data_1212 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Purification and characterization of a non-reconstitutable azurin, obtained by heterologous expression of the Pseudomonas aeruginosa azu gene in Escherichia coli ; _BMRB_accession_number 1212 _BMRB_flat_file_name bmr1212.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-04-13 _Entry_origination BMRB _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'van de Kamp' Mart . . 2 Hali Frits C. . 3 Rosato Nicola . . 4 'Finazzi Agro' Alessandro . . 5 Canters Gerard W. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 10 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-14 revision BMRB 'Complete natural source information' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-04-13 revision BMRB 'Link to the Protein Data Bank added' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; van de Kamp, Mart, Hali, Frits C., Rosato, Nicola, Finazzi Agro, Alessandro, Canters, Gerard W., "Purification and characterization of a non-reconstitutable azurin, obtained by heterologous expression of the Pseudomonas aeruginosa azu gene in Escherichia coli," Biochim. Biophys. Acta 1019, 283-292 (1990). ; _Citation_title ; Purification and characterization of a non-reconstitutable azurin, obtained by heterologous expression of the Pseudomonas aeruginosa azu gene in Escherichia coli ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'van de Kamp' Mart . . 2 Hali Frits C. . 3 Rosato Nicola . . 4 'Finazzi Agro' Alessandro . . 5 Canters Gerard W. . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta' _Journal_volume 1019 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 283 _Page_last 292 _Year 1990 _Details . save_ ################################## # Molecular system description # ################################## save_system_azurin _Saveframe_category molecular_system _Mol_system_name azurin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label azurin $azurin stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_azurin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common azurin _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; AECSVDIQGNDQMQFNTNAI TVDKSCKQFTVNLSHPGNLP KNVMGHNWVLSTAADMQGVV TDGMASGLDKDYLKPDDSRV IAHTKLIGSGEKDSVTFDVS KLKEGEQYMFFCTFPGHSAL MKGTLTLK ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 GLU 3 CYS 4 SER 5 VAL 6 ASP 7 ILE 8 GLN 9 GLY 10 ASN 11 ASP 12 GLN 13 MET 14 GLN 15 PHE 16 ASN 17 THR 18 ASN 19 ALA 20 ILE 21 THR 22 VAL 23 ASP 24 LYS 25 SER 26 CYS 27 LYS 28 GLN 29 PHE 30 THR 31 VAL 32 ASN 33 LEU 34 SER 35 HIS 36 PRO 37 GLY 38 ASN 39 LEU 40 PRO 41 LYS 42 ASN 43 VAL 44 MET 45 GLY 46 HIS 47 ASN 48 TRP 49 VAL 50 LEU 51 SER 52 THR 53 ALA 54 ALA 55 ASP 56 MET 57 GLN 58 GLY 59 VAL 60 VAL 61 THR 62 ASP 63 GLY 64 MET 65 ALA 66 SER 67 GLY 68 LEU 69 ASP 70 LYS 71 ASP 72 TYR 73 LEU 74 LYS 75 PRO 76 ASP 77 ASP 78 SER 79 ARG 80 VAL 81 ILE 82 ALA 83 HIS 84 THR 85 LYS 86 LEU 87 ILE 88 GLY 89 SER 90 GLY 91 GLU 92 LYS 93 ASP 94 SER 95 VAL 96 THR 97 PHE 98 ASP 99 VAL 100 SER 101 LYS 102 LEU 103 LYS 104 GLU 105 GLY 106 GLU 107 GLN 108 TYR 109 MET 110 PHE 111 PHE 112 CYS 113 THR 114 PHE 115 PRO 116 GLY 117 HIS 118 SER 119 ALA 120 LEU 121 MET 122 LYS 123 GLY 124 THR 125 LEU 126 THR 127 LEU 128 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 1210 azurin 100.00 128 100.00 100.00 3.30e-89 BMRB 1211 azurin 100.00 128 100.00 100.00 3.30e-89 BMRB 1213 azurin 100.00 128 100.00 100.00 3.30e-89 BMRB 1214 azurin 100.00 128 100.00 100.00 3.30e-89 BMRB 1215 azurin 100.00 128 100.00 100.00 3.30e-89 BMRB 1216 azurin 100.00 128 100.00 100.00 3.30e-89 BMRB 1217 azurin 100.00 128 100.00 100.00 3.30e-89 BMRB 1218 azurin 100.00 128 100.00 100.00 3.30e-89 BMRB 1219 azurin 100.00 128 100.00 100.00 3.30e-89 BMRB 18254 apo-azurin 100.00 128 100.00 100.00 3.30e-89 BMRB 4465 "P. Aeruginosa HIs117Gly azurin" 100.00 128 99.22 99.22 9.22e-88 PDB 1AG0 "Structure Of Cys 112 Asp Azurin From Pseudomonas Aeruginosa" 100.00 129 99.22 99.22 1.52e-87 PDB 1AZN "Crystal Structure Of The Azurin Mutant Phe114ala From Pseudomonas Aeruginosa At 2.6 Angstroms Resolution" 100.00 128 99.22 99.22 4.63e-88 PDB 1AZR "Crystal Structure Of Pseudomonas Aeruginosa Zinc Azurin Mutant Asp47asp At 2.4 Angstroms Resolution" 100.00 128 98.44 100.00 7.25e-88 PDB 1AZU "Structural Features Of Azurin At 2.7 Angstroms Resolution" 100.00 128 100.00 100.00 3.30e-89 PDB 1BEX "Structure Of Ruthenium-modified Pseudomonas Aeruginosa Azurin" 100.00 128 100.00 100.00 3.30e-89 PDB 1E5Y "Azurin From Pseudomonas Aeruginosa, Reduced Form, Ph 5.5" 100.00 128 100.00 100.00 3.30e-89 PDB 1E5Z "Azurin From Pseudomonas Aeruginosa, Reduced Form, Ph 9.0" 100.00 128 100.00 100.00 3.30e-89 PDB 1E65 "Azurin From Pseudomonas Aeruginosa, Apo Form" 100.00 128 100.00 100.00 3.30e-89 PDB 1E67 "Zn-azurin From Pseudomonas Aeruginosa" 100.00 128 100.00 100.00 3.30e-89 PDB 1ETJ "Azurin Mutant With Met 121 Replaced By Glu" 100.00 128 99.22 99.22 4.89e-88 PDB 1EZL "Crystal Structure Of The Disulphide Bond-Deficient Azurin Mutant C3aC26A: HOW IMPORTANT IS THE S-S Bond For Folding And Stabili" 100.00 128 98.44 98.44 3.73e-87 PDB 1GR7 "Crystal Structure Of The Double Mutant Cys3serSER100PRO From Pseudomonas Aeruginosa At 1.8 A Resolution" 100.00 128 97.66 97.66 6.81e-86 PDB 1I53 "Re(I)-Tricarbonly Diimine (Q107h)) Azurin" 100.00 128 97.66 98.44 1.03e-86 PDB 1ILS "X-Ray Crystal Structure The Two Site-Specific Mutants Ile7ser And Phe110ser Of Azurin From Pseudomonas Aeruginosa" 100.00 128 99.22 99.22 4.25e-88 PDB 1ILU "X-Ray Crystal Structure The Two Site-Specific Mutants Ile7ser And Phe110ser Of Azurin From Pseudomonas Aeruginosa" 100.00 128 99.22 99.22 5.58e-88 PDB 1JVL "Azurin Dimer, Covalently Crosslinked Through Bis- Maleimidomethylether" 100.00 128 99.22 99.22 1.09e-87 PDB 1JVO "Azurin Dimer, Crosslinked Via Disulfide Bridge" 100.00 128 99.22 99.22 1.09e-87 PDB 1JZE "Pseudomonas Aeruginosa Azurin Ru(Bpy)2(Im)(His83)" 100.00 128 100.00 100.00 3.30e-89 PDB 1JZF "Pseudomonas Aeruginosa Oxidized Azurin(Cu2+) Ru(Tpy)(Phen) (His83)" 100.00 128 100.00 100.00 3.30e-89 PDB 1JZG "Pseudomonas Aeruginosa Reduced Azurin (Cu1+) Ru(Tpy)(Phen) (His83)" 100.00 128 100.00 100.00 3.30e-89 PDB 1JZH "Pseudomonas Aeruginosa Azurin Ru(tpy)(bpy)(his83)" 100.00 128 100.00 100.00 3.30e-89 PDB 1JZI "Pseudomonas Aeruginosa Azurin Re(Phen)(Co)3(His83)" 100.00 128 100.00 100.00 3.30e-89 PDB 1JZJ "Pseudomonas Aeruginosa Azurin Os(Bpy)2(Im)(His83)" 100.00 128 100.00 100.00 3.30e-89 PDB 1NZR "Crystal Structure Of The Azurin Mutant Nickel-trp48met From Pseudomonas Aeruginosa At 2.2 Angstroms Resolution" 99.22 128 99.21 99.21 5.12e-87 PDB 1VLX "Structure Of Electron Transfer (cobalt-protein)" 100.00 128 100.00 100.00 3.30e-89 PDB 1XB3 "The D62cK74C DOUBLE MUTANT OF PSEUDOMONAS AERUGINOSA AZURIN" 100.00 128 97.66 97.66 3.32e-85 PDB 1XB6 "The K24r Mutant Of Pseudomonas Aeruginosa Azurin" 100.00 128 99.22 100.00 5.51e-89 PDB 1XB8 "Zn Substituted Form Of D62cK74C DOUBLE MUTANT OF PSEUDOMONAS Aeruginosa Azurin" 100.00 128 98.44 98.44 1.67e-86 PDB 2AZU "X-ray Crystal Structure Of The Two Site-specific Mutants His35*gln And His35*leu Of Azurin From Pseudomonas Aeruginosa" 100.00 128 98.44 99.22 2.84e-87 PDB 2FNW "Pseudomonas Aeruginosa E2qH83QM109H-Azurin Re(Phen)(Co)3" 100.00 128 97.66 98.44 2.07e-86 PDB 2GHZ "Crystal Structure Of Azurin Phe114pro Mutant" 100.00 128 99.22 99.22 1.40e-87 PDB 2GI0 "Crystal Structure Of Cu(I) Phe114pro Azurin Mutant" 100.00 128 99.22 99.22 1.40e-87 PDB 2I7S "Crystal Structure Of Re(Phen)(Co)3 (Thr124his)(His83gln) Azurin Cu(Ii) From Pseudomonas Aeruginosa" 100.00 128 97.66 98.44 1.61e-86 PDB 2IDF "P. Aeruginosa Azurin N42c/m64e Double Mutant, Bmme-linked Dimer" 100.00 128 98.44 98.44 1.05e-86 PDB 2IWE "Structure Of A Cavity Mutant (H117g) Of Pseudomonas Aeruginosa Azurin" 100.00 128 99.22 99.22 9.22e-88 PDB 2OJ1 "Disulfide-Linked Dimer Of Azurin N42cM64E DOUBLE MUTANT" 100.00 128 98.44 98.44 1.05e-86 PDB 2TSA "Azurin Mutant M121a" 100.00 128 99.22 99.22 2.65e-88 PDB 2TSB "Azurin Mutant M121a-Azide" 100.00 128 99.22 99.22 2.65e-88 PDB 3AZU "X-ray Crystal Structure Of The Two Site-specific Mutants His35gln And His35leu Of Azurin From Pseudomonas Aeruginosa" 100.00 128 98.44 99.22 1.12e-87 PDB 3FPY "Azurin C112dM121L" 100.00 128 98.44 99.22 5.35e-87 PDB 3FQ1 "Azurin C112dM121I" 100.00 128 98.44 99.22 6.44e-87 PDB 3FQ2 "Azurin C112dM121F" 100.00 128 98.44 98.44 1.14e-86 PDB 3FQY "Azurin C112d" 100.00 128 99.22 99.22 1.52e-87 PDB 3IBO "Pseudomonas Aeruginosa E2qH83QT126H-Azurin Re(Phen)(Co)3" 100.00 128 97.66 98.44 1.61e-86 PDB 3IN0 "Crystal Structure Of The F114pM121Q VARIANT OF PSEUDOMONAS Aeruginosa Azurin In The Cu(Ii) State" 100.00 128 98.44 98.44 1.02e-86 PDB 3IN2 "Crystal Structure Of The N47sM121L VARIANT OF PSEUDOMONAS Aeruginosa Azurin In The Cu(Ii) State" 100.00 128 98.44 100.00 5.76e-88 PDB 3JT2 "Cu(Ii) N47sM121L VARIANT OF PSEUDOMONAS AERUGINOSA AZURIN" 100.00 128 98.44 100.00 5.76e-88 PDB 3JTB "Cu(Ii) N47sF114N VARIANT OF PSEUDOMONAS AERUGINOSA AZURIN" 100.00 128 98.44 99.22 4.59e-87 PDB 3N2J "Azurin H117g, Oxidized Form" 100.00 128 99.22 99.22 9.22e-88 PDB 3NP3 "C112dM121E PSEUDOMONAS AERUGINOSA AZURIN" 100.00 128 98.44 98.44 2.34e-86 PDB 3NP4 "C112dM121E PSEUDOMONAS AERUGINOSA AZURIN" 100.00 128 98.44 98.44 2.34e-86 PDB 3OQR "C112dM121E AZURIN, PH 10.0" 100.00 128 98.44 98.44 2.34e-86 PDB 3UGE "Silver Metallated Pseudomonas Aeruginosa Azurin At 1.70 A" 100.00 128 100.00 100.00 3.30e-89 PDB 4AZU "Crystal Structure Analysis Of Oxidized Pseudomonas Aeruginosa Azurin At Ph 5.5 And Ph 9.0. A Ph-Induced Conformational Transiti" 100.00 128 100.00 100.00 3.30e-89 PDB 4BWW "Crystal Structure Of Spin Labelled Azurin T21r1" 100.00 131 99.22 99.22 2.13e-88 PDB 4HZ1 "Crystal Structure Of Pseudomonas Aeruginosa Azurin With Iron(Ii) At The Copper-Binding Site." 100.00 128 100.00 100.00 3.30e-89 PDB 4JKN "Mercury Metallated Pseudomonas Aeruginosa Azurin At 1.54 A" 100.00 128 100.00 100.00 3.30e-89 PDB 4KO6 "Investigating The Functional Significance Of The Interlocked Pair Structural Determinants In Pseudomonas Aeruginosa Azurin (v31" 100.00 128 97.66 99.22 2.36e-87 PDB 4KO7 "Investigating The Functional Significance Of The Interlocked Pair Structural Determinants In Pseudomonas Aeruginosa Azurin (v31" 100.00 128 97.66 100.00 1.04e-87 PDB 4KO9 "Investigating The Functional Significance Of The Interlocked Pair Structural Determinants In Pseudomonas Aeruginosa Azurin (v95" 100.00 128 98.44 100.00 2.63e-88 PDB 4KOB "Investigating The Functional Significance Of The Interlocked Pair Structural Determinants In Pseudomonas Aeruginosa Azurin (v31" 100.00 128 98.44 100.00 6.78e-89 PDB 4KOC "Investigating The Functional Significance Of The Interlocked Pair Structural Determinants In Pseudomonas Aeruginosa Azurin (v31" 100.00 128 97.66 100.00 3.72e-88 PDB 4MFH "Crystal Structure Of M121g Azurin" 100.00 128 99.22 99.22 8.09e-88 PDB 4QKT "Azurin Mutant M121em44k With Copper" 100.00 128 98.44 98.44 5.41e-87 PDB 4QLW "Azurin Mutant M121e With Iron" 100.00 128 99.22 99.22 4.89e-88 PDB 5AZU "Crystal Structure Analysis Of Oxidized Pseudomonas Aeruginosa Azurin At Ph 5.5 And Ph 9.0. A Ph-Induced Conformational Transiti" 100.00 128 100.00 100.00 3.30e-89 DBJ BAK87490 "azurin precursor [Pseudomonas aeruginosa NCGM2.S1]" 100.00 148 100.00 100.00 7.17e-90 DBJ BAP24727 "azurin precursor [Pseudomonas aeruginosa]" 100.00 148 100.00 100.00 7.17e-90 DBJ BAP53499 "azurin precursor [Pseudomonas aeruginosa]" 100.00 148 100.00 100.00 7.17e-90 DBJ BAQ42761 "azurin precursor [Pseudomonas aeruginosa]" 100.00 148 100.00 100.00 7.17e-90 DBJ BAR70381 "azurin [Pseudomonas aeruginosa]" 100.00 148 100.00 100.00 7.17e-90 EMBL CAA30279 "unnamed protein product [Pseudomonas aeruginosa]" 100.00 148 100.00 100.00 7.17e-90 EMBL CAW30062 "azurin precursor [Pseudomonas aeruginosa LESB58]" 100.00 148 100.00 100.00 7.17e-90 EMBL CCQ86145 "azurin precursor [Pseudomonas aeruginosa 18A]" 100.00 148 100.00 100.00 7.17e-90 EMBL CDH73668 "Azurin [Pseudomonas aeruginosa MH38]" 100.00 148 100.00 100.00 7.17e-90 EMBL CDH79986 "Azurin [Pseudomonas aeruginosa MH27]" 100.00 148 100.00 100.00 7.17e-90 GB AAA25730 "azurin [Pseudomonas aeruginosa]" 100.00 148 100.00 100.00 7.17e-90 GB AAG08307 "azurin precursor [Pseudomonas aeruginosa PAO1]" 100.00 148 100.00 100.00 7.17e-90 GB AAP03090 "azurin [Burkholderia cepacia]" 100.00 148 98.44 99.22 2.10e-87 GB AAT49489 "PA4922, partial [synthetic construct]" 100.00 149 99.22 99.22 1.19e-88 GB ABJ14307 "azurin precursor [Pseudomonas aeruginosa UCBPP-PA14]" 100.00 148 99.22 100.00 2.72e-89 PRF 671048A azurin 100.00 128 100.00 100.00 3.30e-89 REF NP_253609 "azurin [Pseudomonas aeruginosa PAO1]" 100.00 148 100.00 100.00 7.17e-90 REF WP_003095591 "MULTISPECIES: azurin [Pseudomonas]" 100.00 148 100.00 100.00 7.17e-90 REF WP_003141697 "azurin [Pseudomonas aeruginosa]" 100.00 148 99.22 100.00 2.72e-89 REF WP_012077620 "azurin [Pseudomonas aeruginosa]" 100.00 148 97.66 99.22 1.35e-88 REF WP_031690945 "azurin [Pseudomonas aeruginosa]" 100.00 148 99.22 100.00 1.54e-89 SP B3EWN9 "RecName: Full=Azurin" 100.00 128 99.22 99.22 5.58e-88 SP P00282 "RecName: Full=Azurin; Flags: Precursor" 100.00 148 100.00 100.00 7.17e-90 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Fraction $azurin . 287 Bacteria . Pseudomonas aeruginosa periplasmic stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $azurin 'not available' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5 . na temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H . . ppm 0 . . . . . $entry_citation $entry_citation 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_chemical_shift_assignment_data_set_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_condition_set_one _Chem_shift_reference_set_label $chem_shift_reference_par_set_one _Mol_system_component_name azurin _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 31 VAL HG1 H -.26 . 1 2 . 31 VAL HG2 H -.26 . 1 3 . 35 HIS HE1 H 9.2 . 1 4 . 46 HIS HD2 H 5.81 . 1 5 . 48 TRP HD1 H 6 . 1 6 . 83 HIS HD2 H 7.28 . 1 7 . 83 HIS HE1 H 8.72 . 1 8 . 117 HIS HD2 H 7.1 . 1 9 . 117 HIS HE1 H 7.92 . 1 10 . 121 MET HE H 0 . 1 stop_ save_