data_6505 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the Conserved Protein from the Gene Locus Mm1357 of Methanosarcina Mazei. Northeast Structural Genomics Target Mar30 ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rossi P. . . 2 Aramini J. M. . 3 Swapna G. V.T. . 4 Huang Y. P. . 5 Xiao R. . . 6 Ho C. K. . 7 Ma L. C. . 8 Acton T. B. . 9 Montelione G. T. . stop_ _BMRB_accession_number 6505 _BMRB_flat_file_name bmr6505.str _Entry_type new _Submission_date 2005-02-17 _Accession_date 2005-02-23 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 392 '15N chemical shifts' 64 '13C chemical shifts' 304 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Solution Structure of the Conserved Protein from the Gene Locus Mm1357 of Methanosarcina Mazei. Northeast Structural Genomics Target Mar30 ; _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 Rossi P. . . 2 Aramini J. M. . 3 Swapna G. V.T. . 4 Huang Y. P. . 5 Xiao R. . . 6 Ho C. K. . 7 Ma L. C. . 8 Acton T. B. . 9 Montelione G. T. . stop_ _Journal_abbreviation ? _Journal_volume ? _Journal_issue ? _Page_first ? _Page_last ? _Year ? loop_ _Keyword "MaR30" "NMR Structure" "Autostructure" "Northeast Structural Genomics" "PSI" "Protein Structure Initiative" "Northeast Structural Genomics Consortium" "NESG" stop_ save_ ################################## # Molecular system description # ################################## save_system_MM1357 _Saveframe_category molecular_system _Mol_system_name "hypothetical protein MM1357" _Abbreviation_common MM1357 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label "hypothetical protein MM1357" $MM1357 stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 1YEZ ? . stop_ save_ ######################## # Monomeric polymers # ######################## save_MM1357 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MM1357 _Name_variant . _Abbreviation_common MM1357 _Mol_thiol_state 'not present' ############################## # Polymer residue sequence # ############################## _Residue_count 68 _Mol_residue_sequence ; MFREESRSVPVEEGEVYDVT IQDIARQGDGIARIEGFVIF VPGTKVGDEVRIKVERVLPK FAFASVVE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 PHE 3 ARG 4 GLU 5 GLU 6 SER 7 ARG 8 SER 9 VAL 10 PRO 11 VAL 12 GLU 13 GLU 14 GLY 15 GLU 16 VAL 17 TYR 18 ASP 19 VAL 20 THR 21 ILE 22 GLN 23 ASP 24 ILE 25 ALA 26 ARG 27 GLN 28 GLY 29 ASP 30 GLY 31 ILE 32 ALA 33 ARG 34 ILE 35 GLU 36 GLY 37 PHE 38 VAL 39 ILE 40 PHE 41 VAL 42 PRO 43 GLY 44 THR 45 LYS 46 VAL 47 GLY 48 ASP 49 GLU 50 VAL 51 ARG 52 ILE 53 LYS 54 VAL 55 GLU 56 ARG 57 VAL 58 LEU 59 PRO 60 LYS 61 PHE 62 ALA 63 PHE 64 ALA 65 SER 66 VAL 67 VAL 68 GLU stop_ _Sequence_homology_query_date 2005-12-19 _Sequence_homology_query_revised_last_date 2005-12-19 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 1YEZ "A Chain A, Solution Structure Of TheConserved Protein From The Gene Locus Mm1357 OfMethanosarcina Mazei. Northeast Structural GenomicsTarget Mar30" 100.00 68 100 100 8e-31 GenBank AAM31053.1 "conserved protein [Methanosarcinamazei Goe1]" 100.00 68 100 100 8e-31 GenBank AAZ69995.1 "conserved hypothetical protein[Methanosarcina barkeri str. fusaro]" 100.00 68 100 100 8e-31 GenBank AAZ69994.1 "conserved hypothetical protein[Methanosarcina barkeri str. fusaro]" 100.00 68 99 100 1e-30 GenBank AAM03512.1 "conserved hypothetical protein[Methanosarcina acetivorans str. C2A]" 95.77 71 100 100 8e-31 REF NP_633381.1 "hypothetical protein MM1357[Methanosarcina mazei Go1]" 100.00 68 100 100 8e-31 REF YP_304575.1 "hypothetical protein Mbar_A1027[Methanosarcina barkeri str. fusaro]" 100.00 68 100 100 8e-31 REF ZP_00542437.1 "Deoxyribonuclease/rhomotif-related TRAM [Methanosarcina barkeri str. fusaro]" 100.00 68 100 100 8e-31 REF ZP_00542436.1 "Deoxyribonuclease/rhomotif-related TRAM [Methanosarcina barkeri str. fusaro]" 100.00 68 99 100 1e-30 REF NP_615032.1 "hypothetical protein MA0058[Methanosarcina acetivorans C2A]" 95.77 71 100 100 8e-31 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MM1357 "Methanosarcina mazei" 2209 Archaea . Methanosarcina mazei 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 $MM1357 '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 $MM1357 2 mM "[U-13C; U-15N]" NaN3 0.02 % . DTT 10 mM . CaCl2 5 mM . NaCl 100 mM . MES 20 mM . D2O 5 % . H2O 95 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MM1357 0.56 mM "[U-13C; U-15N]" NaN3 0.02 % . DTT 10 mM . CaCl2 5 mM . NaCl 100 mM . MES 20 mM . D2O 100 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MM1357 0.78 mM "[U-5% 13C; U-15N]" NaN3 0.02 % . DTT 10 mM . CaCl2 5 mM . NaCl 100 mM . MES 20 mM . D2O 5 % . H2O 95 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Task collection stop_ _Details Varian save_ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Task collection stop_ _Details "Bruker Biospin" save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.1 loop_ _Task processing stop_ _Details Delaglio save_ save_Sparky _Saveframe_category software _Name Sparky _Version 3.91 loop_ _Task "data analysis" stop_ _Details Goddard save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version 1.14 loop_ _Task "data analysis" stop_ _Details "Zimmerman, Moseley, Montelione." save_ save_AutoStructure _Saveframe_category software _Name AutoStructure _Version 2.1.0 loop_ _Task refinement stop_ _Details "Huang, Montelione." save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; 3D 13C-separated NOESY 3D 15N-separated NOESY Hi-res CH-HSQC HcCH-COSY Hi-res CH-HSQC (stereo V and L Meth.) HNHA TR exp. backbone TOCSYs HcCH-COSY ; 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 293 . K 'ionic strength' 100 . 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 _Indirect_shift_ratio_citation_label DSS H 1 "methyl protons" ppm 0.00 internal direct cylindrical external parallel . $ref-2 DSS C 13 "methyl protons" ppm 0.00 external indirect cylindrical external parallel . $ref-2 DSS N 15 "methyl protons" ppm 0.00 external indirect cylindrical external parallel . $ref-2 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 "hypothetical protein MM1357" 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 2.113 0.02 1 2 1 MET CE C 17.070 0.1 1 3 2 PHE HA H 4.689 0.02 1 4 2 PHE HB2 H 3.124 0.02 2 5 2 PHE HB3 H 3.126 0.02 2 6 2 PHE C C 175.077 0.1 1 7 2 PHE CA C 58.297 0.1 1 8 2 PHE CB C 39.802 0.1 1 9 2 PHE CD1 C 131.75 0.1 1 10 2 PHE CD2 C 131.75 0.1 1 11 2 PHE HD1 H 7.312 0.02 1 12 2 PHE HD2 H 7.312 0.02 1 13 2 PHE HE1 H 7.396 0.02 1 14 2 PHE HE2 H 7.396 0.02 1 15 2 PHE CE1 C 131.75 0.1 1 16 2 PHE CE2 C 131.75 0.1 1 17 3 ARG H H 8.310 0.02 1 18 3 ARG HA H 4.289 0.02 1 19 3 ARG HB2 H 1.800 0.02 2 20 3 ARG HB3 H 1.697 0.02 2 21 3 ARG HG2 H 1.551 0.02 2 22 3 ARG HG3 H 1.550 0.02 2 23 3 ARG HD2 H 3.191 0.02 2 24 3 ARG HD3 H 3.195 0.02 2 25 3 ARG C C 175.452 0.1 1 26 3 ARG CA C 56.005 0.1 1 27 3 ARG CB C 31.385 0.1 1 28 3 ARG CG C 27.285 0.1 1 29 3 ARG CD C 43.555 0.1 1 30 3 ARG N N 124.615 0.1 1 31 4 GLU H H 8.514 0.02 1 32 4 GLU HA H 4.222 0.02 1 33 4 GLU HB2 H 2.083 0.02 2 34 4 GLU HB3 H 1.972 0.02 2 35 4 GLU HG2 H 2.309 0.02 2 36 4 GLU HG3 H 2.307 0.02 2 37 4 GLU C C 176.592 0.1 1 38 4 GLU CA C 56.993 0.1 1 39 4 GLU CB C 30.375 0.1 1 40 4 GLU CG C 36.432 0.1 1 41 4 GLU N N 123.225 0.1 1 42 5 GLU H H 8.620 0.02 1 43 5 GLU HA H 4.313 0.02 1 44 5 GLU HB2 H 2.096 0.02 2 45 5 GLU HB3 H 1.977 0.02 2 46 5 GLU HG2 H 2.310 0.02 2 47 5 GLU HG3 H 2.306 0.02 2 48 5 GLU C C 176.572 0.1 1 49 5 GLU CA C 56.959 0.1 1 50 5 GLU CB C 30.435 0.1 1 51 5 GLU CG C 36.430 0.1 1 52 5 GLU N N 122.412 0.1 1 53 6 SER H H 8.401 0.02 1 54 6 SER HA H 4.458 0.02 1 55 6 SER HB2 H 3.880 0.02 2 56 6 SER HB3 H 3.882 0.02 2 57 6 SER C C 174.405 0.1 1 58 6 SER CA C 58.602 0.1 1 59 6 SER CB C 63.898 0.1 1 60 6 SER N N 117.203 0.1 1 61 7 ARG H H 8.390 0.02 1 62 7 ARG HA H 4.458 0.02 1 63 7 ARG HB2 H 1.791 0.02 2 64 7 ARG HB3 H 1.924 0.02 2 65 7 ARG HG2 H 1.665 0.02 2 66 7 ARG HG3 H 1.669 0.02 2 67 7 ARG HD2 H 3.229 0.02 2 68 7 ARG HD3 H 3.225 0.02 2 69 7 ARG C C 176.303 0.1 1 70 7 ARG CA C 56.094 0.1 1 71 7 ARG CB C 31.241 0.1 1 72 7 ARG CG C 27.200 0.1 1 73 7 ARG CD C 43.668 0.1 1 74 7 ARG N N 123.320 0.1 1 75 8 SER H H 8.513 0.02 1 76 8 SER HA H 4.458 0.02 1 77 8 SER HB2 H 3.871 0.02 2 78 8 SER HB3 H 3.874 0.02 2 79 8 SER C C 174.085 0.1 1 80 8 SER CA C 58.794 0.1 1 81 8 SER CB C 63.931 0.1 1 82 8 SER N N 118.300 0.1 1 83 9 VAL H H 8.023 0.02 1 84 9 VAL HA H 4.148 0.02 1 85 9 VAL HB H 1.640 0.02 1 86 9 VAL HG1 H 0.612 0.02 1 87 9 VAL HG2 H 0.806 0.02 1 88 9 VAL C C 175.876 0.1 1 89 9 VAL CA C 59.439 0.1 1 90 9 VAL CB C 32.775 0.1 1 91 9 VAL CG1 C 21.699 0.1 1 92 9 VAL CG2 C 20.478 0.1 1 93 9 VAL N N 122.142 0.1 1 94 10 PRO HA H 4.359 0.02 1 95 10 PRO HB2 H 2.053 0.02 2 96 10 PRO HB3 H 1.786 0.02 2 97 10 PRO HG2 H 2.143 0.02 2 98 10 PRO HG3 H 1.531 0.02 2 99 10 PRO HD2 H 3.560 0.02 2 100 10 PRO HD3 H 2.701 0.02 2 101 10 PRO C C 175.440 0.1 1 102 10 PRO CA C 64.464 0.1 1 103 10 PRO CB C 32.393 0.1 1 104 10 PRO CG C 27.518 0.1 1 105 10 PRO CD C 50.761 0.1 1 106 11 VAL H H 6.202 0.02 1 107 11 VAL HA H 4.845 0.02 1 108 11 VAL HB H 1.829 0.02 1 109 11 VAL HG2 H 0.451 0.02 1 110 11 VAL HG1 H 0.367 0.02 1 111 11 VAL C C 173.256 0.1 1 112 11 VAL CA C 58.412 0.1 1 113 11 VAL CB C 35.455 0.1 1 114 11 VAL CG2 C 18.936 0.1 1 115 11 VAL CG1 C 22.531 0.1 1 116 11 VAL N N 107.845 0.1 1 117 12 GLU H H 7.943 0.02 1 118 12 GLU HA H 4.524 0.02 1 119 12 GLU HB2 H 1.722 0.02 2 120 12 GLU HB3 H 1.970 0.02 2 121 12 GLU HG2 H 2.203 0.02 2 122 12 GLU HG3 H 2.200 0.02 2 123 12 GLU C C 175.182 0.1 1 124 12 GLU CA C 54.276 0.1 1 125 12 GLU CB C 33.866 0.1 1 126 12 GLU CG C 36.215 0.1 1 127 12 GLU N N 118.615 0.1 1 128 13 GLU H H 8.852 0.02 1 129 13 GLU HA H 3.612 0.02 1 130 13 GLU HB2 H 1.991 0.02 2 131 13 GLU HB3 H 1.973 0.02 2 132 13 GLU HG2 H 2.403 0.02 2 133 13 GLU HG3 H 2.156 0.02 2 134 13 GLU C C 177.357 0.1 1 135 13 GLU CA C 58.882 0.1 1 136 13 GLU CB C 29.546 0.1 1 137 13 GLU CG C 37.576 0.1 1 138 13 GLU N N 121.932 0.1 1 139 14 GLY H H 9.262 0.02 1 140 14 GLY HA2 H 4.436 0.02 2 141 14 GLY HA3 H 3.573 0.02 2 142 14 GLY C C 173.820 0.1 1 143 14 GLY CA C 45.449 0.1 1 144 14 GLY N N 113.295 0.1 1 145 15 GLU H H 7.554 0.02 1 146 15 GLU HA H 4.322 0.02 1 147 15 GLU HB2 H 2.307 0.02 2 148 15 GLU HB3 H 1.868 0.02 2 149 15 GLU HG2 H 2.312 0.02 2 150 15 GLU HG3 H 2.077 0.02 2 151 15 GLU C C 174.468 0.1 1 152 15 GLU CA C 56.098 0.1 1 153 15 GLU CB C 31.948 0.1 1 154 15 GLU CG C 37.547 0.1 1 155 15 GLU N N 120.190 0.1 1 156 16 VAL H H 7.843 0.02 1 157 16 VAL HA H 5.556 0.02 1 158 16 VAL HB H 1.705 0.02 1 159 16 VAL HG1 H 0.844 0.02 2 160 16 VAL HG2 H 0.843 0.02 2 161 16 VAL C C 175.852 0.1 1 162 16 VAL CA C 59.824 0.1 1 163 16 VAL CB C 34.339 0.1 1 164 16 VAL CG1 C 21.089 0.1 2 165 16 VAL CG2 C 21.095 0.1 2 166 16 VAL N N 118.532 0.1 1 167 17 TYR H H 8.766 0.02 1 168 17 TYR HA H 4.752 0.02 1 169 17 TYR HB2 H 2.993 0.02 2 170 17 TYR HB3 H 2.210 0.02 2 171 17 TYR HE1 H 6.787 0.02 1 172 17 TYR HE2 H 6.787 0.02 1 173 17 TYR HD1 H 6.948 0.02 1 174 17 TYR HD2 H 6.948 0.02 1 175 17 TYR C C 173.724 0.1 1 176 17 TYR CA C 56.997 0.1 1 177 17 TYR CB C 44.014 0.1 1 178 17 TYR CE1 C 118.420 0.1 1 179 17 TYR CE2 C 118.420 0.1 1 180 17 TYR CD1 C 133.321 0.1 1 181 17 TYR CD2 C 133.321 0.1 1 182 17 TYR N N 121.802 0.1 1 183 18 ASP H H 8.779 0.02 1 184 18 ASP HA H 5.510 0.02 1 185 18 ASP HB2 H 2.638 0.02 2 186 18 ASP HB3 H 2.576 0.02 2 187 18 ASP C C 176.120 0.1 1 188 18 ASP CA C 54.706 0.1 1 189 18 ASP CB C 41.896 0.1 1 190 18 ASP N N 122.928 0.1 1 191 19 VAL H H 9.040 0.02 1 192 19 VAL HA H 5.016 0.02 1 193 19 VAL HB H 2.202 0.02 1 194 19 VAL HG1 H 0.756 0.02 1 195 19 VAL HG2 H 0.646 0.02 1 196 19 VAL C C 174.733 0.1 1 197 19 VAL CA C 59.138 0.1 1 198 19 VAL CB C 36.836 0.1 1 199 19 VAL CG1 C 21.799 0.1 1 200 19 VAL CG2 C 19.116 0.1 1 201 19 VAL N N 115.509 0.1 1 202 20 THR H H 8.130 0.02 1 203 20 THR HA H 5.354 0.02 1 204 20 THR HB H 3.905 0.02 1 205 20 THR HG2 H 1.110 0.02 1 206 20 THR C C 174.681 0.1 1 207 20 THR CA C 61.119 0.1 1 208 20 THR CB C 70.584 0.1 1 209 20 THR CG2 C 21.571 0.1 1 210 20 THR N N 116.340 0.1 1 211 21 ILE H H 9.022 0.02 1 212 21 ILE HA H 4.082 0.02 1 213 21 ILE HB H 2.522 0.02 1 214 21 ILE HG12 H 1.833 0.02 2 215 21 ILE HG13 H 1.494 0.02 2 216 21 ILE HG2 H 0.879 0.02 1 217 21 ILE HD1 H 0.519 0.02 1 218 21 ILE C C 177.433 0.1 1 219 21 ILE CA C 59.640 0.1 1 220 21 ILE CB C 34.250 0.1 1 221 21 ILE CG1 C 25.799 0.1 1 222 21 ILE CG2 C 17.740 0.1 1 223 21 ILE CD1 C 9.182 0.1 1 224 21 ILE N N 127.525 0.1 1 225 22 GLN H H 9.099 0.02 1 226 22 GLN HA H 4.579 0.02 1 227 22 GLN HB2 H 2.232 0.02 2 228 22 GLN HB3 H 1.895 0.02 2 229 22 GLN HG2 H 2.497 0.02 2 230 22 GLN HG3 H 2.481 0.02 2 231 22 GLN HE21 H 7.640 0.02 2 232 22 GLN HE22 H 7.011 0.02 2 233 22 GLN C C 174.552 0.1 1 234 22 GLN CA C 56.908 0.1 1 235 22 GLN CB C 32.327 0.1 1 236 22 GLN CG C 33.938 0.1 1 237 22 GLN N N 128.004 0.1 1 238 22 GLN NE2 N 112.303 0.1 1 239 23 ASP H H 7.946 0.02 1 240 23 ASP HA H 4.859 0.02 1 241 23 ASP HB2 H 2.521 0.02 2 242 23 ASP HB3 H 2.514 0.02 2 243 23 ASP C C 172.685 0.1 1 244 23 ASP CA C 52.977 0.1 1 245 23 ASP CB C 45.147 0.1 1 246 23 ASP N N 118.006 0.1 1 247 24 ILE H H 8.982 0.02 1 248 24 ILE HA H 4.740 0.02 1 249 24 ILE HB H 1.807 0.02 1 250 24 ILE HG12 H 1.372 0.02 2 251 24 ILE HG13 H 1.432 0.02 2 252 24 ILE HG2 H 0.958 0.02 1 253 24 ILE HD1 H 0.861 0.02 1 254 24 ILE C C 175.636 0.1 1 255 24 ILE CA C 58.740 0.1 1 256 24 ILE CB C 39.663 0.1 1 257 24 ILE CG1 C 27.099 0.1 1 258 24 ILE CG2 C 17.150 0.1 1 259 24 ILE CD1 C 11.243 0.1 1 260 24 ILE N N 120.052 0.1 1 261 25 ALA H H 9.282 0.02 1 262 25 ALA HA H 4.467 0.02 1 263 25 ALA HB H 1.505 0.02 1 264 25 ALA C C 179.136 0.1 1 265 25 ALA CA C 51.571 0.1 1 266 25 ALA CB C 21.197 0.1 1 267 25 ALA N N 129.385 0.1 1 268 26 ARG HA H 4.046 0.02 1 269 26 ARG HB2 H 1.939 0.02 2 270 26 ARG HB3 H 1.844 0.02 2 271 26 ARG HG2 H 1.728 0.02 2 272 26 ARG HG3 H 1.721 0.02 2 273 26 ARG HD2 H 3.269 0.02 2 274 26 ARG HD3 H 3.265 0.02 2 275 26 ARG C C 177.906 0.1 1 276 26 ARG CA C 59.621 0.1 1 277 26 ARG CB C 29.955 0.1 1 278 26 ARG CG C 27.344 0.1 1 279 26 ARG CD C 43.719 0.1 1 280 27 GLN H H 8.182 0.02 1 281 27 GLN HA H 4.470 0.02 1 282 27 GLN HB2 H 2.120 0.02 2 283 27 GLN HB3 H 2.125 0.02 2 284 27 GLN HG2 H 2.328 0.02 1 285 27 GLN HG3 H 2.328 0.02 1 286 27 GLN HE21 H 7.530 0.02 2 287 27 GLN HE22 H 5.790 0.02 2 288 27 GLN C C 176.697 0.1 1 289 27 GLN CA C 55.980 0.1 1 290 27 GLN CB C 27.172 0.1 1 291 27 GLN CG C 33.581 0.1 1 292 27 GLN N N 113.454 0.1 1 293 27 GLN NE2 N 110.425 0.1 1 294 28 GLY H H 7.832 0.02 1 295 28 GLY HA2 H 4.476 0.02 2 296 28 GLY HA3 H 3.525 0.02 2 297 28 GLY C C 174.390 0.1 1 298 28 GLY CA C 45.554 0.1 1 299 28 GLY N N 107.213 0.1 1 300 29 ASP H H 7.414 0.02 1 301 29 ASP HA H 4.674 0.02 1 302 29 ASP HB2 H 2.609 0.02 2 303 29 ASP HB3 H 2.337 0.02 2 304 29 ASP C C 175.108 0.1 1 305 29 ASP CA C 55.377 0.1 1 306 29 ASP CB C 42.025 0.1 1 307 29 ASP N N 120.640 0.1 1 308 30 GLY H H 7.725 0.02 1 309 30 GLY HA2 H 3.938 0.02 2 310 30 GLY HA3 H 4.258 0.02 2 311 30 GLY C C 172.750 0.1 1 312 30 GLY CA C 45.708 0.1 1 313 30 GLY N N 109.205 0.1 1 314 31 ILE H H 8.493 0.02 1 315 31 ILE HA H 4.832 0.02 1 316 31 ILE HB H 1.269 0.02 1 317 31 ILE HG12 H 1.575 0.02 2 318 31 ILE HG13 H 0.830 0.02 2 319 31 ILE HG2 H 0.661 0.02 1 320 31 ILE HD1 H 0.726 0.02 1 321 31 ILE C C 174.904 0.1 1 322 31 ILE CA C 61.047 0.1 1 323 31 ILE CB C 41.449 0.1 1 324 31 ILE CG1 C 28.072 0.1 1 325 31 ILE CG2 C 17.563 0.1 1 326 31 ILE CD1 C 14.185 0.1 1 327 31 ILE N N 120.622 0.1 1 328 32 ALA H H 9.237 0.02 1 329 32 ALA HA H 4.834 0.02 1 330 32 ALA HB H 1.180 0.02 1 331 32 ALA C C 174.969 0.1 1 332 32 ALA CA C 49.468 0.1 1 333 32 ALA CB C 22.431 0.1 1 334 32 ALA N N 130.615 0.1 1 335 33 ARG H H 8.710 0.02 1 336 33 ARG HA H 5.391 0.02 1 337 33 ARG HB2 H 1.570 0.02 2 338 33 ARG HB3 H 1.141 0.02 2 339 33 ARG HG2 H 1.335 0.02 2 340 33 ARG HG3 H 1.132 0.02 2 341 33 ARG HD2 H 3.075 0.02 2 342 33 ARG HD3 H 2.918 0.02 2 343 33 ARG C C 176.262 0.1 1 344 33 ARG CA C 54.853 0.1 1 345 33 ARG CB C 34.821 0.1 1 346 33 ARG CG C 29.223 0.1 1 347 33 ARG CD C 43.504 0.1 1 348 33 ARG N N 116.951 0.1 1 349 34 ILE H H 8.207 0.02 1 350 34 ILE HA H 4.127 0.02 1 351 34 ILE HB H 1.278 0.02 1 352 34 ILE HG12 H 1.022 0.02 2 353 34 ILE HG13 H 0.855 0.02 2 354 34 ILE HG2 H 0.634 0.02 1 355 34 ILE HD1 H 0.168 0.02 1 356 34 ILE C C 175.140 0.1 1 357 34 ILE CA C 60.780 0.1 1 358 34 ILE CB C 40.328 0.1 1 359 34 ILE CG1 C 27.134 0.1 1 360 34 ILE CG2 C 17.003 0.1 1 361 34 ILE CD1 C 12.708 0.1 1 362 34 ILE N N 122.922 0.1 1 363 35 GLU H H 9.387 0.02 1 364 35 GLU HA H 3.845 0.02 1 365 35 GLU HB2 H 2.257 0.02 2 366 35 GLU HB3 H 1.976 0.02 2 367 35 GLU HG2 H 2.305 0.02 2 368 35 GLU HG3 H 2.249 0.02 2 369 35 GLU C C 176.849 0.1 1 370 35 GLU CA C 57.066 0.1 1 371 35 GLU CB C 27.623 0.1 1 372 35 GLU CG C 36.212 0.1 1 373 35 GLU N N 126.123 0.1 1 374 36 GLY H H 8.456 0.02 1 375 36 GLY HA2 H 4.257 0.02 2 376 36 GLY HA3 H 3.517 0.02 2 377 36 GLY C C 172.488 0.1 1 378 36 GLY CA C 45.687 0.1 1 379 36 GLY N N 103.777 0.1 1 380 37 PHE H H 8.322 0.02 1 381 37 PHE HA H 4.550 0.02 1 382 37 PHE HB2 H 3.215 0.02 2 383 37 PHE HB3 H 2.853 0.02 2 384 37 PHE C C 174.611 0.1 1 385 37 PHE CA C 58.048 0.1 1 386 37 PHE CB C 41.800 0.1 1 387 37 PHE N N 126.940 0.1 1 388 37 PHE CD1 C 131.68 0.1 1 389 37 PHE CD2 C 131.68 0.1 1 390 37 PHE CE1 C 131.32 0.1 1 391 37 PHE CE2 C 131.32 0.1 1 392 37 PHE HD1 H 7.022 0.02 1 393 37 PHE HD2 H 7.022 0.02 1 394 37 PHE HE1 H 7.103 0.02 1 395 37 PHE HE2 H 7.103 0.02 1 396 37 PHE CZ C 130.275 0.1 1 397 37 PHE HZ H 7.339 0.02 1 398 38 VAL H H 7.590 0.02 1 399 38 VAL HA H 3.554 0.02 1 400 38 VAL HB H 1.534 0.02 1 401 38 VAL HG2 H 0.834 0.02 1 402 38 VAL HG1 H 0.082 0.02 1 403 38 VAL C C 172.990 0.1 1 404 38 VAL CA C 64.586 0.1 1 405 38 VAL CB C 32.869 0.1 1 406 38 VAL CG2 C 23.188 0.1 1 407 38 VAL CG1 C 21.035 0.1 1 408 38 VAL N N 128.609 0.1 1 409 39 ILE H H 8.634 0.02 1 410 39 ILE HA H 4.286 0.02 1 411 39 ILE HB H 1.495 0.02 1 412 39 ILE HG12 H 1.462 0.02 2 413 39 ILE HG13 H 0.956 0.02 2 414 39 ILE HG2 H 0.601 0.02 1 415 39 ILE HD1 H 0.601 0.02 1 416 39 ILE C C 174.927 0.1 1 417 39 ILE CA C 58.759 0.1 1 418 39 ILE CB C 40.419 0.1 1 419 39 ILE CG1 C 27.484 0.1 1 420 39 ILE CG2 C 19.687 0.1 1 421 39 ILE CD1 C 15.194 0.1 1 422 39 ILE N N 125.811 0.1 1 423 40 PHE H H 8.844 0.02 1 424 40 PHE HA H 5.363 0.02 1 425 40 PHE HB2 H 3.116 0.02 2 426 40 PHE HB3 H 2.744 0.02 2 427 40 PHE C C 176.551 0.1 1 428 40 PHE CA C 56.853 0.1 1 429 40 PHE CB C 40.475 0.1 1 430 40 PHE N N 125.593 0.1 1 431 40 PHE CD1 C 130.941 0.1 1 432 40 PHE CD2 C 130.941 0.1 1 433 40 PHE CE1 C 130.80 0.1 1 434 40 PHE CE2 C 130.80 0.1 1 435 40 PHE HD1 H 6.560 0.02 1 436 40 PHE HD2 H 6.560 0.02 1 437 40 PHE HE1 H 6.360 0.02 1 438 40 PHE HE2 H 6.360 0.02 1 439 40 PHE CZ C 129.447 0.1 1 440 40 PHE HZ H 6.793 0.02 1 441 41 VAL H H 9.572 0.02 1 442 41 VAL HA H 4.892 0.02 1 443 41 VAL HB H 2.017 0.02 1 444 41 VAL HG1 H 0.750 0.02 1 445 41 VAL HG2 H 0.690 0.02 1 446 41 VAL C C 174.210 0.1 1 447 41 VAL CA C 58.977 0.1 1 448 41 VAL CB C 32.391 0.1 1 449 41 VAL CG1 C 24.284 0.1 1 450 41 VAL CG2 C 20.733 0.1 1 451 41 VAL N N 122.210 0.1 1 452 42 PRO HA H 4.636 0.02 1 453 42 PRO HB2 H 2.524 0.02 2 454 42 PRO HB3 H 1.980 0.02 2 455 42 PRO HG2 H 2.236 0.02 2 456 42 PRO HG3 H 2.176 0.02 2 457 42 PRO HD2 H 3.998 0.02 2 458 42 PRO HD3 H 4.269 0.02 2 459 42 PRO C C 177.423 0.1 1 460 42 PRO CA C 64.188 0.1 1 461 42 PRO CB C 33.055 0.1 1 462 42 PRO CG C 27.664 0.1 1 463 42 PRO CD C 52.088 0.1 1 464 43 GLY H H 8.826 0.02 1 465 43 GLY HA2 H 4.142 0.02 2 466 43 GLY HA3 H 3.935 0.02 2 467 43 GLY C C 175.026 0.1 1 468 43 GLY CA C 46.624 0.1 1 469 43 GLY N N 109.439 0.1 1 470 44 THR H H 7.497 0.02 1 471 44 THR HA H 4.713 0.02 1 472 44 THR HB H 4.365 0.02 1 473 44 THR HG2 H 1.101 0.02 1 474 44 THR C C 173.330 0.1 1 475 44 THR CA C 60.070 0.1 1 476 44 THR CB C 73.446 0.1 1 477 44 THR CG2 C 23.792 0.1 1 478 44 THR N N 107.233 0.1 1 479 45 LYS H H 8.801 0.02 1 480 45 LYS HA H 4.650 0.02 1 481 45 LYS HB2 H 1.833 0.02 2 482 45 LYS HB3 H 1.755 0.02 2 483 45 LYS HG2 H 1.523 0.02 2 484 45 LYS HG3 H 1.308 0.02 2 485 45 LYS HD2 H 1.702 0.02 2 486 45 LYS HD3 H 1.704 0.02 2 487 45 LYS HE2 H 3.037 0.02 2 488 45 LYS HE3 H 3.038 0.02 2 489 45 LYS C C 175.450 0.1 1 490 45 LYS CA C 54.223 0.1 1 491 45 LYS CB C 35.562 0.1 1 492 45 LYS CG C 24.193 0.1 1 493 45 LYS CD C 29.239 0.1 1 494 45 LYS CE C 42.264 0.1 1 495 45 LYS N N 119.110 0.1 1 496 46 VAL H H 8.229 0.02 1 497 46 VAL HA H 3.185 0.02 1 498 46 VAL HB H 1.870 0.02 1 499 46 VAL HG2 H 0.921 0.02 1 500 46 VAL HG1 H 0.888 0.02 1 501 46 VAL C C 177.579 0.1 1 502 46 VAL CA C 66.289 0.1 1 503 46 VAL CB C 31.057 0.1 1 504 46 VAL CG2 C 22.965 0.1 1 505 46 VAL CG1 C 21.471 0.1 1 506 46 VAL N N 119.518 0.1 1 507 47 GLY H H 8.892 0.02 1 508 47 GLY HA2 H 4.499 0.02 2 509 47 GLY HA3 H 3.574 0.02 2 510 47 GLY C C 174.614 0.1 1 511 47 GLY CA C 44.607 0.1 1 512 47 GLY N N 116.505 0.1 1 513 48 ASP H H 8.160 0.02 1 514 48 ASP HA H 4.528 0.02 1 515 48 ASP HB2 H 2.872 0.02 2 516 48 ASP HB3 H 2.489 0.02 2 517 48 ASP C C 175.072 0.1 1 518 48 ASP CA C 56.162 0.1 1 519 48 ASP CB C 41.239 0.1 1 520 48 ASP N N 122.408 0.1 1 521 49 GLU H H 8.561 0.02 1 522 49 GLU HA H 5.101 0.02 1 523 49 GLU HB2 H 1.993 0.02 2 524 49 GLU HB3 H 1.985 0.02 2 525 49 GLU HG2 H 2.370 0.02 2 526 49 GLU HG3 H 2.337 0.02 2 527 49 GLU C C 176.204 0.1 1 528 49 GLU CA C 55.760 0.1 1 529 49 GLU CB C 29.729 0.1 1 530 49 GLU CG C 36.249 0.1 1 531 49 GLU N N 124.622 0.1 1 532 50 VAL H H 8.516 0.02 1 533 50 VAL HA H 4.864 0.02 1 534 50 VAL HB H 2.115 0.02 1 535 50 VAL HG1 H 0.955 0.02 1 536 50 VAL HG2 H 0.761 0.02 1 537 50 VAL C C 173.198 0.1 1 538 50 VAL CA C 58.959 0.1 1 539 50 VAL CB C 36.189 0.1 1 540 50 VAL CG1 C 23.682 0.1 1 541 50 VAL CG2 C 19.828 0.1 1 542 50 VAL N N 117.128 0.1 1 543 51 ARG H H 8.683 0.02 1 544 51 ARG HA H 5.403 0.02 1 545 51 ARG HB2 H 1.807 0.02 2 546 51 ARG HB3 H 1.806 0.02 2 547 51 ARG HG2 H 1.514 0.02 2 548 51 ARG HG3 H 1.381 0.02 2 549 51 ARG HD2 H 3.097 0.02 2 550 51 ARG HD3 H 2.962 0.02 2 551 51 ARG C C 176.034 0.1 1 552 51 ARG CA C 55.140 0.1 1 553 51 ARG CB C 31.632 0.1 1 554 51 ARG CG C 27.900 0.1 1 555 51 ARG CD C 43.655 0.1 1 556 51 ARG N N 125.516 0.1 1 557 52 ILE H H 9.502 0.02 1 558 52 ILE HA H 5.510 0.02 1 559 52 ILE HB H 1.774 0.02 1 560 52 ILE HG12 H 1.193 0.02 2 561 52 ILE HG13 H 1.741 0.02 2 562 52 ILE HG2 H 0.756 0.02 1 563 52 ILE HD1 H 0.619 0.02 1 564 52 ILE C C 173.455 0.1 1 565 52 ILE CA C 58.396 0.1 1 566 52 ILE CB C 42.327 0.1 1 567 52 ILE CG1 C 25.599 0.1 1 568 52 ILE CG2 C 20.072 0.1 1 569 52 ILE CD1 C 15.199 0.1 1 570 52 ILE N N 119.205 0.1 1 571 53 LYS H H 9.047 0.02 1 572 53 LYS HA H 5.207 0.02 1 573 53 LYS HB2 H 1.823 0.02 2 574 53 LYS HB3 H 1.373 0.02 2 575 53 LYS HG2 H 1.118 0.02 2 576 53 LYS HG3 H 1.051 0.02 2 577 53 LYS HD2 H 1.600 0.02 2 578 53 LYS HD3 H 1.597 0.02 2 579 53 LYS HE2 H 2.892 0.02 1 580 53 LYS HE3 H 2.892 0.02 1 581 53 LYS C C 176.852 0.1 1 582 53 LYS CA C 54.103 0.1 1 583 53 LYS CB C 35.233 0.1 1 584 53 LYS CG C 24.605 0.1 1 585 53 LYS CD C 29.821 0.1 1 586 53 LYS CE C 41.972 0.1 1 587 53 LYS N N 121.810 0.1 1 588 54 VAL H H 8.923 0.02 1 589 54 VAL HA H 3.822 0.02 1 590 54 VAL HB H 2.525 0.02 1 591 54 VAL HG2 H 1.025 0.02 1 592 54 VAL HG1 H 0.794 0.02 1 593 54 VAL C C 176.022 0.1 1 594 54 VAL CA C 65.320 0.1 1 595 54 VAL CB C 31.153 0.1 1 596 54 VAL CG2 C 23.057 0.1 1 597 54 VAL CG1 C 23.167 0.1 1 598 54 VAL N N 127.121 0.1 1 599 55 GLU H H 9.492 0.02 1 600 55 GLU HA H 4.685 0.02 1 601 55 GLU HB2 H 2.202 0.02 2 602 55 GLU HB3 H 1.838 0.02 2 603 55 GLU HG2 H 2.456 0.02 2 604 55 GLU HG3 H 2.454 0.02 2 605 55 GLU C C 176.503 0.1 1 606 55 GLU CA C 57.393 0.1 1 607 55 GLU CB C 31.636 0.1 1 608 55 GLU CG C 35.370 0.1 1 609 55 GLU N N 130.614 0.1 1 610 56 ARG H H 7.724 0.02 1 611 56 ARG HA H 4.882 0.02 1 612 56 ARG HB2 H 1.950 0.02 2 613 56 ARG HB3 H 1.959 0.02 2 614 56 ARG HG2 H 1.724 0.02 2 615 56 ARG HG3 H 1.713 0.02 2 616 56 ARG HD2 H 3.258 0.02 2 617 56 ARG HD3 H 3.245 0.02 2 618 56 ARG C C 174.518 0.1 1 619 56 ARG CA C 55.696 0.1 1 620 56 ARG CB C 34.428 0.1 1 621 56 ARG CG C 27.607 0.1 1 622 56 ARG CD C 43.769 0.1 1 623 56 ARG N N 116.992 0.1 1 624 57 VAL H H 9.612 0.02 1 625 57 VAL HA H 4.303 0.02 1 626 57 VAL HB H 2.095 0.02 1 627 57 VAL HG1 H 0.979 0.02 1 628 57 VAL HG2 H 0.811 0.02 1 629 57 VAL C C 173.887 0.1 1 630 57 VAL CA C 63.728 0.1 1 631 57 VAL CB C 33.325 0.1 1 632 57 VAL CG1 C 22.822 0.1 1 633 57 VAL CG2 C 23.271 0.1 1 634 57 VAL N N 126.603 0.1 1 635 58 LEU H H 8.831 0.02 1 636 58 LEU HA H 4.887 0.02 1 637 58 LEU HB2 H 1.750 0.02 2 638 58 LEU HB3 H 1.364 0.02 2 639 58 LEU HG H 1.81 0.02 1 640 58 LEU HD1 H 1.087 0.02 1 641 58 LEU HD2 H 1.050 0.02 1 642 58 LEU C C 174.925 0.1 1 643 58 LEU CA C 53.723 0.1 1 644 58 LEU CB C 39.878 0.1 1 645 58 LEU CG C 29.60 0.1 1 646 58 LEU CD1 C 24.95 0.1 1 647 58 LEU CD2 C 24.90 0.1 1 648 58 LEU N N 134.105 0.1 1 649 59 PRO HA H 4.245 0.02 1 650 59 PRO HB2 H 2.417 0.02 2 651 59 PRO HB3 H 1.814 0.02 2 652 59 PRO HG2 H 2.157 0.02 2 653 59 PRO HG3 H 1.985 0.02 2 654 59 PRO HD2 H 3.738 0.02 2 655 59 PRO HD3 H 3.667 0.02 2 656 59 PRO C C 178.195 0.1 1 657 59 PRO CA C 66.650 0.1 1 658 59 PRO CB C 32.354 0.1 1 659 59 PRO CG C 28.481 0.1 1 660 59 PRO CD C 50.526 0.1 1 661 60 LYS H H 7.737 0.02 1 662 60 LYS HA H 4.525 0.02 1 663 60 LYS HB2 H 2.023 0.02 2 664 60 LYS HB3 H 1.537 0.02 2 665 60 LYS HG2 H 1.422 0.02 2 666 60 LYS HG3 H 1.343 0.02 2 667 60 LYS HD2 H 1.756 0.02 2 668 60 LYS HD3 H 1.696 0.02 2 669 60 LYS HE2 H 3.038 0.02 2 670 60 LYS HE3 H 3.047 0.02 2 671 60 LYS CA C 55.197 0.1 1 672 60 LYS CB C 33.991 0.1 1 673 60 LYS CG C 25.426 0.1 1 674 60 LYS CD C 28.734 0.1 1 675 60 LYS CE C 42.315 0.1 1 676 60 LYS N N 108.727 0.1 1 677 61 PHE H H 7.033 0.02 1 678 61 PHE HA H 4.182 0.02 1 679 61 PHE HB2 H 3.041 0.02 2 680 61 PHE HB3 H 2.475 0.02 2 681 61 PHE C C 172.709 0.1 1 682 61 PHE CA C 56.161 0.1 1 683 61 PHE CB C 39.810 0.1 1 684 61 PHE N N 116.106 0.1 1 685 61 PHE CD1 C 132.52 0.1 1 686 61 PHE CD2 C 132.52 0.1 1 687 61 PHE CE1 C 131.42 0.1 1 688 61 PHE CE2 C 131.42 0.1 1 689 61 PHE HD1 H 6.798 0.02 1 690 61 PHE HD2 H 6.798 0.02 1 691 61 PHE HE1 H 7.417 0.02 1 692 61 PHE HE2 H 7.417 0.02 1 693 61 PHE CZ C 129.45 0.1 1 694 61 PHE HZ H 7.443 0.02 1 695 62 ALA H H 8.617 0.02 1 696 62 ALA HA H 5.497 0.02 1 697 62 ALA HB H 1.673 0.02 1 698 62 ALA C C 174.766 0.1 1 699 62 ALA CA C 49.715 0.1 1 700 62 ALA CB C 24.985 0.1 1 701 62 ALA N N 118.022 0.1 1 702 63 PHE H H 9.112 0.02 1 703 63 PHE HA H 5.502 0.02 1 704 63 PHE HB2 H 3.491 0.02 2 705 63 PHE HB3 H 2.967 0.02 2 706 63 PHE C C 175.712 0.1 1 707 63 PHE CA C 57.706 0.1 1 708 63 PHE CB C 42.994 0.1 1 709 63 PHE N N 116.824 0.1 1 710 63 PHE CD1 C 131.75 0.1 1 711 63 PHE CD2 C 131.75 0.1 1 712 63 PHE HD1 H 7.400 0.02 1 713 63 PHE HD2 H 7.400 0.02 1 714 64 ALA H H 9.151 0.02 1 715 64 ALA HA H 5.405 0.02 1 716 64 ALA HB H 1.381 0.02 1 717 64 ALA C C 174.741 0.1 1 718 64 ALA CA C 50.918 0.1 1 719 64 ALA CB C 27.146 0.1 1 720 64 ALA N N 125.128 0.1 1 721 65 SER H H 8.783 0.02 1 722 65 SER HA H 5.100 0.02 1 723 65 SER HB2 H 3.918 0.02 2 724 65 SER HB3 H 3.880 0.02 2 725 65 SER C C 174.042 0.1 1 726 65 SER CA C 56.120 0.1 1 727 65 SER CB C 66.256 0.1 1 728 65 SER N N 112.640 0.1 1 729 66 VAL H H 8.722 0.02 1 730 66 VAL HA H 4.160 0.02 1 731 66 VAL HB H 2.009 0.02 1 732 66 VAL HG2 H 0.917 0.02 1 733 66 VAL HG1 H 0.943 0.02 1 734 66 VAL C C 176.993 0.1 1 735 66 VAL CA C 64.222 0.1 1 736 66 VAL CB C 32.773 0.1 1 737 66 VAL CG2 C 23.179 0.1 1 738 66 VAL CG1 C 21.621 0.1 1 739 66 VAL N N 121.818 0.1 1 740 67 VAL H H 9.143 0.02 1 741 67 VAL HA H 4.131 0.02 1 742 67 VAL HB H 1.847 0.02 1 743 67 VAL HG1 H 0.894 0.02 2 744 67 VAL HG2 H 0.852 0.02 2 745 67 VAL C C 175.425 0.1 1 746 67 VAL CA C 62.579 0.1 1 747 67 VAL CB C 33.054 0.1 1 748 67 VAL CG1 C 21.626 0.1 1 749 67 VAL CG2 C 21.626 0.1 1 750 67 VAL N N 129.216 0.1 1 751 68 GLU H H 8.358 0.02 1 752 68 GLU HA H 4.404 0.02 1 753 68 GLU HB2 H 2.063 0.02 2 754 68 GLU HB3 H 1.956 0.02 2 755 68 GLU HG2 H 2.272 0.02 1 756 68 GLU HG3 H 2.272 0.02 1 757 68 GLU C C 175.731 0.1 1 758 68 GLU CA C 56.330 0.1 1 759 68 GLU CB C 31.400 0.1 1 760 68 GLU N N 123.710 0.1 1 stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref-2 _Saveframe_category citation _PubMed_ID . _Citation_full ; Delaglio F., Grzesiek S., Vuister G.W., Zhu G., Pfeifer J., Bax A. J. Biomol. NMR. (1995) 6, 277-293. ; save_