data_6002 #Corrected using PDB structure: 1RG6A # #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 # 40 Y HA 4.78 3.71 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #-0.03 -0.04 0.25 -0.20 -1.17 -0.22 # #bmr6002.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr6002.str file): #HA CA CB CO N HN #N/A +0.11 +0.11 -0.20 -1.17 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.03 +/-0.20 +/-0.21 +/-0.20 +/-0.56 +/-0.09 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.772 0.961 0.996 0.747 0.677 0.401 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.141 0.835 0.829 0.819 2.212 0.368 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of the C-terminal domain of p63 ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cadot Bruno . . 2 Candi Eleonora . . 3 Cicero Daniel O. . 4 Desideri Alesssandro . . 5 Mele Sonia . . 6 Melino Gerry . . 7 Paci Maurizio . . stop_ _BMRB_accession_number 6002 _BMRB_flat_file_name bmr6002.str _Entry_type new _Submission_date 2003-11-11 _Accession_date 2003-11-11 _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' 423 '15N chemical shifts' 81 '13C chemical shifts' 337 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; NMR structure of the p63 SAM domain and dynamical properties of G534V and T537P pathological mutants, identified in the AEC syndrome ; _Citation_status published _Citation_type journal _MEDLINE_UI_code . _PubMed_ID 16679535 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cicero Daniel O. . 2 Falconi M. . . 3 Candi Eleonora . . 4 Mele Sonia . . 5 Cadot Bruno . . 6 "Di Venere" A. . . 7 Rufini S. . . 8 Melino Gerry . . 9 Desideri Alessandro . . stop_ _Journal_abbreviation "Cell Biochem. Biophys." _Journal_volume 44 _Journal_issue 3 _Page_first 475 _Page_last 489 _Year 2006 loop_ _Keyword "NMR spectroscopy" p53 "SAM domain" "tumor suppressor" stop_ save_ ################################## # Molecular system description # ################################## save_system_p63 _Saveframe_category molecular_system _Mol_system_name "p63 monomer" _Abbreviation_common p63 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label "p63 monomer" $p63 stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' save_ ######################## # Monomeric polymers # ######################## save_p63 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common polymer _Name_variant p63alpha _Abbreviation_common p63 _Molecular_mass 8379 _Mol_thiol_state 'all free' ############################## # Polymer residue sequence # ############################## _Residue_count 75 _Mol_residue_sequence ; PPPYPTDCSIVSFLARLGCS SCLDYFTTQGLTTIYQIEHY SMDDLASLKIPEQFRHAIWK GILDHRQLHEFAAAS ; loop_ _Residue_seq_code _Residue_label 1 PRO 2 PRO 3 PRO 4 TYR 5 PRO 6 THR 7 ASP 8 CYS 9 SER 10 ILE 11 VAL 12 SER 13 PHE 14 LEU 15 ALA 16 ARG 17 LEU 18 GLY 19 CYS 20 SER 21 SER 22 CYS 23 LEU 24 ASP 25 TYR 26 PHE 27 THR 28 THR 29 GLN 30 GLY 31 LEU 32 THR 33 THR 34 ILE 35 TYR 36 GLN 37 ILE 38 GLU 39 HIS 40 TYR 41 SER 42 MET 43 ASP 44 ASP 45 LEU 46 ALA 47 SER 48 LEU 49 LYS 50 ILE 51 PRO 52 GLU 53 GLN 54 PHE 55 ARG 56 HIS 57 ALA 58 ILE 59 TRP 60 LYS 61 GLY 62 ILE 63 LEU 64 ASP 65 HIS 66 ARG 67 GLN 68 LEU 69 HIS 70 GLU 71 PHE 72 ALA 73 ALA 74 ALA 75 SER stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $p63 Human 9606 Eukaryota Metazoa Homo sapiens p63 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $p63 'recombinant technology' "E. coli" Escherichia coli BL21 plasmid pGEXsx2 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 $p63 0.75 mM [U-15N] "sodium posphate" 25 mM . "sodium chloride" 150 mM . AEBSF 1 mM . DTT 3 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $p63 0.25 mM "[U-13C; U-15N]" "sodium posphate" 25 mM . "sodium chloride" 150 mM . AEBSF 1 mM . DTT 3 mM . stop_ save_ ############################ # Computer software used # ############################ save_NMRview _Saveframe_category software _Name NMRview _Version 5 loop_ _Task "peak-picking analysis of processed data" stop_ save_ save_InsightII _Saveframe_category software _Name InsightII _Version . loop_ _Task "graphic processing" stop_ save_ save_X-plor _Saveframe_category software _Name X-plor _Version 3.8 loop_ _Task "Structure calculation" stop_ save_ save_Procheck_NMR _Saveframe_category software _Name "Procheck NMR" _Version . loop_ _Task "Structure validation" stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 400 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; 2D 1H-15N HSQC 3D 1H-1H-15N TOCSY 3D 1H-1H-15N NOESY 3D HNHA 3D HNCA 3D HNCO 3D CBCA(co)NH 3D CBCANH 3D HBHA(co)NH 3D HACACO 2D HACA 3D hCCH TOCSY 3D HcCH TOCSY 3D HcCH COSY 3D hCCH COSY 3D C13,N15 edited NOESY 2D 1H-13C HSQC ; save_ ####################### # Sample conditions # ####################### save_Exp-cond_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.2 pH temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_shifts _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $Exp-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name "p63 monomer" 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 3 PRO CA C 63.02 0.05 1 2 3 PRO HA H 4.49 0.02 1 3 3 PRO CB C 31.74 0.05 1 4 3 PRO HB3 H 2.26 0.02 2 5 3 PRO HB2 H 1.89 0.02 2 6 3 PRO CG C 27.28 0.05 1 7 3 PRO HG3 H 2.04 0.02 1 8 3 PRO HG2 H 2.04 0.02 1 9 3 PRO CD C 50.89 0.05 1 10 3 PRO HD3 H 3.71 0.02 2 11 3 PRO HD2 H 3.91 0.02 2 12 3 PRO C C 176.00 0.05 1 13 4 TYR N N 121.45 0.05 1 14 4 TYR H H 8.31 0.02 1 15 4 TYR CA C 56.15 0.05 1 16 4 TYR HA H 4.72 0.02 1 17 4 TYR CB C 38.08 0.05 1 18 4 TYR HB3 H 3.07 0.02 2 19 4 TYR HB2 H 2.94 0.02 2 20 4 TYR CD1 C 132.79 0.05 1 21 4 TYR HD1 H 7.21 0.02 1 22 4 TYR CE1 C 117.57 0.05 1 23 4 TYR HE1 H 6.85 0.02 1 24 4 TYR CE2 C 117.57 0.05 1 25 4 TYR HE2 H 6.85 0.02 1 26 4 TYR CD2 C 132.79 0.05 1 27 4 TYR HD2 H 7.21 0.02 1 28 4 TYR C C 174.04 0.05 1 29 5 PRO CA C 63.00 0.05 1 30 5 PRO HA H 4.56 0.02 1 31 5 PRO CB C 32.00 0.05 1 32 5 PRO HB3 H 2.07 0.02 2 33 5 PRO HB2 H 2.35 0.02 2 34 5 PRO CG C 27.29 0.05 1 35 5 PRO HG3 H 2.04 0.02 1 36 5 PRO HG2 H 2.04 0.02 1 37 5 PRO CD C 50.43 0.05 1 38 5 PRO HD3 H 3.79 0.02 2 39 5 PRO HD2 H 3.50 0.02 2 40 5 PRO C C 176.60 0.05 1 41 6 THR N N 114.01 0.05 1 42 6 THR H H 8.32 0.02 1 43 6 THR CA C 62.67 0.05 1 44 6 THR HA H 4.32 0.02 1 45 6 THR CB C 69.38 0.05 1 46 6 THR HB H 4.34 0.02 1 47 6 THR CG2 C 21.76 0.05 1 48 6 THR HG2 H 1.32 0.02 1 49 6 THR C C 174.36 0.05 1 50 7 ASP CA C 53.57 0.05 1 51 7 ASP HA H 4.83 0.02 1 52 7 ASP CB C 40.68 0.05 1 53 7 ASP HB3 H 2.91 0.02 2 54 7 ASP HB2 H 2.78 0.02 2 55 7 ASP CG C 180.51 0.05 1 56 7 ASP C C 175.90 0.05 1 57 8 CYS N N 121.41 0.05 1 58 8 CYS H H 8.24 0.02 1 59 8 CYS CA C 57.73 0.05 1 60 8 CYS HA H 4.67 0.02 1 61 8 CYS CB C 28.03 0.05 1 62 8 CYS HB3 H 2.89 0.02 2 63 8 CYS HB2 H 2.98 0.02 2 64 8 CYS C C 173.80 0.05 1 65 9 SER N N 118.95 0.05 1 66 9 SER H H 8.77 0.02 1 67 9 SER CA C 58.69 0.05 1 68 9 SER HA H 4.53 0.02 1 69 9 SER CB C 64.01 0.05 1 70 9 SER HB3 H 4.22 0.02 2 71 9 SER HB2 H 4.37 0.02 2 72 9 SER C C 175.40 0.05 1 73 10 ILE N N 124.29 0.05 1 74 10 ILE H H 8.21 0.02 1 75 10 ILE CA C 64.24 0.05 1 76 10 ILE HA H 3.59 0.02 1 77 10 ILE CB C 37.26 0.05 1 78 10 ILE HB H 1.40 0.02 1 79 10 ILE CG1 C 30.13 0.05 2 80 10 ILE HG13 H 0.93 0.02 1 81 10 ILE HG12 H 0.26 0.02 1 82 10 ILE CD1 C 12.41 0.05 1 83 10 ILE HD1 H 0.25 0.02 1 84 10 ILE CG2 C 17.35 0.05 1 85 10 ILE HG2 H 0.42 0.02 1 86 10 ILE C C 176.90 0.05 1 87 11 VAL N N 119.81 0.05 1 88 11 VAL H H 8.24 0.02 1 89 11 VAL CA C 66.54 0.05 1 90 11 VAL HA H 3.67 0.02 1 91 11 VAL CB C 31.77 0.05 1 92 11 VAL HB H 2.06 0.02 1 93 11 VAL CG2 C 22.67 0.05 1 94 11 VAL HG2 H 1.18 0.02 2 95 11 VAL CG1 C 20.23 0.05 1 96 11 VAL HG1 H 1.02 0.02 2 97 11 VAL C C 177.90 0.05 1 98 12 SER N N 117.01 0.05 1 99 12 SER H H 7.96 0.02 1 100 12 SER CA C 61.06 0.05 1 101 12 SER HA H 4.25 0.02 1 102 12 SER CB C 62.12 0.05 1 103 12 SER HB3 H 3.92 0.02 1 104 12 SER HB2 H 3.92 0.02 1 105 12 SER C C 175.80 0.05 1 106 13 PHE N N 123.87 0.05 1 107 13 PHE H H 7.64 0.02 1 108 13 PHE CA C 59.97 0.05 1 109 13 PHE HA H 4.25 0.02 1 110 13 PHE CB C 39.67 0.05 1 111 13 PHE HB3 H 2.97 0.02 2 112 13 PHE HB2 H 3.08 0.02 2 113 13 PHE CD1 C 131.35 0.05 1 114 13 PHE HD1 H 6.93 0.02 1 115 13 PHE HZ H 7.11 0.02 1 116 13 PHE CD2 C 131.35 0.05 1 117 13 PHE HD2 H 6.93 0.02 1 118 13 PHE C C 176.00 0.05 1 119 14 LEU N N 114.84 0.05 1 120 14 LEU H H 8.75 0.02 1 121 14 LEU CA C 56.90 0.05 1 122 14 LEU HA H 3.56 0.02 1 123 14 LEU CB C 40.36 0.05 1 124 14 LEU HB3 H 0.91 0.02 2 125 14 LEU HB2 H 1.83 0.02 2 126 14 LEU CG C 26.56 0.05 1 127 14 LEU HG H 1.89 0.02 1 128 14 LEU CD1 C 26.07 0.05 1 129 14 LEU HD1 H 0.82 0.02 2 130 14 LEU CD2 C 21.43 0.05 1 131 14 LEU HD2 H 0.67 0.02 2 132 14 LEU C C 179.75 0.05 1 133 15 ALA N N 121.63 0.05 1 134 15 ALA H H 7.88 0.02 1 135 15 ALA CA C 55.05 0.05 1 136 15 ALA HA H 4.21 0.02 1 137 15 ALA CB C 17.62 0.05 1 138 15 ALA HB H 1.54 0.02 1 139 15 ALA C C 181.40 0.05 1 140 16 ARG N N 118.40 0.05 1 141 16 ARG H H 7.85 0.02 1 142 16 ARG CA C 58.77 0.05 1 143 16 ARG HA H 4.12 0.02 1 145 16 ARG HB3 H 1.93 0.02 2 146 16 ARG HB2 H 2.02 0.02 2 147 16 ARG CG C 27.71 0.05 1 148 16 ARG HG3 H 1.82 0.02 2 149 16 ARG HG2 H 1.72 0.02 2 150 16 ARG CD C 43.54 0.05 1 151 16 ARG HD3 H 3.28 0.02 1 152 16 ARG HD2 H 3.28 0.02 1 153 16 ARG C C 177.40 0.05 1 154 17 LEU N N 115.50 0.05 1 155 17 LEU H H 7.05 0.02 1 156 17 LEU CA C 54.06 0.05 1 157 17 LEU HA H 4.34 0.02 1 158 17 LEU CB C 43.20 0.05 1 159 17 LEU HB3 H 1.48 0.02 2 160 17 LEU HB2 H 1.59 0.02 2 161 17 LEU CG C 25.75 0.05 1 162 17 LEU HG H 1.55 0.02 1 163 17 LEU CD1 C 22.04 0.05 1 164 17 LEU HD1 H 0.68 0.02 2 165 17 LEU CD2 C 26.26 0.05 1 166 17 LEU HD2 H 0.25 0.02 2 167 17 LEU C C 177.20 0.05 1 168 18 GLY N N 107.77 0.05 1 169 18 GLY H H 7.83 0.02 1 170 18 GLY CA C 46.36 0.05 1 171 18 GLY HA3 H 4.14 0.02 2 172 18 GLY HA2 H 4.27 0.02 2 175 19 CYS H H 8.28 0.02 1 176 19 CYS CA C 57.73 0.05 1 177 19 CYS HA H 4.80 0.02 1 178 19 CYS CB C 28.95 0.05 1 179 19 CYS HB3 H 2.42 0.02 2 180 19 CYS HB2 H 3.04 0.02 2 181 19 CYS C C 175.23 0.05 1 182 20 SER N N 119.32 0.05 1 183 20 SER H H 8.70 0.02 1 184 20 SER CA C 63.21 0.05 1 185 20 SER HA H 4.86 0.02 1 186 20 SER CB C 62.17 0.05 1 187 20 SER HB3 H 3.90 0.02 1 188 20 SER HB2 H 3.90 0.02 1 189 21 SER CA C 60.56 0.05 1 190 21 SER HA H 4.36 0.02 1 191 21 SER CB C 62.13 0.05 1 192 21 SER HB3 H 3.96 0.02 2 193 21 SER HB2 H 4.07 0.02 2 194 21 SER C C 175.53 0.05 1 195 22 CYS N N 116.95 0.05 1 196 22 CYS H H 7.98 0.02 1 197 22 CYS CA C 59.61 0.05 1 198 22 CYS HA H 4.87 0.02 1 199 22 CYS CB C 27.89 0.05 1 200 22 CYS HB3 H 3.15 0.02 2 201 22 CYS HB2 H 3.20 0.02 2 202 22 CYS C C 174.29 0.05 1 203 23 LEU N N 122.29 0.05 1 204 23 LEU H H 7.72 0.02 1 205 23 LEU CA C 59.46 0.05 1 206 23 LEU HA H 4.08 0.02 1 207 23 LEU CB C 42.21 0.05 1 208 23 LEU HB3 H 1.79 0.02 2 209 23 LEU HB2 H 2.00 0.02 2 210 23 LEU CG C 26.70 0.05 1 211 23 LEU HG H 1.84 0.02 1 212 23 LEU CD1 C 24.16 0.05 1 213 23 LEU HD1 H 1.00 0.02 2 214 23 LEU CD2 C 26.30 0.05 1 215 23 LEU HD2 H 1.09 0.02 2 216 23 LEU C C 178.35 0.05 1 217 24 ASP N N 116.53 0.05 1 218 24 ASP H H 9.01 0.02 1 219 24 ASP CA C 56.94 0.05 1 220 24 ASP HA H 4.64 0.02 1 221 24 ASP CB C 39.88 0.05 1 222 24 ASP HB3 H 2.41 0.02 2 223 24 ASP HB2 H 2.49 0.02 2 224 24 ASP CG C 179.41 0.05 1 225 24 ASP C C 177.97 0.05 1 226 25 TYR N N 116.28 0.05 1 227 25 TYR H H 7.46 0.02 1 228 25 TYR CA C 61.00 0.05 1 229 25 TYR HA H 4.18 0.02 1 230 25 TYR CB C 37.70 0.05 1 231 25 TYR HB3 H 2.69 0.02 2 232 25 TYR HB2 H 2.91 0.02 2 233 25 TYR CD1 C 132.51 0.05 1 234 25 TYR HD1 H 7.40 0.02 1 235 25 TYR CE1 C 117.91 0.05 1 236 25 TYR HE1 H 6.96 0.02 1 237 25 TYR CE2 C 117.91 0.05 1 238 25 TYR HE2 H 6.96 0.02 1 239 25 TYR CD2 C 132.51 0.05 1 240 25 TYR HD2 H 7.40 0.02 1 241 25 TYR C C 176.93 0.05 1 242 26 PHE N N 112.92 0.05 1 243 26 PHE H H 7.92 0.02 1 244 26 PHE CA C 60.77 0.05 1 245 26 PHE HA H 4.52 0.02 1 246 26 PHE CB C 38.59 0.05 1 247 26 PHE HB3 H 3.37 0.02 2 248 26 PHE HB2 H 3.53 0.02 2 249 26 PHE CD1 C 130.08 0.05 3 250 26 PHE HD1 H 7.47 0.02 1 251 26 PHE CE1 C 130.26 0.05 1 252 26 PHE HE1 H 7.13 0.02 1 253 26 PHE CE2 C 130.26 0.05 1 254 26 PHE HE2 H 7.13 0.02 1 255 26 PHE CD2 C 132.28 0.05 3 256 26 PHE HD2 H 7.47 0.02 1 257 26 PHE C C 178.70 0.05 1 258 27 THR N N 114.87 0.05 1 259 27 THR H H 8.78 0.02 1 260 27 THR CA C 66.24 0.05 1 261 27 THR HA H 3.96 0.02 1 262 27 THR CB C 68.03 0.05 1 263 27 THR HB H 4.31 0.02 1 264 27 THR CG2 C 22.41 0.05 1 265 27 THR HG2 H 1.36 0.02 1 266 27 THR C C 179.32 0.05 1 267 28 THR N N 115.28 0.05 1 268 28 THR H H 8.40 0.02 1 269 28 THR CA C 65.07 0.05 1 270 28 THR HA H 4.22 0.02 1 272 28 THR HB H 4.31 0.02 1 273 28 THR CG2 C 21.61 0.05 1 274 28 THR HG2 H 1.40 0.02 1 275 28 THR C C 174.99 0.05 1 276 29 GLN N N 117.39 0.05 1 277 29 GLN H H 7.18 0.02 1 278 29 GLN CA C 53.93 0.05 1 279 29 GLN HA H 4.66 0.02 1 280 29 GLN CB C 28.41 0.05 1 281 29 GLN HB3 H 1.94 0.02 2 282 29 GLN HB2 H 2.70 0.02 2 283 29 GLN CG C 33.33 0.05 1 284 29 GLN HG3 H 2.48 0.02 2 285 29 GLN HG2 H 2.62 0.02 2 286 29 GLN CD C 179.91 0.05 1 287 29 GLN NE2 N 113.94 0.05 1 288 29 GLN HE21 H 7.70 0.02 2 289 29 GLN HE22 H 6.96 0.02 2 290 29 GLN C C 175.62 0.05 1 291 30 GLY N N 107.14 0.05 1 292 30 GLY H H 8.06 0.02 1 293 30 GLY CA C 45.81 0.05 1 294 30 GLY HA3 H 3.89 0.02 2 295 30 GLY HA2 H 4.17 0.02 2 296 30 GLY C C 173.76 0.05 1 297 31 LEU N N 121.88 0.05 1 298 31 LEU H H 7.73 0.02 1 299 31 LEU CA C 53.57 0.05 1 300 31 LEU HA H 4.61 0.02 1 301 31 LEU CB C 41.74 0.05 1 302 31 LEU HB3 H 1.05 0.02 2 303 31 LEU HB2 H 2.20 0.02 2 304 31 LEU CG C 26.12 0.05 1 305 31 LEU HG H 1.72 0.02 1 306 31 LEU CD1 C 23.14 0.05 1 307 31 LEU HD1 H 0.92 0.02 2 308 31 LEU CD2 C 27.25 0.05 1 309 31 LEU HD2 H 1.25 0.02 2 310 31 LEU C C 174.68 0.05 1 311 32 THR N N 110.79 0.05 1 312 32 THR H H 9.54 0.02 1 313 32 THR CA C 61.76 0.05 1 314 32 THR HA H 4.58 0.02 1 315 32 THR CB C 71.19 0.05 1 316 32 THR HB H 4.38 0.02 1 317 32 THR CG2 C 21.63 0.05 1 318 32 THR HG2 H 1.20 0.02 1 319 32 THR C C 176.33 0.05 1 320 33 THR N N 116.47 0.05 1 321 33 THR H H 8.63 0.02 1 322 33 THR CA C 59.71 0.05 1 323 33 THR HA H 5.21 0.02 1 324 33 THR CB C 72.63 0.05 1 325 33 THR HB H 4.29 0.02 1 326 33 THR CG2 C 21.37 0.05 1 327 33 THR HG2 H 1.28 0.02 1 328 33 THR C C 174.33 0.05 1 329 34 ILE N N 118.54 0.05 1 330 34 ILE H H 8.53 0.02 1 331 34 ILE CA C 61.70 0.05 1 332 34 ILE HA H 3.29 0.02 1 333 34 ILE CB C 37.93 0.05 1 334 34 ILE HB H 0.93 0.02 1 335 34 ILE CG1 C 27.30 0.05 2 336 34 ILE HG13 H 0.38 0.02 1 337 34 ILE HG12 H 0.12 0.02 1 338 34 ILE CD1 C 13.01 0.05 1 339 34 ILE HD1 H -0.12 0.02 1 340 34 ILE CG2 C 17.33 0.05 1 341 34 ILE HG2 H 0.03 0.02 1 342 34 ILE C C 176.05 0.05 1 343 35 TYR N N 117.40 0.05 1 344 35 TYR H H 6.86 0.02 1 345 35 TYR CA C 59.63 0.05 1 346 35 TYR HA H 4.20 0.02 1 347 35 TYR CB C 37.32 0.05 1 348 35 TYR HB3 H 2.80 0.02 2 349 35 TYR HB2 H 3.27 0.02 2 350 35 TYR CD1 C 132.07 0.05 1 351 35 TYR HD1 H 7.22 0.02 1 352 35 TYR CE1 C 117.89 0.05 1 353 35 TYR HE1 H 6.85 0.02 1 354 35 TYR CE2 C 117.89 0.05 1 355 35 TYR HE2 H 6.85 0.02 1 356 35 TYR CD2 C 132.07 0.05 1 357 35 TYR HD2 H 7.22 0.02 1 358 35 TYR C C 177.70 0.05 1 359 36 GLN N N 114.18 0.05 1 360 36 GLN H H 7.46 0.02 1 361 36 GLN CA C 57.72 0.05 1 362 36 GLN HA H 4.23 0.02 1 363 36 GLN CB C 31.45 0.05 1 364 36 GLN HB3 H 2.22 0.02 2 365 36 GLN HB2 H 2.42 0.02 2 366 36 GLN CG C 35.51 0.05 1 367 36 GLN HG3 H 2.54 0.02 2 368 36 GLN HG2 H 2.43 0.02 2 369 36 GLN CD C 180.11 0.05 1 370 36 GLN NE2 N 113.76 0.05 1 371 36 GLN HE21 H 7.99 0.02 2 372 36 GLN HE22 H 7.23 0.02 2 373 36 GLN C C 176.88 0.05 1 374 37 ILE N N 106.66 0.05 1 375 37 ILE H H 7.03 0.02 1 376 37 ILE CA C 59.89 0.05 1 377 37 ILE HA H 4.02 0.02 1 378 37 ILE CB C 39.14 0.05 1 379 37 ILE HB H 1.55 0.02 1 380 37 ILE CG1 C 26.22 0.05 2 381 37 ILE HG13 H 0.89 0.02 1 382 37 ILE HG12 H 0.72 0.02 1 383 37 ILE CD1 C 13.76 0.05 1 384 37 ILE HD1 H 0.25 0.02 1 385 37 ILE CG2 C 18.39 0.05 1 386 37 ILE HG2 H 0.50 0.02 1 387 37 ILE C C 176.42 0.05 1 388 38 GLU N N 119.89 0.05 1 389 38 GLU H H 7.13 0.02 1 390 38 GLU CA C 58.72 0.05 1 391 38 GLU HA H 3.86 0.02 1 392 38 GLU CB C 29.40 0.05 1 393 38 GLU HB3 H 1.94 0.02 2 394 38 GLU HB2 H 2.20 0.02 2 395 38 GLU CG C 34.83 0.05 1 396 38 GLU HG3 H 1.95 0.02 2 397 38 GLU HG2 H 2.39 0.02 2 398 38 GLU CD C 182.21 0.05 1 399 38 GLU C C 175.06 0.05 1 400 39 HIS N N 115.13 0.05 1 401 39 HIS H H 8.54 0.02 1 402 39 HIS CA C 55.43 0.05 1 403 39 HIS HA H 4.93 0.02 1 404 39 HIS CB C 29.74 0.05 1 405 39 HIS HB3 H 3.23 0.02 2 406 39 HIS HB2 H 3.39 0.02 2 407 39 HIS CD2 C 119.32 0.05 1 408 39 HIS HD2 H 7.28 0.02 3 409 39 HIS NE2 N 179.91 0.05 1 410 39 HIS CE1 C 137.41 0.05 1 411 39 HIS HE1 H 8.04 0.02 3 412 39 HIS ND1 N 218.63 0.05 1 413 39 HIS C C 175.56 0.05 1 414 40 TYR N N 124.18 0.05 1 415 40 TYR H H 8.09 0.02 1 416 40 TYR CA C 57.34 0.05 1 417 40 TYR HA H 4.80 0.02 1 418 40 TYR CB C 37.80 0.05 1 419 40 TYR HB3 H 3.13 0.02 2 420 40 TYR HB2 H 3.77 0.02 2 421 40 TYR CD1 C 129.59 0.05 1 422 40 TYR HD1 H 6.71 0.02 1 423 40 TYR CE1 C 117.68 0.05 1 424 40 TYR HE1 H 6.84 0.02 1 425 40 TYR CE2 C 117.68 0.05 1 426 40 TYR HE2 H 6.84 0.02 1 427 40 TYR CD2 C 129.59 0.05 1 428 40 TYR HD2 H 6.71 0.02 1 429 40 TYR C C 175.70 0.05 1 430 41 SER N N 116.44 0.05 1 431 41 SER H H 9.63 0.02 1 432 41 SER CA C 55.91 0.05 1 433 41 SER HA H 5.07 0.02 1 434 41 SER CB C 66.91 0.05 1 435 41 SER HB3 H 4.11 0.02 2 436 41 SER HB2 H 4.36 0.02 2 437 41 SER C C 175.91 0.05 1 438 42 MET N N 119.10 0.05 1 439 42 MET H H 8.38 0.02 1 440 42 MET CA C 58.45 0.05 1 441 42 MET HA H 3.90 0.02 1 442 42 MET CB C 30.98 0.05 1 443 42 MET HB3 H 1.44 0.02 2 444 42 MET HB2 H 1.74 0.02 2 445 42 MET CG C 32.52 0.05 1 446 42 MET HG3 H 2.12 0.02 2 447 42 MET HG2 H 1.69 0.02 2 448 42 MET CE C 16.64 0.05 1 449 42 MET HE H 1.75 0.02 1 450 42 MET C C 178.57 0.05 1 451 43 ASP N N 118.70 0.05 1 452 43 ASP H H 8.05 0.02 1 453 43 ASP CA C 56.99 0.05 1 454 43 ASP HA H 4.37 0.02 1 455 43 ASP CB C 40.17 0.05 1 456 43 ASP HB3 H 2.63 0.02 2 457 43 ASP HB2 H 2.48 0.02 2 458 43 ASP CG C 179.41 0.05 1 459 43 ASP C C 178.70 0.05 1 460 44 ASP N N 120.75 0.05 1 461 44 ASP H H 7.60 0.02 1 462 44 ASP CA C 57.33 0.05 1 463 44 ASP HA H 4.21 0.02 1 464 44 ASP CB C 40.21 0.05 1 465 44 ASP HB3 H 1.55 0.02 2 466 44 ASP HB2 H 2.56 0.02 2 467 44 ASP CG C 178.81 0.05 1 468 44 ASP C C 178.84 0.05 1 469 45 LEU N N 118.28 0.05 1 470 45 LEU H H 7.72 0.02 1 471 45 LEU CA C 57.46 0.05 1 472 45 LEU HA H 4.13 0.02 1 473 45 LEU CB C 41.10 0.05 1 474 45 LEU HB3 H 1.33 0.02 2 475 45 LEU HB2 H 2.30 0.02 2 476 45 LEU CG C 26.94 0.05 1 477 45 LEU HG H 2.20 0.02 1 478 45 LEU CD1 C 23.15 0.05 1 479 45 LEU HD1 H 1.19 0.02 2 480 45 LEU CD2 C 27.27 0.05 1 481 45 LEU HD2 H 1.32 0.02 2 482 45 LEU C C 178.53 0.05 1 483 46 ALA N N 121.64 0.05 1 484 46 ALA H H 8.18 0.02 1 485 46 ALA CA C 55.43 0.05 1 486 46 ALA HA H 3.97 0.02 1 487 46 ALA CB C 17.58 0.05 1 488 46 ALA HB H 1.54 0.02 1 489 46 ALA C C 181.88 0.05 1 490 47 SER N N 116.91 0.05 1 491 47 SER H H 8.20 0.02 1 492 47 SER CA C 61.32 0.05 1 493 47 SER HA H 4.29 0.02 1 494 47 SER CB C 62.53 0.05 1 495 47 SER HB3 H 4.02 0.02 2 496 47 SER HB2 H 4.07 0.02 2 497 47 SER C C 175.03 0.05 1 498 48 LEU N N 119.76 0.05 1 499 48 LEU H H 7.23 0.02 1 500 48 LEU CA C 54.87 0.05 1 501 48 LEU HA H 4.29 0.02 1 502 48 LEU CB C 42.95 0.05 1 503 48 LEU HB3 H 1.45 0.02 2 504 48 LEU HB2 H 1.84 0.02 2 505 48 LEU CG C 26.63 0.05 1 506 48 LEU HG H 1.60 0.02 1 507 48 LEU CD1 C 26.36 0.05 1 508 48 LEU HD1 H 0.73 0.02 2 509 48 LEU CD2 C 23.02 0.05 1 510 48 LEU HD2 H 0.84 0.02 2 511 48 LEU C C 175.71 0.05 1 513 49 LYS H H 7.89 0.02 1 514 49 LYS CA C 56.70 0.05 1 515 49 LYS HA H 3.65 0.02 1 516 49 LYS CB C 27.96 0.05 1 517 49 LYS HB3 H 2.03 0.02 2 518 49 LYS HB2 H 2.43 0.02 2 519 49 LYS CG C 24.85 0.05 1 520 49 LYS HG3 H 1.43 0.02 2 521 49 LYS HG2 H 1.36 0.02 2 522 49 LYS CD C 28.86 0.05 1 523 49 LYS HD3 H 1.80 0.02 2 524 49 LYS HD2 H 1.73 0.02 2 525 49 LYS CE C 42.12 0.05 1 526 49 LYS HE3 H 3.09 0.02 1 527 49 LYS HE2 H 3.09 0.02 1 528 49 LYS C C 174.66 0.05 1 529 50 ILE N N 117.72 0.05 1 530 50 ILE H H 6.80 0.02 1 531 50 ILE CA C 58.07 0.05 1 532 50 ILE HA H 3.12 0.02 1 533 50 ILE CB C 38.08 0.05 1 534 50 ILE HB H 1.41 0.02 1 535 50 ILE CG1 C 28.74 0.05 2 536 50 ILE HG13 H 1.07 0.02 1 537 50 ILE HG12 H 1.26 0.02 1 538 50 ILE CD1 C 13.62 0.05 1 539 50 ILE HD1 H 0.64 0.02 1 540 50 ILE CG2 C 17.34 0.05 1 541 50 ILE HG2 H 1.07 0.02 1 542 50 ILE C C 174.46 0.05 1 543 51 PRO CA C 63.73 0.05 1 544 51 PRO HA H 4.39 0.02 1 545 51 PRO CB C 32.78 0.05 1 546 51 PRO HB3 H 2.00 0.02 2 547 51 PRO HB2 H 2.64 0.02 2 548 51 PRO CG C 27.87 0.05 1 549 51 PRO HG3 H 2.23 0.02 2 550 51 PRO HG2 H 2.45 0.02 2 551 51 PRO CD C 51.73 0.05 1 552 51 PRO HD3 H 3.82 0.02 2 553 51 PRO HD2 H 3.48 0.02 2 554 51 PRO C C 177.17 0.05 1 555 52 GLU N N 124.37 0.05 1 556 52 GLU H H 9.16 0.02 1 557 52 GLU CA C 60.92 0.05 1 558 52 GLU HA H 3.61 0.02 1 559 52 GLU CB C 29.78 0.05 1 560 52 GLU HB3 H 2.06 0.02 2 561 52 GLU HB2 H 2.09 0.02 2 562 52 GLU CG C 36.16 0.05 1 563 52 GLU HG3 H 2.35 0.02 1 564 52 GLU HG2 H 2.35 0.02 1 565 52 GLU CD C 183.11 0.05 1 566 52 GLU C C 177.42 0.05 1 567 53 GLN N N 116.18 0.05 1 568 53 GLN H H 9.34 0.02 1 569 53 GLN CA C 58.19 0.05 1 570 53 GLN HA H 4.17 0.02 1 571 53 GLN CB C 27.36 0.05 1 572 53 GLN HB3 H 1.67 0.02 2 573 53 GLN HB2 H 1.91 0.02 2 574 53 GLN CG C 32.21 0.05 1 575 53 GLN HG3 H 1.74 0.02 2 576 53 GLN HG2 H 1.42 0.02 2 577 53 GLN CD C 180.31 0.05 1 578 53 GLN NE2 N 113.17 0.05 1 579 53 GLN HE21 H 7.35 0.02 2 580 53 GLN HE22 H 6.98 0.02 2 581 53 GLN C C 176.26 0.05 1 582 54 PHE N N 116.41 0.05 1 583 54 PHE H H 7.73 0.02 1 584 54 PHE CA C 57.78 0.05 1 585 54 PHE HA H 5.02 0.02 1 586 54 PHE CB C 41.69 0.05 1 587 54 PHE HB3 H 2.64 0.02 2 588 54 PHE HB2 H 3.67 0.02 2 589 54 PHE HD1 H 7.30 0.02 1 590 54 PHE HD2 H 7.30 0.02 1 591 54 PHE C C 175.84 0.05 1 592 55 ARG N N 117.93 0.05 1 593 55 ARG H H 7.78 0.02 1 594 55 ARG CA C 61.66 0.05 1 595 55 ARG HA H 3.82 0.02 1 596 55 ARG CB C 30.77 0.05 1 597 55 ARG HB3 H 1.95 0.02 1 598 55 ARG HB2 H 1.95 0.02 1 599 55 ARG CG C 28.91 0.05 1 600 55 ARG HG3 H 1.89 0.02 2 601 55 ARG HG2 H 1.38 0.02 2 602 55 ARG CD C 43.98 0.05 1 603 55 ARG HD3 H 3.19 0.02 1 604 55 ARG HD2 H 3.19 0.02 1 605 55 ARG C C 176.78 0.05 1 606 56 HIS N N 117.05 0.05 1 607 56 HIS H H 8.80 0.02 1 608 56 HIS CA C 60.77 0.05 1 609 56 HIS HA H 4.52 0.02 1 610 56 HIS CB C 29.60 0.05 1 611 56 HIS HB3 H 3.28 0.02 2 612 56 HIS HB2 H 3.35 0.02 2 613 56 HIS CD2 C 118.38 0.05 1 614 56 HIS HD2 H 7.28 0.02 3 615 56 HIS NE2 N 170.72 0.05 1 616 56 HIS CE1 C 137.90 0.05 1 617 56 HIS HE1 H 8.15 0.02 3 618 56 HIS ND1 N 219.70 0.05 1 619 56 HIS C C 177.02 0.05 1 620 57 ALA N N 121.75 0.05 1 621 57 ALA H H 8.37 0.02 1 622 57 ALA CA C 54.96 0.05 1 623 57 ALA HA H 4.23 0.02 1 624 57 ALA CB C 18.29 0.05 1 625 57 ALA HB H 1.61 0.02 1 626 57 ALA C C 180.75 0.05 1 627 58 ILE N N 117.68 0.05 1 628 58 ILE H H 8.06 0.02 1 629 58 ILE CA C 65.44 0.05 1 630 58 ILE HA H 3.76 0.02 1 631 58 ILE CB C 38.36 0.05 1 632 58 ILE HB H 2.03 0.02 1 633 58 ILE CG1 C 30.23 0.05 2 634 58 ILE HG13 H 0.81 0.02 1 635 58 ILE HG12 H 2.45 0.02 1 636 58 ILE CD1 C 15.07 0.05 1 637 58 ILE HD1 H 1.18 0.02 1 638 58 ILE CG2 C 18.02 0.05 1 639 58 ILE HG2 H 1.23 0.02 1 640 58 ILE C C 176.76 0.05 1 641 59 TRP N N 121.53 0.05 1 642 59 TRP H H 8.90 0.02 1 643 59 TRP CA C 61.12 0.05 1 644 59 TRP HA H 4.49 0.02 1 646 59 TRP HB3 H 3.36 0.02 2 647 59 TRP HB2 H 3.57 0.02 2 648 59 TRP CD1 C 125.43 0.05 3 649 59 TRP HD1 H 7.21 0.02 1 650 59 TRP NE1 N 130.43 0.05 1 651 59 TRP HE1 H 10.37 0.02 3 652 59 TRP CZ2 C 114.11 0.05 3 653 59 TRP HZ2 H 7.64 0.02 3 654 59 TRP CH2 C 123.80 0.05 1 655 59 TRP HH2 H 7.38 0.02 1 656 59 TRP CZ3 C 121.19 0.05 3 657 59 TRP HZ3 H 7.32 0.02 3 658 59 TRP CE3 C 120.05 0.05 3 659 59 TRP HE3 H 7.53 0.02 3 660 59 TRP C C 176.91 0.05 1 661 60 LYS N N 117.22 0.05 1 662 60 LYS H H 8.73 0.02 1 663 60 LYS CA C 58.86 0.05 1 664 60 LYS HA H 3.62 0.02 1 665 60 LYS CB C 31.44 0.05 1 666 60 LYS HB3 H 1.86 0.02 2 667 60 LYS HB2 H 1.95 0.02 2 668 60 LYS CG C 24.85 0.05 1 669 60 LYS HG3 H 1.42 0.02 2 670 60 LYS HG2 H 1.48 0.02 2 671 60 LYS CD C 28.37 0.05 1 672 60 LYS HD3 H 1.65 0.02 2 673 60 LYS HD2 H 1.75 0.02 2 674 60 LYS CE C 41.86 0.05 1 675 60 LYS HE3 H 3.05 0.02 1 676 60 LYS HE2 H 3.05 0.02 1 677 60 LYS C C 178.37 0.05 1 678 61 GLY N N 105.89 0.05 1 679 61 GLY H H 7.99 0.02 1 680 61 GLY CA C 47.49 0.05 1 681 61 GLY HA3 H 3.83 0.02 2 682 61 GLY HA2 H 4.15 0.02 2 683 61 GLY C C 176.89 0.05 1 684 62 ILE N N 126.47 0.05 1 685 62 ILE H H 8.74 0.02 1 686 62 ILE CA C 66.39 0.05 1 687 62 ILE HA H 3.59 0.02 1 688 62 ILE CB C 37.82 0.05 1 689 62 ILE HB H 2.24 0.02 1 690 62 ILE CG1 C 29.61 0.05 2 691 62 ILE HG13 H 0.70 0.02 1 692 62 ILE HG12 H 2.18 0.02 1 693 62 ILE CD1 C 14.45 0.05 1 694 62 ILE HD1 H 1.11 0.02 1 695 62 ILE CG2 C 18.03 0.05 1 696 62 ILE HG2 H 0.99 0.02 1 697 62 ILE C C 177.45 0.05 1 698 63 LEU N N 121.61 0.05 1 699 63 LEU H H 8.36 0.02 1 700 63 LEU CA C 58.10 0.05 1 701 63 LEU HA H 3.77 0.02 1 702 63 LEU CB C 40.96 0.05 1 703 63 LEU HB3 H 1.33 0.02 2 704 63 LEU HB2 H 1.49 0.02 2 705 63 LEU CG C 26.09 0.05 1 706 63 LEU HG H 0.98 0.02 1 707 63 LEU CD1 C 22.79 0.05 1 708 63 LEU HD1 H 0.58 0.02 2 709 63 LEU CD2 C 24.15 0.05 1 710 63 LEU HD2 H 0.34 0.02 2 711 63 LEU C C 179.99 0.05 1 712 64 ASP N N 119.43 0.05 1 713 64 ASP H H 8.63 0.02 1 714 64 ASP CA C 57.00 0.05 1 715 64 ASP HA H 4.44 0.02 1 716 64 ASP CB C 40.24 0.05 1 717 64 ASP HB3 H 2.72 0.02 2 718 64 ASP HB2 H 2.86 0.02 2 719 64 ASP CG C 178.91 0.05 1 720 64 ASP C C 178.35 0.05 1 721 65 HIS N N 120.49 0.05 1 722 65 HIS H H 7.99 0.02 1 723 65 HIS CA C 60.02 0.05 1 724 65 HIS HA H 4.31 0.02 1 725 65 HIS CB C 30.01 0.05 1 726 65 HIS HB3 H 3.20 0.02 2 727 65 HIS HB2 H 3.44 0.02 2 728 65 HIS CD2 C 118.44 0.05 1 729 65 HIS HD2 H 6.79 0.02 3 730 65 HIS NE2 N 176.98 0.05 1 731 65 HIS CE1 C 136.87 0.05 1 732 65 HIS HE1 H 7.37 0.02 3 733 65 HIS ND1 N 229.14 0.05 1 734 65 HIS C C 177.11 0.05 1 735 66 ARG N N 119.14 0.05 1 736 66 ARG H H 8.59 0.02 1 737 66 ARG CA C 59.01 0.05 1 738 66 ARG HA H 3.95 0.02 1 739 66 ARG CB C 30.64 0.05 1 740 66 ARG HB3 H 2.06 0.02 1 741 66 ARG HB2 H 2.06 0.02 1 742 66 ARG CG C 27.30 0.05 1 743 66 ARG HG3 H 1.71 0.02 1 744 66 ARG HG2 H 1.71 0.02 1 745 66 ARG CD C 44.09 0.05 1 746 66 ARG HD3 H 3.23 0.02 2 747 66 ARG HD2 H 3.30 0.02 2 748 66 ARG C C 178.12 0.05 1 749 67 GLN N N 117.21 0.05 1 750 67 GLN H H 8.09 0.02 1 751 67 GLN CA C 57.63 0.05 1 752 67 GLN HA H 4.15 0.02 1 753 67 GLN CB C 28.53 0.05 1 754 67 GLN HB3 H 2.19 0.02 1 755 67 GLN HB2 H 2.19 0.02 1 756 67 GLN CG C 34.02 0.05 1 757 67 GLN HG3 H 2.53 0.02 2 758 67 GLN HG2 H 2.44 0.02 2 759 67 GLN CD C 180.51 0.05 1 760 67 GLN NE2 N 112.88 0.05 1 761 67 GLN HE21 H 7.53 0.02 2 762 67 GLN HE22 H 6.90 0.02 2 763 67 GLN C C 177.06 0.05 1 764 68 LEU N N 119.37 0.05 1 765 68 LEU H H 7.77 0.02 1 766 68 LEU CA C 56.27 0.05 1 767 68 LEU HA H 4.18 0.02 1 768 68 LEU CB C 42.12 0.05 1 769 68 LEU HB3 H 1.41 0.02 2 770 68 LEU HB2 H 1.66 0.02 2 771 68 LEU HG H 0.92 0.02 1 772 68 LEU CD1 C 23.40 0.05 1 773 68 LEU HD1 H 0.84 0.02 2 774 68 LEU CD2 C 24.76 0.05 1 775 68 LEU HD2 H 0.88 0.02 2 776 68 LEU C C 177.70 0.05 1 777 69 HIS N N 116.31 0.05 1 778 69 HIS H H 7.85 0.02 1 779 69 HIS CA C 56.21 0.05 1 780 69 HIS HA H 4.57 0.02 1 781 69 HIS CB C 29.42 0.05 1 782 69 HIS HB3 H 2.92 0.02 2 783 69 HIS HB2 H 3.29 0.02 2 784 69 HIS CD2 C 120.15 0.05 1 785 69 HIS HD2 H 7.03 0.02 3 786 69 HIS NE2 N 180.92 0.05 1 787 69 HIS CE1 C 136.19 0.05 1 788 69 HIS HE1 H 8.18 0.02 3 789 69 HIS ND1 N 188.60 0.05 1 790 69 HIS C C 174.99 0.05 1 791 70 GLU N N 120.28 0.05 1 792 70 GLU H H 8.11 0.02 1 793 70 GLU CA C 57.11 0.05 1 794 70 GLU HA H 4.23 0.02 1 795 70 GLU CB C 29.80 0.05 1 796 70 GLU HB3 H 1.98 0.02 1 797 70 GLU HB2 H 1.98 0.02 1 798 70 GLU CG C 36.13 0.05 1 799 70 GLU HG3 H 2.22 0.02 2 800 70 GLU HG2 H 2.10 0.02 2 801 70 GLU CD C 183.71 0.05 1 802 70 GLU C C 176.31 0.05 1 803 71 PHE N N 120.11 0.05 1 804 71 PHE H H 8.29 0.02 1 805 71 PHE CA C 57.72 0.05 1 806 71 PHE HA H 4.65 0.02 1 807 71 PHE CB C 39.25 0.05 1 808 71 PHE HB3 H 3.10 0.02 2 809 71 PHE HB2 H 3.24 0.02 2 810 71 PHE HD1 H 7.32 0.02 1 811 71 PHE HD2 H 7.32 0.02 1 812 71 PHE C C 175.49 0.05 1 813 72 ALA N N 125.08 0.05 1 814 72 ALA H H 8.19 0.02 1 815 72 ALA CA C 52.27 0.05 1 816 72 ALA HA H 4.36 0.02 1 817 72 ALA CB C 19.22 0.05 1 818 72 ALA HB H 1.45 0.02 1 819 72 ALA C C 176.88 0.05 1 820 73 ALA N N 123.21 0.05 1 821 73 ALA H H 8.23 0.02 1 822 73 ALA CA C 52.21 0.05 1 823 73 ALA HA H 4.38 0.02 1 824 73 ALA CB C 19.28 0.05 1 825 73 ALA HB H 1.50 0.02 1 826 73 ALA C C 177.07 0.05 1 828 74 ALA H H 8.31 0.02 1 830 74 ALA HA H 4.46 0.02 1 832 74 ALA HB H 1.51 0.02 1 835 75 SER H H 7.98 0.02 1 837 75 SER HA H 4.31 0.02 1 839 75 SER HB3 H 3.94 0.02 1 840 75 SER HB2 H 3.94 0.02 1 stop_ save_