131 131 ALA N N 15 124.5 0.1 . 1 . . . . . . . . 6319 1 466 . 1 1 132 132 ARG H H 1 8.18 0.02 . 1 . . . . . . . . 6319 1 467 . 1 1 132 132 ARG HA H 1 4.26 0.02 . 1 . . . . . . . . 6319 1 468 . 1 1 132 132 ARG CA C 13 55.6 0.2 . 1 . . . . . . . . 6319 1 469 . 1 1 132 132 ARG CB C 13 30.8 0.2 . 1 . . . . . . . . 6319 1 470 . 1 1 132 132 ARG N N 15 120.7 0.1 . 1 . . . . . . . . 6319 1 471 . 1 1 133 133 ARG H H 1 8.29 0.02 . 1 . . . . . . . . 6319 1 472 . 1 1 133 133 ARG HA H 1 4.30 0.02 . 1 . . . . . . . . 6319 1 473 . 1 1 133 133 ARG CA C 13 55.7 0.2 . 1 . . . . . . . . 6319 1 474 . 1 1 133 133 ARG CB C 13 30.6 0.2 . 1 . . . . . . . . 6319 1 475 . 1 1 133 133 ARG N N 15 123.5 0.1 . 1 . . . . . . . . 6319 1 476 . 1 1 134 134 ILE H H 1 8.12 0.02 . 1 . . . . . . . . 6319 1 477 . 1 1 134 134 ILE HA H 1 4.33 0.02 . 1 . . . . . . . . 6319 1 478 . 1 1 134 134 ILE CA C 13 60.5 0.2 . 1 . . . . . . . . 6319 1 479 . 1 1 134 134 ILE CB C 13 38.6 0.2 . 1 . . . . . . . . 6319 1 480 . 1 1 134 134 ILE N N 15 123.4 0.1 . 1 . . . . . . . . 6319 1 481 . 1 1 135 135 ALA H H 1 8.31 0.02 . 1 . . . . . . . . 6319 1 482 . 1 1 135 135 ALA HA H 1 4.14 0.02 . 1 . . . . . . . . 6319 1 483 . 1 1 135 135 ALA CA C 13 52.0 0.2 . 1 . . . . . . . . 6319 1 484 . 1 1 135 135 ALA CB C 13 19.3 0.2 . 1 . . . . . . . . 6319 1 485 . 1 1 135 135 ALA N N 15 129.2 0.1 . 1 . . . . . . . . 6319 1 486 . 1 1 136 136 VAL H H 1 7.98 0.02 . 1 . . . . . . . . 6319 1 487 . 1 1 136 136 VAL HA H 1 4.35 0.02 . 1 . . . . . . . . 6319 1 488 . 1 1 136 136 VAL CA C 13 59.6 0.2 . 1 . . . . . . . . 6319 1 489 . 1 1 136 136 VAL CB C 13 32.3 0.2 . 1 . . . . . . . . 6319 1 490 . 1 1 136 136 VAL N N 15 121.8 0.1 . 1 . . . . . . . . 6319 1 491 . 1 1 137 137 PRO HA H 1 4.40 0.02 . 1 . . . . . . . . 6319 1 492 . 1 1 137 137 PRO CA C 13 62.8 0.2 . 1 . . . . . . . . 6319 1 493 . 1 1 137 137 PRO CB C 13 30.3 0.2 . 1 . . . . . . . . 6319 1 494 . 1 1 138 138 VAL H H 1 8.09 0.02 . 1 . . . . . . . . 6319 1 495 . 1 1 138 138 VAL HA H 1 4.04 0.02 . 1 . . . . . . . . 6319 1 496 . 1 1 138 138 VAL CA C 13 62.2 0.2 . 1 . . . . . . . . 6319 1 497 . 1 1 138 138 VAL CB C 13 30.3 0.2 . 1 . . . . . . . . 6319 1 498 . 1 1 138 138 VAL N N 15 121.4 0.1 . 1 . . . . . . . . 6319 1 499 . 1 1 139 139 LEU H H 1 8.24 0.02 . 1 . . . . . . . . 6319 1 500 . 1 1 139 139 LEU HA H 1 4.39 0.02 . 1 . . . . . . . . 6319 1 501 . 1 1 139 139 LEU CA C 13 54.8 0.2 . 1 . . . . . . . . 6319 1 502 . 1 1 139 139 LEU CB C 13 42.3 0.2 . 1 . . . . . . . . 6319 1 503 . 1 1 139 139 LEU N N 15 127.1 0.1 . 1 . . . . . . . . 6319 1 504 . 1 1 140 140 VAL H H 1 8.08 0.02 . 1 . . . . . . . . 6319 1 505 . 1 1 140 140 VAL HA H 1 4.14 0.02 . 1 . . . . . . . . 6319 1 506 . 1 1 140 140 VAL CA C 13 62.0 0.2 . 1 . . . . . . . . 6319 1 507 . 1 1 140 140 VAL CB C 13 32.6 0.2 . 1 . . . . . . . . 6319 1 508 . 1 1 140 140 VAL N N 15 122.9 0.1 . 1 . . . . . . . . 6319 1 509 . 1 1 141 141 ARG H H 1 8.42 0.02 . 1 . . . . . . . . 6319 1 510 . 1 1 141 141 ARG HA H 1 4.39 0.02 . 1 . . . . . . . . 6319 1 511 . 1 1 141 141 ARG CA C 13 56.7 0.2 . 1 . . . . . . . . 6319 1 512 . 1 1 141 141 ARG CB C 13 31.0 0.2 . 1 . . . . . . . . 6319 1 513 . 1 1 141 141 ARG N N 15 125.8 0.1 . 1 . . . . . . . . 6319 1 514 . 1 1 142 142 ASP H H 1 8.47 0.02 . 1 . . . . . . . . 6319 1 515 . 1 1 142 142 ASP HA H 1 4.52 0.02 . 1 . . . . . . . . 6319 1 516 . 1 1 142 142 ASP CA C 13 54.2 0.2 . 1 . . . . . . . . 6319 1 517 . 1 1 142 142 ASP CB C 13 40.5 0.2 . 1 . . . . . . . . 6319 1 518 . 1 1 142 142 ASP N N 15 122.9 0.1 . 1 . . . . . . . . 6319 1 519 . 1 1 143 143 GLY H H 1 8.26 0.02 . 1 . . . . . . . . 6319 1 520 . 1 1 143 143 GLY HA2 H 1 3.87 0.02 . 1 . . . . . . . . 6319 1 521 . 1 1 143 143 GLY HA3 H 1 3.87 0.02 . 1 . . . . . . . . 6319 1 522 . 1 1 143 143 GLY CA C 13 45.1 0.2 . 1 . . . . . . . . 6319 1 523 . 1 1 143 143 GLY N N 15 108.5 0.1 . 1 . . . . . . . . 6319 1 524 . 1 1 144 144 LYS H H 1 7.98 0.02 . 1 . . . . . . . . 6319 1 525 . 1 1 144 144 LYS CA C 13 53.8 0.2 . 1 . . . . . . . . 6319 1 526 . 1 1 144 144 LYS CB C 13 32.5 0.2 . 1 . . . . . . . . 6319 1 527 . 1 1 144 144 LYS N N 15 122.4 0.1 . 1 . . . . . . . . 6319 1 528 . 1 1 145 145 PRO HA H 1 4.48 0.02 . 1 . . . . . . . . 6319 1 529 . 1 1 145 145 PRO CA C 13 62.8 0.2 . 1 . . . . . . . . 6319 1 530 . 1 1 145 145 PRO CB C 13 31.9 0.2 . 1 . . . . . . . . 6319 1 531 . 1 1 146 146 CYS H H 1 8.49 0.02 . 1 . . . . . . . . 6319 1 532 . 1 1 146 146 CYS HA H 1 4.51 0.02 . 1 . . . . . . . . 6319 1 533 . 1 1 146 146 CYS CA C 13 58.1 0.2 . 1 . . . . . . . . 6319 1 534 . 1 1 146 146 CYS CB C 13 27.6 0.2 . 1 . . . . . . . . 6319 1 535 . 1 1 146 146 CYS N N 15 121.1 0.1 . 1 . . . . . . . . 6319 1 536 . 1 1 147 147 LEU H H 1 8.37 0.02 . 1 . . . . . . . . 6319 1 537 . 1 1 147 147 LEU HA H 1 4.38 0.02 . 1 . . . . . . . . 6319 1 538 . 1 1 147 147 LEU CA C 13 55.2 0.2 . 1 . . . . . . . . 6319 1 539 . 1 1 147 147 LEU CB C 13 42.1 0.2 . 1 . . . . . . . . 6319 1 540 . 1 1 147 147 LEU N N 15 125.6 0.1 . 1 . . . . . . . . 6319 1 541 . 1 1 148 148 GLY H H 1 8.32 0.02 . 1 . . . . . . . . 6319 1 542 . 1 1 148 148 GLY HA2 H 1 3.95 0.02 . 1 . . . . . . . . 6319 1 543 . 1 1 148 148 GLY HA3 H 1 3.95 0.02 . 1 . . . . . . . . 6319 1 544 . 1 1 148 148 GLY CA C 13 45.1 0.2 . 1 . . . . . . . . 6319 1 545 . 1 1 148 148 GLY N N 15 110.3 0.1 . 1 . . . . . . . . 6319 1 546 . 1 1 149 149 ASP H H 1 8.19 0.02 . 1 . . . . . . . . 6319 1 547 . 1 1 149 149 ASP CA C 13 54.0 0.2 . 1 . . . . . . . . 6319 1 548 . 1 1 149 149 ASP CB C 13 40.7 0.2 . 1 . . . . . . . . 6319 1 549 . 1 1 149 149 ASP N N 15 121.1 0.1 . 1 . . . . . . . . 6319 1 550 . 1 1 150 150 SER H H 1 8.16 0.02 . 1 . . . . . . . . 6319 1 551 . 1 1 150 150 SER HA H 1 4.45 0.02 . 1 . . . . . . . . 6319 1 552 . 1 1 150 150 SER CA C 13 58.0 0.2 . 1 . . . . . . . . 6319 1 553 . 1 1 150 150 SER CB C 13 63.8 0.2 . 1 . . . . . . . . 6319 1 554 . 1 1 150 150 SER N N 15 116.5 0.1 . 1 . . . . . . . . 6319 1 555 . 1 1 151 151 ALA H H 1 8.16 0.02 . 1 . . . . . . . . 6319 1 556 . 1 1 151 151 ALA CA C 13 50.3 0.2 . 1 . . . . . . . . 6319 1 557 . 1 1 151 151 ALA CB C 13 18.2 0.2 . 1 . . . . . . . . 6319 1 558 . 1 1 151 151 ALA N N 15 128.1 0.1 . 1 . . . . . . . . 6319 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 13 6319 1 1 9 6319 1 1 5 6319 1 1 1 6319 1 2 14 6319 1 2 10 6319 1 2 6 6319 1 2 2 6319 1 3 15 6319 1 3 11 6319 1 3 7 6319 1 3 3 6319 1 4 16 6319 1 4 12 6319 1 4 4 6319 1 4 8 6319 1 5 187 6319 1 5 182 6319 1 5 177 6319 1 5 172 6319 1 6 186 6319 1 6 181 6319 1 6 176 6319 1 7 188 6319 1 7 183 6319 1 7 178 6319 1 8 189 6319 1 8 184 6319 1 8 179 6319 1 9 190 6319 1 9 185 6319 1 9 180 6319 1 stop_ save_