data_6518 #Corrected using PDB structure: 1YX3A # #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 # 61 Q HA 2.43 3.22 # 93 Y HA 4.99 4.13 # 94 G HA 4.05 2.86 # #After reference correction, the following residues still #have a CA chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 26 W CA 63.22 56.94 # #After reference correction, the following residues still #have a CB chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 25 D CB 41.26 47.38 # #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 W N 117.04 135.00 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #-0.04 -0.48 -0.24 -0.27 0.54 -0.01 # #bmr6518.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr6518.str file): #HA CA CB CO N HN #N/A -0.36 -0.36 -0.27 +0.54 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.03 +/-0.19 +/-0.18 +/-0.19 +/-0.35 +/-0.07 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.804 0.954 0.991 0.739 0.802 0.544 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.140 0.994 0.902 0.944 1.749 0.350 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; H,C,N chemical shift assignments for Allochromatium DsrC: Northeast Structural Genomics Consortium target OP4 ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cort John R. . 2 Kennedy Michael A. . stop_ _BMRB_accession_number 6518 _BMRB_flat_file_name bmr6518.str _Entry_type new _Submission_date 2005-02-19 _Accession_date 2005-02-21 _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" 640 "13C chemical shifts" 484 "15N chemical shifts" 113 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title "H,C,N Chemical Shift Assignments of A. vinosum DsrC" _Citation_status published _Citation_type "BMRB only" _PubMed_ID . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cort John R. . 2 Kennedy Michael A. . stop_ _Journal_abbreviation ? _Journal_volume ? _Journal_issue ? _Page_first ? _Page_last ? _Year ? save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name DsrC _Abbreviation_common ? loop_ _Mol_system_component_name _Mol_label DsrC $DsrC stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state "all free" loop_ _Biological_function "putative gamma subunit of dissimilatory sulfite reductase" "component of sulfide oxidation system in Allochromatium vinosum" stop_ _Details polypeptide save_ ######################## # Monomeric polymers # ######################## save_DsrC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common DsrC _Mol_thiol_state "all free" ############################## # Polymer residue sequence # ############################## _Residue_count 112 _Mol_residue_sequence ; MADTIEVDGKQFAVDEEGYL SNLNDWVPGVADVMAKQDNL ELTEEHWDIINFLREYYEEY QIAPAVRVLTKAVGKKLGKE KGNSKYLYSLFPYGPAKQAC RFAGLPKPTGCV ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 ASP 4 THR 5 ILE 6 GLU 7 VAL 8 ASP 9 GLY 10 LYS 11 GLN 12 PHE 13 ALA 14 VAL 15 ASP 16 GLU 17 GLU 18 GLY 19 TYR 20 LEU 21 SER 22 ASN 23 LEU 24 ASN 25 ASP 26 TRP 27 VAL 28 PRO 29 GLY 30 VAL 31 ALA 32 ASP 33 VAL 34 MET 35 ALA 36 LYS 37 GLN 38 ASP 39 ASN 40 LEU 41 GLU 42 LEU 43 THR 44 GLU 45 GLU 46 HIS 47 TRP 48 ASP 49 ILE 50 ILE 51 ASN 52 PHE 53 LEU 54 ARG 55 GLU 56 TYR 57 TYR 58 GLU 59 GLU 60 TYR 61 GLN 62 ILE 63 ALA 64 PRO 65 ALA 66 VAL 67 ARG 68 VAL 69 LEU 70 THR 71 LYS 72 ALA 73 VAL 74 GLY 75 LYS 76 LYS 77 LEU 78 GLY 79 LYS 80 GLU 81 LYS 82 GLY 83 ASN 84 SER 85 LYS 86 TYR 87 LEU 88 TYR 89 SER 90 LEU 91 PHE 92 PRO 93 TYR 94 GLY 95 PRO 96 ALA 97 LYS 98 GLN 99 ALA 100 CYS 101 ARG 102 PHE 103 ALA 104 GLY 105 LEU 106 PRO 107 LYS 108 PRO 109 THR 110 GLY 111 CYS 112 VAL stop_ _Sequence_homology_query_date 2005-09-22 _Sequence_homology_query_revised_last_date 2005-08-25 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 1YX3 "A Chain A, Nmr Structure Of AllochromatiumVinosum Dsrc: Northeast Structural Genomics ConsortiumTarget Op4" 84.85 132 100 100 3e-61 GenBank AAC35399.1 "DsrC [Allochromatium vinosum]" 100.00 112 100 100 3e-61 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $DsrC "Allochromatium vinosum" 1049 Eubacteria "Not applicable" Allochromatium vinosum 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 $DsrC "recombinant technology" "E. coli" Escherichia coli BL21(DE3) ? 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 DsrC 1 mM "[U-13C; U-15N]" NaCl 500 mM ? "Sodium Phosphate" 50 mM ? DTT 5 mM ? stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 save_ save_800MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Saveframe_category NMR_applied_experiment _Experiment_name ; 1H15N_HSQC 1H13C_HSQC HNCACB CBCACONH HCCH-TOCSY CC-TOCSY-NH HCC-TOCSY-NH HNHA ; save_ save_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 1 K pH 7.4 0.1 pH stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 DSS H 1 "methyl protons" ppm 0.0 internal direct ? ? ? 1.0 DSS C 13 "methyl protons" ppm 0.0 . indirect ? ? ? 0.251449530 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 (geminal atoms and geminal methyl # # groups with identical chemical shifts # # are assumed to be assigned to # # stereospecific atoms) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 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) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name DsrC 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 HE H 2.09 0.02 1 2 1 MET C C 175.03 0.2 1 3 1 MET CA C 54.94 0.2 1 4 1 MET CB C 32.74 0.2 1 5 1 MET CE C 16.74 0.2 1 6 2 ALA H H 8.29 0.02 1 7 2 ALA HA H 4.44 0.02 1 8 2 ALA HB H 1.48 0.02 1 9 2 ALA C C 176.83 0.2 1 10 2 ALA CA C 52.14 0.2 1 11 2 ALA CB C 19.44 0.2 1 12 2 ALA N N 125.94 0.2 1 13 3 ASP H H 8.39 0.02 1 14 3 ASP HA H 4.73 0.02 1 15 3 ASP HB2 H 2.64 0.02 2 16 3 ASP HB3 H 2.76 0.02 2 17 3 ASP C C 175.43 0.2 1 18 3 ASP CA C 54.04 0.2 1 19 3 ASP CB C 41.54 0.2 1 20 3 ASP N N 119.94 0.2 1 21 4 THR H H 7.97 0.02 1 22 4 THR HA H 5.39 0.02 1 23 4 THR HB H 4.01 0.02 1 24 4 THR HG2 H 1.06 0.02 1 25 4 THR C C 174.33 0.2 1 26 4 THR CA C 59.54 0.2 1 27 4 THR CB C 72.94 0.2 1 28 4 THR CG2 C 21.34 0.2 1 29 4 THR N N 110.24 0.2 1 30 5 ILE H H 8.88 0.02 1 31 5 ILE HA H 4.65 0.02 1 32 5 ILE HB H 1.79 0.02 1 33 5 ILE HG12 H 1.15 0.02 2 34 5 ILE HG13 H 1.53 0.02 2 35 5 ILE HG2 H 0.91 0.02 1 36 5 ILE HD1 H 0.80 0.02 1 37 5 ILE C C 173.33 0.2 1 38 5 ILE CA C 59.54 0.2 1 39 5 ILE CB C 41.14 0.2 1 40 5 ILE CG1 C 25.84 0.2 1 41 5 ILE CG2 C 17.24 0.2 1 42 5 ILE CD1 C 14.64 0.2 1 43 5 ILE N N 116.34 0.2 1 44 6 GLU H H 8.37 0.02 1 45 6 GLU HA H 5.24 0.02 1 46 6 GLU HB2 H 1.85 0.02 2 47 6 GLU HB3 H 1.92 0.02 2 48 6 GLU HG2 H 1.89 0.02 2 49 6 GLU HG3 H 2.01 0.02 2 50 6 GLU C C 175.33 0.2 1 51 6 GLU CA C 54.54 0.2 1 52 6 GLU CB C 31.54 0.2 1 53 6 GLU CG C 36.54 0.2 1 54 6 GLU N N 124.54 0.2 1 55 7 VAL H H 8.84 0.02 1 56 7 VAL HA H 4.15 0.02 1 57 7 VAL HB H 1.97 0.02 1 58 7 VAL HG1 H 0.69 0.02 1 59 7 VAL HG2 H 0.66 0.02 1 60 7 VAL C C 175.33 0.2 1 61 7 VAL CA C 60.74 0.2 1 62 7 VAL CB C 33.64 0.2 1 63 7 VAL CG1 C 20.24 0.2 1 64 7 VAL CG2 C 20.44 0.2 1 65 7 VAL N N 125.74 0.2 1 66 8 ASP H H 9.27 0.02 1 67 8 ASP HA H 4.28 0.02 1 68 8 ASP HB2 H 2.57 0.02 2 69 8 ASP HB3 H 2.97 0.02 2 70 8 ASP C C 175.63 0.2 1 71 8 ASP CA C 55.24 0.2 1 72 8 ASP CB C 39.74 0.2 1 73 8 ASP N N 129.14 0.2 1 74 9 GLY H H 8.59 0.02 1 75 9 GLY HA2 H 3.62 0.02 2 76 9 GLY HA3 H 4.14 0.02 2 77 9 GLY C C 173.43 0.2 1 78 9 GLY CA C 45.24 0.2 1 79 9 GLY N N 104.14 0.2 1 80 10 LYS H H 7.87 0.02 1 81 10 LYS HA H 4.48 0.02 1 82 10 LYS HB2 H 1.56 0.02 2 83 10 LYS HB3 H 1.66 0.02 2 84 10 LYS HG2 H 1.18 0.02 2 85 10 LYS HG3 H 1.33 0.02 2 86 10 LYS HD2 H 1.68 0.02 2 87 10 LYS HD3 H 1.71 0.02 2 88 10 LYS HE2 H 2.96 0.02 2 89 10 LYS HE3 H 2.98 0.02 2 90 10 LYS C C 174.23 0.2 1 91 10 LYS CA C 54.44 0.2 1 92 10 LYS CB C 34.34 0.2 1 93 10 LYS CG C 24.54 0.2 1 94 10 LYS CD C 28.54 0.2 1 95 10 LYS CE C 42.04 0.2 1 96 10 LYS N N 122.84 0.2 1 97 11 GLN H H 8.16 0.02 1 98 11 GLN HA H 4.99 0.02 1 99 11 GLN HB2 H 1.75 0.02 2 100 11 GLN HB3 H 1.91 0.02 2 101 11 GLN HG2 H 2.18 0.02 2 102 11 GLN HG3 H 2.32 0.02 2 103 11 GLN HE21 H 6.76 0.02 2 104 11 GLN HE22 H 7.53 0.02 2 105 11 GLN C C 175.63 0.2 1 106 11 GLN CA C 54.34 0.2 1 107 11 GLN CB C 29.74 0.2 1 108 11 GLN CG C 33.54 0.2 1 109 11 GLN CD C 179.54 0.2 1 110 11 GLN N N 120.24 0.2 1 111 11 GLN NE2 N 112.20 0.2 1 112 12 PHE H H 9.11 0.02 1 113 12 PHE HA H 5.04 0.02 1 114 12 PHE HB2 H 2.77 0.02 2 115 12 PHE HB3 H 2.98 0.02 2 116 12 PHE HD1 H 7.14 0.02 3 117 12 PHE HE1 H 7.30 0.02 3 118 12 PHE HZ H 7.18 0.02 1 119 12 PHE C C 174.63 0.2 1 120 12 PHE CA C 54.94 0.2 1 121 12 PHE CB C 40.94 0.2 1 122 12 PHE CD1 C 130.34 0.2 3 123 12 PHE CE1 C 130.94 0.2 3 124 12 PHE CZ C 129.14 0.2 1 125 12 PHE N N 123.24 0.2 1 126 13 ALA H H 8.94 0.02 1 127 13 ALA HA H 4.71 0.02 1 128 13 ALA HB H 1.53 0.02 1 129 13 ALA C C 177.33 0.2 1 130 13 ALA CA C 52.74 0.2 1 131 13 ALA CB C 18.94 0.2 1 132 13 ALA N N 126.34 0.2 1 133 14 VAL H H 8.08 0.02 1 134 14 VAL HA H 5.20 0.02 1 135 14 VAL HB H 1.86 0.02 1 136 14 VAL HG1 H 0.76 0.02 1 137 14 VAL HG2 H 0.73 0.02 1 138 14 VAL C C 175.43 0.2 1 139 14 VAL CA C 58.44 0.2 1 140 14 VAL CB C 36.14 0.2 1 141 14 VAL CG1 C 21.84 0.2 1 142 14 VAL CG2 C 18.14 0.2 1 143 14 VAL N N 115.34 0.2 1 144 15 ASP H H 9.01 0.02 1 145 15 ASP HA H 4.72 0.02 1 146 15 ASP HB2 H 2.74 0.02 2 147 15 ASP HB3 H 3.38 0.02 2 148 15 ASP C C 178.23 0.2 1 149 15 ASP CA C 51.84 0.2 1 150 15 ASP CB C 41.24 0.2 1 151 15 ASP N N 121.04 0.2 1 152 16 GLU H H 8.97 0.02 1 153 16 GLU HA H 4.17 0.02 1 154 16 GLU HB2 H 2.11 0.02 2 155 16 GLU HB3 H 2.19 0.02 2 156 16 GLU HG2 H 2.39 0.02 2 157 16 GLU HG3 H 2.44 0.02 2 158 16 GLU C C 177.03 0.2 1 159 16 GLU CA C 58.84 0.2 1 160 16 GLU CB C 28.94 0.2 1 161 16 GLU CG C 36.24 0.2 1 162 16 GLU N N 117.04 0.2 1 163 17 GLU H H 8.29 0.02 1 164 17 GLU HA H 4.58 0.02 1 165 17 GLU HB2 H 2.17 0.02 2 166 17 GLU HB3 H 2.62 0.02 2 167 17 GLU HG2 H 2.22 0.02 2 168 17 GLU HG3 H 2.32 0.02 2 169 17 GLU C C 175.33 0.2 1 170 17 GLU CA C 55.54 0.2 1 171 17 GLU CB C 30.84 0.2 1 172 17 GLU CG C 37.84 0.2 1 173 17 GLU N N 118.44 0.2 1 174 18 GLY H H 8.23 0.02 1 175 18 GLY HA2 H 3.44 0.02 2 176 18 GLY HA3 H 4.17 0.02 2 177 18 GLY C C 173.93 0.2 1 178 18 GLY CA C 45.64 0.2 1 179 18 GLY N N 108.74 0.2 1 180 19 TYR H H 8.64 0.02 1 181 19 TYR HA H 4.43 0.02 1 182 19 TYR HB2 H 2.89 0.02 2 183 19 TYR HB3 H 3.27 0.02 2 184 19 TYR HD1 H 7.45 0.02 3 185 19 TYR HE1 H 6.56 0.02 3 186 19 TYR C C 176.43 0.2 1 187 19 TYR CA C 57.44 0.2 1 188 19 TYR CB C 37.74 0.2 1 189 19 TYR CD1 C 134.34 0.2 3 190 19 TYR CE1 C 117.34 0.2 3 191 19 TYR N N 122.34 0.2 1 192 20 LEU H H 9.23 0.02 1 193 20 LEU HA H 4.26 0.02 1 194 20 LEU HB2 H 1.43 0.02 2 195 20 LEU HB3 H 1.78 0.02 2 196 20 LEU HG H 1.96 0.02 1 197 20 LEU HD1 H 1.17 0.02 1 198 20 LEU HD2 H 1.05 0.02 1 199 20 LEU C C 177.93 0.2 1 200 20 LEU CA C 55.74 0.2 1 201 20 LEU CB C 42.04 0.2 1 202 20 LEU CG C 26.84 0.2 1 203 20 LEU CD1 C 25.94 0.2 1 204 20 LEU CD2 C 24.64 0.2 1 205 20 LEU N N 122.04 0.2 1 206 21 SER H H 8.25 0.02 1 207 21 SER HA H 4.29 0.02 1 208 21 SER HB2 H 3.57 0.02 2 209 21 SER HB3 H 3.79 0.02 2 210 21 SER C C 174.43 0.2 1 211 21 SER CA C 61.14 0.2 1 212 21 SER CB C 63.14 0.2 1 213 21 SER N N 121.14 0.2 1 214 22 ASN H H 9.32 0.02 1 215 22 ASN HA H 5.01 0.02 1 216 22 ASN HB2 H 2.74 0.02 2 217 22 ASN HB3 H 3.03 0.02 2 218 22 ASN HD21 H 7.06 0.02 2 219 22 ASN HD22 H 7.57 0.02 2 220 22 ASN C C 174.93 0.2 1 221 22 ASN CA C 51.24 0.2 1 222 22 ASN CB C 38.54 0.2 1 223 22 ASN CG C 177.34 0.2 1 224 22 ASN N N 120.94 0.2 1 225 22 ASN ND2 N 113.50 0.2 1 226 23 LEU H H 8.51 0.02 1 227 23 LEU HA H 4.12 0.02 1 228 23 LEU HB2 H 1.65 0.02 2 229 23 LEU HB3 H 1.76 0.02 2 230 23 LEU HG H 1.74 0.02 1 231 23 LEU HD1 H 0.82 0.02 1 232 23 LEU HD2 H 0.80 0.02 1 233 23 LEU C C 179.63 0.2 1 234 23 LEU CA C 58.14 0.2 1 235 23 LEU CB C 41.54 0.2 1 236 23 LEU CG C 26.64 0.2 1 237 23 LEU CD1 C 25.64 0.2 1 238 23 LEU CD2 C 23.94 0.2 1 239 23 LEU N N 125.74 0.2 1 240 24 ASN H H 8.50 0.02 1 241 24 ASN HA H 4.68 0.02 1 242 24 ASN HB2 H 2.85 0.02 2 243 24 ASN HB3 H 2.97 0.02 2 244 24 ASN HD21 H 7.08 0.02 2 245 24 ASN HD22 H 7.74 0.02 2 246 24 ASN C C 175.53 0.2 1 247 24 ASN CA C 54.64 0.2 1 248 24 ASN CB C 37.94 0.2 1 249 24 ASN CG C 176.64 0.2 1 250 24 ASN N N 115.64 0.2 1 251 24 ASN ND2 N 113.90 0.2 1 252 25 ASP H H 7.99 0.02 1 253 25 ASP HA H 4.59 0.02 1 254 25 ASP HB2 H 2.42 0.02 2 255 25 ASP HB3 H 2.90 0.02 2 256 25 ASP C C 175.73 0.2 1 257 25 ASP CA C 54.94 0.2 1 258 25 ASP CB C 41.14 0.2 1 259 25 ASP N N 119.64 0.2 1 260 26 TRP H H 7.12 0.02 1 261 26 TRP HA H 3.56 0.02 1 262 26 TRP HB2 H 3.10 0.02 2 263 26 TRP HB3 H 3.26 0.02 2 264 26 TRP HD1 H 6.72 0.02 1 265 26 TRP HE1 H 10.83 0.02 1 266 26 TRP HE3 H 7.33 0.02 1 267 26 TRP HZ2 H 7.48 0.02 1 268 26 TRP HZ3 H 7.19 0.02 1 269 26 TRP HH2 H 7.64 0.02 1 270 26 TRP C C 175.23 0.2 1 271 26 TRP CA C 63.34 0.2 1 272 26 TRP CB C 29.74 0.2 1 273 26 TRP CD1 C 125.24 0.2 1 274 26 TRP CE3 C 119.74 0.2 1 275 26 TRP CZ2 C 112.54 0.2 1 276 26 TRP CZ3 C 122.04 0.2 1 277 26 TRP CH2 C 124.14 0.2 1 278 26 TRP N N 117.04 0.2 1 279 26 TRP NE1 N 130.00 0.2 1 280 27 VAL H H 6.10 0.02 1 281 27 VAL HA H 4.22 0.02 1 282 27 VAL HB H 2.20 0.02 1 283 27 VAL HG1 H 1.07 0.02 1 284 27 VAL HG2 H 0.70 0.02 1 285 27 VAL CA C 58.14 0.2 1 286 27 VAL CB C 33.04 0.2 1 287 27 VAL CG1 C 22.64 0.2 1 288 27 VAL CG2 C 17.84 0.2 1 289 27 VAL N N 119.34 0.2 1 290 28 PRO HA H 3.82 0.02 1 291 28 PRO HB2 H 1.73 0.02 2 292 28 PRO HB3 H 2.25 0.02 2 293 28 PRO HG2 H 1.99 0.02 2 294 28 PRO HG3 H 2.02 0.02 2 295 28 PRO HD2 H 3.45 0.02 2 296 28 PRO HD3 H 3.53 0.02 2 297 28 PRO C C 177.33 0.2 1 298 28 PRO CA C 65.64 0.2 1 299 28 PRO CB C 31.34 0.2 1 300 28 PRO CD C 49.34 0.2 1 301 29 GLY H H 8.40 0.02 1 302 29 GLY HA2 H 3.62 0.02 2 303 29 GLY HA3 H 4.05 0.02 2 304 29 GLY C C 175.93 0.2 1 305 29 GLY CA C 46.74 0.2 1 306 29 GLY N N 102.04 0.2 1 307 30 VAL H H 8.07 0.02 1 308 30 VAL HA H 3.32 0.02 1 309 30 VAL HB H 1.96 0.02 1 310 30 VAL HG1 H 1.12 0.02 1 311 30 VAL HG2 H 0.72 0.02 1 312 30 VAL C C 176.83 0.2 1 313 30 VAL CA C 65.94 0.2 1 314 30 VAL CB C 31.14 0.2 1 315 30 VAL CG1 C 21.44 0.2 1 316 30 VAL CG2 C 23.94 0.2 1 317 30 VAL N N 121.14 0.2 1 318 31 ALA H H 7.21 0.02 1 319 31 ALA HA H 3.98 0.02 1 320 31 ALA HB H 1.56 0.02 1 321 31 ALA C C 178.33 0.2 1 322 31 ALA CA C 55.54 0.2 1 323 31 ALA CB C 18.54 0.2 1 324 31 ALA N N 121.04 0.2 1 325 32 ASP H H 7.01 0.02 1 326 32 ASP HA H 4.25 0.02 1 327 32 ASP HB2 H 2.67 0.02 2 328 32 ASP HB3 H 2.73 0.02 2 329 32 ASP C C 178.83 0.2 1 330 32 ASP CA C 57.74 0.2 1 331 32 ASP CB C 41.24 0.2 1 332 32 ASP N N 114.84 0.2 1 333 33 VAL H H 7.70 0.02 1 334 33 VAL HA H 3.69 0.02 1 335 33 VAL HB H 2.05 0.02 1 336 33 VAL HG1 H 1.02 0.02 1 337 33 VAL HG2 H 1.23 0.02 1 338 33 VAL C C 178.83 0.2 1 339 33 VAL CA C 66.44 0.2 1 340 33 VAL CB C 31.74 0.2 1 341 33 VAL CG1 C 21.04 0.2 1 342 33 VAL CG2 C 23.34 0.2 1 343 33 VAL N N 120.74 0.2 1 344 34 MET H H 8.34 0.02 1 345 34 MET HA H 3.97 0.02 1 346 34 MET HB2 H 2.31 0.02 2 347 34 MET HB3 H 2.84 0.02 2 348 34 MET HG2 H 1.72 0.02 2 349 34 MET HG3 H 1.96 0.02 2 350 34 MET HE H 2.02 0.02 1 351 34 MET C C 177.63 0.2 1 352 34 MET CA C 59.44 0.2 1 353 34 MET CB C 33.34 0.2 1 354 34 MET CG C 33.54 0.2 1 355 34 MET CE C 17.04 0.2 1 356 34 MET N N 121.44 0.2 1 357 35 ALA H H 8.28 0.02 1 358 35 ALA HA H 3.68 0.02 1 359 35 ALA HB H 0.96 0.02 1 360 35 ALA C C 179.93 0.2 1 361 35 ALA CA C 55.24 0.2 1 362 35 ALA CB C 16.74 0.2 1 363 35 ALA N N 121.94 0.2 1 364 36 LYS H H 7.57 0.02 1 365 36 LYS HA H 4.14 0.02 1 366 36 LYS HB2 H 1.94 0.02 2 367 36 LYS HB3 H 2.04 0.02 2 368 36 LYS HG2 H 1.53 0.02 2 369 36 LYS HG3 H 1.65 0.02 2 370 36 LYS HD2 H 1.76 0.02 2 371 36 LYS HD3 H 2.19 0.02 2 372 36 LYS HE2 H 3.04 0.02 2 373 36 LYS HE3 H 3.06 0.02 2 374 36 LYS C C 181.03 0.2 1 375 36 LYS CA C 59.14 0.2 1 376 36 LYS CB C 31.84 0.2 1 377 36 LYS CG C 24.94 0.2 1 378 36 LYS CD C 28.84 0.2 1 379 36 LYS CE C 42.14 0.2 1 380 36 LYS N N 118.84 0.2 1 381 37 GLN H H 7.66 0.02 1 382 37 GLN HA H 4.12 0.02 1 383 37 GLN HB2 H 2.12 0.02 2 384 37 GLN HB3 H 2.63 0.02 2 385 37 GLN HG2 H 2.51 0.02 2 386 37 GLN HG3 H 2.82 0.02 2 387 37 GLN HE21 H 6.78 0.02 2 388 37 GLN HE22 H 7.70 0.02 2 389 37 GLN C C 177.43 0.2 1 390 37 GLN CA C 58.34 0.2 1 391 37 GLN CB C 27.54 0.2 1 392 37 GLN CG C 32.84 0.2 1 393 37 GLN CD C 179.64 0.2 1 394 37 GLN N N 120.24 0.2 1 395 37 GLN NE2 N 110.50 0.2 1 396 38 ASP H H 7.33 0.02 1 397 38 ASP HA H 4.83 0.02 1 398 38 ASP HB2 H 2.68 0.02 2 399 38 ASP HB3 H 2.91 0.02 2 400 38 ASP C C 174.73 0.2 1 401 38 ASP CA C 53.74 0.2 1 402 38 ASP CB C 40.54 0.2 1 403 38 ASP N N 118.64 0.2 1 404 39 ASN H H 8.00 0.02 1 405 39 ASN HA H 4.34 0.02 1 406 39 ASN HB2 H 2.84 0.02 2 407 39 ASN HB3 H 3.15 0.02 2 408 39 ASN HD21 H 6.88 0.02 2 409 39 ASN HD22 H 7.56 0.02 2 410 39 ASN C C 173.03 0.2 1 411 39 ASN CA C 54.04 0.2 1 412 39 ASN CB C 37.14 0.2 1 413 39 ASN CG C 178.24 0.2 1 414 39 ASN N N 116.64 0.2 1 415 39 ASN ND2 N 112.70 0.2 1 416 40 LEU H H 8.21 0.02 1 417 40 LEU HA H 4.62 0.02 1 418 40 LEU HB2 H 1.31 0.02 2 419 40 LEU HB3 H 1.43 0.02 2 420 40 LEU HG H 1.28 0.02 1 421 40 LEU HD1 H 0.99 0.02 1 422 40 LEU HD2 H 0.86 0.02 1 423 40 LEU C C 174.83 0.2 1 424 40 LEU CA C 53.54 0.2 1 425 40 LEU CB C 45.94 0.2 1 426 40 LEU CG C 26.64 0.2 1 427 40 LEU CD1 C 24.14 0.2 1 428 40 LEU CD2 C 24.94 0.2 1 429 40 LEU N N 121.24 0.2 1 430 41 GLU H H 7.99 0.02 1 431 41 GLU HA H 4.24 0.02 1 432 41 GLU HB2 H 2.06 0.02 2 433 41 GLU HB3 H 2.18 0.02 2 434 41 GLU HG2 H 1.81 0.02 2 435 41 GLU HG3 H 1.87 0.02 2 436 41 GLU C C 174.93 0.2 1 437 41 GLU CA C 54.74 0.2 1 438 41 GLU CB C 30.34 0.2 1 439 41 GLU CG C 35.94 0.2 1 440 41 GLU N N 124.94 0.2 1 441 42 LEU H H 8.41 0.02 1 442 42 LEU HA H 3.56 0.02 1 443 42 LEU HB2 H 0.81 0.02 2 444 42 LEU HB3 H 1.95 0.02 2 445 42 LEU HG H 1.21 0.02 1 446 42 LEU HD1 H 0.26 0.02 1 447 42 LEU HD2 H 0.15 0.02 1 448 42 LEU C C 177.03 0.2 1 449 42 LEU CA C 54.64 0.2 1 450 42 LEU CB C 41.34 0.2 1 451 42 LEU CG C 25.34 0.2 1 452 42 LEU CD1 C 25.14 0.2 1 453 42 LEU CD2 C 21.54 0.2 1 454 42 LEU N N 124.04 0.2 1 455 43 THR H H 9.41 0.02 1 456 43 THR HA H 5.06 0.02 1 457 43 THR HB H 4.87 0.02 1 458 43 THR HG2 H 1.44 0.02 1 459 43 THR CA C 60.24 0.2 1 460 43 THR CB C 72.94 0.2 1 461 43 THR CG2 C 21.44 0.2 1 462 43 THR N N 119.84 0.2 1 463 44 GLU HA H 4.41 0.02 1 464 44 GLU HB2 H 2.23 0.02 2 465 44 GLU HB3 H 2.29 0.02 2 466 44 GLU HG2 H 2.48 0.02 2 467 44 GLU HG3 H 2.55 0.02 2 468 44 GLU C C 178.03 0.2 1 469 44 GLU CA C 60.24 0.2 1 470 44 GLU CB C 29.04 0.2 1 471 44 GLU CG C 36.44 0.2 1 472 45 GLU H H 8.18 0.02 1 473 45 GLU HA H 4.28 0.02 1 474 45 GLU HB2 H 1.76 0.02 2 475 45 GLU HB3 H 2.08 0.02 2 476 45 GLU HG2 H 2.42 0.02 2 477 45 GLU HG3 H 2.49 0.02 2 478 45 GLU C C 179.73 0.2 1 479 45 GLU CA C 59.64 0.2 1 480 45 GLU CB C 29.84 0.2 1 481 45 GLU CG C 38.14 0.2 1 482 45 GLU N N 117.04 0.2 1 483 46 HIS H H 7.58 0.02 1 484 46 HIS HA H 4.06 0.02 1 485 46 HIS HB2 H 2.80 0.02 2 486 46 HIS HB3 H 3.30 0.02 2 487 46 HIS HD2 H 5.63 0.02 1 488 46 HIS CE1 C 139.14 0.02 1 489 46 HIS HE1 H 7.82 0.02 1 490 46 HIS HE2 H 11.55 0.02 1 491 46 HIS C C 179.23 0.2 1 492 46 HIS CA C 62.34 0.2 1 493 46 HIS CB C 31.74 0.2 1 494 46 HIS CD2 C 117.94 0.2 1 495 46 HIS N N 117.64 0.2 1 496 46 HIS NE2 N 170.00 0.2 1 497 47 TRP H H 8.37 0.02 1 498 47 TRP HA H 4.51 0.02 1 499 47 TRP HB2 H 3.41 0.02 2 500 47 TRP HB3 H 3.52 0.02 2 501 47 TRP HD1 H 7.12 0.02 1 502 47 TRP HE1 H 10.36 0.02 1 503 47 TRP HE3 H 7.81 0.02 1 504 47 TRP HZ2 H 7.55 0.02 1 505 47 TRP HZ3 H 7.47 0.02 1 506 47 TRP HH2 H 7.75 0.02 1 507 47 TRP C C 177.83 0.2 1 508 47 TRP CA C 61.34 0.2 1 509 47 TRP CB C 28.74 0.2 1 510 47 TRP CD1 C 126.64 0.2 1 511 47 TRP CE3 C 119.94 0.2 1 512 47 TRP CZ2 C 115.14 0.2 1 513 47 TRP CZ3 C 121.04 0.2 1 514 47 TRP CH2 C 124.84 0.2 1 515 47 TRP N N 120.84 0.2 1 516 47 TRP NE1 N 129.50 0.2 1 517 48 ASP H H 8.54 0.02 1 518 48 ASP HA H 4.80 0.02 1 519 48 ASP HB2 H 2.65 0.02 2 520 48 ASP HB3 H 2.94 0.02 2 521 48 ASP C C 179.43 0.2 1 522 48 ASP CA C 57.54 0.2 1 523 48 ASP CB C 40.04 0.2 1 524 48 ASP N N 120.14 0.2 1 525 49 ILE H H 7.33 0.02 1 526 49 ILE HA H 4.03 0.02 1 527 49 ILE HB H 2.57 0.02 1 528 49 ILE HG12 H 1.51 0.02 2 529 49 ILE HG13 H 2.03 0.02 2 530 49 ILE HG2 H 0.84 0.02 1 531 49 ILE HD1 H 0.80 0.02 1 532 49 ILE C C 177.03 0.2 1 533 49 ILE CA C 62.44 0.2 1 534 49 ILE CB C 35.34 0.2 1 535 49 ILE CG1 C 27.84 0.2 1 536 49 ILE CG2 C 16.84 0.2 1 537 49 ILE CD1 C 9.64 0.2 1 538 49 ILE N N 118.64 0.2 1 539 50 ILE H H 8.56 0.02 1 540 50 ILE HA H 3.51 0.02 1 541 50 ILE HB H 1.99 0.02 1 542 50 ILE HG12 H 0.99 0.02 2 543 50 ILE HG13 H 1.89 0.02 2 544 50 ILE HG2 H 0.99 0.02 1 545 50 ILE HD1 H 0.30 0.02 1 546 50 ILE C C 176.83 0.2 1 547 50 ILE CA C 66.44 0.2 1 548 50 ILE CB C 38.44 0.2 1 549 50 ILE CG1 C 29.44 0.2 1 550 50 ILE CG2 C 16.74 0.2 1 551 50 ILE CD1 C 13.74 0.2 1 552 50 ILE N N 123.04 0.2 1 553 51 ASN H H 9.40 0.02 1 554 51 ASN HA H 4.66 0.02 1 555 51 ASN HB2 H 3.03 0.02 2 556 51 ASN HB3 H 3.13 0.02 2 557 51 ASN HD21 H 7.12 0.02 2 558 51 ASN HD22 H 7.82 0.02 2 559 51 ASN C C 178.53 0.2 1 560 51 ASN CA C 56.24 0.2 1 561 51 ASN CB C 37.74 0.2 1 562 51 ASN CG C 175.54 0.2 1 563 51 ASN N N 116.94 0.2 1 564 51 ASN ND2 N 112.30 0.2 1 565 52 PHE H H 7.81 0.02 1 566 52 PHE HA H 4.48 0.02 1 567 52 PHE HB2 H 3.43 0.02 2 568 52 PHE HB3 H 3.52 0.02 2 569 52 PHE HD1 H 7.24 0.02 3 570 52 PHE HE1 H 7.12 0.02 3 571 52 PHE HZ H 7.36 0.02 1 572 52 PHE C C 176.83 0.2 1 573 52 PHE CA C 60.94 0.2 1 574 52 PHE CB C 38.64 0.2 1 575 52 PHE CD1 C 131.34 0.2 3 576 52 PHE CE1 C 129.74 0.2 3 577 52 PHE CZ C 128.04 0.2 1 578 52 PHE N N 122.24 0.2 1 579 53 LEU H H 8.60 0.02 1 580 53 LEU HA H 3.74 0.02 1 581 53 LEU HB2 H 1.26 0.02 2 582 53 LEU HB3 H 2.00 0.02 2 583 53 LEU HG H 1.75 0.02 1 584 53 LEU HD1 H 0.67 0.02 1 585 53 LEU HD2 H 0.73 0.02 1 586 53 LEU C C 178.53 0.2 1 587 53 LEU CA C 57.44 0.2 1 588 53 LEU CB C 41.34 0.2 1 589 53 LEU CG C 27.74 0.2 1 590 53 LEU CD1 C 27.14 0.2 1 591 53 LEU CD2 C 23.84 0.2 1 592 53 LEU N N 121.84 0.2 1 593 54 ARG H H 7.84 0.02 1 594 54 ARG HA H 3.87 0.02 1 595 54 ARG HB2 H 1.84 0.02 2 596 54 ARG HB3 H 1.91 0.02 2 597 54 ARG HG2 H 1.38 0.02 2 598 54 ARG HG3 H 1.66 0.02 2 599 54 ARG HD2 H 1.84 0.02 2 600 54 ARG HD3 H 2.18 0.02 2 601 54 ARG C C 179.13 0.2 1 602 54 ARG CA C 60.34 0.2 1 603 54 ARG CB C 28.24 0.2 1 604 54 ARG CG C 27.34 0.2 1 605 54 ARG CD C 40.64 0.2 1 606 54 ARG N N 118.24 0.2 1 607 55 GLU H H 7.63 0.02 1 608 55 GLU HA H 4.08 0.02 1 609 55 GLU HB2 H 2.09 0.02 2 610 55 GLU HB3 H 2.23 0.02 2 611 55 GLU HG2 H 2.27 0.02 2 612 55 GLU HG3 H 2.50 0.02 2 613 55 GLU C C 178.83 0.2 1 614 55 GLU CA C 59.14 0.2 1 615 55 GLU CB C 29.24 0.2 1 616 55 GLU CG C 36.14 0.2 1 617 55 GLU N N 121.34 0.2 1 618 56 TYR H H 8.95 0.02 1 619 56 TYR HA H 4.01 0.02 1 620 56 TYR HB2 H 2.36 0.02 2 621 56 TYR HB3 H 3.03 0.02 2 622 56 TYR HD1 H 7.10 0.02 3 623 56 TYR HE1 H 6.55 0.02 3 624 56 TYR C C 177.73 0.2 1 625 56 TYR CA C 61.74 0.2 1 626 56 TYR CB C 38.74 0.2 1 627 56 TYR CD1 C 132.74 0.2 3 628 56 TYR CE1 C 117.54 0.2 3 629 56 TYR N N 124.64 0.2 1 630 57 TYR H H 9.03 0.02 1 631 57 TYR HA H 3.93 0.02 1 632 57 TYR HB2 H 2.96 0.02 2 633 57 TYR HB3 H 3.11 0.02 2 634 57 TYR HD1 H 6.83 0.02 3 635 57 TYR HE1 H 6.59 0.02 3 636 57 TYR C C 178.33 0.2 1 637 57 TYR CA C 62.14 0.2 1 638 57 TYR CB C 39.04 0.2 1 639 57 TYR CD1 C 133.04 0.2 3 640 57 TYR CE1 C 117.24 0.2 3 641 57 TYR N N 120.74 0.2 1 642 58 GLU H H 7.92 0.02 1 643 58 GLU HA H 3.91 0.02 1 644 58 GLU HB2 H 2.08 0.02 2 645 58 GLU HB3 H 2.21 0.02 2 646 58 GLU HG2 H 2.30 0.02 2 647 58 GLU HG3 H 2.40 0.02 2 648 58 GLU C C 177.13 0.2 1 649 58 GLU CA C 59.34 0.2 1 650 58 GLU CB C 28.94 0.2 1 651 58 GLU CG C 35.74 0.2 1 652 58 GLU N N 119.54 0.2 1 653 59 GLU H H 7.27 0.02 1 654 59 GLU HA H 3.89 0.02 1 655 59 GLU HB2 H 1.34 0.02 2 656 59 GLU HB3 H 1.67 0.02 2 657 59 GLU HG2 H 1.16 0.02 2 658 59 GLU HG3 H 1.54 0.02 2 659 59 GLU C C 177.53 0.2 1 660 59 GLU CA C 58.24 0.2 1 661 59 GLU CB C 29.84 0.2 1 662 59 GLU CG C 34.54 0.2 1 663 59 GLU N N 117.44 0.2 1 664 60 TYR H H 8.39 0.02 1 665 60 TYR HA H 4.27 0.02 1 666 60 TYR HB2 H 2.18 0.02 2 667 60 TYR HB3 H 2.87 0.02 2 668 60 TYR HD1 H 6.43 0.02 3 669 60 TYR HE1 H 6.55 0.02 3 670 60 TYR C C 175.83 0.2 1 671 60 TYR CA C 59.34 0.2 1 672 60 TYR CB C 39.54 0.2 1 673 60 TYR CD1 C 132.64 0.2 3 674 60 TYR CE1 C 117.44 0.2 3 675 60 TYR N N 115.24 0.2 1 676 61 GLN H H 8.80 0.02 1 677 61 GLN HA H 2.47 0.02 1 678 61 GLN HB2 H 2.02 0.02 2 679 61 GLN HB3 H 2.06 0.02 2 680 61 GLN HG2 H 1.97 0.02 2 681 61 GLN HG3 H 2.03 0.02 2 682 61 GLN HE21 H 6.69 0.02 2 683 61 GLN HE22 H 7.13 0.02 2 684 61 GLN C C 173.13 0.2 1 685 61 GLN CA C 56.04 0.2 1 686 61 GLN CB C 25.64 0.2 1 687 61 GLN CG C 34.04 0.2 1 688 61 GLN CD C 180.54 0.2 1 689 61 GLN N N 115.34 0.2 1 690 61 GLN NE2 N 113.90 0.2 1 691 62 ILE H H 6.56 0.02 1 692 62 ILE HA H 4.35 0.02 1 693 62 ILE HB H 1.66 0.02 1 694 62 ILE HG12 H 1.09 0.02 2 695 62 ILE HG13 H 1.51 0.02 2 696 62 ILE HG2 H 0.86 0.02 1 697 62 ILE HD1 H 0.90 0.02 1 698 62 ILE C C 173.43 0.2 1 699 62 ILE CA C 58.94 0.2 1 700 62 ILE CB C 42.84 0.2 1 701 62 ILE CG1 C 26.84 0.2 1 702 62 ILE CG2 C 17.24 0.2 1 703 62 ILE CD1 C 13.34 0.2 1 704 62 ILE N N 114.64 0.2 1 705 63 ALA H H 8.60 0.02 1 706 63 ALA HA H 4.87 0.02 1 707 63 ALA HB H 1.31 0.02 1 708 63 ALA CA C 48.14 0.2 1 709 63 ALA CB C 18.94 0.2 1 710 63 ALA N N 129.04 0.2 1 711 64 PRO HA H 4.29 0.02 1 712 64 PRO HB2 H 1.51 0.02 2 713 64 PRO HB3 H 1.58 0.02 2 714 64 PRO HG2 H 0.96 0.02 2 715 64 PRO HG3 H 1.72 0.02 2 716 64 PRO HD2 H 3.49 0.02 2 717 64 PRO HD3 H 3.94 0.02 2 718 64 PRO C C 173.93 0.2 1 719 64 PRO CA C 62.14 0.2 1 720 64 PRO CB C 30.64 0.2 1 721 64 PRO CG C 26.24 0.2 1 722 64 PRO CD C 49.44 0.2 1 723 65 ALA H H 7.68 0.02 1 724 65 ALA HA H 4.23 0.02 1 725 65 ALA HB H 1.49 0.02 1 726 65 ALA C C 179.03 0.2 1 727 65 ALA CA C 50.64 0.2 1 728 65 ALA CB C 19.24 0.2 1 729 65 ALA N N 119.34 0.2 1 730 66 VAL H H 8.66 0.02 1 731 66 VAL HA H 3.65 0.02 1 732 66 VAL HB H 2.50 0.02 1 733 66 VAL HG1 H 1.12 0.02 1 734 66 VAL HG2 H 1.06 0.02 1 735 66 VAL C C 176.83 0.2 1 736 66 VAL CA C 67.44 0.2 1 737 66 VAL CB C 31.04 0.2 1 738 66 VAL CG1 C 19.44 0.2 1 739 66 VAL CG2 C 22.84 0.2 1 740 66 VAL N N 120.54 0.2 1 741 67 ARG H H 8.83 0.02 1 742 67 ARG HA H 4.22 0.02 1 743 67 ARG HB2 H 1.87 0.02 2 744 67 ARG HB3 H 1.96 0.02 2 745 67 ARG HG2 H 1.68 0.02 2 746 67 ARG HG3 H 1.77 0.02 2 747 67 ARG HD2 H 3.26 0.02 2 748 67 ARG HD3 H 3.28 0.02 2 749 67 ARG C C 178.33 0.2 1 750 67 ARG CA C 59.64 0.2 1 751 67 ARG CB C 29.54 0.2 1 752 67 ARG CG C 27.44 0.2 1 753 67 ARG CD C 42.94 0.2 1 754 67 ARG N N 123.04 0.2 1 755 68 VAL H H 7.09 0.02 1 756 68 VAL HA H 3.67 0.02 1 757 68 VAL HB H 2.04 0.02 1 758 68 VAL HG1 H 0.89 0.02 1 759 68 VAL HG2 H 1.04 0.02 1 760 68 VAL C C 178.03 0.2 1 761 68 VAL CA C 65.24 0.2 1 762 68 VAL CB C 31.94 0.2 1 763 68 VAL CG1 C 21.04 0.2 1 764 68 VAL CG2 C 22.24 0.2 1 765 68 VAL N N 120.54 0.2 1 766 69 LEU H H 8.63 0.02 1 767 69 LEU HA H 3.67 0.02 1 768 69 LEU HB2 H 1.25 0.02 2 769 69 LEU HB3 H 1.80 0.02 2 770 69 LEU HG H 1.37 0.02 1 771 69 LEU HD1 H 0.76 0.02 1 772 69 LEU HD2 H 0.64 0.02 1 773 69 LEU C C 177.33 0.2 1 774 69 LEU CA C 58.24 0.2 1 775 69 LEU CB C 42.04 0.2 1 776 69 LEU CG C 26.94 0.2 1 777 69 LEU CD1 C 24.34 0.2 1 778 69 LEU CD2 C 25.34 0.2 1 779 69 LEU N N 121.54 0.2 1 780 70 THR H H 8.48 0.02 1 781 70 THR HA H 3.50 0.02 1 782 70 THR HB H 4.13 0.02 1 783 70 THR HG2 H 1.12 0.02 1 784 70 THR C C 175.83 0.2 1 785 70 THR CA C 66.84 0.2 1 786 70 THR CB C 67.74 0.2 1 787 70 THR CG2 C 20.74 0.2 1 788 70 THR N N 113.24 0.2 1 789 71 LYS H H 7.10 0.02 1 790 71 LYS HA H 4.11 0.02 1 791 71 LYS HB2 H 1.88 0.02 2 792 71 LYS HB3 H 2.00 0.02 2 793 71 LYS HG2 H 1.51 0.02 2 794 71 LYS HG3 H 1.62 0.02 2 795 71 LYS HD2 H 1.75 0.02 2 796 71 LYS HD3 H 1.77 0.02 2 797 71 LYS HE2 H 3.05 0.02 2 798 71 LYS HE3 H 3.07 0.02 2 799 71 LYS C C 178.83 0.2 1 800 71 LYS CA C 58.64 0.2 1 801 71 LYS CB C 32.24 0.2 1 802 71 LYS CG C 24.74 0.2 1 803 71 LYS CD C 28.94 0.2 1 804 71 LYS N N 120.64 0.2 1 805 72 ALA H H 8.21 0.02 1 806 72 ALA HA H 4.25 0.02 1 807 72 ALA HB H 1.59 0.02 1 808 72 ALA C C 180.43 0.2 1 809 72 ALA CA C 55.04 0.2 1 810 72 ALA CB C 18.04 0.2 1 811 72 ALA N N 123.24 0.2 1 812 73 VAL H H 8.75 0.02 1 813 73 VAL HA H 2.98 0.02 1 814 73 VAL HB H 1.98 0.02 1 815 73 VAL HG1 H 0.66 0.02 1 816 73 VAL HG2 H 0.67 0.02 1 817 73 VAL C C 177.83 0.2 1 818 73 VAL CA C 65.84 0.2 1 819 73 VAL CB C 31.04 0.2 1 820 73 VAL CG1 C 21.44 0.2 1 821 73 VAL CG2 C 23.74 0.2 1 822 73 VAL N N 119.74 0.2 1 823 74 GLY H H 7.98 0.02 1 824 74 GLY HA2 H 3.82 0.02 2 825 74 GLY HA3 H 3.83 0.02 2 826 74 GLY C C 175.73 0.2 1 827 74 GLY CA C 45.94 0.2 1 828 74 GLY N N 107.44 0.2 1 829 75 LYS H H 7.57 0.02 1 830 75 LYS HA H 4.12 0.02 1 831 75 LYS HB2 H 1.96 0.02 2 832 75 LYS HB3 H 2.02 0.02 2 833 75 LYS HG2 H 1.55 0.02 2 834 75 LYS HG3 H 1.65 0.02 2 835 75 LYS HD2 H 1.77 0.02 2 836 75 LYS HD3 H 1.82 0.02 2 837 75 LYS HE2 H 3.04 0.02 2 838 75 LYS HE3 H 3.06 0.02 2 839 75 LYS C C 177.33 0.2 1 840 75 LYS CA C 58.34 0.2 1 841 75 LYS CB C 32.54 0.2 1 842 75 LYS CG C 24.64 0.2 1 843 75 LYS CD C 28.74 0.2 1 844 75 LYS CE C 42.14 0.2 1 845 75 LYS N N 120.14 0.2 1 846 76 LYS H H 7.51 0.02 1 847 76 LYS HA H 4.43 0.02 1 848 76 LYS HB2 H 1.91 0.02 2 849 76 LYS HB3 H 1.76 0.02 2 850 76 LYS HG2 H 1.55 0.02 2 851 76 LYS HG3 H 1.57 0.02 2 852 76 LYS HD2 H 1.81 0.02 2 853 76 LYS HD3 H 1.89 0.02 2 854 76 LYS C C 177.13 0.2 1 855 76 LYS CA C 57.44 0.2 1 856 76 LYS CB C 34.14 0.2 1 857 76 LYS CG C 24.74 0.2 1 858 76 LYS CD C 28.64 0.2 1 859 76 LYS N N 117.44 0.2 1 860 77 LEU H H 8.86 0.02 1 861 77 LEU HA H 4.55 0.02 1 862 77 LEU HB2 H 1.57 0.02 2 863 77 LEU HB3 H 1.65 0.02 2 864 77 LEU HG H 1.47 0.02 1 865 77 LEU HD1 H 0.83 0.02 1 866 77 LEU HD2 H 0.94 0.02 1 867 77 LEU C C 177.13 0.2 1 868 77 LEU CA C 54.64 0.2 1 869 77 LEU CB C 42.54 0.2 1 870 77 LEU CG C 27.24 0.2 1 871 77 LEU CD1 C 25.34 0.2 1 872 77 LEU CD2 C 22.54 0.2 1 873 77 LEU N N 116.54 0.2 1 874 78 GLY H H 7.22 0.02 1 875 78 GLY HA2 H 3.84 0.02 2 876 78 GLY HA3 H 4.58 0.02 2 877 78 GLY CA C 44.64 0.2 1 878 78 GLY N N 109.54 0.2 1 879 79 LYS HA H 3.92 0.02 1 880 79 LYS HB2 H 1.73 0.02 2 881 79 LYS HB3 H 1.88 0.02 2 882 79 LYS HG2 H 1.48 0.02 2 883 79 LYS HG3 H 1.50 0.02 2 884 79 LYS C C 178.03 0.2 1 885 79 LYS CA C 59.24 0.2 1 886 79 LYS CB C 32.04 0.2 1 887 79 LYS CG C 24.54 0.2 1 888 79 LYS CD C 28.94 0.2 1 889 79 LYS CE C 41.94 0.2 1 890 80 GLU H H 9.18 0.02 1 891 80 GLU HA H 4.03 0.02 1 892 80 GLU HB2 H 1.84 0.02 2 893 80 GLU HB3 H 1.97 0.02 2 894 80 GLU HG2 H 2.20 0.02 2 895 80 GLU HG3 H 2.28 0.02 2 896 80 GLU C C 173.03 0.2 1 897 80 GLU CA C 58.64 0.2 1 898 80 GLU CB C 27.84 0.2 1 899 80 GLU CG C 36.14 0.2 1 900 80 GLU N N 119.44 0.2 1 901 81 LYS H H 7.30 0.02 1 902 81 LYS HA H 3.84 0.02 1 903 81 LYS HB2 H 1.29 0.02 2 904 81 LYS HB3 H 1.40 0.02 2 905 81 LYS HG2 H 0.44 0.02 2 906 81 LYS HG3 H 1.02 0.02 2 907 81 LYS HD2 H 1.28 0.02 2 908 81 LYS HD3 H 1.30 0.02 2 909 81 LYS HE2 H 2.85 0.02 2 910 81 LYS HE3 H 2.87 0.02 2 911 81 LYS C C 176.83 0.2 1 912 81 LYS CA C 55.74 0.2 1 913 81 LYS CB C 33.14 0.2 1 914 81 LYS CG C 25.84 0.2 1 915 81 LYS CD C 29.34 0.2 1 916 81 LYS CE C 42.24 0.2 1 917 81 LYS N N 117.84 0.2 1 918 82 GLY H H 7.61 0.02 1 919 82 GLY HA2 H 3.15 0.02 2 920 82 GLY HA3 H 4.31 0.02 2 921 82 GLY C C 173.33 0.2 1 922 82 GLY CA C 46.34 0.2 1 923 82 GLY N N 105.04 0.2 1 924 83 ASN H H 7.89 0.02 1 925 83 ASN HA H 4.81 0.02 1 926 83 ASN HB2 H 2.87 0.02 2 927 83 ASN HB3 H 2.91 0.02 2 928 83 ASN HD21 H 6.55 0.02 2 929 83 ASN HD22 H 7.56 0.02 2 930 83 ASN CA C 52.54 0.2 1 931 83 ASN CB C 41.14 0.2 1 932 83 ASN CG C 175.64 0.2 1 933 83 ASN N N 117.54 0.2 1 934 83 ASN ND2 N 115.80 0.2 1 935 84 SER C C 175.23 0.2 1 936 84 SER CA C 62.44 0.2 1 937 85 LYS H H 8.37 0.02 1 938 85 LYS HA H 4.13 0.02 1 939 85 LYS HB2 H 1.91 0.02 2 940 85 LYS HB3 H 2.02 0.02 2 941 85 LYS HG2 H 1.48 0.02 2 942 85 LYS HG3 H 1.60 0.02 2 943 85 LYS HD2 H 1.75 0.02 2 944 85 LYS HD3 H 1.77 0.02 2 945 85 LYS HE2 H 3.04 0.02 2 946 85 LYS HE3 H 3.06 0.02 2 947 85 LYS C C 179.33 0.2 1 948 85 LYS CA C 59.84 0.2 1 949 85 LYS CB C 31.64 0.2 1 950 85 LYS CG C 28.94 0.2 1 951 85 LYS CD C 24.94 0.2 1 952 85 LYS CE C 42.04 0.2 1 953 85 LYS N N 123.14 0.2 1 954 86 TYR H H 8.33 0.02 1 955 86 TYR HA H 4.26 0.02 1 956 86 TYR HB2 H 3.04 0.02 2 957 86 TYR HB3 H 3.30 0.02 2 958 86 TYR HD1 H 7.28 0.02 3 959 86 TYR HE1 H 6.71 0.02 3 960 86 TYR C C 178.83 0.2 1 961 86 TYR CA C 61.14 0.2 1 962 86 TYR CB C 38.34 0.2 1 963 86 TYR CD1 C 133.24 0.2 3 964 86 TYR CE1 C 117.44 0.2 3 965 86 TYR N N 120.94 0.2 1 966 87 LEU H H 8.16 0.02 1 967 87 LEU HA H 3.95 0.02 1 968 87 LEU HB2 H 1.97 0.02 2 969 87 LEU HB3 H 1.28 0.02 2 970 87 LEU HG H 2.34 0.02 1 971 87 LEU HD1 H 0.90 0.02 1 972 87 LEU HD2 H 1.03 0.02 1 973 87 LEU C C 179.33 0.2 1 974 87 LEU CA C 58.54 0.2 1 975 87 LEU CB C 41.54 0.2 1 976 87 LEU CG C 26.84 0.2 1 977 87 LEU CD1 C 26.54 0.2 1 978 87 LEU CD2 C 22.94 0.2 1 979 87 LEU N N 119.64 0.2 1 980 88 TYR H H 8.95 0.02 1 981 88 TYR HA H 4.26 0.02 1 982 88 TYR HB2 H 2.99 0.02 2 983 88 TYR HB3 H 3.12 0.02 2 984 88 TYR HD1 H 7.49 0.02 3 985 88 TYR HE1 H 6.88 0.02 3 986 88 TYR C C 177.63 0.2 1 987 88 TYR CA C 61.34 0.2 1 988 88 TYR CB C 37.64 0.2 1 989 88 TYR CD1 C 133.54 0.2 3 990 88 TYR CE1 C 117.84 0.2 3 991 88 TYR N N 118.74 0.2 1 992 89 SER H H 7.56 0.02 1 993 89 SER HA H 4.25 0.02 1 994 89 SER HB2 H 3.95 0.02 2 995 89 SER HB3 H 4.01 0.02 2 996 89 SER C C 175.23 0.2 1 997 89 SER CA C 60.74 0.2 1 998 89 SER CB C 62.14 0.2 1 999 89 SER N N 116.24 0.2 1 1000 90 LEU H H 6.72 0.02 1 1001 90 LEU HA H 3.87 0.02 1 1002 90 LEU HB2 H 0.08 0.02 2 1003 90 LEU HB3 H 1.47 0.02 2 1004 90 LEU HG H 0.83 0.02 1 1005 90 LEU HD1 H 0.31 0.02 1 1006 90 LEU HD2 H -0.12 0.02 1 1007 90 LEU C C 175.73 0.2 1 1008 90 LEU CA C 55.94 0.2 1 1009 90 LEU CB C 43.84 0.2 1 1010 90 LEU CG C 25.44 0.2 1 1011 90 LEU CD1 C 26.24 0.2 1 1012 90 LEU CD2 C 20.94 0.2 1 1013 90 LEU N N 121.04 0.2 1 1014 91 PHE H H 7.63 0.02 1 1015 91 PHE HA H 4.89 0.02 1 1016 91 PHE HB2 H 2.57 0.02 2 1017 91 PHE HB3 H 3.00 0.02 2 1018 91 PHE HD1 H 7.07 0.02 3 1019 91 PHE CA C 54.64 0.2 1 1020 91 PHE CB C 39.94 0.2 1 1021 91 PHE CD1 C 132.84 0.2 3 1022 91 PHE N N 115.34 0.2 1 1023 92 PRO HA H 4.81 0.02 1 1024 92 PRO HB2 H 1.76 0.02 2 1025 92 PRO HB3 H 2.44 0.02 2 1026 92 PRO HG2 H 1.82 0.02 2 1027 92 PRO HG3 H 1.92 0.02 2 1028 92 PRO HD2 H 3.54 0.02 2 1029 92 PRO HD3 H 3.69 0.02 2 1030 92 PRO C C 178.83 0.2 1 1031 92 PRO CA C 64.14 0.2 1 1032 92 PRO CB C 32.44 0.2 1 1033 92 PRO CG C 26.64 0.2 1 1034 92 PRO CD C 50.34 0.2 1 1035 93 TYR H H 8.08 0.02 1 1036 93 TYR HA H 5.03 0.02 1 1037 93 TYR HB2 H 2.57 0.02 2 1038 93 TYR HB3 H 3.43 0.02 2 1039 93 TYR HD1 H 7.09 0.02 3 1040 93 TYR HE1 H 6.96 0.02 3 1041 93 TYR C C 175.63 0.2 1 1042 93 TYR CA C 54.94 0.2 1 1043 93 TYR CB C 36.04 0.2 1 1044 93 TYR CD1 C 131.34 0.2 3 1045 93 TYR CE1 C 118.14 0.2 3 1046 93 TYR N N 115.24 0.2 1 1047 94 GLY H H 7.94 0.02 1 1048 94 GLY HA2 H 3.61 0.02 2 1049 94 GLY HA3 H 4.57 0.02 2 1050 94 GLY CA C 44.24 0.2 1 1051 94 GLY N N 110.74 0.2 1 1052 95 PRO HA H 3.93 0.02 1 1053 95 PRO HB2 H 1.58 0.02 2 1054 95 PRO HB3 H 1.97 0.02 2 1055 95 PRO HG2 H 1.52 0.02 2 1056 95 PRO HG3 H 1.56 0.02 2 1057 95 PRO HD2 H 2.70 0.02 2 1058 95 PRO HD3 H 3.28 0.02 2 1059 95 PRO C C 175.93 0.2 1 1060 95 PRO CA C 64.94 0.2 1 1061 95 PRO CB C 32.54 0.2 1 1062 95 PRO CG C 27.34 0.2 1 1063 95 PRO CD C 49.74 0.2 1 1064 96 ALA H H 7.87 0.02 1 1065 96 ALA HA H 4.05 0.02 1 1066 96 ALA HB H 1.47 0.02 1 1067 96 ALA C C 178.73 0.2 1 1068 96 ALA CA C 54.24 0.2 1 1069 96 ALA CB C 18.54 0.2 1 1070 96 ALA N N 117.54 0.2 1 1071 97 LYS H H 8.36 0.02 1 1072 97 LYS HA H 3.70 0.02 1 1073 97 LYS HB2 H 1.83 0.02 2 1074 97 LYS HB3 H 1.86 0.02 2 1075 97 LYS HG2 H 1.43 0.02 2 1076 97 LYS HG3 H 1.78 0.02 2 1077 97 LYS HD2 H 1.85 0.02 2 1078 97 LYS HD3 H 1.87 0.02 2 1079 97 LYS HE2 H 3.11 0.02 2 1080 97 LYS HE3 H 3.13 0.02 2 1081 97 LYS C C 178.53 0.2 1 1082 97 LYS CA C 60.44 0.2 1 1083 97 LYS CB C 32.64 0.2 1 1084 97 LYS CG C 29.24 0.2 1 1085 97 LYS CD C 25.74 0.2 1 1086 97 LYS CE C 41.74 0.2 1 1087 97 LYS N N 119.64 0.2 1 1088 98 GLN H H 8.68 0.02 1 1089 98 GLN HA H 3.84 0.02 1 1090 98 GLN HB2 H 1.72 0.02 2 1091 98 GLN HB3 H 1.60 0.02 2 1092 98 GLN HG2 H 1.56 0.02 2 1093 98 GLN HG3 H 2.10 0.02 2 1094 98 GLN HE21 H 6.34 0.02 2 1095 98 GLN HE22 H 8.61 0.02 2 1096 98 GLN C C 175.63 0.2 1 1097 98 GLN CA C 58.24 0.2 1 1098 98 GLN CB C 30.44 0.2 1 1099 98 GLN CG C 34.74 0.2 1 1100 98 GLN CD C 178.24 0.2 1 1101 98 GLN N N 119.24 0.2 1 1102 98 GLN NE2 N 113.50 0.2 1 1103 99 ALA H H 6.79 0.02 1 1104 99 ALA HA H 3.13 0.02 1 1105 99 ALA HB H 0.28 0.02 1 1106 99 ALA C C 179.33 0.2 1 1107 99 ALA CA C 55.84 0.2 1 1108 99 ALA CB C 16.94 0.2 1 1109 99 ALA N N 118.54 0.2 1 1110 100 CYS H H 7.63 0.02 1 1111 100 CYS HA H 3.81 0.02 1 1112 100 CYS HB2 H 2.79 0.02 2 1113 100 CYS HB3 H 3.12 0.02 2 1114 100 CYS C C 175.23 0.2 1 1115 100 CYS CA C 64.94 0.2 1 1116 100 CYS CB C 26.44 0.2 1 1117 100 CYS N N 111.14 0.2 1 1118 101 ARG H H 6.65 0.02 1 1119 101 ARG HA H 3.76 0.02 1 1120 101 ARG HB2 H 1.20 0.02 2 1121 101 ARG HB3 H 1.94 0.02 2 1122 101 ARG HG2 H -0.05 0.02 2 1123 101 ARG HG3 H 1.69 0.02 2 1124 101 ARG HD2 H 2.20 0.02 2 1125 101 ARG HD3 H 2.84 0.02 2 1126 101 ARG HE H 8.21 0.02 1 1127 101 ARG C C 180.13 0.2 1 1128 101 ARG CA C 59.74 0.2 1 1129 101 ARG CB C 31.44 0.2 1 1130 101 ARG CG C 28.14 0.2 1 1131 101 ARG CD C 43.94 0.2 1 1132 101 ARG N N 120.14 0.2 1 1133 101 ARG NE N 84.20 0.2 1 1134 102 PHE H H 7.90 0.02 1 1135 102 PHE HA H 5.08 0.02 1 1136 102 PHE HB2 H 3.14 0.02 2 1137 102 PHE HB3 H 3.19 0.02 2 1138 102 PHE HD1 H 7.06 0.02 3 1139 102 PHE HE1 H 7.22 0.02 3 1140 102 PHE HZ H 7.42 0.02 1 1141 102 PHE C C 176.33 0.2 1 1142 102 PHE CA C 56.54 0.2 1 1143 102 PHE CB C 37.54 0.2 1 1144 102 PHE CD1 C 129.44 0.2 3 1145 102 PHE CE1 C 130.64 0.2 3 1146 102 PHE CZ C 128.74 0.2 1 1147 102 PHE N N 117.44 0.2 1 1148 103 ALA H H 7.87 0.02 1 1149 103 ALA HA H 3.90 0.02 1 1150 103 ALA HB H 1.29 0.02 1 1151 103 ALA C C 174.03 0.2 1 1152 103 ALA CA C 51.34 0.2 1 1153 103 ALA CB C 20.44 0.2 1 1154 103 ALA N N 117.14 0.2 1 1155 104 GLY H H 7.91 0.02 1 1156 104 GLY HA2 H 3.74 0.02 2 1157 104 GLY HA3 H 3.86 0.02 2 1158 104 GLY C C 172.63 0.2 1 1159 104 GLY CA C 47.24 0.2 1 1160 104 GLY N N 104.34 0.2 1 1161 105 LEU H H 7.75 0.02 1 1162 105 LEU HA H 4.09 0.02 1 1163 105 LEU HB2 H 1.41 0.02 2 1164 105 LEU HB3 H 1.46 0.02 2 1165 105 LEU HG H 1.23 0.02 1 1166 105 LEU HD1 H 0.66 0.02 1 1167 105 LEU HD2 H 0.51 0.02 1 1168 105 LEU CA C 52.44 0.2 1 1169 105 LEU CB C 41.24 0.2 1 1170 105 LEU CG C 28.24 0.2 1 1171 105 LEU CD1 C 24.64 0.2 1 1172 105 LEU CD2 C 23.54 0.2 1 1173 105 LEU N N 120.74 0.2 1 1174 106 PRO HA H 4.40 0.02 1 1175 106 PRO HB2 H 1.71 0.02 2 1176 106 PRO HB3 H 2.21 0.02 2 1177 106 PRO HG2 H 1.92 0.02 2 1178 106 PRO HG3 H 1.96 0.02 2 1179 106 PRO HD2 H 2.97 0.02 2 1180 106 PRO HD3 H 3.11 0.02 2 1181 106 PRO C C 175.73 0.2 1 1182 106 PRO CA C 61.04 0.2 1 1183 106 PRO CB C 31.74 0.2 1 1184 106 PRO CG C 26.94 0.2 1 1185 106 PRO CD C 49.44 0.2 1 1186 107 LYS H H 7.28 0.02 1 1187 107 LYS HA H 3.51 0.02 1 1188 107 LYS HB2 H 0.31 0.02 2 1189 107 LYS HB3 H 1.05 0.02 2 1190 107 LYS HG2 H 1.06 0.02 2 1191 107 LYS HG3 H 1.15 0.02 2 1192 107 LYS HD2 H 1.37 0.02 2 1193 107 LYS HD3 H 1.47 0.02 2 1194 107 LYS HE2 H 2.82 0.02 2 1195 107 LYS HE3 H 2.77 0.02 2 1196 107 LYS CA C 54.34 0.2 1 1197 107 LYS CB C 32.44 0.2 1 1198 107 LYS CG C 23.54 0.2 1 1199 107 LYS CD C 29.54 0.2 1 1200 107 LYS CE C 41.74 0.2 1 1201 107 LYS N N 117.94 0.2 1 1202 108 PRO HA H 4.39 0.02 1 1203 108 PRO HB2 H 1.67 0.02 2 1204 108 PRO HB3 H 1.98 0.02 2 1205 108 PRO HG2 H 1.73 0.02 2 1206 108 PRO HG3 H 1.79 0.02 2 1207 108 PRO HD2 H 3.43 0.02 2 1208 108 PRO HD3 H 3.79 0.02 2 1209 108 PRO C C 176.73 0.2 1 1210 108 PRO CA C 62.54 0.2 1 1211 108 PRO CB C 31.54 0.2 1 1212 108 PRO CG C 27.54 0.2 1 1213 108 PRO CD C 50.34 0.2 1 1214 109 THR H H 8.40 0.02 1 1215 109 THR HA H 4.26 0.02 1 1216 109 THR HB H 4.24 0.02 1 1217 109 THR HG2 H 1.27 0.02 1 1218 109 THR CA C 62.24 0.2 1 1219 109 THR CB C 69.64 0.2 1 1220 109 THR CG2 C 21.14 0.2 1 1221 109 THR N N 116.74 0.2 1 1222 111 CYS HA H 4.62 0.02 1 1223 111 CYS HB2 H 2.92 0.02 2 1224 111 CYS HB3 H 2.98 0.02 2 1225 111 CYS C C 175.03 0.2 1 1226 111 CYS CA C 58.44 0.2 1 1227 111 CYS CB C 28.34 0.2 1 1228 112 VAL H H 7.90 0.02 1 1229 112 VAL HA H 4.07 0.02 1 1230 112 VAL HB H 2.13 0.02 1 1231 112 VAL HG1 H 0.93 0.02 2 1232 112 VAL HG2 H 0.95 0.02 2 1233 112 VAL CA C 63.64 0.2 1 1234 112 VAL CB C 33.04 0.2 1 1235 112 VAL CG1 C 20.14 0.2 2 1236 112 VAL CG2 C 21.44 0.2 2 1237 112 VAL N N 126.74 0.2 1 stop_ save_ ####################################### # Cited references within the entry # ####################################### save_citation_2 _Saveframe_category citation _Citation_title ; Novel genes of the dsr gene cluster and evidence for close interaction of Dsr proteins during sulfur oxidation in the phototrophic sulfur bacterium Allochromatium vinosum ; _Citation_type journal _PubMed_ID 15687204 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dahl C. . . 2 Engels S. . . 3 Pott-Sperling A. . . 4 Schulte A. . . 5 Sander J. . . 6 Lubbe Y. . . 7 Deuster O. . . 8 Brune D. . . stop_ _Journal_abbreviation "J. Bacteriol." _Journal_volume 187 _Journal_issue 4 _Page_first 1392 _Page_last 1404 _Year 2005 save_ save_citation_3 _Saveframe_category citation _Citation_title ; Sirohaem sulfite reductase and other proteins encoded by genes at the dsr locus of Chromatium vinosum are involved in the oxidation of intracellular sulfur ; _Citation_type journal _PubMed_ID 9695921 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pott A. . . 2 Dahl C. . . stop_ _Journal_abbreviation "Microbiology (Reading, U. K.)" _Journal_volume 144 _Journal_issue 7 _Page_first 1881 _Page_last 1894 _Year 1998 save_