data_6555 #Corrected using PDB structure: 1YWSA # #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 # 16 P HA 3.30 4.36 # 27 C HA 4.39 5.17 # 28 G HA 4.07 5.04 # 50 C HA 4.92 4.14 # #After reference correction, the following residues still #have a CA chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 82 A CA 44.97 53.31 # #After reference correction, the following residues still #have a N chemical shift difference (obs*-pred) greater than 10.0ppm: #NUM AA CS Observed* Predicted # 29 D N 128.13 117.91 # 50 C N 123.16 112.10 # 82 A N 109.00 123.88 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #-0.04 -0.39 0.11 -0.28 -0.01 -0.10 # #bmr6555.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr6555.str file): #HA CA CB CO N HN #N/A -0.14 -0.14 -0.28 -0.01 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.03 +/-0.18 +/-0.22 +/-0.24 +/-0.51 +/-0.09 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.772 0.942 0.992 0.745 0.660 0.343 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.148 0.805 0.955 1.043 2.168 0.402 # #*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 ; Solution structure of YBL071w-A from Saccharomyces cerevisiae ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lukin J. A. . 2 Guido V. . . 3 Arrowsmith C. H. . stop_ _BMRB_accession_number 6555 _BMRB_flat_file_name bmr6555.str _Entry_type new _Submission_date 2005-03-18 _Accession_date 2005-03-31 _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' 377 '15N chemical shifts' 79 '13C chemical shifts' 308 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Solution structure of YBL071w-A from Saccharomyces cerevisiae ; _Citation_status submitted _Citation_type journal _MEDLINE_UI_code . _PubMed_ID . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lukin J. A. . 2 Guido V. . . 3 Arrowsmith C. H. . stop_ _Journal_abbreviation ? _Journal_volume ? _Journal_issue ? _Page_first ? _Page_last ? _Year ? loop_ _Keyword "Zinc finger" "Structural Genomics" "PSI" "Protein Structure Initiative" "Northeast Structural Genomics Consortium" "NESG" "Ontario Centre for Structural Proteomics" stop_ save_ ################################## # Molecular system description # ################################## save_system_YBL071w-A _Saveframe_category molecular_system _Mol_system_name "protein YBL071w-A" _Abbreviation_common YBL071w-A _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label "protein YBL071w-A" $YBL071w-A "ZINC ION" $ZN_2+ stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all other bound' loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 1YWS ? . stop_ save_ ######################## # Monomeric polymers # ######################## save_YBL071w-A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common YBL071w-A _Name_variant . _Abbreviation_common YBL071w-A _Mol_thiol_state 'all other bound' ############################## # Polymer residue sequence # ############################## _Residue_count 82 _Mol_residue_sequence ; MSTYDEIEIEDMTFEPENQM FTYPCPCGDRFQIYLDDMFE GEKVAVCPSCSLMIDVVFDK EDLAEYYEEAGIHPPEPIAA AA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 THR 4 TYR 5 ASP 6 GLU 7 ILE 8 GLU 9 ILE 10 GLU 11 ASP 12 MET 13 THR 14 PHE 15 GLU 16 PRO 17 GLU 18 ASN 19 GLN 20 MET 21 PHE 22 THR 23 TYR 24 PRO 25 CYS 26 PRO 27 CYS 28 GLY 29 ASP 30 ARG 31 PHE 32 GLN 33 ILE 34 TYR 35 LEU 36 ASP 37 ASP 38 MET 39 PHE 40 GLU 41 GLY 42 GLU 43 LYS 44 VAL 45 ALA 46 VAL 47 CYS 48 PRO 49 SER 50 CYS 51 SER 52 LEU 53 MET 54 ILE 55 ASP 56 VAL 57 VAL 58 PHE 59 ASP 60 LYS 61 GLU 62 ASP 63 LEU 64 ALA 65 GLU 66 TYR 67 TYR 68 GLU 69 GLU 70 ALA 71 GLY 72 ILE 73 HIS 74 PRO 75 PRO 76 GLU 77 PRO 78 ILE 79 ALA 80 ALA 81 ALA 82 ALA stop_ save_ ############# # Ligands # ############# save_ZN_2+ _Saveframe_category ligand _Mol_type non-polymer _Name_common 'ZINC (II) ION' _Abbreviation_common Zn _Name_IUPAC . _BMRB_code ZN_2+ _PDB_code ZN _Mol_empirical_formula ZN1 _Mol_charge 2+ _Mol_paramagnetic no _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN ? 2+ ? ? stop_ save_ ######################################## # Molecular bond linkage definitions # ######################################## save_crosslink_bond_definitions _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 single coodination "ZINC ION" . . ZN "protein YBL071w-A" 25 CYS SG single coodination "ZINC ION" . . ZN "protein YBL071w-A" 27 CYS SG single coodination "ZINC ION" . . ZN "protein YBL071w-A" 47 CYS SG single coodination "ZINC ION" . . ZN "protein YBL071w-A" 50 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 $YBL071w-A "baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $YBL071w-A 'recombinant technology' . . . . . 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 $YBL071w-A 1 mM "[U-15N; U-13C]" NaCl 450 mM . benzamidine 1 mM . NaN3 0.01 % . MOPS 10 mM . ZnSO4 0.01 mM . D2O 10 % . H2O 90 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $YBL071w-A 1 mM "[U-15N; U-13C]" NaCl 450 mM . benzamidine 1 mM . NaN3 0.01 % . MOPS 10 mM . ZnSO4 0.01 mM . D2O 99.9 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.1 loop_ _Task processing stop_ _Details "Delaglio, F." save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0 loop_ _Task "structure solution" stop_ _Details "Guentert, P. et al." save_ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Task refinement stop_ _Details "Brunger, A. et al." save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; 3D 15N-separated NOESY 3D 13C-separated NOESY ; save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH temperature 298 . K 'ionic strength' 450 . mM pressure 1 . atm 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 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name "protein YBL071w-A" 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 N N 120.76 0.300 1 2 1 MET H H 8.51 0.010 1 3 1 MET CA C 55.30 0.300 1 4 1 MET HA H 4.53 0.010 1 5 1 MET CB C 32.76 0.300 1 6 1 MET HB2 H 2.10 0.010 2 7 1 MET HB3 H 1.97 0.010 2 8 1 MET CG C 31.83 0.300 1 9 1 MET HG2 H 2.49 0.010 2 10 1 MET HG3 H 2.54 0.010 2 11 1 MET C C 175.73 0.300 1 12 2 SER N N 116.65 0.300 1 13 2 SER H H 8.33 0.010 1 14 2 SER CA C 58.03 0.300 1 15 2 SER HA H 4.53 0.010 1 16 2 SER CB C 63.58 0.300 1 17 2 SER HB2 H 3.86 0.010 2 18 2 SER HB3 H 3.79 0.010 2 19 2 SER C C 173.92 0.300 1 20 3 THR N N 115.23 0.300 1 21 3 THR H H 8.16 0.010 1 22 3 THR CA C 61.04 0.300 1 23 3 THR HA H 4.38 0.010 1 24 3 THR CB C 70.07 0.300 1 25 3 THR HB H 4.13 0.010 1 26 3 THR HG2 H 1.06 0.010 1 27 3 THR CG2 C 22.16 0.300 1 28 3 THR C C 174.24 0.300 1 29 4 TYR N N 124.03 0.300 1 30 4 TYR H H 9.27 0.010 1 31 4 TYR CA C 59.18 0.300 1 32 4 TYR HA H 4.43 0.010 1 33 4 TYR CB C 39.38 0.300 1 34 4 TYR HB2 H 2.93 0.010 2 35 4 TYR HB3 H 3.29 0.010 2 36 4 TYR C C 174.50 0.300 1 37 5 ASP N N 114.38 0.300 1 38 5 ASP H H 7.60 0.010 1 39 5 ASP CA C 52.22 0.300 1 40 5 ASP HA H 4.44 0.010 1 41 5 ASP CB C 43.14 0.300 1 42 5 ASP HB2 H 2.13 0.010 2 43 5 ASP HB3 H 2.35 0.010 2 44 5 ASP C C 173.04 0.300 1 45 6 GLU N N 120.34 0.300 1 46 6 GLU H H 8.96 0.010 1 47 6 GLU CA C 54.39 0.300 1 48 6 GLU HA H 5.02 0.010 1 49 6 GLU CB C 32.01 0.300 1 50 6 GLU HB2 H 1.79 0.010 2 51 6 GLU CG C 36.46 0.300 1 52 6 GLU HG2 H 1.91 0.010 2 53 6 GLU C C 173.72 0.300 1 54 7 ILE N N 125.74 0.300 1 55 7 ILE H H 8.88 0.010 1 56 7 ILE CA C 56.98 0.300 1 57 7 ILE HA H 4.30 0.010 1 58 7 ILE CB C 39.27 0.300 1 59 7 ILE HB H 1.49 0.010 1 60 7 ILE HG2 H 0.36 0.010 1 61 7 ILE CG2 C 17.03 0.300 1 62 7 ILE HD1 H 0.18 0.010 1 63 7 ILE CD1 C 10.44 0.300 1 64 7 ILE C C 175.09 0.300 1 65 8 GLU N N 125.38 0.300 1 66 8 GLU H H 8.87 0.010 1 67 8 GLU CA C 56.47 0.300 1 68 8 GLU HA H 4.39 0.010 1 69 8 GLU CB C 29.64 0.300 1 70 8 GLU HB2 H 1.90 0.010 2 71 8 GLU HB3 H 2.34 0.010 2 72 8 GLU CG C 35.99 0.300 1 73 8 GLU HG2 H 2.71 0.010 2 74 8 GLU HG3 H 2.22 0.010 2 75 8 GLU C C 178.81 0.300 1 76 9 ILE N N 122.03 0.300 1 77 9 ILE H H 8.02 0.010 1 78 9 ILE CA C 65.11 0.300 1 79 9 ILE HA H 3.46 0.010 1 80 9 ILE CB C 38.38 0.300 1 81 9 ILE HB H 1.45 0.010 1 82 9 ILE HG2 H 1.00 0.010 1 83 9 ILE CG2 C 15.80 0.300 1 84 9 ILE CG1 C 28.20 0.300 1 85 9 ILE HG12 H 0.62 0.010 2 86 9 ILE HG13 H 0.41 0.010 2 87 9 ILE HD1 H -0.14 0.010 1 88 9 ILE CD1 C 14.55 0.300 1 89 9 ILE C C 176.02 0.300 1 90 10 GLU N N 119.66 0.300 1 91 10 GLU H H 8.59 0.010 1 92 10 GLU CA C 59.07 0.300 1 93 10 GLU HA H 4.18 0.010 1 94 10 GLU CB C 28.84 0.300 1 95 10 GLU HB2 H 2.08 0.010 2 96 10 GLU CG C 35.95 0.300 1 97 10 GLU HG2 H 2.27 0.010 2 98 10 GLU HG3 H 2.35 0.010 2 99 10 GLU C C 176.37 0.300 1 100 11 ASP N N 117.03 0.300 1 101 11 ASP H H 7.97 0.010 1 102 11 ASP CA C 54.89 0.300 1 103 11 ASP HA H 4.90 0.010 1 104 11 ASP CB C 41.61 0.300 1 105 11 ASP HB2 H 2.79 0.010 2 106 11 ASP HB3 H 2.98 0.010 2 107 12 MET N N 118.34 0.300 1 108 12 MET H H 7.64 0.010 1 109 12 MET CA C 54.87 0.300 1 110 12 MET HA H 4.90 0.010 1 111 12 MET CB C 33.53 0.300 1 112 12 MET HB2 H 2.27 0.010 2 113 12 MET HE H 1.51 0.010 1 114 12 MET CE C 16.02 0.300 1 115 12 MET C C 175.77 0.300 1 116 13 THR N N 118.65 0.300 1 117 13 THR H H 9.50 0.010 1 118 13 THR CA C 62.43 0.300 1 119 13 THR HA H 4.58 0.010 1 120 13 THR CB C 69.92 0.300 1 121 13 THR HB H 4.13 0.010 1 122 13 THR HG2 H 1.16 0.010 1 123 13 THR CG2 C 21.28 0.300 1 124 13 THR C C 173.51 0.300 1 125 14 PHE N N 128.70 0.300 1 126 14 PHE H H 9.30 0.010 1 127 14 PHE CA C 55.64 0.300 1 128 14 PHE HA H 4.57 0.010 1 129 14 PHE CB C 39.69 0.300 1 130 14 PHE HB2 H 2.77 0.010 2 131 14 PHE HB3 H 2.94 0.010 2 132 14 PHE C C 174.12 0.300 1 133 15 GLU N N 129.56 0.300 1 134 15 GLU H H 8.46 0.010 1 135 15 GLU CA C 51.96 0.300 1 136 15 GLU HA H 4.64 0.010 1 137 15 GLU CB C 29.14 0.300 1 138 15 GLU HB2 H 1.86 0.010 2 139 15 GLU HB3 H 1.56 0.010 2 140 15 GLU C C 174.01 0.300 1 141 16 PRO CD C 50.89 0.300 1 142 16 PRO CA C 64.94 0.300 1 143 16 PRO HA H 3.34 0.010 1 144 16 PRO CB C 31.84 0.300 1 145 16 PRO HB2 H 1.99 0.010 2 146 16 PRO CG C 26.65 0.300 1 147 16 PRO HG2 H 1.99 0.010 2 148 16 PRO HD2 H 3.40 0.010 2 149 16 PRO HD3 H 3.82 0.010 2 150 16 PRO C C 178.12 0.300 1 151 17 GLU N N 117.97 0.300 1 152 17 GLU H H 9.20 0.010 1 153 17 GLU CA C 59.13 0.300 1 154 17 GLU HA H 4.02 0.010 1 155 17 GLU CB C 28.52 0.300 1 156 17 GLU HB2 H 1.93 0.010 2 157 17 GLU CG C 35.91 0.300 1 158 17 GLU HG2 H 2.24 0.010 2 159 17 GLU HG3 H 2.17 0.010 2 160 17 GLU C C 176.47 0.300 1 161 18 ASN N N 113.09 0.300 1 162 18 ASN H H 7.20 0.010 1 163 18 ASN CA C 52.04 0.300 1 164 18 ASN HA H 4.89 0.010 1 165 18 ASN CB C 39.65 0.300 1 166 18 ASN HB2 H 2.49 0.010 2 167 18 ASN HB3 H 2.94 0.010 2 168 18 ASN ND2 N 113.73 0.300 1 169 18 ASN HD21 H 6.79 0.010 2 170 18 ASN C C 173.63 0.300 1 171 19 GLN N N 115.78 0.300 1 172 19 GLN H H 7.74 0.010 1 173 19 GLN CA C 57.24 0.300 1 174 19 GLN HA H 3.31 0.010 1 175 19 GLN CB C 26.10 0.300 1 176 19 GLN HB2 H 2.10 0.010 2 177 19 GLN HB3 H 2.52 0.010 2 178 19 GLN CG C 33.90 0.300 1 179 19 GLN HG2 H 2.21 0.010 2 180 19 GLN NE2 N 111.84 0.300 1 181 19 GLN HE21 H 7.50 0.010 2 182 19 GLN HE22 H 6.71 0.010 2 183 19 GLN C C 172.82 0.300 1 184 20 MET N N 116.44 0.300 1 185 20 MET H H 7.05 0.010 1 186 20 MET CA C 53.85 0.300 1 187 20 MET HA H 4.94 0.010 1 188 20 MET CB C 37.76 0.300 1 189 20 MET HB2 H 1.55 0.010 2 190 20 MET CG C 30.32 0.300 1 191 20 MET HG2 H 1.98 0.010 2 192 20 MET HG3 H 1.55 0.010 2 193 20 MET HE H 1.68 0.010 1 194 20 MET CE C 16.41 0.300 1 195 20 MET C C 172.42 0.300 1 196 21 PHE N N 121.70 0.300 1 197 21 PHE H H 9.35 0.010 1 198 21 PHE CA C 55.93 0.300 1 199 21 PHE HA H 5.64 0.010 1 200 21 PHE CB C 41.63 0.300 1 201 21 PHE HB2 H 2.69 0.010 2 202 21 PHE HB3 H 2.74 0.010 2 203 21 PHE C C 176.10 0.300 1 204 22 THR N N 109.09 0.300 1 205 22 THR H H 9.31 0.010 1 206 22 THR CA C 58.90 0.300 1 207 22 THR HA H 5.92 0.010 1 208 22 THR CB C 73.41 0.300 1 209 22 THR HB H 4.20 0.010 1 210 22 THR HG2 H 1.09 0.010 1 211 22 THR CG2 C 21.47 0.300 1 212 22 THR C C 173.53 0.300 1 213 23 TYR N N 121.20 0.300 1 214 23 TYR H H 8.06 0.010 1 215 23 TYR CA C 56.61 0.300 1 216 23 TYR HA H 5.08 0.010 1 217 23 TYR CB C 43.32 0.300 1 218 23 TYR HB2 H 2.69 0.010 2 219 23 TYR HB3 H 3.33 0.010 2 220 23 TYR C C 172.02 0.300 1 221 24 PRO CD C 50.31 0.300 1 222 24 PRO CA C 64.71 0.300 1 223 24 PRO HA H 4.13 0.010 1 224 24 PRO CB C 31.84 0.300 1 225 24 PRO HB2 H 1.63 0.010 2 226 24 PRO HB3 H 2.13 0.010 2 227 24 PRO CG C 27.38 0.300 1 228 24 PRO HG2 H 1.64 0.010 2 229 24 PRO HD2 H 3.32 0.010 2 230 24 PRO HD3 H 1.99 0.010 2 231 24 PRO C C 174.06 0.300 1 232 25 CYS N N 126.15 0.300 1 233 25 CYS H H 8.24 0.010 1 234 25 CYS CA C 54.94 0.300 1 235 25 CYS HA H 4.78 0.010 1 236 25 CYS CB C 29.98 0.300 1 237 26 PRO CD C 52.12 0.300 1 238 26 PRO CA C 64.46 0.300 1 239 26 PRO HA H 4.29 0.010 1 240 26 PRO CB C 32.20 0.300 1 241 26 PRO HB2 H 1.87 0.010 2 242 26 PRO HB3 H 2.27 0.010 2 243 26 PRO CG C 26.52 0.300 1 244 26 PRO HG2 H 1.64 0.010 2 245 26 PRO HD2 H 3.38 0.010 2 246 26 PRO C C 177.76 0.300 1 247 27 CYS N N 124.01 0.300 1 248 27 CYS H H 9.73 0.010 1 249 27 CYS CA C 60.14 0.300 1 250 27 CYS HA H 4.43 0.010 1 251 27 CYS CB C 29.00 0.300 1 252 27 CYS HB2 H 2.77 0.010 2 253 27 CYS HB3 H 3.15 0.010 2 254 27 CYS C C 176.61 0.300 1 255 28 GLY N N 111.49 0.300 1 256 28 GLY H H 8.12 0.010 1 257 28 GLY CA C 44.42 0.300 1 258 28 GLY HA2 H 4.62 0.010 2 259 28 GLY HA3 H 3.60 0.010 2 260 28 GLY C C 173.77 0.300 1 261 29 ASP N N 128.13 0.300 1 262 29 ASP H H 8.73 0.010 1 263 29 ASP CA C 52.20 0.300 1 264 29 ASP HA H 4.83 0.010 1 265 29 ASP CB C 41.25 0.300 1 266 29 ASP HB2 H 3.48 0.010 2 267 29 ASP HB3 H 2.24 0.010 2 268 29 ASP C C 173.88 0.300 1 269 30 ARG N N 121.28 0.300 1 270 30 ARG H H 8.83 0.010 1 271 30 ARG CA C 55.16 0.300 1 272 30 ARG HA H 4.83 0.010 1 273 30 ARG CB C 32.77 0.300 1 274 30 ARG HB2 H 1.62 0.010 2 275 30 ARG HB3 H 1.74 0.010 2 276 30 ARG CG C 26.73 0.300 1 277 30 ARG HG2 H 1.51 0.010 2 278 30 ARG CD C 43.29 0.300 1 279 30 ARG HD2 H 3.08 0.010 2 280 30 ARG NE N 83.82 0.300 1 281 30 ARG HE H 7.31 0.010 1 282 30 ARG C C 175.08 0.300 1 283 31 PHE N N 119.94 0.300 1 284 31 PHE H H 8.79 0.010 1 285 31 PHE CA C 58.86 0.300 1 286 31 PHE HA H 3.96 0.010 1 287 31 PHE CB C 40.32 0.300 1 288 31 PHE HB3 H 2.69 0.010 2 289 31 PHE C C 176.05 0.300 1 290 32 GLN N N 116.04 0.300 1 291 32 GLN H H 7.93 0.010 1 292 32 GLN CA C 54.43 0.300 1 293 32 GLN HA H 5.49 0.010 1 294 32 GLN CB C 33.17 0.300 1 295 32 GLN HB2 H 1.98 0.010 2 296 32 GLN HB3 H 2.50 0.010 2 297 32 GLN NE2 N 111.22 0.300 1 298 32 GLN HE21 H 7.40 0.010 2 299 32 GLN HE22 H 6.97 0.010 2 300 32 GLN C C 174.97 0.300 1 301 33 ILE N N 121.25 0.300 1 302 33 ILE H H 8.49 0.010 1 303 33 ILE CA C 60.47 0.300 1 304 33 ILE HA H 4.63 0.010 1 305 33 ILE CB C 40.98 0.300 1 306 33 ILE HB H 1.74 0.010 1 307 33 ILE HG2 H 0.83 0.010 1 308 33 ILE CG2 C 14.91 0.300 1 309 33 ILE CG1 C 27.31 0.300 1 310 33 ILE HG12 H 1.14 0.010 2 311 33 ILE HG13 H 1.84 0.010 2 312 33 ILE HD1 H 0.53 0.010 1 313 33 ILE CD1 C 13.84 0.300 1 314 33 ILE C C 171.76 0.300 1 315 34 TYR N N 126.72 0.300 1 316 34 TYR H H 9.36 0.010 1 317 34 TYR CA C 58.80 0.300 1 318 34 TYR HA H 4.93 0.010 1 319 34 TYR CB C 38.44 0.300 1 320 34 TYR HB2 H 3.07 0.010 2 321 34 TYR HB3 H 3.37 0.010 2 322 34 TYR C C 176.79 0.300 1 323 35 LEU N N 125.24 0.300 1 324 35 LEU H H 8.53 0.010 1 325 35 LEU CA C 58.38 0.300 1 326 35 LEU HA H 4.40 0.010 1 327 35 LEU CB C 43.16 0.300 1 328 35 LEU HB2 H 1.34 0.010 2 329 35 LEU HB3 H 1.91 0.010 2 330 35 LEU CG C 26.57 0.300 1 331 35 LEU HG H 1.38 0.010 1 332 35 LEU HD1 H 0.71 0.010 2 333 35 LEU HD2 H 0.03 0.010 2 334 35 LEU CD1 C 23.41 0.300 1 335 35 LEU CD2 C 24.43 0.300 1 336 35 LEU C C 177.18 0.300 1 337 36 ASP N N 115.87 0.300 1 338 36 ASP H H 9.13 0.010 1 339 36 ASP CA C 57.04 0.300 1 340 36 ASP HA H 4.59 0.010 1 341 36 ASP CB C 40.05 0.300 1 342 36 ASP HB2 H 2.63 0.010 2 343 36 ASP HB3 H 2.77 0.010 2 344 36 ASP C C 178.72 0.300 1 345 37 ASP N N 118.11 0.300 1 346 37 ASP H H 7.03 0.010 1 347 37 ASP CA C 57.01 0.300 1 348 37 ASP HA H 4.61 0.010 1 349 37 ASP CB C 38.94 0.300 1 350 37 ASP HB2 H 2.75 0.010 2 351 37 ASP HB3 H 3.08 0.010 2 352 37 ASP C C 179.01 0.300 1 353 38 MET N N 123.31 0.300 1 354 38 MET H H 8.07 0.010 1 355 38 MET CA C 58.48 0.300 1 356 38 MET HA H 4.90 0.010 1 357 38 MET CB C 34.07 0.300 1 358 38 MET HB2 H 2.21 0.010 2 359 38 MET HB3 H 1.83 0.010 2 360 38 MET CG C 30.51 0.300 1 361 38 MET HG2 H 2.41 0.010 2 362 38 MET HG3 H 2.09 0.010 2 363 38 MET HE H 0.39 0.010 1 364 38 MET CE C 15.50 0.300 1 365 38 MET C C 180.10 0.300 1 366 39 PHE N N 122.47 0.300 1 367 39 PHE H H 8.74 0.010 1 368 39 PHE CA C 62.13 0.300 1 369 39 PHE HA H 3.98 0.010 1 370 39 PHE CB C 39.36 0.300 1 371 39 PHE HB2 H 3.40 0.010 2 372 39 PHE HB3 H 3.64 0.010 2 373 39 PHE C C 176.46 0.300 1 374 40 GLU N N 114.42 0.300 1 375 40 GLU H H 7.34 0.010 1 376 40 GLU CA C 55.98 0.300 1 377 40 GLU HA H 4.38 0.010 1 378 40 GLU CB C 29.55 0.300 1 379 40 GLU HB2 H 2.22 0.010 2 380 40 GLU HB3 H 2.51 0.010 2 381 40 GLU CG C 35.98 0.300 1 382 40 GLU HG2 H 2.71 0.010 2 383 40 GLU HG3 H 2.51 0.010 2 384 40 GLU C C 176.40 0.300 1 385 41 GLY N N 106.86 0.300 1 386 41 GLY H H 7.89 0.010 1 387 41 GLY CA C 44.98 0.300 1 388 41 GLY HA2 H 4.48 0.010 2 389 41 GLY HA3 H 3.67 0.010 2 390 41 GLY C C 174.15 0.300 1 391 42 GLU N N 124.18 0.300 1 392 42 GLU H H 8.43 0.010 1 393 42 GLU CA C 56.95 0.300 1 394 42 GLU HA H 4.27 0.010 1 395 42 GLU CB C 30.52 0.300 1 396 42 GLU HB2 H 1.87 0.010 2 397 42 GLU CG C 35.76 0.300 1 398 42 GLU HG2 H 2.45 0.010 2 399 42 GLU C C 174.96 0.300 1 400 43 LYS N N 117.82 0.300 1 401 43 LYS H H 8.23 0.010 1 402 43 LYS CA C 55.07 0.300 1 403 43 LYS HA H 4.84 0.010 1 404 43 LYS CB C 33.55 0.300 1 405 43 LYS HB2 H 2.08 0.010 2 406 43 LYS CG C 23.53 0.300 1 407 43 LYS HG2 H 1.36 0.010 2 408 43 LYS CD C 29.08 0.300 1 409 43 LYS HD2 H 1.51 0.010 2 410 43 LYS CE C 41.61 0.300 1 411 43 LYS HE2 H 2.68 0.010 2 412 43 LYS C C 174.13 0.300 1 413 44 VAL N N 119.82 0.300 1 414 44 VAL H H 7.89 0.010 1 415 44 VAL CA C 61.04 0.300 1 416 44 VAL HA H 5.02 0.010 1 417 44 VAL CB C 33.37 0.300 1 418 44 VAL HB H 1.95 0.010 1 419 44 VAL HG1 H 0.85 0.010 2 420 44 VAL HG2 H 0.91 0.010 2 421 44 VAL CG1 C 21.90 0.300 1 422 44 VAL CG2 C 20.90 0.300 1 423 44 VAL C C 174.72 0.300 1 424 45 ALA N N 129.12 0.300 1 425 45 ALA H H 8.89 0.010 1 426 45 ALA CA C 49.90 0.300 1 427 45 ALA HA H 4.81 0.010 1 428 45 ALA HB H 0.95 0.010 1 429 45 ALA CB C 20.52 0.300 1 430 45 ALA C C 175.49 0.300 1 431 46 VAL N N 119.10 0.300 1 432 46 VAL H H 7.98 0.010 1 433 46 VAL CA C 60.55 0.300 1 434 46 VAL HA H 5.14 0.010 1 435 46 VAL CB C 35.69 0.300 1 436 46 VAL HB H 1.97 0.010 1 437 46 VAL HG1 H 0.92 0.010 2 438 46 VAL CG1 C 20.92 0.300 1 439 46 VAL C C 176.11 0.300 1 440 47 CYS N N 134.08 0.300 1 441 47 CYS H H 9.17 0.010 1 442 47 CYS CA C 55.95 0.300 1 443 47 CYS HA H 5.15 0.010 1 444 47 CYS CB C 30.54 0.300 1 445 47 CYS HB2 H 2.20 0.010 2 446 47 CYS HB3 H 2.90 0.010 2 447 48 PRO CD C 52.05 0.300 1 448 48 PRO CA C 64.08 0.300 1 449 48 PRO HA H 4.46 0.010 1 450 48 PRO CB C 32.37 0.300 1 451 48 PRO HB2 H 2.01 0.010 2 452 48 PRO HB3 H 2.26 0.010 2 453 48 PRO CG C 26.28 0.300 1 454 48 PRO HG2 H 2.11 0.010 2 455 48 PRO C C 177.40 0.300 1 456 49 SER N N 118.60 0.300 1 457 49 SER H H 9.18 0.010 1 458 49 SER CA C 61.58 0.300 1 459 49 SER HA H 4.46 0.010 1 460 49 SER CB C 63.10 0.300 1 461 49 SER HB2 H 3.69 0.010 2 462 49 SER C C 174.91 0.300 1 463 50 CYS N N 123.16 0.300 1 464 50 CYS H H 8.77 0.010 1 465 50 CYS CA C 58.71 0.300 1 466 50 CYS HA H 4.96 0.010 1 467 50 CYS CB C 31.05 0.300 1 468 50 CYS HB2 H 3.03 0.010 2 469 50 CYS C C 176.60 0.300 1 470 51 SER N N 114.74 0.300 1 471 51 SER H H 7.75 0.010 1 472 51 SER CA C 61.01 0.300 1 473 51 SER HA H 4.24 0.010 1 474 51 SER CB C 61.89 0.300 1 475 51 SER HB2 H 4.08 0.010 2 476 51 SER C C 173.44 0.300 1 477 52 LEU N N 125.08 0.300 1 478 52 LEU H H 8.77 0.010 1 479 52 LEU CA C 56.66 0.300 1 480 52 LEU HA H 4.43 0.010 1 481 52 LEU CB C 43.70 0.300 1 482 52 LEU HB2 H 1.58 0.010 2 483 52 LEU HB3 H 2.03 0.010 2 484 52 LEU CG C 27.15 0.300 1 485 52 LEU HG H 2.04 0.010 1 486 52 LEU HD1 H 0.88 0.010 2 487 52 LEU CD1 C 23.82 0.300 1 488 52 LEU C C 175.04 0.300 1 489 53 MET N N 118.06 0.300 1 490 53 MET H H 8.06 0.010 1 491 53 MET CA C 54.25 0.300 1 492 53 MET HA H 5.72 0.010 1 493 53 MET CB C 37.22 0.300 1 494 53 MET HB2 H 1.90 0.010 2 495 53 MET CG C 32.12 0.300 1 496 53 MET HG2 H 2.46 0.010 2 497 53 MET HG3 H 2.69 0.010 2 498 53 MET HE H 2.05 0.010 1 499 53 MET CE C 17.08 0.300 1 500 53 MET C C 174.47 0.300 1 501 54 ILE N N 113.53 0.300 1 502 54 ILE H H 8.49 0.010 1 503 54 ILE CA C 59.72 0.300 1 504 54 ILE HA H 4.67 0.010 1 505 54 ILE CB C 40.83 0.300 1 506 54 ILE HB H 1.20 0.010 1 507 54 ILE HG2 H -0.03 0.010 1 508 54 ILE CG2 C 17.90 0.300 1 509 54 ILE HD1 H 0.14 0.010 1 510 54 ILE CD1 C 13.14 0.300 1 511 54 ILE C C 173.93 0.300 1 512 55 ASP N N 121.73 0.300 1 513 55 ASP H H 8.07 0.010 1 514 55 ASP CA C 54.03 0.300 1 515 55 ASP HA H 5.11 0.010 1 516 55 ASP CB C 42.74 0.300 1 517 55 ASP HB2 H 2.52 0.010 2 518 55 ASP HB3 H 2.37 0.010 2 519 55 ASP C C 174.50 0.300 1 520 56 VAL N N 122.26 0.300 1 521 56 VAL H H 8.88 0.010 1 522 56 VAL CA C 60.61 0.300 1 523 56 VAL HA H 4.80 0.010 1 524 56 VAL CB C 32.67 0.300 1 525 56 VAL HB H 1.78 0.010 1 526 56 VAL HG1 H 0.64 0.010 2 527 56 VAL HG2 H 0.56 0.010 2 528 56 VAL CG1 C 21.21 0.300 1 529 56 VAL CG2 C 21.13 0.300 1 530 56 VAL C C 173.76 0.300 1 531 57 VAL N N 127.96 0.300 1 532 57 VAL H H 8.75 0.010 1 533 57 VAL CA C 62.21 0.300 1 534 57 VAL HA H 4.00 0.010 1 535 57 VAL CB C 32.52 0.300 1 536 57 VAL HB H 1.79 0.010 1 537 57 VAL HG1 H 0.64 0.010 2 538 57 VAL HG2 H 0.79 0.010 2 539 57 VAL CG1 C 19.94 0.300 1 540 57 VAL CG2 C 19.99 0.300 1 541 57 VAL C C 175.35 0.300 1 542 58 PHE N N 123.69 0.300 1 543 58 PHE H H 7.88 0.010 1 544 58 PHE CA C 56.31 0.300 1 545 58 PHE HA H 4.79 0.010 1 546 58 PHE CB C 40.40 0.300 1 547 58 PHE HB2 H 2.89 0.010 2 548 58 PHE HB3 H 3.04 0.010 2 549 58 PHE C C 171.63 0.300 1 550 59 ASP N N 121.06 0.300 1 551 59 ASP H H 9.18 0.010 1 552 59 ASP CA C 52.03 0.300 1 553 59 ASP HA H 4.89 0.010 1 554 59 ASP CB C 43.64 0.300 1 555 59 ASP HB2 H 2.54 0.010 2 556 59 ASP HB3 H 2.85 0.010 2 557 59 ASP C C 177.23 0.300 1 558 60 LYS N N 125.60 0.300 1 559 60 LYS H H 9.00 0.010 1 560 60 LYS CA C 60.48 0.300 1 561 60 LYS HA H 4.01 0.010 1 562 60 LYS CB C 32.03 0.300 1 563 60 LYS HB2 H 1.80 0.010 2 564 60 LYS HB3 H 1.98 0.010 2 565 60 LYS CG C 24.79 0.300 1 566 60 LYS HG2 H 1.42 0.010 2 567 60 LYS CD C 28.73 0.300 1 568 60 LYS HD2 H 1.56 0.010 2 569 60 LYS CE C 41.45 0.300 1 570 60 LYS HE2 H 2.58 0.010 2 571 60 LYS C C 178.67 0.300 1 572 61 GLU N N 117.29 0.300 1 573 61 GLU H H 9.24 0.010 1 574 61 GLU CA C 59.07 0.300 1 575 61 GLU HA H 4.18 0.010 1 576 61 GLU CB C 28.84 0.300 1 577 61 GLU HB2 H 2.08 0.010 2 578 61 GLU CG C 35.91 0.300 1 579 61 GLU HG2 H 2.28 0.010 2 580 61 GLU HG3 H 2.35 0.010 2 581 61 GLU C C 178.14 0.300 1 582 62 ASP N N 118.60 0.300 1 583 62 ASP H H 8.21 0.010 1 584 62 ASP CA C 56.10 0.300 1 585 62 ASP HA H 4.67 0.010 1 586 62 ASP CB C 41.57 0.300 1 587 62 ASP HB2 H 3.00 0.010 2 588 62 ASP HB3 H 3.15 0.010 2 589 62 ASP C C 177.43 0.300 1 590 63 LEU N N 113.41 0.300 1 591 63 LEU H H 7.83 0.010 1 592 63 LEU CA C 56.54 0.300 1 593 63 LEU HA H 4.39 0.010 1 594 63 LEU CB C 41.04 0.300 1 595 63 LEU HB2 H 1.81 0.010 2 596 63 LEU HB3 H 2.33 0.010 2 597 63 LEU CG C 26.35 0.300 1 598 63 LEU HG H 2.10 0.010 1 599 63 LEU HD1 H 1.11 0.010 2 600 63 LEU HD2 H 0.40 0.010 2 601 63 LEU CD1 C 25.37 0.300 1 602 63 LEU CD2 C 20.28 0.300 1 603 63 LEU C C 178.59 0.300 1 604 64 ALA N N 121.68 0.300 1 605 64 ALA H H 7.74 0.010 1 606 64 ALA CA C 56.38 0.300 1 607 64 ALA HA H 4.20 0.010 1 608 64 ALA HB H 1.60 0.010 1 609 64 ALA CB C 17.84 0.300 1 610 64 ALA C C 179.65 0.300 1 611 65 GLU N N 115.83 0.300 1 612 65 GLU H H 8.23 0.010 1 613 65 GLU CA C 58.93 0.300 1 614 65 GLU HA H 4.05 0.010 1 615 65 GLU CB C 29.17 0.300 1 616 65 GLU HB2 H 1.87 0.010 2 617 65 GLU HB3 H 1.60 0.010 2 618 65 GLU CG C 35.12 0.300 1 619 65 GLU HG2 H 1.77 0.010 2 620 65 GLU HG3 H 1.93 0.010 2 621 65 GLU C C 177.69 0.300 1 622 66 TYR N N 119.73 0.300 1 623 66 TYR H H 7.26 0.010 1 624 66 TYR CA C 61.01 0.300 1 625 66 TYR HA H 3.87 0.010 1 626 66 TYR CB C 36.62 0.300 1 627 66 TYR HB2 H 2.47 0.010 2 628 66 TYR HB3 H 1.88 0.010 2 629 66 TYR C C 177.24 0.300 1 630 67 TYR N N 118.38 0.300 1 631 67 TYR H H 7.67 0.010 1 632 67 TYR CA C 64.16 0.300 1 633 67 TYR HA H 3.85 0.010 1 634 67 TYR CB C 36.97 0.300 1 635 67 TYR HB2 H 2.94 0.010 2 636 67 TYR HB3 H 3.16 0.010 2 637 67 TYR C C 177.62 0.300 1 638 68 GLU N N 117.43 0.300 1 639 68 GLU H H 7.83 0.010 1 640 68 GLU CA C 59.08 0.300 1 641 68 GLU HA H 4.18 0.010 1 642 68 GLU CB C 28.84 0.300 1 643 68 GLU HB2 H 2.09 0.010 2 644 68 GLU CG C 35.98 0.300 1 645 68 GLU HG2 H 2.27 0.010 2 646 68 GLU HG3 H 2.35 0.010 2 647 68 GLU C C 180.01 0.300 1 648 69 GLU N N 121.71 0.300 1 649 69 GLU H H 8.12 0.010 1 650 69 GLU CA C 58.97 0.300 1 651 69 GLU HA H 4.09 0.010 1 652 69 GLU CB C 29.41 0.300 1 653 69 GLU HB2 H 2.26 0.010 2 654 69 GLU HB3 H 2.28 0.010 2 655 69 GLU CG C 35.35 0.300 1 656 69 GLU HG2 H 2.50 0.010 2 657 69 GLU C C 177.66 0.300 1 658 70 ALA N N 118.69 0.300 1 659 70 ALA H H 8.02 0.010 1 660 70 ALA CA C 52.10 0.300 1 661 70 ALA HA H 4.33 0.010 1 662 70 ALA HB H 1.60 0.010 1 663 70 ALA CB C 19.15 0.300 1 664 70 ALA C C 176.72 0.300 1 665 71 GLY N N 108.30 0.300 1 666 71 GLY H H 8.05 0.010 1 667 71 GLY CA C 46.08 0.300 1 668 71 GLY HA2 H 4.00 0.010 2 669 71 GLY HA3 H 3.90 0.010 2 670 71 GLY C C 174.10 0.300 1 671 72 ILE N N 116.14 0.300 1 672 72 ILE H H 7.79 0.010 1 673 72 ILE CA C 59.12 0.300 1 674 72 ILE HA H 4.52 0.010 1 675 72 ILE CB C 41.21 0.300 1 676 72 ILE HB H 1.94 0.010 1 677 72 ILE HG2 H 0.89 0.010 1 678 72 ILE CG2 C 17.64 0.300 1 679 72 ILE CG1 C 26.61 0.300 1 680 72 ILE HG12 H 1.43 0.010 2 681 72 ILE HG13 H 1.05 0.010 2 682 72 ILE HD1 H 0.85 0.010 1 683 72 ILE CD1 C 13.41 0.300 1 684 72 ILE C C 174.18 0.300 1 685 73 HIS N N 121.43 0.300 1 686 73 HIS H H 8.35 0.010 1 687 73 HIS CA C 53.28 0.300 1 688 73 HIS HA H 4.90 0.010 1 689 73 HIS CB C 29.66 0.300 1 690 73 HIS HB2 H 2.91 0.010 2 691 73 HIS HB3 H 3.12 0.010 2 692 73 HIS C C 172.13 0.300 1 693 74 PRO CD C 50.09 0.300 1 694 74 PRO CA C 61.05 0.300 1 695 74 PRO HA H 3.63 0.010 1 696 74 PRO CB C 29.78 0.300 1 697 74 PRO HB2 H 1.15 0.010 2 698 74 PRO HB3 H 1.32 0.010 2 699 74 PRO CG C 26.72 0.300 1 700 74 PRO HG2 H 1.38 0.010 2 701 74 PRO HG3 H 1.75 0.010 2 702 74 PRO HD2 H 3.33 0.010 1 703 74 PRO HD3 H 3.33 0.010 1 704 75 PRO CD C 49.86 0.300 1 705 75 PRO CA C 62.34 0.300 1 706 75 PRO HA H 4.82 0.010 1 707 75 PRO CB C 34.03 0.300 1 708 75 PRO HD2 H 3.13 0.010 2 709 75 PRO HD3 H 2.21 0.010 2 710 76 GLU N N 121.77 0.300 1 711 76 GLU H H 8.46 0.010 1 712 76 GLU HA H 4.15 0.010 1 713 77 PRO CD C 50.39 0.300 1 714 77 PRO CA C 63.06 0.300 1 715 77 PRO HA H 4.44 0.010 1 716 77 PRO CB C 31.95 0.300 1 717 77 PRO HB2 H 1.86 0.010 2 718 77 PRO HB3 H 2.29 0.010 2 719 77 PRO CG C 27.20 0.300 1 720 77 PRO HG2 H 2.03 0.010 2 721 77 PRO HG3 H 2.03 0.010 2 722 77 PRO HD2 H 3.67 0.010 2 723 77 PRO HD3 H 3.82 0.010 2 724 77 PRO C C 176.76 0.300 1 725 78 ILE N N 121.92 0.300 1 726 78 ILE H H 8.34 0.010 1 727 78 ILE CA C 61.07 0.300 1 728 78 ILE HA H 4.11 0.010 1 729 78 ILE CB C 38.66 0.300 1 730 78 ILE HB H 1.84 0.010 1 731 78 ILE HG2 H 0.93 0.010 1 732 78 ILE CG2 C 17.45 0.300 1 733 78 ILE CG1 C 27.43 0.300 1 734 78 ILE HG12 H 1.19 0.010 2 735 78 ILE HG13 H 1.59 0.010 2 736 78 ILE HD1 H 0.92 0.010 1 737 78 ILE CD1 C 13.02 0.300 1 738 78 ILE C C 175.76 0.300 1 739 79 ALA N N 128.60 0.300 1 740 79 ALA H H 8.40 0.010 1 741 79 ALA CA C 52.11 0.300 1 742 79 ALA HA H 4.28 0.010 1 743 79 ALA HB H 1.36 0.010 1 744 79 ALA CB C 18.97 0.300 1 745 79 ALA C C 176.96 0.300 1 746 80 ALA N N 123.70 0.300 1 747 80 ALA H H 8.28 0.010 1 748 80 ALA CA C 52.11 0.300 1 749 80 ALA HA H 4.28 0.010 1 750 80 ALA HB H 1.36 0.010 1 751 80 ALA CB C 18.97 0.300 1 752 80 ALA C C 171.67 0.300 1 753 81 ALA N N 123.74 0.300 1 754 81 ALA H H 8.32 0.010 1 755 81 ALA CA C 52.11 0.300 1 756 81 ALA HA H 4.28 0.010 1 757 81 ALA HB H 1.36 0.010 1 758 81 ALA CB C 18.98 0.300 1 759 81 ALA C C 178.04 0.300 1 760 82 ALA N N 109.00 0.300 1 761 82 ALA H H 8.39 0.010 1 762 82 ALA CA C 45.22 0.300 1 763 82 ALA HA H 3.98 0.010 1 764 82 ALA C C 173.21 0.300 1 stop_ save_