data_5561 #Corrected using PDB structure: 1O6XA # #N.B. (Observed* = Observed shift + Offset correction) # #After reference correction, the following residues still #have a HA chemical shift difference (obs*-pred) greater than 0.7ppm: #NUM AA CS Observed* Predicted # 9 G HA 3.96 4.72 # 36 Q HA 3.97 3.22 # 46 P HA 3.86 4.58 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #0.01 N/A N/A N/A -0.35 -0.15 # #bmr5561.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr5561.str file): #HA CA CB CO N HN #N/A N/A N/A N/A -0.35 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.04 N/A N/A N/A +/-0.47 +/-0.08 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.796 N/A N/A N/A 0.767 0.385 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.156 N/A N/A N/A 2.015 0.331 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR solution structure of the activation domain of human procarboxipeptidase A2 ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jimenez "M. Angeles" . . 2 Villegas Virtudes . . 3 Santoro Jorge . . 4 Serrano Luis . . 5 Vendrell Josep . . 6 Aviles Xavier . . 7 Rico Manuel . . stop_ _BMRB_accession_number 5561 _BMRB_flat_file_name bmr5561.str _Entry_type new _Submission_date 2002-10-17 _Accession_date 2002-10-17 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 491 '15N chemical shifts' 87 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; NMR Solution Structure of the Activation Domain of Human Procarboxipeptidase A2 ; _Citation_status published _Citation_type journal _MEDLINE_UI_code . _PubMed_ID 12538893 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jimenez "M. Angeles" . . 2 Villegas Virtudes . . 3 Santoro Jorge . . 4 Serrano Luis . . 5 Vendrell Josep . . 6 Aviles "F. Xavier" . . 7 Rico Manuel . . stop_ _Journal_abbreviation "Protein Sci." _Journal_volume 12 _Journal_issue 2 _Page_first 296 _Page_last 305 _Year 2003 save_ ################################## # Molecular system description # ################################## save_system_ADA2h _Saveframe_category molecular_system _Mol_system_name "Activation domain of human procarboxipeptidase A2" _Abbreviation_common ADA2h _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ADA2h $ADA2h stop_ _System_physical_state native _System_oligomer_state momomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 1O6X . . stop_ save_ ######################## # Monomeric polymers # ######################## save_ADA2h _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "Activation domain of human procarboxipeptidase" _Name_variant . _Abbreviation_common ADA2h _Molecular_mass 9212 _Mol_thiol_state 'not present' ############################## # Polymer residue sequence # ############################## _Sequence_citation_label $ref_1 ############################## # Polymer residue sequence # ############################## _Residue_count 81 _Mol_residue_sequence ; MRSLETFVGDQVLEIVPSNE EQIKNLLQLEAQEHLQLDFW KSPTTPGETAHVRVPFVNVQ AVKVFLESQGIAYSIMIEDV Q ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ARG 3 SER 4 LEU 5 GLU 6 THR 7 PHE 8 VAL 9 GLY 10 ASP 11 GLN 12 VAL 13 LEU 14 GLU 15 ILE 16 VAL 17 PRO 18 SER 19 ASN 20 GLU 21 GLU 22 GLN 23 ILE 24 LYS 25 ASN 26 LEU 27 LEU 28 GLN 29 LEU 30 GLU 31 ALA 32 GLN 33 GLU 34 HIS 35 LEU 36 GLN 37 LEU 38 ASP 39 PHE 40 TRP 41 LYS 42 SER 43 PRO 44 THR 45 THR 46 PRO 47 GLY 48 GLU 49 THR 50 ALA 51 HIS 52 VAL 53 ARG 54 VAL 55 PRO 56 PHE 57 VAL 58 ASN 59 VAL 60 GLN 61 ALA 62 VAL 63 LYS 64 VAL 65 PHE 66 LEU 67 GLU 68 SER 69 GLN 70 GLY 71 ILE 72 ALA 73 TYR 74 SER 75 ILE 76 MET 77 ILE 78 GLU 79 ASP 80 VAL 81 GLN stop_ _Sequence_homology_query_date 2004-07-29 _Sequence_homology_query_revised_last_date 2004-07-16 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 PDB 1O6X "A Chain A, Nmr Solution Structure Of TheActivation Domain Of Human Procarboxypeptidase A2" 100.00 81 100 100 1e-38 PDB 1AYE "Human Procarboxypeptidase A2" 20.20 401 100 100 10e-38 GenBank AAA74425.1 "preprocarboxypeptidase A2" 19.42 417 100 100 10e-38 GenBank AAH14571.1 "Carboxypeptidase A2 (pancreatic) [Homosapiens]" 19.42 417 100 100 10e-38 GenBank AAH15140.1 "Carboxypeptidase A2 (pancreatic) [Homosapiens]" 19.42 417 100 100 10e-38 GenBank AAH07009.1 "Carboxypeptidase A2 (pancreatic) [Homosapiens]" 19.42 417 99 99 7e-37 GenBank AAP36351.1 "Homo sapiens carboxypeptidase A2(pancreatic) [synthetic construct]" 19.38 418 99 99 7e-37 PIR A56171 "carboxypeptidase A2 (EC 3.4.17.15)precursor - human" 19.42 417 100 100 10e-38 REF NP_001860.1 "carboxypeptidase A2 (pancreatic)[Homo sapiens]" 19.42 417 100 100 10e-38 SWISS-PROT P48052 "CPB2_HUMAN Carboxypeptidase A2 precursor" 19.42 417 100 100 10e-38 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ADA2h Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Cell_line _Cell_type _Vector_type _Vector_name $ADA2h 'recombinant technology' "E. coli" Escherichia coli K12 XL-1-BLUE XL-1-BLUE "E. coli" plasmid pTZ18U stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample-1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ADA2h 2.0 mM . "sodium phosphate buffer" 50 mM . stop_ save_ save_sample-2 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ADA2h 2.0 mM "[U-95.5% 15N]" "sodium phosphate buffer" 50 mM . stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; 2D 1H-1H COSY 2D 1H-1H TOCSY 2D 1H-1H NOESY 2D 1H-15N HSQC 3D 1H-1H-15N NOESY 3D 1H-1H-15N TOCSY 2D 1H-13C HSQC ; save_ ####################### # Sample conditions # ####################### save_Exp_cond-1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.1 n/a temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference 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 TSP H 1 'methyl protons' ppm 0.00 internal direct . internal . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of the ring # # (e.g. Tyr HE1 and HE2 protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons) # # 5 Interresidue ambiguities (Lys 12 vs. Lys 27) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample-1 $sample-2 stop_ _Sample_conditions_label $Exp_cond-1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name ADA2h loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 MET HA H 4.02 0.01 1 2 1 MET HB2 H 2.12 0.01 1 3 1 MET HB3 H 2.12 0.01 1 4 1 MET HG2 H 2.60 0.01 1 5 1 MET HG3 H 2.60 0.01 1 6 2 ARG HA H 4.40 0.01 1 7 2 ARG HB2 H 1.84 0.01 2 8 2 ARG HB3 H 1.78 0.01 2 9 2 ARG HG2 H 1.62 0.01 1 10 2 ARG HG3 H 1.62 0.01 1 11 2 ARG HD2 H 3.16 0.01 1 12 2 ARG HD3 H 3.16 0.01 1 13 3 SER N N 114.45 0.01 1 14 3 SER H H 8.44 0.01 1 15 3 SER HA H 4.53 0.01 1 16 3 SER HB2 H 3.79 0.01 1 17 3 SER HB3 H 3.79 0.01 1 18 4 LEU N N 124.15 0.01 1 19 4 LEU H H 8.41 0.01 1 20 4 LEU HA H 4.33 0.01 1 21 4 LEU HB2 H 1.60 0.01 2 22 4 LEU HB3 H 1.51 0.01 2 23 4 LEU HG H 1.59 0.01 1 24 4 LEU HD1 H 0.87 0.01 2 25 4 LEU HD2 H 0.77 0.01 2 26 5 GLU N N 121.45 0.01 1 27 5 GLU H H 8.34 0.01 1 28 5 GLU HA H 4.30 0.01 1 29 5 GLU HB2 H 1.98 0.01 2 30 5 GLU HB3 H 1.90 0.01 2 31 5 GLU HG2 H 2.22 0.01 1 32 5 GLU HG3 H 2.22 0.01 1 33 6 THR N N 113.25 0.01 1 34 6 THR H H 7.97 0.01 1 35 6 THR HA H 4.32 0.01 1 36 6 THR HB H 4.17 0.01 1 37 6 THR HG2 H 1.15 0.01 1 38 7 PHE N N 122.55 0.01 1 39 7 PHE H H 8.33 0.01 1 40 7 PHE HA H 4.70 0.01 1 41 7 PHE HB2 H 3.16 0.01 2 42 7 PHE HB3 H 3.04 0.01 2 43 7 PHE HD1 H 7.27 0.01 1 44 7 PHE HD2 H 7.27 0.01 1 45 7 PHE HE1 H 7.30 0.01 1 46 7 PHE HE2 H 7.30 0.01 1 47 7 PHE HZ H 7.28 0.01 1 48 8 VAL N N 121.45 0.01 1 49 8 VAL H H 8.02 0.01 1 50 8 VAL HA H 3.92 0.01 1 51 8 VAL HB H 1.81 0.01 1 52 8 VAL HG1 H 0.80 0.01 2 53 8 VAL HG2 H 0.71 0.01 2 54 9 GLY N N 112.85 0.01 1 55 9 GLY H H 8.23 0.01 1 56 9 GLY HA2 H 3.99 0.01 2 57 9 GLY HA3 H 3.92 0.01 2 58 10 ASP N N 120.15 0.01 1 59 10 ASP H H 8.34 0.01 1 60 10 ASP HA H 4.74 0.01 1 61 10 ASP HB2 H 2.59 0.01 2 62 10 ASP HB3 H 2.51 0.01 2 63 11 GLN N N 115.75 0.01 1 64 11 GLN H H 8.15 0.01 1 65 11 GLN HA H 4.91 0.01 1 66 11 GLN HB2 H 1.96 0.01 2 67 11 GLN HB3 H 1.69 0.01 2 68 11 GLN HG2 H 2.48 0.01 2 69 11 GLN HG3 H 2.39 0.01 2 70 11 GLN NE2 N 108.80 0.01 1 71 11 GLN HE21 H 6.70 0.01 2 72 11 GLN HE22 H 7.55 0.01 2 73 12 VAL N N 120.95 0.01 1 74 12 VAL H H 8.80 0.01 1 75 12 VAL HA H 4.79 0.01 1 76 12 VAL HB H 1.69 0.01 1 77 12 VAL HG1 H 0.35 0.01 1 78 12 VAL HG2 H 0.35 0.01 1 79 13 LEU N N 126.75 0.01 1 80 13 LEU H H 9.05 0.01 1 81 13 LEU HA H 5.11 0.01 1 82 13 LEU HB2 H 1.51 0.01 2 83 13 LEU HB3 H 1.32 0.01 2 84 13 LEU HG H 1.64 0.01 1 85 13 LEU HD1 H 0.65 0.01 2 86 13 LEU HD2 H 0.52 0.01 2 87 14 GLU N N 122.45 0.01 1 88 14 GLU H H 9.06 0.01 1 89 14 GLU HA H 5.25 0.01 1 90 14 GLU HB2 H 2.12 0.01 2 91 14 GLU HB3 H 1.96 0.01 2 92 14 GLU HG2 H 2.07 0.01 1 93 14 GLU HG3 H 2.07 0.01 1 94 15 ILE N N 127.05 0.01 1 95 15 ILE H H 9.35 0.01 1 96 15 ILE HA H 4.84 0.01 1 97 15 ILE HB H 1.57 0.01 1 98 15 ILE HG2 H 1.01 0.01 1 99 15 ILE HG13 H 0.97 0.01 2 100 15 ILE HD1 H 0.74 0.01 1 101 16 VAL N N 125.15 0.01 1 102 16 VAL H H 8.57 0.01 1 103 16 VAL HA H 4.72 0.01 1 104 16 VAL HB H 2.10 0.01 1 105 16 VAL HG1 H 0.80 0.01 2 106 16 VAL HG2 H 0.66 0.01 2 107 17 PRO HA H 4.83 0.01 1 108 17 PRO HB2 H 2.02 0.01 2 109 17 PRO HB3 H 1.62 0.01 2 110 17 PRO HG2 H 2.32 0.01 2 111 17 PRO HG3 H 1.77 0.01 2 112 17 PRO HD2 H 4.39 0.01 2 113 17 PRO HD3 H 3.47 0.01 2 114 18 SER N N 117.15 0.01 1 115 18 SER H H 9.18 0.01 1 116 18 SER HA H 4.53 0.01 1 117 18 SER HB2 H 4.09 0.01 2 118 18 SER HB3 H 3.90 0.01 2 119 19 ASN N N 114.65 0.01 1 120 19 ASN H H 7.50 0.01 1 121 19 ASN HA H 4.68 0.01 1 122 19 ASN HB2 H 3.24 0.01 2 123 19 ASN HB3 H 3.15 0.01 2 124 19 ASN ND2 N 112.40 0.01 1 125 19 ASN HD21 H 7.03 0.01 2 126 19 ASN HD22 H 7.43 0.01 2 127 20 GLU N N 117.85 0.01 1 128 20 GLU H H 9.13 0.01 1 129 20 GLU HA H 4.00 0.01 1 130 20 GLU HB2 H 2.10 0.01 1 131 20 GLU HB3 H 2.10 0.01 1 132 20 GLU HG2 H 2.39 0.01 1 133 20 GLU HG3 H 2.39 0.01 1 134 21 GLU N N 123.05 0.01 1 135 21 GLU H H 8.44 0.01 1 136 21 GLU HA H 4.05 0.01 1 137 21 GLU HB2 H 2.14 0.01 2 138 21 GLU HB3 H 2.09 0.01 2 139 21 GLU HG2 H 2.38 0.01 2 140 21 GLU HG3 H 2.32 0.01 2 141 22 GLN N N 117.55 0.01 1 142 22 GLN H H 8.57 0.01 1 143 22 GLN HA H 4.22 0.01 1 144 22 GLN HB2 H 2.12 0.01 1 145 22 GLN HB3 H 2.12 0.01 1 146 22 GLN HG2 H 3.17 0.01 2 147 22 GLN HG3 H 2.44 0.01 2 148 22 GLN NE2 N 111.20 0.01 1 149 22 GLN HE21 H 6.53 0.01 2 150 22 GLN HE22 H 7.45 0.01 2 151 23 ILE N N 118.35 0.01 1 152 23 ILE H H 7.45 0.01 1 153 23 ILE HA H 3.50 0.01 1 154 23 ILE HB H 2.12 0.01 1 155 23 ILE HG2 H 0.81 0.01 1 156 23 ILE HG12 H 1.72 0.01 2 157 23 ILE HG13 H 0.95 0.01 2 158 23 ILE HD1 H 0.54 0.01 1 159 24 LYS N N 119.35 0.01 1 160 24 LYS H H 8.05 0.01 1 161 24 LYS HA H 3.96 0.01 1 162 24 LYS HB2 H 2.01 0.01 2 163 24 LYS HB3 H 1.64 0.01 2 164 24 LYS HG2 H 1.42 0.01 1 165 24 LYS HG3 H 1.42 0.01 1 166 24 LYS HD2 H 1.71 0.01 1 167 24 LYS HD3 H 1.71 0.01 1 168 24 LYS HE2 H 2.96 0.01 1 169 24 LYS HE3 H 2.96 0.01 1 170 25 ASN N N 117.15 0.01 1 171 25 ASN H H 8.38 0.01 1 172 25 ASN HA H 4.71 0.01 1 173 25 ASN HB2 H 3.02 0.01 2 174 25 ASN HB3 H 2.71 0.01 2 175 25 ASN ND2 N 110.90 0.01 1 176 25 ASN HD21 H 7.09 0.01 2 177 25 ASN HD22 H 7.58 0.01 2 178 26 LEU N N 120.55 0.01 1 179 26 LEU H H 8.27 0.01 1 180 26 LEU HA H 4.21 0.01 1 181 26 LEU HB2 H 2.11 0.01 2 182 26 LEU HB3 H 1.57 0.01 2 183 26 LEU HG H 2.10 0.01 1 184 26 LEU HD1 H 0.97 0.01 2 185 26 LEU HD2 H 0.93 0.01 2 186 27 LEU N N 119.15 0.01 1 187 27 LEU H H 8.34 0.01 1 188 27 LEU HA H 4.09 0.01 1 189 27 LEU HB2 H 1.50 0.01 2 190 27 LEU HB3 H 1.96 0.01 2 191 27 LEU HG H 1.79 0.01 1 192 27 LEU HD1 H 0.86 0.01 2 193 27 LEU HD2 H 0.77 0.01 2 194 28 GLN N N 119.05 0.01 1 195 28 GLN H H 7.93 0.01 1 196 28 GLN HA H 4.16 0.01 1 197 28 GLN HB2 H 2.35 0.01 2 198 28 GLN HB3 H 2.23 0.01 2 199 28 GLN HG2 H 2.59 0.01 2 200 28 GLN HG3 H 2.43 0.01 2 201 28 GLN NE2 N 111.20 0.01 1 202 28 GLN HE21 H 7.46 0.01 2 203 28 GLN HE22 H 6.89 0.01 2 204 29 LEU N N 121.05 0.01 1 205 29 LEU H H 7.66 0.01 1 206 29 LEU HA H 3.84 0.01 1 207 29 LEU HB2 H 1.80 0.01 2 208 29 LEU HB3 H 1.48 0.01 2 209 29 LEU HG H 1.44 0.01 1 210 29 LEU HD1 H 0.47 0.01 2 211 29 LEU HD2 H 0.36 0.01 2 212 30 GLU N N 117.15 0.01 1 213 30 GLU H H 7.94 0.01 1 214 30 GLU HA H 3.77 0.01 1 215 30 GLU HB2 H 2.03 0.01 2 216 30 GLU HB3 H 1.56 0.01 2 217 30 GLU HG2 H 2.11 0.01 1 218 30 GLU HG3 H 2.11 0.01 1 219 31 ALA N N 117.35 0.01 1 220 31 ALA H H 7.30 0.01 1 221 31 ALA HA H 4.25 0.01 1 222 31 ALA HB H 1.50 0.01 1 223 32 GLN N N 117.65 0.01 1 224 32 GLN H H 7.59 0.01 1 225 32 GLN HA H 4.43 0.01 1 226 32 GLN HB2 H 2.23 0.01 2 227 32 GLN HB3 H 1.90 0.01 2 228 32 GLN HG2 H 2.53 0.01 2 229 32 GLN HG3 H 2.47 0.01 2 230 32 GLN NE2 N 111.50 0.01 1 231 32 GLN HE21 H 6.76 0.01 2 232 32 GLN HE22 H 7.27 0.01 2 233 33 GLU N N 124.45 0.01 1 234 33 GLU H H 8.50 0.01 1 235 33 GLU HA H 4.14 0.01 1 236 33 GLU HB2 H 2.13 0.01 2 237 33 GLU HB3 H 2.06 0.01 2 238 33 GLU HG2 H 2.35 0.01 2 239 33 GLU HG3 H 2.28 0.01 2 240 34 HIS HA H 4.50 0.01 1 241 34 HIS HB2 H 3.25 0.01 2 242 34 HIS HB3 H 3.10 0.01 2 243 34 HIS HD2 H 7.00 0.01 1 244 34 HIS HE1 H 7.95 0.01 1 245 35 LEU N N 118.65 0.01 1 246 35 LEU H H 7.20 0.01 1 247 35 LEU HA H 4.08 0.01 1 248 35 LEU HB2 H 1.67 0.01 2 249 35 LEU HB3 H 1.11 0.01 2 250 35 LEU HG H 0.86 0.01 1 251 35 LEU HD1 H 0.68 0.01 2 252 35 LEU HD2 H 0.58 0.01 2 253 36 GLN N N 113.15 0.01 1 254 36 GLN H H 7.72 0.01 1 255 36 GLN HA H 3.96 0.01 1 256 36 GLN HB2 H 2.17 0.01 2 257 36 GLN HB3 H 2.06 0.01 2 258 36 GLN HG2 H 2.26 0.01 2 259 36 GLN HG3 H 2.30 0.01 2 260 36 GLN NE2 N 112.20 0.01 1 261 36 GLN HE21 H 7.54 0.01 2 262 36 GLN HE22 H 6.82 0.01 2 263 37 LEU N N 115.35 0.01 1 264 37 LEU H H 8.11 0.01 1 265 37 LEU HA H 4.29 0.01 1 266 37 LEU HB2 H 1.77 0.01 2 267 37 LEU HB3 H 1.02 0.01 2 268 37 LEU HG H 1.65 0.01 1 269 37 LEU HD1 H 0.71 0.01 1 270 37 LEU HD2 H 0.71 0.01 1 271 38 ASP N N 119.65 0.01 1 272 38 ASP H H 7.97 0.01 1 273 38 ASP HA H 5.10 0.01 1 274 38 ASP HB2 H 2.91 0.01 2 275 38 ASP HB3 H 2.63 0.01 2 276 39 PHE N N 125.05 0.01 1 277 39 PHE H H 9.51 0.01 1 278 39 PHE HA H 4.82 0.01 1 279 39 PHE HB2 H 3.27 0.01 2 280 39 PHE HB3 H 2.74 0.01 2 281 39 PHE HD1 H 7.38 0.01 1 282 39 PHE HD2 H 7.38 0.01 1 283 39 PHE HE1 H 6.99 0.01 1 284 39 PHE HE2 H 6.99 0.01 1 285 40 TRP N N 129.85 0.01 1 286 40 TRP H H 8.12 0.01 1 287 40 TRP HA H 4.78 0.01 1 288 40 TRP HB2 H 3.43 0.01 2 289 40 TRP HB3 H 3.13 0.01 2 290 40 TRP NE1 N 127.90 0.01 1 291 40 TRP HD1 H 7.03 0.01 1 292 40 TRP HE3 H 7.48 0.01 1 293 40 TRP HE1 H 9.97 0.01 1 294 40 TRP HZ3 H 6.97 0.01 1 295 40 TRP HZ2 H 7.35 0.01 1 296 40 TRP HH2 H 7.11 0.01 1 297 41 LYS N N 118.25 0.01 1 298 41 LYS H H 8.29 0.01 1 299 41 LYS HA H 4.68 0.01 1 300 41 LYS HB2 H 1.85 0.01 2 301 41 LYS HB3 H 1.69 0.01 2 302 41 LYS HG2 H 1.26 0.01 1 303 41 LYS HG3 H 1.26 0.01 1 304 41 LYS HD2 H 1.47 0.01 2 305 41 LYS HD3 H 1.05 0.01 2 306 41 LYS HE2 H 2.94 0.01 1 307 41 LYS HE3 H 2.94 0.01 1 308 42 SER N N 123.25 0.01 1 309 42 SER H H 9.01 0.01 1 310 42 SER HA H 4.50 0.01 1 311 42 SER HB2 H 3.86 0.01 2 312 42 SER HB3 H 3.69 0.01 2 313 43 PRO HA H 4.41 0.01 1 314 43 PRO HB2 H 1.96 0.01 1 315 43 PRO HB3 H 1.96 0.01 1 316 43 PRO HG2 H 1.89 0.01 2 317 43 PRO HG3 H 1.57 0.01 2 318 43 PRO HD2 H 3.25 0.01 2 319 43 PRO HD3 H 3.51 0.01 2 320 44 THR N N 112.75 0.01 1 321 44 THR H H 9.12 0.01 1 322 44 THR HA H 4.41 0.01 1 323 44 THR HB H 4.23 0.01 1 324 44 THR HG2 H 1.16 0.01 1 325 45 THR N N 113.25 0.01 1 326 45 THR H H 8.31 0.01 1 327 45 THR HA H 4.83 0.01 1 328 45 THR HB H 4.24 0.01 1 329 45 THR HG2 H 1.21 0.01 1 330 46 PRO HA H 3.85 0.01 1 331 46 PRO HB2 H 2.25 0.01 2 332 46 PRO HB3 H 1.91 0.01 2 333 46 PRO HG2 H 1.36 0.01 1 334 46 PRO HG3 H 1.36 0.01 1 335 46 PRO HD2 H 3.72 0.01 1 336 46 PRO HD3 H 3.72 0.01 1 337 47 GLY N N 111.15 0.01 1 338 47 GLY H H 8.95 0.01 1 339 47 GLY HA2 H 4.29 0.01 2 340 47 GLY HA3 H 3.46 0.01 2 341 48 GLU N N 119.35 0.01 1 342 48 GLU H H 7.48 0.01 1 343 48 GLU HA H 4.60 0.01 1 344 48 GLU HB2 H 2.05 0.01 1 345 48 GLU HB3 H 2.05 0.01 1 346 48 GLU HG2 H 2.34 0.01 2 347 48 GLU HG3 H 2.18 0.01 2 348 49 THR N N 113.85 0.01 1 349 49 THR H H 8.51 0.01 1 350 49 THR HA H 4.50 0.01 1 351 49 THR HB H 4.07 0.01 1 352 49 THR HG2 H 1.22 0.01 1 353 50 ALA N N 123.25 0.01 1 354 50 ALA H H 9.23 0.01 1 355 50 ALA HA H 4.58 0.01 1 356 50 ALA HB H 1.31 0.01 1 357 51 HIS N N 120.05 0.01 1 358 51 HIS H H 9.05 0.01 1 359 51 HIS HA H 5.92 0.01 1 360 51 HIS HB2 H 3.10 0.01 2 361 51 HIS HB3 H 2.64 0.01 2 362 51 HIS HD2 H 6.94 0.01 1 363 51 HIS HE1 H 7.78 0.01 1 364 52 VAL N N 121.45 0.01 1 365 52 VAL H H 8.84 0.01 1 366 52 VAL HA H 4.59 0.01 1 367 52 VAL HB H 1.15 0.01 1 368 52 VAL HG1 H 0.49 0.01 2 369 52 VAL HG2 H 0.04 0.01 2 370 53 ARG N N 129.35 0.01 1 371 53 ARG H H 8.80 0.01 1 372 53 ARG HA H 4.58 0.01 1 373 53 ARG HB2 H 1.87 0.01 2 374 53 ARG HB3 H 1.26 0.01 2 375 53 ARG HG2 H 1.32 0.01 2 376 53 ARG HG3 H 0.91 0.01 2 377 53 ARG HD2 H 3.33 0.01 1 378 53 ARG HD3 H 3.33 0.01 1 379 53 ARG NE N 85.00 0.01 1 380 53 ARG HE H 8.12 0.01 1 381 54 VAL N N 128.55 0.01 1 382 54 VAL H H 9.28 0.01 1 383 54 VAL HA H 4.54 0.01 1 384 54 VAL HB H 1.95 0.01 1 385 54 VAL HG1 H 0.85 0.01 2 386 54 VAL HG2 H 0.79 0.01 2 387 55 PRO HA H 4.69 0.01 1 388 55 PRO HB2 H 2.50 0.01 2 389 55 PRO HB3 H 1.81 0.01 2 390 55 PRO HG2 H 2.19 0.01 2 391 55 PRO HG3 H 2.07 0.01 2 392 55 PRO HD2 H 3.96 0.01 2 393 55 PRO HD3 H 3.59 0.01 2 394 56 PHE N N 124.65 0.01 1 395 56 PHE H H 9.14 0.01 1 396 56 PHE HA H 4.24 0.01 1 397 56 PHE HB2 H 3.41 0.01 2 398 56 PHE HB3 H 2.97 0.01 2 399 56 PHE HD1 H 7.30 0.01 1 400 56 PHE HD2 H 7.30 0.01 1 401 56 PHE HE1 H 7.37 0.01 1 402 56 PHE HE2 H 7.37 0.01 1 403 56 PHE HZ H 7.33 0.01 1 404 57 VAL N N 112.05 0.01 1 405 57 VAL H H 8.22 0.01 1 406 57 VAL HA H 3.79 0.01 1 407 57 VAL HB H 2.21 0.01 1 408 57 VAL HG1 H 1.01 0.01 2 409 57 VAL HG2 H 0.95 0.01 2 410 58 ASN N N 115.25 0.01 1 411 58 ASN H H 8.08 0.01 1 412 58 ASN HA H 5.24 0.01 1 413 58 ASN HB2 H 2.94 0.01 2 414 58 ASN HB3 H 2.32 0.01 2 415 58 ASN ND2 N 113.50 0.01 1 416 58 ASN HD21 H 7.20 0.01 2 417 58 ASN HD22 H 7.07 0.01 2 418 59 VAL N N 121.45 0.01 1 419 59 VAL H H 7.46 0.01 1 420 59 VAL HA H 3.35 0.01 1 421 59 VAL HB H 1.95 0.01 1 422 59 VAL HG1 H 1.02 0.01 2 423 59 VAL HG2 H 0.81 0.01 2 424 60 GLN N N 118.95 0.01 1 425 60 GLN H H 8.49 0.01 1 426 60 GLN HA H 3.96 0.01 1 427 60 GLN HB2 H 2.04 0.01 1 428 60 GLN HB3 H 2.04 0.01 1 429 60 GLN HG2 H 2.39 0.01 1 430 60 GLN HG3 H 2.39 0.01 1 431 60 GLN NE2 N 111.80 0.01 1 432 60 GLN HE21 H 6.94 0.01 2 433 60 GLN HE22 H 7.38 0.01 2 434 61 ALA N N 120.25 0.01 1 435 61 ALA H H 8.08 0.01 1 436 61 ALA HA H 4.05 0.01 1 437 61 ALA HB H 1.42 0.01 1 438 62 VAL N N 118.25 0.01 1 439 62 VAL H H 7.88 0.01 1 440 62 VAL HA H 3.51 0.01 1 441 62 VAL HB H 2.01 0.01 1 442 62 VAL HG1 H 0.96 0.01 2 443 62 VAL HG2 H 0.66 0.01 2 444 63 LYS N N 120.15 0.01 1 445 63 LYS H H 8.34 0.01 1 446 63 LYS HA H 3.42 0.01 1 447 63 LYS HB2 H 1.87 0.01 1 448 63 LYS HB3 H 1.87 0.01 1 449 63 LYS HG2 H 1.56 0.01 2 450 63 LYS HG3 H 0.97 0.01 2 451 63 LYS HD2 H 1.74 0.01 2 452 63 LYS HD3 H 1.67 0.01 2 453 63 LYS HE2 H 2.88 0.01 1 454 63 LYS HE3 H 2.88 0.01 1 455 64 VAL N N 117.25 0.01 1 456 64 VAL H H 8.32 0.01 1 457 64 VAL HA H 3.74 0.01 1 458 64 VAL HB H 2.14 0.01 1 459 64 VAL HG1 H 1.11 0.01 2 460 64 VAL HG2 H 1.00 0.01 2 461 65 PHE N N 121.85 0.01 1 462 65 PHE H H 7.81 0.01 1 463 65 PHE HA H 4.24 0.01 1 464 65 PHE HB2 H 3.31 0.01 2 465 65 PHE HB3 H 3.23 0.01 2 466 65 PHE HD1 H 7.15 0.01 1 467 65 PHE HD2 H 7.15 0.01 1 468 65 PHE HE1 H 7.19 0.01 1 469 65 PHE HE2 H 7.19 0.01 1 470 66 LEU N N 119.45 0.01 1 471 66 LEU H H 8.71 0.01 1 472 66 LEU HA H 3.67 0.01 1 473 66 LEU HB2 H 1.81 0.01 2 474 66 LEU HB3 H 1.67 0.01 2 475 66 LEU HG H 2.07 0.01 1 476 66 LEU HD1 H 0.81 0.01 2 477 66 LEU HD2 H 0.22 0.01 2 478 67 GLU N N 117.65 0.01 1 479 67 GLU H H 8.81 0.01 1 480 67 GLU HA H 4.25 0.01 1 481 67 GLU HB2 H 2.17 0.01 2 482 67 GLU HB3 H 2.12 0.01 2 483 67 GLU HG2 H 2.86 0.01 2 484 67 GLU HG3 H 2.60 0.01 2 485 68 SER N N 116.45 0.01 1 486 68 SER H H 8.54 0.01 1 487 68 SER HA H 4.24 0.01 1 488 68 SER HB2 H 4.03 0.01 2 489 68 SER HB3 H 4.00 0.01 2 490 69 GLN N N 117.25 0.01 1 491 69 GLN H H 7.35 0.01 1 492 69 GLN HA H 4.25 0.01 1 493 69 GLN HB2 H 1.50 0.01 2 494 69 GLN HB3 H 1.45 0.01 2 495 69 GLN HG2 H 2.25 0.01 2 496 69 GLN HG3 H 1.81 0.01 2 497 69 GLN NE2 N 111.70 0.01 1 498 69 GLN HE21 H 6.43 0.01 2 499 69 GLN HE22 H 6.75 0.01 2 500 70 GLY N N 108.95 0.01 1 501 70 GLY H H 7.75 0.01 1 502 70 GLY HA2 H 3.93 0.01 2 503 70 GLY HA3 H 3.89 0.01 2 504 71 ILE N N 120.75 0.01 1 505 71 ILE H H 8.22 0.01 1 506 71 ILE HA H 3.97 0.01 1 507 71 ILE HB H 1.69 0.01 1 508 71 ILE HG2 H 0.87 0.01 1 509 71 ILE HD1 H 0.66 0.01 1 510 72 ALA N N 132.25 0.01 1 511 72 ALA H H 8.71 0.01 1 512 72 ALA HA H 4.26 0.01 1 513 72 ALA HB H 1.44 0.01 1 514 73 TYR N N 114.95 0.01 1 515 73 TYR H H 7.87 0.01 1 516 73 TYR HA H 5.71 0.01 1 517 73 TYR HB2 H 2.94 0.01 2 518 73 TYR HB3 H 2.80 0.01 2 519 73 TYR HD1 H 6.97 0.01 1 520 73 TYR HD2 H 6.97 0.01 1 521 73 TYR HE1 H 6.75 0.01 1 522 73 TYR HE2 H 6.75 0.01 1 523 74 SER N N 113.35 0.01 1 524 74 SER H H 9.14 0.01 1 525 74 SER HA H 4.53 0.01 1 526 74 SER HB2 H 3.80 0.01 1 527 74 SER HB3 H 3.80 0.01 1 528 75 ILE N N 122.55 0.01 1 529 75 ILE H H 8.88 0.01 1 530 75 ILE HA H 4.26 0.01 1 531 75 ILE HB H 1.89 0.01 1 532 75 ILE HG2 H 0.82 0.01 1 533 75 ILE HG12 H 1.16 0.01 2 534 75 ILE HG13 H 1.64 0.01 2 535 75 ILE HD1 H 0.94 0.01 1 536 76 MET N N 129.35 0.01 1 537 76 MET H H 8.97 0.01 1 538 76 MET HA H 4.40 0.01 1 539 76 MET HB2 H 1.90 0.01 2 540 76 MET HB3 H 1.81 0.01 2 541 76 MET HG2 H 2.46 0.01 2 542 76 MET HG3 H 2.25 0.01 2 543 77 ILE N N 119.05 0.01 1 544 77 ILE H H 7.99 0.01 1 545 77 ILE HA H 4.30 0.01 1 546 77 ILE HB H 1.64 0.01 1 547 77 ILE HG2 H 0.94 0.01 1 548 77 ILE HG12 H 1.41 0.01 2 549 77 ILE HG13 H 1.15 0.01 2 550 77 ILE HD1 H 0.95 0.01 1 551 78 GLU N N 125.25 0.01 1 552 78 GLU H H 8.65 0.01 1 553 78 GLU HA H 4.35 0.01 1 554 78 GLU HB2 H 2.05 0.01 2 555 78 GLU HB3 H 1.98 0.01 2 556 78 GLU HG2 H 2.24 0.01 1 557 78 GLU HG3 H 2.24 0.01 1 558 79 ASP N N 120.55 0.01 1 559 79 ASP H H 8.24 0.01 1 560 79 ASP HA H 4.65 0.01 1 561 79 ASP HB2 H 2.77 0.01 2 562 79 ASP HB3 H 2.51 0.01 2 563 80 VAL N N 121.95 0.01 1 564 80 VAL H H 8.39 0.01 1 565 80 VAL HA H 4.08 0.01 1 566 80 VAL HB H 2.00 0.01 1 567 80 VAL HG1 H 0.94 0.01 2 568 80 VAL HG2 H 0.90 0.01 2 569 81 GLN N N 129.55 0.01 1 570 81 GLN H H 8.11 0.01 1 571 81 GLN HA H 4.19 0.01 1 572 81 GLN HB2 H 2.15 0.01 2 573 81 GLN HB3 H 1.91 0.01 2 574 81 GLN HG2 H 2.31 0.01 1 575 81 GLN HG3 H 2.31 0.01 1 576 81 GLN NE2 N 113.20 0.01 1 577 81 GLN HE21 H 7.71 0.01 2 578 81 GLN HE22 H 6.74 0.01 2 stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref_1 _Saveframe_category citation _PubMed_ID 7896805 _Citation_full ; Catasus Ll, Vendrell J, Aviles FX, Carreira S, Puigserver & Billeter M. The sequence and conformation of human pancratic procarboxipeptidase A2. cDNA cloning, sequence analysis, and 3D model. J. Biol. Chem. 270, 6651-6657 (1995). ; save_