data_5030 #Corrected using PDB structure: 1TUJA # #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 # 34 N HA 4.81 3.83 # 35 I HA 3.98 4.69 # 66 L HA 5.27 4.09 # 73 K HA 4.07 4.99 # #After reference correction, the following residues still #have a CB chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 26 H CB 26.15 33.45 # 44 M CB 32.35 39.57 # 49 C CB 37.65 43.71 #116 C CB 36.65 42.22 # #After reference correction, the following residues still #have a CO chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 48 G C 176.27 171.22 #123 S C 178.61 173.14 # #After reference correction, the following residues still #have a N chemical shift difference (obs*-pred) greater than 10.0ppm: #NUM AA CS Observed* Predicted # 26 H N 114.90 125.28 # 33 T N 117.80 105.05 # #After reference correction, the following residues still #have a HN chemical shift difference (obs*-pred) greater than 2.0ppm: #NUM AA CS Observed* Predicted #101 K H 7.17 9.25 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #0.02 -0.38 0.15 -0.15 -0.70 -0.15 # #bmr5030.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr5030.str file): #HA CA CB CO N HN #N/A -0.11 -0.11 -0.15 -0.70 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.03 +/-0.16 +/-0.19 +/-0.12 +/-0.42 +/-0.07 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.647 0.958 0.985 0.725 0.673 0.148 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.158 0.895 1.003 0.674 2.259 0.393 # #*Note: CA and CB offsets differences were greater than 0.5ppm, # Please check for possible misassignment or deuterate effects ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N Chemical Shift Assignment of the Honeybee Odorant-binding Protein ASP2 ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lescop Ewen . . 2 Briand Loic . . 3 Pernollet Jean-Claude . . 4 "van Heijenoort" Carine . . 5 Guittet Eric . . stop_ _BMRB_accession_number 5030 _BMRB_flat_file_name bmr5030.str _Entry_type new _Submission_date 2001-05-23 _Accession_date 2001-05-23 _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' 444 '15N chemical shifts' 119 '13C chemical shifts' 361 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Letter to the Editor: 1H, 13C and 15N Chemical Shift Assignment of the Honeybee Odorant-binding Protein ASP2 ; _Citation_status published _Citation_type journal _MEDLINE_UI_code 21584505 _PubMed_ID 11727984 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lescop Ewen . . 2 Briand Loic . . 3 Pernollet Jean-Claude . . 4 "van Heijenoort" Carine . . 5 Guittet Eric . . stop_ _Journal_abbreviation "J. Biomol. NMR" _Journal_volume 21 _Journal_issue 2 _Page_first 181 _Page_last 182 _Year 2001 loop_ _Keyword "apis mellifera L." "insect" "olfaction" "odorant binding protein" "resonances assignments" stop_ save_ ################################## # Molecular system description # ################################## save_system_ASP2 _Saveframe_category molecular_system _Mol_system_name "Honeybee antennal specific Protein 2" _Abbreviation_common ASP2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ASP2 $ASP2 stop_ _System_physical_state native _System_oligomer_state monomeric _System_paramagnetic no _System_thiol_state 'all disulfide bound' loop_ _Biological_function "General Odorant-Binding Protein" stop_ save_ ######################## # Monomeric polymers # ######################## save_ASP2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ASP2 _Name_variant . _Abbreviation_common ASP2 _Molecular_mass 13695 _Mol_thiol_state 'all disulfide bound' ############################## # Polymer residue sequence # ############################## _Residue_count 123 _Mol_residue_sequence ; IDQDTVVAKYMEYLMPDIMP CADELHISEDIATNIQAAKN GADMSQLGCLKACVMKRIEM LKGTELYVEPVYKMIEVVHA GNADDIQLVKGIANECIENA KGETDECNIGNKYTDCYIEK LFS ; loop_ _Residue_seq_code _Residue_label 1 ILE 2 ASP 3 GLN 4 ASP 5 THR 6 VAL 7 VAL 8 ALA 9 LYS 10 TYR 11 MET 12 GLU 13 TYR 14 LEU 15 MET 16 PRO 17 ASP 18 ILE 19 MET 20 PRO 21 CYS 22 ALA 23 ASP 24 GLU 25 LEU 26 HIS 27 ILE 28 SER 29 GLU 30 ASP 31 ILE 32 ALA 33 THR 34 ASN 35 ILE 36 GLN 37 ALA 38 ALA 39 LYS 40 ASN 41 GLY 42 ALA 43 ASP 44 MET 45 SER 46 GLN 47 LEU 48 GLY 49 CYS 50 LEU 51 LYS 52 ALA 53 CYS 54 VAL 55 MET 56 LYS 57 ARG 58 ILE 59 GLU 60 MET 61 LEU 62 LYS 63 GLY 64 THR 65 GLU 66 LEU 67 TYR 68 VAL 69 GLU 70 PRO 71 VAL 72 TYR 73 LYS 74 MET 75 ILE 76 GLU 77 VAL 78 VAL 79 HIS 80 ALA 81 GLY 82 ASN 83 ALA 84 ASP 85 ASP 86 ILE 87 GLN 88 LEU 89 VAL 90 LYS 91 GLY 92 ILE 93 ALA 94 ASN 95 GLU 96 CYS 97 ILE 98 GLU 99 ASN 100 ALA 101 LYS 102 GLY 103 GLU 104 THR 105 ASP 106 GLU 107 CYS 108 ASN 109 ILE 110 GLY 111 ASN 112 LYS 113 TYR 114 THR 115 ASP 116 CYS 117 TYR 118 ILE 119 GLU 120 LYS 121 LEU 122 PHE 123 SER 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 GenBank AAD51945.1 "putative odorant-binding protein ASP2[Apis mellifera]" 86.62 142 100 100 6e-67 GenBank AAL60418.1 "odorant binding protein ASP2 [Apismellifera]" 86.62 142 100 100 6e-67 REF XP_392506.1 "odorant binding protein ASP2 [Apismellifera]" 86.62 142 100 100 6e-67 stop_ save_ ######################################## # Molecular bond linkage definitions # ######################################## save_crosslink_bonds _Saveframe_category crosslink_bonds loop_ _Bond_order _Bond_type _Atom_one_mol_system_component_name _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_mol_system_component_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name _Details single disulfide ASP2 21 CYS SG ASP2 53 CYS SG ; see ref_1 ; single disulfide ASP2 49 CYS SG ASP2 107 CYS SG . single disulfide ASP2 96 CYS SG ASP2 116 CYS SG . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Organ _Secretion $ASP2 Honeybee 7460 Eukaryota Metazoa Apis mellifera antennae "sensillum lymph" stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_type _Vector_name _Details $ASP2 'recombinant technology' "P. pastoris" Pichia pastoris GS115 Muts pHIL-D2 pNatASP2 ; The host-vector system used was extremely efficient (around 100mg/L), see ref_2. ; stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N13C_H2O _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $ASP2 . mM 0.7 1.5 "[U-98% 13C; U-98% 15N]" TSP 0.1 mM . . . "phosphate buffer" 100 mM . . . NaN3 0.1 mM . . . H2O 90 % . . . D2O 10 % . . . stop_ save_ save_15N13C_D2O _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ASP2 1.3 mM "[U-98% 13C; U-98% 15N]" TSP 0.1 mM . "phosphate buffer" 100 mM . NaN3 0.1 mM . D2O 100 % . stop_ save_ save_15N_H2O _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ASP2 1 mM "[U-98% 15N]" TSP 0.1 mM . "phosphate buffer" 100 mM . NaN3 0.1 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 2.6 loop_ _Task "acquisition" "processing" stop_ _Details "Developed by Bruker" save_ save_AURELIA _Saveframe_category software _Name AURELIA _Version 2.8.4 loop_ _Task Analysis stop_ _Details "Developed by Bruker" save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details ; Spectrometer equipped with a 5 mm TXI triple resonance, triple-axis gradient probe. ; save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; 1H-15N NOESY 1H-15N TOCSY HNCA HN(CO)CA HNCO HN(CA)CO HNCACB CBCA(CO)NH HCCH-TOCSY 13C NOESY-HSQC ; _Details ; The 1H-15N NOESY and 1H-15N TOCSY experiments were collected on the 15N protein in H2O (sample 15N_H20). The HNCA,HN(CO)CA, HNCO, HN(CA)CO, HNCACB and CBCA(CO)NH experiments were collected on the 13C-15N protein in 100%H20 (sample 15N13C_H2O). The HCCH-TOCSY and 13C and NOESY-HSQC experiments were collected on the 13C-15N protein in 100% D2O (sample 13C15N_D2O). ; save_ ####################### # Sample conditions # ####################### save_Cond_D2O _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.7 0.1 n/a temperature 308 1 K 'ionic strength' 0.11 . M stop_ save_ save_Cond_H2O _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.7 0.1 n/a temperature 308 1 K 'ionic strength' 0.11 . M 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 TSP C 13 'methyl protons' ppm 0.00 internal indirect . internal . 0.101329118 TSP N 15 'methyl protons' ppm 0.00 internal indirect . internal . 0.251449530 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_ASP2_shift_set _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $15N13C_D2O $15N13C_H2O $15N_H2O stop_ _Sample_conditions_label $Cond_D2O _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name ASP2 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 ILE HA H 3.77 0.02 1 2 1 ILE HB H 2.01 0.02 1 3 1 ILE C C 171.55 0.05 1 4 1 ILE CA C 59.59 0.20 1 5 1 ILE CB C 38.79 0.40 1 6 2 ASP H H 8.79 0.01 1 7 2 ASP HA H 4.89 0.02 1 8 2 ASP HB2 H 2.69 0.02 2 9 2 ASP HB3 H 2.92 0.02 2 10 2 ASP C C 175.35 0.05 1 11 2 ASP CA C 53.09 0.20 1 12 2 ASP CB C 40.99 0.40 1 13 2 ASP N N 126.00 0.10 1 14 3 GLN H H 8.80 0.01 1 15 3 GLN HA H 3.81 0.02 1 16 3 GLN HB2 H 1.88 0.02 1 17 3 GLN HB3 H 1.88 0.02 1 18 3 GLN C C 176.55 0.05 1 19 3 GLN CA C 59.39 0.20 1 20 3 GLN CB C 28.29 0.40 1 21 3 GLN N N 124.30 0.10 1 22 4 ASP H H 8.51 0.01 1 23 4 ASP HA H 4.40 0.02 1 24 4 ASP HB2 H 2.70 0.02 2 25 4 ASP HB3 H 2.77 0.02 2 26 4 ASP C C 178.61 0.05 1 27 4 ASP CA C 56.99 0.20 1 28 4 ASP CB C 40.29 0.40 1 29 4 ASP N N 116.40 0.10 1 30 5 THR H H 7.69 0.01 1 31 5 THR HA H 4.31 0.02 2 32 5 THR HB H 4.29 0.02 2 33 5 THR C C 176.35 0.05 1 34 5 THR CA C 64.39 0.20 1 35 5 THR CB C 69.49 0.40 1 36 5 THR N N 112.60 0.10 1 37 6 VAL H H 7.94 0.01 1 38 6 VAL HA H 3.81 0.02 1 39 6 VAL HB H 2.33 0.02 1 40 6 VAL C C 177.25 0.05 1 41 6 VAL CA C 66.09 0.20 1 42 6 VAL CB C 31.69 0.40 1 43 6 VAL N N 119.70 0.10 1 44 7 VAL H H 8.49 0.01 1 45 7 VAL HA H 3.79 0.02 1 46 7 VAL HB H 2.21 0.02 1 47 7 VAL C C 177.45 0.05 1 48 7 VAL CA C 67.89 0.20 1 49 7 VAL CB C 31.89 0.40 1 50 7 VAL N N 119.90 0.10 1 51 8 ALA H H 7.70 0.01 1 52 8 ALA HA H 4.16 0.02 1 53 8 ALA HB H 1.56 0.02 1 54 8 ALA C C 180.55 0.05 1 55 8 ALA CA C 55.09 0.20 1 56 8 ALA CB C 17.69 0.40 1 57 8 ALA N N 119.40 0.10 1 58 9 LYS H H 7.79 0.01 1 59 9 LYS HA H 4.22 0.02 1 60 9 LYS HB2 H 1.78 0.02 2 61 9 LYS HB3 H 2.02 0.02 2 62 9 LYS C C 180.15 0.05 1 63 9 LYS CA C 59.09 0.20 1 64 9 LYS CB C 32.89 0.40 1 65 9 LYS N N 117.60 0.10 1 66 10 TYR H H 8.47 0.01 1 67 10 TYR HA H 4.20 0.02 1 68 10 TYR HB2 H 2.98 0.02 2 69 10 TYR HB3 H 3.29 0.02 2 70 10 TYR C C 178.35 0.05 1 71 10 TYR CA C 63.09 0.20 1 72 10 TYR CB C 38.69 0.40 1 73 10 TYR N N 119.50 0.10 1 74 11 MET H H 8.57 0.01 1 75 11 MET HA H 4.21 0.02 1 76 11 MET HB2 H 2.28 0.02 2 77 11 MET HB3 H 2.00 0.02 2 78 11 MET C C 178.15 0.05 1 79 11 MET CA C 57.89 0.20 1 80 11 MET CB C 31.39 0.40 1 81 11 MET N N 116.00 0.10 1 82 12 GLU H H 8.16 0.01 1 83 12 GLU HA H 4.02 0.02 1 84 12 GLU HB2 H 2.16 0.02 2 85 12 GLU HB3 H 2.20 0.02 2 86 12 GLU C C 178.65 0.05 1 87 12 GLU CA C 59.29 0.20 1 88 12 GLU CB C 29.49 0.40 1 89 12 GLU N N 117.70 0.10 1 90 13 TYR H H 7.79 0.01 1 91 13 TYR HA H 4.03 0.02 1 92 13 TYR HB2 H 3.31 0.02 2 93 13 TYR HB3 H 3.02 0.02 2 94 13 TYR C C 177.35 0.05 1 95 13 TYR CA C 61.09 0.20 1 96 13 TYR CB C 38.79 0.40 1 97 13 TYR N N 118.40 0.10 1 98 14 LEU H H 8.30 0.01 1 99 14 LEU HA H 4.58 0.02 1 100 14 LEU HB2 H 1.62 0.02 2 101 14 LEU HB3 H 2.06 0.02 2 102 14 LEU C C 178.47 0.05 1 103 14 LEU CA C 54.89 0.20 1 104 14 LEU CB C 43.59 0.40 1 105 14 LEU N N 113.80 0.10 1 106 15 MET H H 8.30 0.01 1 107 15 MET HA H 4.56 0.02 1 108 15 MET HB2 H 2.59 0.02 2 109 15 MET HB3 H 2.21 0.02 2 110 15 MET C C 173.62 0.05 1 111 15 MET CA C 59.39 0.20 1 112 15 MET CB C 28.09 0.40 1 113 15 MET N N 123.50 0.10 1 114 16 PRO HA H 4.39 0.02 1 115 16 PRO HB2 H 2.31 0.02 2 116 16 PRO HB3 H 1.76 0.02 2 117 16 PRO C C 175.98 0.05 1 118 16 PRO CA C 65.39 0.20 1 119 16 PRO CB C 30.89 0.40 1 120 17 ASP H H 8.02 0.01 1 121 17 ASP HA H 4.84 0.02 1 122 17 ASP HB2 H 2.52 0.02 2 123 17 ASP HB3 H 2.62 0.02 2 124 17 ASP C C 175.80 0.05 1 125 17 ASP CA C 55.69 0.20 1 126 17 ASP CB C 44.49 0.40 1 127 17 ASP N N 113.00 0.10 1 128 18 ILE H H 8.42 0.01 1 129 18 ILE HA H 3.44 0.02 1 130 18 ILE HB H 1.89 0.02 1 131 18 ILE C C 177.51 0.05 1 132 18 ILE CA C 65.49 0.20 1 133 18 ILE CB C 37.79 0.40 1 134 18 ILE N N 119.70 0.10 1 135 19 MET H H 7.83 0.01 1 136 19 MET HA H 4.43 0.02 1 137 19 MET HB2 H 2.12 0.02 1 138 19 MET HB3 H 2.12 0.02 1 139 19 MET C C 175.80 0.05 1 140 19 MET CA C 59.49 0.20 1 141 19 MET CB C 29.09 0.40 1 142 19 MET N N 114.60 0.10 1 143 20 PRO HA H 4.48 0.02 1 144 20 PRO HB2 H 2.36 0.02 2 145 20 PRO HB3 H 1.75 0.02 2 146 20 PRO C C 180.15 0.05 1 147 20 PRO CA C 65.59 0.20 1 148 20 PRO CB C 30.69 0.40 1 149 21 CYS H H 6.77 0.01 1 150 21 CYS HA H 4.41 0.02 1 151 21 CYS HB2 H 2.74 0.02 2 152 21 CYS HB3 H 3.24 0.02 2 153 21 CYS C C 175.15 0.05 1 154 21 CYS CA C 59.59 0.20 1 155 21 CYS CB C 40.89 0.40 1 156 21 CYS N N 115.90 0.10 1 157 22 ALA H H 8.86 0.01 1 158 22 ALA HA H 3.84 0.02 1 159 22 ALA HB H 1.42 0.02 1 160 22 ALA C C 179.15 0.05 1 161 22 ALA CA C 55.49 0.20 1 162 22 ALA CB C 16.49 0.40 1 163 22 ALA N N 123.00 0.10 1 164 23 ASP H H 7.95 0.01 1 165 23 ASP HA H 4.40 0.02 1 166 23 ASP HB2 H 2.74 0.02 2 167 23 ASP HB3 H 2.93 0.02 2 168 23 ASP C C 179.25 0.05 1 169 23 ASP CA C 56.99 0.20 1 170 23 ASP CB C 40.99 0.40 1 171 23 ASP N N 116.30 0.10 1 172 24 GLU H H 8.01 0.01 1 173 24 GLU HA H 3.92 0.02 1 174 24 GLU HB2 H 2.25 0.02 2 175 24 GLU HB3 H 2.10 0.02 2 176 24 GLU C C 177.81 0.05 1 177 24 GLU CA C 58.79 0.20 1 178 24 GLU CB C 29.29 0.40 1 179 24 GLU N N 119.50 0.10 1 180 25 LEU H H 7.64 0.01 1 181 25 LEU HA H 4.22 0.02 1 182 25 LEU HB2 H 1.63 0.02 1 183 25 LEU HB3 H 1.63 0.02 1 184 25 LEU C C 175.65 0.05 1 185 25 LEU CA C 54.29 0.20 1 186 25 LEU CB C 41.89 0.40 1 187 25 LEU N N 115.60 0.10 1 188 26 HIS H H 7.75 0.01 1 189 26 HIS HA H 4.35 0.02 1 190 26 HIS HB2 H 3.35 0.02 2 191 26 HIS HB3 H 3.51 0.02 2 192 26 HIS C C 173.85 0.05 1 193 26 HIS CA C 55.79 0.20 1 194 26 HIS CB C 25.89 0.40 1 195 26 HIS N N 114.90 0.10 1 196 27 ILE H H 8.47 0.01 1 197 27 ILE HA H 4.30 0.02 1 198 27 ILE HB H 1.53 0.02 1 199 27 ILE C C 175.25 0.05 1 200 27 ILE CA C 59.69 0.20 1 201 27 ILE CB C 39.49 0.40 1 202 27 ILE N N 118.20 0.10 1 203 28 SER H H 8.36 0.01 1 204 28 SER HA H 4.26 0.02 1 205 28 SER HB2 H 3.92 0.02 2 206 28 SER HB3 H 4.12 0.02 2 207 28 SER C C 175.45 0.05 1 208 28 SER CA C 58.69 0.20 1 209 28 SER CB C 63.59 0.40 1 210 28 SER N N 120.00 0.10 1 211 29 GLU H H 8.79 0.01 1 212 29 GLU HA H 3.91 0.02 1 213 29 GLU HB2 H 2.05 0.02 1 214 29 GLU C C 177.00 0.05 1 215 29 GLU CA C 59.39 0.20 1 216 29 GLU CB C 28.79 0.40 1 217 29 GLU N N 123.00 0.10 1 218 30 ASP H H 8.31 0.01 1 219 30 ASP HA H 4.40 0.02 1 220 30 ASP HB2 H 2.61 0.02 2 221 30 ASP HB3 H 2.70 0.02 2 222 30 ASP C C 177.07 0.05 1 223 30 ASP CA C 55.59 0.20 1 224 30 ASP CB C 39.39 0.40 1 225 30 ASP N N 117.50 0.10 1 226 31 ILE H H 7.41 0.01 1 227 31 ILE HA H 3.92 0.02 1 228 31 ILE HB H 1.92 0.02 1 229 31 ILE C C 176.99 0.05 1 230 31 ILE CA C 62.49 0.20 1 231 31 ILE CB C 39.29 0.40 1 232 31 ILE N N 119.20 0.10 1 233 32 ALA H H 8.02 0.01 1 234 32 ALA HA H 3.85 0.02 1 235 32 ALA HB H 1.29 0.02 1 236 32 ALA C C 176.45 0.05 1 237 32 ALA CA C 53.99 0.20 1 238 32 ALA CB C 19.59 0.40 1 239 32 ALA N N 119.70 0.10 1 240 33 THR H H 7.64 0.01 1 241 33 THR HA H 4.16 0.02 1 242 33 THR HB H 4.24 0.02 1 243 33 THR C C 174.01 0.05 1 244 33 THR CA C 62.79 0.20 1 245 33 THR CB C 70.59 0.40 1 246 33 THR N N 117.80 0.10 1 247 34 ASN H H 7.42 0.01 1 248 34 ASN HA H 4.79 0.02 1 249 34 ASN HB2 H 2.89 0.02 2 250 34 ASN HB3 H 2.81 0.02 2 251 34 ASN C C 175.81 0.05 1 252 34 ASN CA C 52.89 0.20 1 253 34 ASN CB C 38.79 0.40 1 254 34 ASN N N 119.30 0.10 1 255 35 ILE H H 8.34 0.01 1 256 35 ILE HA H 3.96 0.02 1 257 35 ILE HB H 1.92 0.02 1 258 35 ILE C C 176.42 0.05 1 259 35 ILE CA C 62.99 0.20 1 260 35 ILE N N 121.30 0.10 1 261 36 GLN H H 8.05 0.01 1 262 36 GLN HA H 3.94 0.02 1 263 36 GLN HB2 H 2.08 0.02 2 264 36 GLN HB3 H 2.23 0.02 2 265 36 GLN C C 176.42 0.05 1 266 36 GLN CA C 56.59 0.20 1 267 36 GLN CB C 28.89 0.40 1 268 36 GLN N N 119.10 0.10 1 269 37 ALA H H 7.81 0.01 1 270 37 ALA HA H 4.20 0.02 1 271 37 ALA HB H 1.43 0.02 1 272 37 ALA C C 178.28 0.05 1 273 37 ALA CA C 53.39 0.20 1 274 37 ALA CB C 18.39 0.40 1 275 37 ALA N N 121.60 0.10 1 276 38 ALA H H 8.06 0.01 1 277 38 ALA HA H 4.12 0.02 1 278 38 ALA HB H 1.42 0.02 1 279 38 ALA C C 178.55 0.05 1 280 38 ALA CA C 54.29 0.20 1 281 38 ALA CB C 18.39 0.40 1 282 38 ALA N N 120.40 0.10 1 283 39 LYS H H 7.99 0.01 1 284 39 LYS HA H 4.23 0.02 1 285 39 LYS HB2 H 1.80 0.02 1 286 39 LYS HB3 H 1.80 0.02 1 287 39 LYS C C 176.55 0.05 1 288 39 LYS CA C 57.09 0.20 1 289 39 LYS CB C 32.59 0.40 1 290 39 LYS N N 117.60 0.10 1 291 40 ASN H H 7.95 0.01 1 292 40 ASN HA H 4.75 0.02 1 293 40 ASN HB2 H 2.91 0.02 2 294 40 ASN HB3 H 2.77 0.02 2 295 40 ASN C C 175.55 0.05 1 296 40 ASN CA C 53.19 0.20 1 297 40 ASN CB C 38.69 0.40 1 298 40 ASN N N 116.30 0.10 1 299 41 GLY H H 8.10 0.01 1 300 41 GLY HA2 H 3.90 0.02 1 301 41 GLY HA3 H 4.04 0.02 1 302 41 GLY C C 174.15 0.05 1 303 41 GLY CA C 45.29 0.20 1 304 41 GLY N N 107.60 0.10 1 305 42 ALA H H 7.89 0.01 1 306 42 ALA HA H 4.30 0.02 1 307 42 ALA HB H 1.33 0.02 1 308 42 ALA C C 177.06 0.05 1 309 42 ALA CA C 52.39 0.20 1 310 42 ALA CB C 19.29 0.40 1 311 42 ALA N N 122.30 0.10 1 312 43 ASP H H 8.32 0.01 1 313 43 ASP HA H 4.59 0.02 1 314 43 ASP HB2 H 2.71 0.02 2 315 43 ASP HB3 H 2.80 0.02 2 316 43 ASP C C 176.65 0.05 1 317 43 ASP CA C 53.99 0.20 1 318 43 ASP CB C 41.09 0.40 1 319 43 ASP N N 118.20 0.10 1 320 44 MET H H 8.50 0.01 1 321 44 MET HA H 4.51 0.02 1 322 44 MET HB2 H 2.13 0.02 2 323 44 MET HB3 H 2.05 0.02 2 324 44 MET C C 178.61 0.05 1 325 44 MET CA C 55.99 0.20 1 326 44 MET CB C 32.09 0.40 1 327 44 MET N N 122.40 0.10 1 328 45 SER H H 8.58 0.01 1 329 45 SER HA H 4.03 0.02 1 330 45 SER HB2 H 4.26 0.02 1 331 45 SER HB3 H 4.26 0.02 1 332 45 SER C C 176.18 0.05 1 333 45 SER CA C 62.49 0.20 1 334 45 SER CB C 61.29 0.20 1 335 45 SER N N 118.10 0.10 1 336 46 GLN H H 8.41 0.01 1 337 46 GLN HA H 4.32 0.02 1 338 46 GLN HB2 H 2.13 0.02 2 339 46 GLN HB3 H 2.22 0.02 2 340 46 GLN C C 177.74 0.05 1 341 46 GLN CA C 57.49 0.20 1 342 46 GLN CB C 28.69 0.40 1 343 46 GLN N N 120.30 0.10 1 344 47 LEU H H 7.93 0.01 1 345 47 LEU HA H 4.35 0.02 1 346 47 LEU HB2 H 1.76 0.02 2 347 47 LEU HB3 H 1.87 0.02 2 348 47 LEU C C 178.55 0.05 1 349 47 LEU CA C 55.99 0.20 1 350 47 LEU CB C 42.19 0.40 1 351 47 LEU N N 118.30 0.10 1 352 48 GLY H H 8.29 0.01 1 353 48 GLY HA2 H 3.70 0.02 1 354 48 GLY HA3 H 4.18 0.02 1 355 48 GLY C C 176.27 0.05 1 356 48 GLY CA C 48.09 0.20 1 357 48 GLY N N 109.60 0.10 1 358 49 CYS H H 8.23 0.01 1 359 49 CYS HA H 4.29 0.02 1 360 49 CYS HB2 H 2.59 0.02 2 361 49 CYS HB3 H 2.72 0.02 2 362 49 CYS C C 177.75 0.05 1 363 49 CYS CA C 58.39 0.20 1 364 49 CYS CB C 37.39 0.40 1 365 49 CYS N N 119.30 0.10 1 366 50 LEU H H 8.03 0.01 1 367 50 LEU HA H 4.00 0.02 1 368 50 LEU HB2 H 1.54 0.02 2 369 50 LEU HB3 H 2.30 0.02 2 370 50 LEU C C 177.55 0.05 1 371 50 LEU CA C 58.69 0.20 1 372 50 LEU CB C 40.39 0.40 1 373 50 LEU N N 124.90 0.10 1 374 51 LYS H H 8.25 0.01 1 375 51 LYS HA H 3.84 0.02 1 376 51 LYS HB2 H 1.82 0.02 1 377 51 LYS HB3 H 1.82 0.02 1 378 51 LYS C C 178.47 0.05 1 379 51 LYS CA C 60.19 0.20 1 380 51 LYS CB C 29.39 0.40 1 381 51 LYS N N 118.20 0.10 1 382 52 ALA H H 8.38 0.01 1 383 52 ALA HA H 4.10 0.02 1 384 52 ALA HB H 1.42 0.02 1 385 52 ALA C C 178.35 0.05 1 386 52 ALA CA C 54.59 0.20 1 387 52 ALA CB C 18.39 0.40 1 388 52 ALA N N 119.20 0.10 1 389 53 CYS H H 8.07 0.01 1 390 53 CYS HA H 4.17 0.02 1 391 53 CYS HB2 H 3.52 0.02 2 392 53 CYS HB3 H 3.26 0.02 2 393 53 CYS C C 176.95 0.05 1 394 53 CYS CA C 60.49 0.20 1 395 53 CYS CB C 38.09 0.40 1 396 53 CYS N N 117.90 0.10 1 397 54 VAL H H 8.14 0.01 1 398 54 VAL HA H 3.38 0.02 1 399 54 VAL HB H 2.31 0.02 1 400 54 VAL C C 177.15 0.05 1 401 54 VAL CA C 66.89 0.20 1 402 54 VAL CB C 31.79 0.40 1 403 54 VAL N N 122.60 0.10 1 404 55 MET H H 8.26 0.01 1 405 55 MET HA H 3.79 0.02 1 406 55 MET HB2 H 2.21 0.02 2 407 55 MET HB3 H 1.93 0.02 2 408 55 MET C C 178.85 0.05 1 409 55 MET CA C 59.59 0.20 1 410 55 MET CB C 33.89 0.40 1 411 55 MET N N 116.70 0.10 1 412 56 LYS H H 8.55 0.01 1 413 56 LYS HA H 4.53 0.02 1 414 56 LYS HB2 H 2.05 0.02 1 415 56 LYS HB3 H 2.05 0.02 1 416 56 LYS C C 180.85 0.05 1 417 56 LYS CA C 59.59 0.20 1 418 56 LYS CB C 32.09 0.40 1 419 56 LYS N N 119.60 0.10 1 420 57 ARG H H 8.21 0.01 1 421 57 ARG HA H 4.08 0.02 1 422 57 ARG HB2 H 2.04 0.02 2 423 57 ARG HB3 H 1.99 0.02 2 424 57 ARG C C 178.95 0.05 1 425 57 ARG CA C 60.49 0.20 1 426 57 ARG CB C 30.49 0.40 1 427 57 ARG N N 121.30 0.10 1 428 58 ILE H H 7.80 0.01 1 429 58 ILE HA H 4.56 0.02 1 430 58 ILE HB H 2.34 0.02 1 431 58 ILE C C 174.75 0.05 1 432 58 ILE CA C 61.29 0.20 1 433 58 ILE CB C 37.49 0.40 1 434 58 ILE N N 109.10 0.10 1 435 59 GLU H H 7.50 0.01 1 436 59 GLU HA H 3.78 0.02 1 437 59 GLU HB2 H 2.13 0.02 2 438 59 GLU HB3 H 2.09 0.02 2 439 59 GLU C C 174.35 0.05 1 440 59 GLU CA C 58.09 0.20 1 441 59 GLU CB C 26.09 0.40 1 442 59 GLU N N 110.90 0.10 1 443 60 MET H H 8.21 0.01 1 444 60 MET HA H 4.84 0.02 1 445 60 MET HB2 H 1.68 0.02 2 446 60 MET HB3 H 2.23 0.02 2 447 60 MET C C 173.05 0.05 1 448 60 MET CA C 56.69 0.20 1 449 60 MET CB C 34.09 0.40 1 450 60 MET N N 115.40 0.10 1 451 61 LEU H H 6.67 0.01 1 452 61 LEU HA H 5.23 0.02 1 453 61 LEU HB2 H 0.96 0.02 2 454 61 LEU HB3 H 1.42 0.02 2 455 61 LEU C C 174.85 0.05 1 456 61 LEU CA C 52.59 0.20 1 457 61 LEU CB C 45.89 0.40 1 458 61 LEU N N 119.50 0.10 1 459 62 LYS H H 8.73 0.01 1 460 62 LYS HA H 4.50 0.02 1 461 62 LYS HB2 H 1.81 0.02 1 462 62 LYS HB3 H 1.81 0.02 1 463 62 LYS C C 176.35 0.05 1 464 62 LYS CA C 55.59 0.20 1 465 62 LYS CB C 33.49 0.40 1 466 62 LYS N N 125.80 0.10 1 467 63 GLY H H 9.04 0.01 1 468 63 GLY HA2 H 4.19 0.02 1 469 63 GLY HA3 H 3.67 0.02 1 470 63 GLY C C 173.75 0.05 1 471 63 GLY CA C 46.89 0.20 1 472 63 GLY N N 117.00 0.10 1 473 64 THR H H 8.60 0.01 1 474 64 THR HA H 4.24 0.02 1 475 64 THR HB H 4.58 0.02 1 476 64 THR C C 172.85 0.05 1 477 64 THR CA C 60.69 0.20 1 478 64 THR CB C 68.39 0.40 1 479 64 THR N N 115.90 0.10 1 480 65 GLU H H 7.98 0.01 1 481 65 GLU HA H 4.42 0.02 1 482 65 GLU HB2 H 1.88 0.02 2 483 65 GLU HB3 H 2.12 0.02 2 484 65 GLU C C 173.95 0.05 1 485 65 GLU CA C 55.29 0.20 1 486 65 GLU CB C 32.09 0.40 1 487 65 GLU N N 121.30 0.10 1 488 66 LEU H H 7.82 0.01 1 489 66 LEU HA H 5.25 0.02 1 490 66 LEU HB2 H 0.94 0.02 2 491 66 LEU HB3 H 1.58 0.02 2 492 66 LEU C C 176.25 0.05 1 493 66 LEU CA C 52.79 0.20 1 494 66 LEU CB C 45.09 0.40 1 495 66 LEU N N 120.90 0.10 1 496 67 TYR H H 9.14 0.01 1 497 67 TYR HA H 4.55 0.02 1 498 67 TYR HB2 H 3.16 0.02 2 499 67 TYR HB3 H 2.81 0.02 2 500 67 TYR C C 174.85 0.05 1 501 67 TYR CA C 56.69 0.20 1 502 67 TYR CB C 40.09 0.40 1 503 67 TYR N N 121.30 0.10 1 504 68 VAL H H 8.07 0.01 1 505 68 VAL HA H 3.91 0.02 1 506 68 VAL HB H 1.75 0.02 1 507 68 VAL C C 176.85 0.05 1 508 68 VAL CA C 62.69 0.20 1 509 68 VAL CB C 33.19 0.40 1 510 68 VAL N N 117.20 0.10 1 511 69 GLU H H 8.91 0.01 1 512 69 GLU HA H 3.83 0.02 1 513 69 GLU HB2 H 2.01 0.02 2 514 69 GLU HB3 H 2.19 0.02 2 515 69 GLU C C 175.95 0.05 1 516 69 GLU CA C 62.89 0.20 1 517 69 GLU CB C 26.29 0.40 1 518 69 GLU N N 123.20 0.10 1 519 70 PRO HA H 4.37 0.02 1 520 70 PRO HB2 H 1.52 0.02 2 521 70 PRO HB3 H 2.60 0.02 2 522 70 PRO C C 179.38 0.05 1 523 70 PRO CA C 65.09 0.20 1 524 70 PRO CB C 32.29 0.40 1 525 71 VAL H H 7.46 0.01 1 526 71 VAL HA H 3.82 0.02 1 527 71 VAL HB H 2.37 0.02 1 528 71 VAL C C 177.91 0.05 1 529 71 VAL CA C 65.09 0.20 1 530 71 VAL CB C 31.49 0.40 1 531 71 VAL N N 116.90 0.10 1 532 72 TYR H H 8.28 0.01 1 533 72 TYR HA H 4.43 0.02 1 534 72 TYR HB2 H 3.67 0.02 2 535 72 TYR HB3 H 3.18 0.02 2 536 72 TYR C C 177.68 0.05 1 537 72 TYR CA C 58.39 0.20 1 538 72 TYR CB C 35.49 0.40 1 539 72 TYR N N 119.90 0.10 1 540 73 LYS H H 7.80 0.01 1 541 73 LYS HA H 4.05 0.02 1 542 73 LYS HB2 H 1.98 0.02 1 543 73 LYS HB3 H 1.98 0.02 1 544 73 LYS C C 177.83 0.05 1 545 73 LYS CA C 59.69 0.20 1 546 73 LYS CB C 31.89 0.40 1 547 73 LYS N N 116.50 0.10 1 548 74 MET H H 7.14 0.01 1 549 74 MET HA H 3.51 0.02 1 550 74 MET HB2 H 1.92 0.02 2 551 74 MET HB3 H 1.26 0.02 2 552 74 MET C C 177.65 0.05 1 553 74 MET CA C 58.39 0.20 1 554 74 MET CB C 29.89 0.40 1 555 74 MET N N 117.70 0.10 1 556 75 ILE H H 8.83 0.01 1 557 75 ILE HA H 3.63 0.02 1 558 75 ILE HB H 2.09 0.02 1 559 75 ILE C C 177.10 0.05 1 560 75 ILE CA C 65.79 0.20 1 561 75 ILE CB C 38.49 0.40 1 562 75 ILE N N 120.80 0.10 1 563 76 GLU H H 7.98 0.01 1 564 76 GLU HA H 3.77 0.02 1 565 76 GLU HB2 H 2.21 0.02 2 566 76 GLU HB3 H 2.08 0.02 2 567 76 GLU C C 177.45 0.05 1 568 76 GLU CA C 58.79 0.20 1 569 76 GLU CB C 29.09 0.40 1 570 76 GLU N N 115.70 0.10 1 571 77 VAL H H 7.24 0.01 1 572 77 VAL HA H 3.94 0.02 1 573 77 VAL HB H 2.14 0.02 1 574 77 VAL C C 178.45 0.05 1 575 77 VAL CA C 65.39 0.20 1 576 77 VAL CB C 32.29 0.20 1 577 77 VAL N N 116.40 0.10 1 578 78 VAL H H 8.66 0.01 1 579 78 VAL HA H 3.33 0.02 1 580 78 VAL HB H 1.32 0.02 1 581 78 VAL C C 176.65 0.05 1 582 78 VAL CA C 66.39 0.20 1 583 78 VAL CB C 31.59 0.40 1 584 78 VAL N N 119.60 0.10 1 585 79 HIS H H 8.29 0.01 1 586 79 HIS HA H 4.59 0.02 1 587 79 HIS HB2 H 3.03 0.02 2 588 79 HIS HB3 H 3.40 0.02 2 589 79 HIS C C 172.65 0.05 1 590 79 HIS CA C 54.79 0.20 1 591 79 HIS CB C 26.99 0.40 1 592 79 HIS N N 114.10 0.10 1 593 80 ALA H H 6.54 0.01 1 594 80 ALA HA H 3.98 0.02 1 595 80 ALA HB H 1.53 0.02 1 596 80 ALA C C 178.45 0.05 1 597 80 ALA CA C 53.99 0.20 1 598 80 ALA CB C 18.89 0.40 1 599 80 ALA N N 119.20 0.10 1 600 81 GLY H H 8.91 0.01 1 601 81 GLY HA2 H 3.70 0.02 1 602 81 GLY HA3 H 4.34 0.02 1 603 81 GLY C C 173.85 0.05 1 604 81 GLY CA C 44.69 0.20 1 605 81 GLY N N 108.30 0.10 1 606 82 ASN H H 7.61 0.01 1 607 82 ASN HA H 5.00 0.02 1 608 82 ASN HB2 H 2.73 0.02 2 609 82 ASN HB3 H 3.14 0.02 2 610 82 ASN C C 173.85 0.05 1 611 82 ASN CA C 52.09 0.20 1 612 82 ASN CB C 39.29 0.40 1 613 82 ASN N N 118.00 0.10 1 614 83 ALA H H 8.74 0.01 1 615 83 ALA HA H 4.00 0.02 1 616 83 ALA HB H 1.46 0.02 1 617 83 ALA C C 179.85 0.05 1 618 83 ALA CA C 55.29 0.20 1 619 83 ALA CB C 18.79 0.40 1 620 83 ALA N N 126.30 0.10 1 621 84 ASP H H 8.26 0.01 1 622 84 ASP HA H 4.41 0.02 1 623 84 ASP HB2 H 2.71 0.02 2 624 84 ASP HB3 H 2.78 0.02 2 625 84 ASP C C 178.65 0.05 1 626 84 ASP CA C 56.99 0.20 1 627 84 ASP CB C 39.89 0.40 1 628 84 ASP N N 117.50 0.10 1 629 85 ASP H H 7.95 0.01 1 630 85 ASP HA H 4.33 0.02 1 631 85 ASP HB2 H 2.34 0.02 2 632 85 ASP HB3 H 2.87 0.02 2 633 85 ASP C C 177.35 0.05 1 634 85 ASP CA C 56.59 0.20 1 635 85 ASP CB C 39.29 0.40 1 636 85 ASP N N 121.50 0.10 1 637 86 ILE H H 8.00 0.01 1 638 86 ILE HA H 3.17 0.02 1 639 86 ILE HB H 1.81 0.02 1 640 86 ILE C C 176.85 0.05 1 641 86 ILE CA C 66.19 0.20 1 642 86 ILE CB C 37.69 0.40 1 643 86 ILE N N 118.40 0.10 1 644 87 GLN H H 7.57 0.01 1 645 87 GLN HA H 3.87 0.02 1 646 87 GLN HB2 H 2.15 0.02 1 647 87 GLN HB3 H 2.15 0.02 1 648 87 GLN C C 178.75 0.05 1 649 87 GLN CA C 58.79 0.20 1 650 87 GLN CB C 28.59 0.40 1 651 87 GLN N N 115.90 0.10 1 652 88 LEU H H 7.87 0.01 1 653 88 LEU HA H 4.04 0.02 1 654 88 LEU HB2 H 1.78 0.02 2 655 88 LEU HB3 H 1.89 0.02 2 656 88 LEU C C 179.65 0.05 1 657 88 LEU CA C 57.99 0.20 1 658 88 LEU CB C 42.29 0.40 1 659 88 LEU N N 121.10 0.10 1 660 89 VAL H H 8.68 0.01 1 661 89 VAL HA H 3.44 0.02 1 662 89 VAL HB H 1.73 0.02 1 663 89 VAL C C 178.15 0.05 1 664 89 VAL CA C 66.09 0.20 1 665 89 VAL CB C 30.69 0.40 1 666 89 VAL N N 119.50 0.10 1 667 90 LYS H H 8.49 0.01 1 668 90 LYS HA H 3.87 0.02 1 669 90 LYS HB2 H 1.76 0.02 2 670 90 LYS HB3 H 1.51 0.02 2 671 90 LYS C C 178.85 0.05 1 672 90 LYS CA C 61.49 0.20 1 673 90 LYS CB C 32.29 0.40 1 674 90 LYS N N 119.90 0.10 1 675 91 GLY H H 7.54 0.01 1 676 91 GLY HA2 H 3.98 0.02 1 677 91 GLY HA3 H 3.95 0.02 1 678 91 GLY C C 176.65 0.05 1 679 91 GLY CA C 47.29 0.20 1 680 91 GLY N N 104.60 0.10 1 681 92 ILE H H 7.60 0.01 1 682 92 ILE HA H 3.57 0.02 1 683 92 ILE HB H 1.83 0.02 1 684 92 ILE C C 177.15 0.05 1 685 92 ILE CA C 65.29 0.20 1 686 92 ILE CB C 37.89 0.40 1 687 92 ILE N N 124.00 0.10 1 688 93 ALA H H 8.76 0.01 1 689 93 ALA HA H 4.23 0.02 1 690 93 ALA HB H 1.75 0.02 1 691 93 ALA C C 180.85 0.05 1 692 93 ALA CA C 54.39 0.20 1 693 93 ALA CB C 18.79 0.40 1 694 93 ALA N N 120.30 0.10 1 695 94 ASN H H 7.99 0.01 1 696 94 ASN HA H 4.62 0.02 1 697 94 ASN HB2 H 2.97 0.02 2 698 94 ASN HB3 H 3.18 0.02 2 699 94 ASN C C 178.05 0.05 1 700 94 ASN CA C 56.09 0.20 1 701 94 ASN CB C 39.39 0.40 1 702 94 ASN N N 113.70 0.10 1 703 95 GLU H H 8.60 0.01 1 704 95 GLU HA H 4.10 0.02 1 705 95 GLU HB2 H 2.01 0.02 2 706 95 GLU HB3 H 2.22 0.02 2 707 95 GLU C C 179.95 0.05 1 708 95 GLU CA C 59.79 0.20 1 709 95 GLU CB C 29.39 0.40 1 710 95 GLU N N 121.70 0.10 1 711 96 CYS H H 8.55 0.01 1 712 96 CYS HA H 4.66 0.02 1 713 96 CYS HB2 H 2.45 0.02 2 714 96 CYS HB3 H 2.67 0.02 2 715 96 CYS C C 177.05 0.05 1 716 96 CYS CA C 56.09 0.20 1 717 96 CYS CB C 37.39 0.40 1 718 96 CYS N N 114.40 0.10 1 719 97 ILE H H 7.92 0.01 1 720 97 ILE HA H 3.89 0.02 1 721 97 ILE HB H 2.44 0.02 1 722 97 ILE C C 178.15 0.05 1 723 97 ILE CA C 65.39 0.20 1 724 97 ILE CB C 39.19 0.40 1 725 97 ILE N N 122.50 0.10 1 726 98 GLU H H 7.47 0.01 1 727 98 GLU HA H 4.05 0.02 1 728 98 GLU HB2 H 2.22 0.02 1 729 98 GLU HB3 H 2.22 0.02 1 730 98 GLU C C 178.55 0.05 1 731 98 GLU CA C 58.49 0.20 1 732 98 GLU CB C 29.19 0.40 1 733 98 GLU N N 116.90 0.10 1 734 99 ASN H H 7.68 0.01 1 735 99 ASN HA H 4.54 0.02 1 736 99 ASN HB2 H 2.82 0.02 2 737 99 ASN HB3 H 2.86 0.02 2 738 99 ASN C C 175.35 0.05 1 739 99 ASN CA C 55.09 0.20 1 740 99 ASN CB C 38.89 0.40 1 741 99 ASN N N 115.30 0.10 1 742 100 ALA H H 7.53 0.01 1 743 100 ALA HA H 4.39 0.02 1 744 100 ALA HB H 1.54 0.02 1 745 100 ALA C C 176.25 0.05 1 746 100 ALA CA C 51.79 0.20 1 747 100 ALA CB C 19.79 0.40 1 748 100 ALA N N 118.50 0.10 1 749 101 LYS H H 7.32 0.01 1 750 101 LYS HA H 4.16 0.02 1 751 101 LYS HB2 H 1.96 0.02 2 752 101 LYS HB3 H 1.91 0.02 2 753 101 LYS C C 177.15 0.05 1 754 101 LYS CA C 58.09 0.20 1 755 101 LYS CB C 32.29 0.40 1 756 101 LYS N N 117.90 0.10 1 757 102 GLY H H 8.70 0.01 1 758 102 GLY HA2 H 4.18 0.02 1 759 102 GLY HA3 H 3.78 0.02 1 760 102 GLY C C 174.25 0.05 1 761 102 GLY CA C 44.89 0.20 1 762 102 GLY N N 110.50 0.10 1 763 103 GLU H H 7.50 0.01 1 764 103 GLU HA H 4.43 0.02 1 765 103 GLU HB2 H 2.00 0.02 2 766 103 GLU HB3 H 2.10 0.02 2 767 103 GLU C C 176.05 0.05 1 768 103 GLU CA C 55.29 0.20 1 769 103 GLU CB C 30.69 0.40 1 770 103 GLU N N 119.20 0.10 1 771 104 THR H H 8.23 0.01 1 772 104 THR HA H 4.45 0.02 1 773 104 THR HB H 4.38 0.02 1 774 104 THR C C 173.85 0.05 1 775 104 THR CA C 61.49 0.20 1 776 104 THR CB C 69.89 0.40 1 777 104 THR N N 111.30 0.10 1 778 105 ASP H H 8.42 0.01 1 779 105 ASP HA H 4.84 0.02 1 780 105 ASP HB2 H 2.61 0.02 2 781 105 ASP HB3 H 2.93 0.02 2 782 105 ASP C C 177.05 0.05 1 783 105 ASP CA C 52.89 0.20 1 784 105 ASP CB C 42.89 0.40 1 785 105 ASP N N 122.90 0.10 1 786 106 GLU H H 9.18 0.01 1 787 106 GLU HA H 3.87 0.02 1 788 106 GLU HB2 H 2.01 0.02 2 789 106 GLU HB3 H 2.20 0.02 2 790 106 GLU C C 176.96 0.05 1 791 106 GLU CA C 58.89 0.20 1 792 106 GLU CB C 29.59 0.40 1 793 106 GLU N N 125.40 0.10 1 794 107 CYS H H 8.36 0.01 1 795 107 CYS HA H 4.22 0.02 1 796 107 CYS HB2 H 2.81 0.02 2 797 107 CYS HB3 H 3.78 0.02 2 798 107 CYS C C 175.71 0.05 1 799 107 CYS CA C 59.99 0.20 1 800 107 CYS CB C 29.89 0.40 1 801 107 CYS N N 117.20 0.10 1 802 108 ASN H H 7.82 0.01 1 803 108 ASN HA H 4.67 0.02 1 804 108 ASN HB2 H 2.81 0.02 2 805 108 ASN HB3 H 3.07 0.02 2 806 108 ASN C C 178.27 0.05 1 807 108 ASN CA C 55.09 0.20 1 808 108 ASN CB C 37.59 0.40 1 809 108 ASN N N 118.00 0.10 1 810 109 ILE H H 8.20 0.01 1 811 109 ILE HA H 3.44 0.02 1 812 109 ILE HB H 1.99 0.02 1 813 109 ILE C C 177.25 0.05 1 814 109 ILE CA C 66.99 0.20 1 815 109 ILE CB C 37.39 0.40 1 816 109 ILE N N 121.30 0.10 1 817 110 GLY H H 8.11 0.01 1 818 110 GLY HA2 H 3.88 0.02 1 819 110 GLY HA3 H 3.83 0.02 1 820 110 GLY C C 175.77 0.05 1 821 110 GLY CA C 47.39 0.20 1 822 110 GLY N N 104.10 0.10 1 823 111 ASN H H 7.52 0.01 1 824 111 ASN HA H 4.47 0.02 1 825 111 ASN HB2 H 2.85 0.02 1 826 111 ASN HB3 H 2.85 0.02 1 827 111 ASN C C 176.01 0.05 1 828 111 ASN CA C 55.79 0.20 1 829 111 ASN CB C 38.39 0.40 1 830 111 ASN N N 118.80 0.10 1 831 112 LYS H H 8.79 0.01 1 832 112 LYS HA H 4.07 0.02 1 833 112 LYS HB2 H 1.92 0.02 2 834 112 LYS HB3 H 1.76 0.02 2 835 112 LYS C C 180.03 0.05 1 836 112 LYS CA C 59.29 0.20 1 837 112 LYS CB C 32.89 0.40 1 838 112 LYS N N 118.50 0.10 1 839 113 TYR H H 8.85 0.01 1 840 113 TYR HA H 3.95 0.02 1 841 113 TYR HB2 H 2.79 0.02 2 842 113 TYR HB3 H 2.86 0.02 2 843 113 TYR C C 176.55 0.05 1 844 113 TYR CA C 63.09 0.20 1 845 113 TYR CB C 39.39 0.40 1 846 113 TYR N N 117.30 0.10 1 847 114 THR H H 7.44 0.01 1 848 114 THR HA H 3.67 0.02 1 849 114 THR HB H 4.35 0.02 1 850 114 THR C C 175.47 0.05 1 851 114 THR CA C 66.79 0.20 1 852 114 THR CB C 68.69 0.40 1 853 114 THR N N 110.80 0.10 1 854 115 ASP H H 8.54 0.01 1 855 115 ASP HA H 4.32 0.02 1 856 115 ASP HB2 H 2.56 0.02 2 857 115 ASP HB3 H 2.71 0.02 2 858 115 ASP C C 178.01 0.05 1 859 115 ASP CA C 57.19 0.20 1 860 115 ASP CB C 39.39 0.40 1 861 115 ASP N N 120.20 0.10 1 862 116 CYS H H 7.00 0.01 1 863 116 CYS HA H 4.14 0.02 1 864 116 CYS HB2 H 3.05 0.02 2 865 116 CYS HB3 H 3.27 0.02 2 866 116 CYS C C 173.80 0.05 1 867 116 CYS CA C 59.19 0.20 1 868 116 CYS CB C 36.39 0.40 1 869 116 CYS N N 117.70 0.10 1 870 117 TYR H H 7.95 0.01 1 871 117 TYR HA H 3.52 0.02 1 872 117 TYR HB2 H 2.34 0.02 2 873 117 TYR HB3 H 3.05 0.02 2 874 117 TYR C C 177.20 0.05 1 875 117 TYR CA C 60.89 0.20 1 876 117 TYR CB C 40.19 0.40 1 877 117 TYR N N 122.80 0.10 1 878 118 ILE H H 8.44 0.01 1 879 118 ILE HA H 3.78 0.02 1 880 118 ILE HB H 2.01 0.02 1 881 118 ILE C C 177.91 0.05 1 882 118 ILE CA C 63.79 0.20 1 883 118 ILE CB C 38.39 0.40 1 884 118 ILE N N 114.30 0.10 1 885 119 GLU H H 7.86 0.01 1 886 119 GLU HA H 4.00 0.02 1 887 119 GLU HB2 H 2.08 0.02 2 888 119 GLU HB3 H 2.14 0.02 2 889 119 GLU C C 179.30 0.05 1 890 119 GLU CA C 59.09 0.20 1 891 119 GLU CB C 29.29 0.40 1 892 119 GLU N N 118.80 0.10 1 893 120 LYS H H 7.80 0.01 1 894 120 LYS HA H 4.01 0.02 1 895 120 LYS HB2 H 1.76 0.02 2 896 120 LYS HB3 H 1.58 0.02 2 897 120 LYS C C 178.62 0.05 1 898 120 LYS CA C 58.49 0.20 1 899 120 LYS CB C 33.19 0.40 1 900 120 LYS N N 115.40 0.10 1 901 121 LEU H H 8.14 0.01 1 902 121 LEU HA H 3.78 0.02 1 903 121 LEU HB2 H 1.14 0.02 2 904 121 LEU HB3 H 1.34 0.02 2 905 121 LEU C C 177.38 0.05 1 906 121 LEU CA C 57.19 0.20 1 907 121 LEU CB C 42.49 0.40 1 908 121 LEU N N 119.80 0.10 1 909 122 PHE H H 7.43 0.01 1 910 122 PHE HA H 4.90 0.02 1 911 122 PHE HB2 H 2.95 0.02 2 912 122 PHE HB3 H 3.50 0.02 2 913 122 PHE C C 175.25 0.05 1 914 122 PHE CA C 56.09 0.20 1 915 122 PHE CB C 38.49 0.40 1 916 122 PHE N N 112.80 0.10 1 917 123 SER H H 7.35 0.01 1 918 123 SER HA H 4.36 0.02 1 919 123 SER HB2 H 3.97 0.02 1 920 123 SER HB3 H 3.97 0.02 1 921 123 SER C C 178.61 0.05 1 922 123 SER CA C 60.39 0.20 1 923 123 SER CB C 64.69 0.40 1 924 123 SER N N 120.20 0.10 1 stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref_1 _Saveframe_category citation _PubMed_ID 11168415 _Citation_full ; Briand L, Nespoulous C, Huet JC, Takahashi M, Pernollet JC. Ligand binding and physico-chemical properties of ASP2, a recombinant odorant-binding protein from honeybee (Apis mellifera L.). Eur J Biochem. 2001 Feb;268(3):752-60. ; save_ save_ref_2 _Saveframe_category citation _PubMed_ID 10092496 _Citation_full ; Briand L, Perez V, Huet JC, Danty E, Masson C, Pernollet JC. Optimization of the production of a honeybee odorant-binding protein by Pichia pastoris. Protein Expr Purif. 1999 Apr;15(3):362-9. ; save_ save_ref_3 _Saveframe_category citation _PubMed_ID 10460253 _Citation_full ; Danty E, Briand L, Michard-Vanhee C, Perez V, Arnold G, Gaudemer O, Huet D, Huet JC, Ouali C, Masson C, Pernollet JC. Cloning and expression of a queen pheromone-binding protein in the honeybee: an olfactory-specific, developmentally regulated protein. J Neurosci. 1999 Sep 1;19(17):7468-75. ; save_