data_7395 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of RWD/GI domain of Saccharomyces cerevisiae GCN2 ; _BMRB_accession_number 7395 _BMRB_flat_file_name bmr7395.str _Entry_type new _Submission_date 2007-06-29 _Accession_date 2007-08-30 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ogura K. . . 2 Torikai S. . . 3 Kumeta H. . . 4 Inagaki F. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 779 "13C chemical shifts" 424 "15N chemical shifts" 130 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-06-16 original BMRB . stop_ _Original_release_date 2015-06-16 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of RWD/GI domain of Saccharomyces cerevisiae GCN2 ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ogura K. . . 2 Torikai S. . . 3 Kumeta H. . . 4 Inagaki F. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RWD/GI domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RWD/GI domain' $Serine-threonine-protein_kinase_GCN2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Serine-threonine-protein_kinase_GCN2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Serine-threonine-protein_kinase_GCN2 _Molecular_mass . _Mol_thiol_state 'not known' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count . _Mol_residue_sequence ; MSLSHLTLDQYYEIQCNELE AIRSIYMDDFTDLTKRKSSW DKQPQIIFEITLRSVDKEPV ESSITLHFAMTPMYPYTAPE IEFKNVQNVMDSQLQMLKSE FKKIHNTSRGQEIIFEITSF TQEKLDEFQNVVNTQSLE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 LEU 4 SER 5 HIS 6 LEU 7 THR 8 LEU 9 ASP 10 GLN 11 TYR 12 TYR 13 GLU 14 ILE 15 GLN 16 CYS 17 ASN 18 GLU 19 LEU 20 GLU 21 ALA 22 ILE 23 ARG 24 SER 25 ILE 26 TYR 27 MET 28 ASP 29 ASP 30 PHE 31 THR 32 ASP 33 LEU 34 THR 35 LYS 36 ARG 37 LYS 38 SER 39 SER 40 TRP 41 ASP 42 LYS 43 GLN 44 PRO 45 GLN 46 ILE 47 ILE 48 PHE 49 GLU 50 ILE 51 THR 52 LEU 53 ARG 54 SER 55 VAL 56 ASP 57 LYS 58 GLU 59 PRO 60 VAL 61 GLU 62 SER 63 SER 64 ILE 65 THR 66 LEU 67 HIS 68 PHE 69 ALA 70 MET 71 THR 72 PRO 73 MET 74 TYR 75 PRO 76 TYR 77 THR 78 ALA 79 PRO 80 GLU 81 ILE 82 GLU 83 PHE 84 LYS 85 ASN 86 VAL 87 GLN 88 ASN 89 VAL 90 MET 91 ASP 92 SER 93 GLN 94 LEU 95 GLN 96 MET 97 LEU 98 LYS 99 SER 100 GLU 101 PHE 102 LYS 103 LYS 104 ILE 105 HIS 106 ASN 107 THR 108 SER 109 ARG 110 GLY 111 GLN 112 GLU 113 ILE 114 ILE 115 PHE 116 GLU 117 ILE 118 THR 119 SER 120 PHE 121 THR 122 GLN 123 GLU 124 LYS 125 LEU 126 ASP 127 GLU 128 PHE 129 GLN 130 ASN 131 VAL 132 VAL 133 ASN 134 THR 135 GLN 136 SER 137 LEU 138 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Serine-threonine-protein_kinase_GCN2 "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 $Serine-threonine-protein_kinase_GCN2 'recombinant technology' bacteria . . BL21 . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Saveframe_category sample _Sample_type solution _Details '1mM RWD/GI domain U-15N, 13C; 20mM phosphate buffer; 90% H2O, 10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Serine-threonine-protein_kinase_GCN2 1 mM '[U-15N; U-13C]' 'phosphate buffer' 20 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version . loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Task processing stop_ _Details . save_ save_DYANA _Saveframe_category software _Name DYANA _Version . loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_13C-separated_NOESY _Sample_label $sample save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_15N-separated_NOESY _Sample_label $sample save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . . temperature 298 . K stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 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) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 3D_13C-separated_NOESY 3D_15N-separated_NOESY stop_ loop_ _Sample_label $sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RWD/GI domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 7 7 THR H H 8.294 0.006 . 2 7 7 THR HA H 4.530 0.002 . 3 7 7 THR HB H 4.710 0.006 . 4 7 7 THR HG2 H 1.276 0.006 . 5 7 7 THR CA C 60.596 0.027 . 6 7 7 THR CB C 70.867 0.000 . 7 7 7 THR CG2 C 21.793 0.059 . 8 7 7 THR N N 109.667 0.023 . 9 8 8 LEU H H 8.869 0.006 . 10 8 8 LEU HA H 4.419 0.010 . 11 8 8 LEU HB2 H 1.685 0.006 . 12 8 8 LEU HB3 H 1.952 0.004 . 13 8 8 LEU HD1 H 0.980 0.005 . 14 8 8 LEU HD2 H 1.030 0.004 . 15 8 8 LEU HG H 1.948 0.005 . 16 8 8 LEU CA C 58.838 0.092 . 17 8 8 LEU CB C 41.146 0.068 . 18 8 8 LEU CD1 C 23.549 0.012 . 19 8 8 LEU CD2 C 25.486 0.031 . 20 8 8 LEU CG C 27.506 0.109 . 21 8 8 LEU N N 119.723 0.015 . 22 9 9 ASP H H 8.356 0.004 . 23 9 9 ASP HA H 4.434 0.007 . 24 9 9 ASP HB2 H 2.560 0.008 . 25 9 9 ASP HB3 H 2.715 0.010 . 26 9 9 ASP CA C 57.285 0.069 . 27 9 9 ASP CB C 40.155 0.080 . 28 9 9 ASP N N 117.973 0.015 . 29 10 10 GLN H H 7.698 0.006 . 30 10 10 GLN HA H 4.131 0.010 . 31 10 10 GLN HB2 H 1.135 0.005 . 32 10 10 GLN HB3 H 1.764 0.007 . 33 10 10 GLN HE21 H 6.645 0.009 . 34 10 10 GLN HE22 H 7.535 0.000 . 35 10 10 GLN HG2 H 2.330 0.006 . 36 10 10 GLN HG3 H 2.330 0.006 . 37 10 10 GLN CA C 58.863 0.086 . 38 10 10 GLN CB C 29.316 0.048 . 39 10 10 GLN CG C 35.218 0.000 . 40 10 10 GLN N N 120.883 0.009 . 41 11 11 TYR H H 8.349 0.008 . 42 11 11 TYR HA H 4.488 0.007 . 43 11 11 TYR HB2 H 3.023 0.007 . 44 11 11 TYR HB3 H 3.756 0.011 . 45 11 11 TYR HD1 H 7.099 0.007 . 46 11 11 TYR HD2 H 7.099 0.007 . 47 11 11 TYR HE1 H 6.673 0.008 . 48 11 11 TYR HE2 H 6.673 0.008 . 49 11 11 TYR CA C 62.829 0.062 . 50 11 11 TYR CB C 37.992 0.045 . 51 11 11 TYR CD1 C 133.043 0.045 . 52 11 11 TYR CE1 C 118.165 0.000 . 53 11 11 TYR N N 119.787 0.046 . 54 12 12 TYR H H 8.468 0.006 . 55 12 12 TYR HA H 4.084 0.007 . 56 12 12 TYR HB2 H 3.014 0.009 . 57 12 12 TYR HB3 H 3.339 0.008 . 58 12 12 TYR HD1 H 7.128 0.011 . 59 12 12 TYR HD2 H 7.128 0.011 . 60 12 12 TYR HE1 H 6.794 0.007 . 61 12 12 TYR HE2 H 6.794 0.007 . 62 12 12 TYR CA C 62.910 0.108 . 63 12 12 TYR CB C 38.067 0.056 . 64 12 12 TYR CD1 C 133.310 0.066 . 65 12 12 TYR CE1 C 118.332 0.109 . 66 12 12 TYR N N 120.282 0.037 . 67 13 13 GLU H H 7.832 0.005 . 68 13 13 GLU HA H 4.034 0.007 . 69 13 13 GLU HB2 H 2.202 0.006 . 70 13 13 GLU HB3 H 2.202 0.006 . 71 13 13 GLU HG2 H 2.297 0.004 . 72 13 13 GLU HG3 H 2.425 0.007 . 73 13 13 GLU CA C 59.862 0.138 . 74 13 13 GLU CB C 29.575 0.167 . 75 13 13 GLU CG C 36.071 0.073 . 76 13 13 GLU N N 118.580 0.021 . 77 14 14 ILE H H 7.601 0.011 . 78 14 14 ILE HA H 3.770 0.006 . 79 14 14 ILE HB H 2.406 0.007 . 80 14 14 ILE HD1 H 0.881 0.006 . 81 14 14 ILE HG12 H 1.132 0.007 . 82 14 14 ILE HG13 H 1.902 0.010 . 83 14 14 ILE HG2 H 1.035 0.002 . 84 14 14 ILE CA C 65.677 0.051 . 85 14 14 ILE CB C 38.215 0.140 . 86 14 14 ILE CD1 C 14.129 0.015 . 87 14 14 ILE CG1 C 29.336 0.056 . 88 14 14 ILE CG2 C 16.867 0.018 . 89 14 14 ILE N N 120.097 0.067 . 90 15 15 GLN H H 8.365 0.006 . 91 15 15 GLN HA H 3.906 0.009 . 92 15 15 GLN HB2 H 2.374 0.007 . 93 15 15 GLN HB3 H 2.374 0.007 . 94 15 15 GLN HE21 H 6.226 0.004 . 95 15 15 GLN HE22 H 7.880 0.006 . 96 15 15 GLN CA C 59.829 0.111 . 97 15 15 GLN N N 120.128 0.017 . 98 16 16 CYS H H 8.413 0.008 . 99 16 16 CYS HA H 3.831 0.009 . 100 16 16 CYS HB2 H 2.633 0.007 . 101 16 16 CYS HB3 H 2.978 0.007 . 102 16 16 CYS CA C 63.877 0.097 . 103 16 16 CYS CB C 27.236 0.115 . 104 16 16 CYS N N 116.179 0.020 . 105 17 17 ASN H H 8.201 0.007 . 106 17 17 ASN HA H 4.415 0.005 . 107 17 17 ASN HB2 H 2.765 0.005 . 108 17 17 ASN HB3 H 2.906 0.003 . 109 17 17 ASN HD21 H 6.988 0.004 . 110 17 17 ASN HD22 H 7.786 0.010 . 111 17 17 ASN CA C 55.907 0.124 . 112 17 17 ASN CB C 37.861 0.116 . 113 17 17 ASN N N 118.988 0.086 . 114 17 17 ASN ND2 N 112.699 0.021 . 115 18 18 GLU H H 8.489 0.007 . 116 18 18 GLU HA H 4.033 0.006 . 117 18 18 GLU HB2 H 2.073 0.008 . 118 18 18 GLU HB3 H 2.073 0.008 . 119 18 18 GLU HG2 H 2.718 0.007 . 120 18 18 GLU HG3 H 2.870 0.000 . 121 18 18 GLU CA C 59.751 0.140 . 122 18 18 GLU N N 124.574 0.006 . 123 19 19 LEU H H 8.209 0.006 . 124 19 19 LEU HA H 3.314 0.006 . 125 19 19 LEU HB2 H 1.371 0.011 . 126 19 19 LEU HB3 H 1.874 0.008 . 127 19 19 LEU HD1 H 0.393 0.006 . 128 19 19 LEU HD2 H 0.778 0.006 . 129 19 19 LEU HG H 1.352 0.008 . 130 19 19 LEU CA C 58.161 0.033 . 131 19 19 LEU CB C 41.937 0.057 . 132 19 19 LEU CD1 C 24.886 0.024 . 133 19 19 LEU CD2 C 25.102 0.043 . 134 19 19 LEU CG C 26.475 0.157 . 135 19 19 LEU N N 119.620 0.032 . 136 20 20 GLU H H 7.221 0.007 . 137 20 20 GLU HA H 3.798 0.007 . 138 20 20 GLU HB2 H 1.999 0.005 . 139 20 20 GLU HB3 H 1.999 0.005 . 140 20 20 GLU HG2 H 2.324 0.006 . 141 20 20 GLU HG3 H 2.324 0.006 . 142 20 20 GLU CA C 58.537 0.060 . 143 20 20 GLU CB C 28.935 0.031 . 144 20 20 GLU CG C 35.489 0.065 . 145 20 20 GLU N N 114.976 0.077 . 146 21 21 ALA H H 7.403 0.008 . 147 21 21 ALA HA H 4.015 0.008 . 148 21 21 ALA HB H 1.459 0.005 . 149 21 21 ALA CA C 54.972 0.054 . 150 21 21 ALA CB C 18.010 0.032 . 151 21 21 ALA N N 122.772 0.018 . 152 22 22 ILE H H 8.360 0.007 . 153 22 22 ILE HA H 3.769 0.005 . 154 22 22 ILE HB H 1.887 0.008 . 155 22 22 ILE HD1 H 0.776 0.005 . 156 22 22 ILE HG12 H 1.071 0.005 . 157 22 22 ILE HG13 H 1.717 0.009 . 158 22 22 ILE HG2 H 0.844 0.006 . 159 22 22 ILE CA C 61.686 0.095 . 160 22 22 ILE CB C 36.017 0.067 . 161 22 22 ILE CD1 C 9.971 0.008 . 162 22 22 ILE CG1 C 27.397 0.071 . 163 22 22 ILE CG2 C 19.252 0.036 . 164 22 22 ILE N N 119.327 0.029 . 165 23 23 ARG H H 8.189 0.011 . 166 23 23 ARG HA H 2.657 0.005 . 167 23 23 ARG HB2 H 0.903 0.009 . 168 23 23 ARG HB3 H 1.265 0.010 . 169 23 23 ARG HD2 H 3.078 0.009 . 170 23 23 ARG HD3 H 3.078 0.009 . 171 23 23 ARG HG2 H 1.235 0.008 . 172 23 23 ARG HG3 H 1.333 0.005 . 173 23 23 ARG CA C 59.327 0.062 . 174 23 23 ARG CB C 29.696 0.051 . 175 23 23 ARG CD C 43.553 0.024 . 176 23 23 ARG CG C 25.923 0.126 . 177 23 23 ARG N N 122.438 0.055 . 178 24 24 SER H H 7.203 0.013 . 179 24 24 SER HA H 4.116 0.007 . 180 24 24 SER HB2 H 3.840 0.009 . 181 24 24 SER HB3 H 3.895 0.004 . 182 24 24 SER CA C 61.071 0.058 . 183 24 24 SER CB C 63.227 0.051 . 184 24 24 SER N N 112.079 0.025 . 185 25 25 ILE H H 7.221 0.007 . 186 25 25 ILE HA H 3.669 0.007 . 187 25 25 ILE HB H 1.471 0.005 . 188 25 25 ILE HD1 H 0.428 0.003 . 189 25 25 ILE HG12 H 0.787 0.007 . 190 25 25 ILE HG13 H 1.508 0.005 . 191 25 25 ILE HG2 H 0.073 0.005 . 192 25 25 ILE CA C 63.700 0.058 . 193 25 25 ILE CB C 39.237 0.052 . 194 25 25 ILE CD1 C 13.048 0.027 . 195 25 25 ILE CG1 C 28.109 0.029 . 196 25 25 ILE CG2 C 16.407 0.061 . 197 25 25 ILE N N 119.750 0.000 . 198 26 26 TYR H H 7.805 0.011 . 199 26 26 TYR HA H 4.478 0.006 . 200 26 26 TYR HB2 H 3.146 0.009 . 201 26 26 TYR HB3 H 3.146 0.009 . 202 26 26 TYR HD1 H 7.373 0.006 . 203 26 26 TYR HD2 H 7.373 0.006 . 204 26 26 TYR HE1 H 6.859 0.009 . 205 26 26 TYR HE2 H 6.859 0.009 . 206 26 26 TYR CA C 61.419 0.098 . 207 26 26 TYR CB C 39.914 0.124 . 208 26 26 TYR CD1 C 133.037 0.043 . 209 26 26 TYR CE1 C 118.164 0.005 . 210 26 26 TYR N N 114.466 0.056 . 211 27 27 MET H H 8.232 0.006 . 212 27 27 MET HA H 4.105 0.008 . 213 27 27 MET HB2 H 2.116 0.005 . 214 27 27 MET HB3 H 2.294 0.004 . 215 27 27 MET HE H 2.100 0.004 . 216 27 27 MET HG2 H 2.506 0.007 . 217 27 27 MET HG3 H 2.506 0.007 . 218 27 27 MET CA C 57.855 0.036 . 219 27 27 MET CB C 31.133 0.094 . 220 27 27 MET CE C 16.702 0.006 . 221 27 27 MET CG C 32.155 0.079 . 222 27 27 MET N N 118.599 0.034 . 223 28 28 ASP H H 8.559 0.003 . 224 28 28 ASP HA H 4.672 0.005 . 225 28 28 ASP HB2 H 2.729 0.003 . 226 28 28 ASP HB3 H 2.880 0.003 . 227 28 28 ASP CA C 56.915 0.029 . 228 28 28 ASP CB C 40.344 0.126 . 229 28 28 ASP N N 121.211 0.021 . 230 29 29 ASP H H 8.444 0.010 . 231 29 29 ASP HA H 4.979 0.007 . 232 29 29 ASP HB2 H 2.869 0.009 . 233 29 29 ASP HB3 H 3.773 0.008 . 234 29 29 ASP CA C 55.397 0.090 . 235 29 29 ASP CB C 41.737 0.121 . 236 29 29 ASP N N 117.887 0.014 . 237 30 30 PHE H H 8.067 0.010 . 238 30 30 PHE HA H 5.497 0.007 . 239 30 30 PHE HB2 H 2.802 0.011 . 240 30 30 PHE HB3 H 3.469 0.008 . 241 30 30 PHE HD1 H 7.110 0.010 . 242 30 30 PHE HD2 H 7.110 0.010 . 243 30 30 PHE HE1 H 6.897 0.002 . 244 30 30 PHE HE2 H 6.897 0.002 . 245 30 30 PHE CA C 56.226 0.034 . 246 30 30 PHE CB C 41.927 0.089 . 247 30 30 PHE N N 123.670 0.023 . 248 31 31 THR H H 8.472 0.010 . 249 31 31 THR HA H 4.217 0.005 . 250 31 31 THR HB H 3.660 0.007 . 251 31 31 THR HG2 H 1.012 0.007 . 252 31 31 THR CA C 61.377 0.113 . 253 31 31 THR CB C 72.029 0.052 . 254 31 31 THR CG2 C 21.369 0.084 . 255 31 31 THR N N 123.205 0.010 . 256 32 32 ASP H H 8.801 0.006 . 257 32 32 ASP HA H 4.568 0.006 . 258 32 32 ASP HB2 H 2.751 0.006 . 259 32 32 ASP HB3 H 2.948 0.006 . 260 32 32 ASP CA C 53.882 0.082 . 261 32 32 ASP CB C 41.132 0.099 . 262 32 32 ASP N N 126.596 0.023 . 263 33 33 LEU H H 9.180 0.008 . 264 33 33 LEU HA H 4.489 0.006 . 265 33 33 LEU HB2 H 1.098 0.009 . 266 33 33 LEU HB3 H 1.098 0.009 . 267 33 33 LEU HD1 H 0.763 0.009 . 268 33 33 LEU HD2 H 0.709 0.003 . 269 33 33 LEU HG H 1.344 0.004 . 270 33 33 LEU CA C 54.124 0.028 . 271 33 33 LEU CB C 41.876 0.093 . 272 33 33 LEU CD1 C 23.229 0.032 . 273 33 33 LEU CD2 C 25.962 0.045 . 274 33 33 LEU CG C 27.370 0.099 . 275 33 33 LEU N N 129.301 0.052 . 276 34 34 THR H H 8.525 0.005 . 277 34 34 THR HA H 3.895 0.006 . 278 34 34 THR HB H 4.043 0.007 . 279 34 34 THR HG2 H 1.351 0.005 . 280 34 34 THR CA C 65.408 0.071 . 281 34 34 THR CB C 69.339 0.039 . 282 34 34 THR CG2 C 20.500 0.045 . 283 34 34 THR N N 123.682 0.029 . 284 35 35 LYS H H 9.018 0.007 . 285 35 35 LYS HA H 4.233 0.008 . 286 35 35 LYS HB2 H 1.699 0.004 . 287 35 35 LYS HB3 H 1.853 0.005 . 288 35 35 LYS HD2 H 1.729 0.009 . 289 35 35 LYS HD3 H 1.729 0.009 . 290 35 35 LYS HE2 H 3.044 0.007 . 291 35 35 LYS HE3 H 3.044 0.007 . 292 35 35 LYS HG2 H 1.522 0.006 . 293 35 35 LYS HG3 H 1.597 0.003 . 294 35 35 LYS CA C 56.290 0.041 . 295 35 35 LYS CB C 33.130 0.054 . 296 35 35 LYS CD C 29.093 0.095 . 297 35 35 LYS CE C 42.221 0.099 . 298 35 35 LYS CG C 24.970 0.051 . 299 35 35 LYS N N 129.153 0.017 . 300 36 36 ARG H H 8.191 0.009 . 301 36 36 ARG HA H 4.203 0.007 . 302 36 36 ARG HB2 H 1.711 0.010 . 303 36 36 ARG HB3 H 1.826 0.002 . 304 36 36 ARG HD2 H 3.198 0.005 . 305 36 36 ARG HD3 H 3.198 0.005 . 306 36 36 ARG HG2 H 1.703 0.004 . 307 36 36 ARG HG3 H 1.823 0.005 . 308 36 36 ARG CA C 56.215 0.081 . 309 36 36 ARG CB C 30.559 0.059 . 310 36 36 ARG CD C 43.335 0.075 . 311 36 36 ARG CG C 27.461 0.022 . 312 36 36 ARG N N 119.979 0.008 . 313 37 37 LYS H H 8.710 0.004 . 314 37 37 LYS HA H 4.145 0.007 . 315 37 37 LYS HB2 H 1.762 0.005 . 316 37 37 LYS HB3 H 1.762 0.005 . 317 37 37 LYS HE2 H 3.084 0.005 . 318 37 37 LYS HE3 H 3.084 0.005 . 319 37 37 LYS HG2 H 1.356 0.005 . 320 37 37 LYS HG3 H 1.561 0.008 . 321 37 37 LYS CA C 57.440 0.032 . 322 37 37 LYS CB C 33.223 0.007 . 323 37 37 LYS CE C 41.913 0.082 . 324 37 37 LYS CG C 25.066 0.056 . 325 37 37 LYS N N 123.050 0.000 . 326 38 38 SER H H 7.956 0.006 . 327 38 38 SER HA H 4.546 0.010 . 328 38 38 SER HB2 H 3.514 0.004 . 329 38 38 SER HB3 H 3.593 0.007 . 330 38 38 SER CA C 56.897 0.032 . 331 38 38 SER CB C 66.007 0.014 . 332 38 38 SER N N 115.812 0.018 . 333 39 39 SER HA H 4.029 0.004 . 334 39 39 SER HB2 H 3.630 0.003 . 335 39 39 SER HB3 H 3.664 0.003 . 336 39 39 SER CA C 60.630 0.066 . 337 39 39 SER CB C 62.627 0.031 . 338 40 40 TRP H H 7.360 0.004 . 339 40 40 TRP HA H 4.671 0.004 . 340 40 40 TRP HB2 H 3.201 0.003 . 341 40 40 TRP HB3 H 3.282 0.003 . 342 40 40 TRP HD1 H 7.205 0.003 . 343 40 40 TRP HE1 H 10.166 0.002 . 344 40 40 TRP HE3 H 7.615 0.005 . 345 40 40 TRP HH2 H 7.228 0.005 . 346 40 40 TRP HZ2 H 7.495 0.002 . 347 40 40 TRP CA C 57.051 0.094 . 348 40 40 TRP CB C 29.260 0.036 . 349 40 40 TRP CD1 C 127.048 0.030 . 350 40 40 TRP CE3 C 120.787 0.000 . 351 40 40 TRP CH2 C 124.724 0.006 . 352 40 40 TRP CZ2 C 114.686 0.028 . 353 40 40 TRP N N 117.720 0.000 . 354 41 41 ASP H H 7.203 0.005 . 355 41 41 ASP HA H 4.568 0.007 . 356 41 41 ASP HB2 H 2.187 0.006 . 357 41 41 ASP HB3 H 2.615 0.006 . 358 41 41 ASP CA C 53.451 0.069 . 359 41 41 ASP CB C 40.249 0.098 . 360 41 41 ASP N N 121.932 0.007 . 361 42 42 LYS H H 8.274 0.008 . 362 42 42 LYS HA H 4.147 0.007 . 363 42 42 LYS HB2 H 1.694 0.007 . 364 42 42 LYS HB3 H 1.853 0.005 . 365 42 42 LYS HD2 H 1.617 0.008 . 366 42 42 LYS HD3 H 1.643 0.006 . 367 42 42 LYS HE2 H 2.959 0.005 . 368 42 42 LYS HE3 H 2.959 0.005 . 369 42 42 LYS HG2 H 1.399 0.009 . 370 42 42 LYS HG3 H 1.428 0.010 . 371 42 42 LYS CA C 57.352 0.074 . 372 42 42 LYS CB C 33.145 0.052 . 373 42 42 LYS CD C 29.153 0.055 . 374 42 42 LYS CE C 42.091 0.052 . 375 42 42 LYS CG C 25.140 0.129 . 376 42 42 LYS N N 122.734 0.021 . 377 43 43 GLN H H 8.199 0.009 . 378 43 43 GLN HA H 4.164 0.004 . 379 43 43 GLN HB2 H 0.732 0.005 . 380 43 43 GLN HB3 H 1.356 0.006 . 381 43 43 GLN HE21 H 6.625 0.008 . 382 43 43 GLN HE22 H 7.195 0.005 . 383 43 43 GLN HG2 H 1.555 0.004 . 384 43 43 GLN HG3 H 1.555 0.004 . 385 43 43 GLN CA C 52.978 0.072 . 386 43 43 GLN CB C 28.589 0.075 . 387 43 43 GLN CG C 33.616 0.027 . 388 43 43 GLN N N 117.887 0.029 . 389 43 43 GLN NE2 N 110.205 0.009 . 390 44 44 PRO HA H 4.355 0.005 . 391 44 44 PRO HB2 H 1.894 0.008 . 392 44 44 PRO HB3 H 1.894 0.008 . 393 44 44 PRO HD2 H 3.146 0.007 . 394 44 44 PRO HD3 H 3.422 0.009 . 395 44 44 PRO HG2 H 1.732 0.007 . 396 44 44 PRO HG3 H 1.732 0.007 . 397 44 44 PRO CA C 62.546 0.056 . 398 44 44 PRO CB C 32.470 0.000 . 399 44 44 PRO CD C 50.357 0.075 . 400 44 44 PRO CG C 27.504 0.041 . 401 45 45 GLN H H 8.302 0.005 . 402 45 45 GLN HA H 4.050 0.009 . 403 45 45 GLN HB2 H 1.960 0.011 . 404 45 45 GLN HB3 H 1.960 0.011 . 405 45 45 GLN HE21 H 6.980 0.007 . 406 45 45 GLN HE22 H 7.301 0.010 . 407 45 45 GLN HG2 H 2.565 0.007 . 408 45 45 GLN HG3 H 2.565 0.007 . 409 45 45 GLN CA C 56.762 0.066 . 410 45 45 GLN CG C 33.013 0.035 . 411 45 45 GLN N N 122.362 0.014 . 412 46 46 ILE H H 8.564 0.007 . 413 46 46 ILE HA H 4.584 0.006 . 414 46 46 ILE HB H 1.624 0.006 . 415 46 46 ILE HD1 H 0.731 0.006 . 416 46 46 ILE HG12 H 1.313 0.010 . 417 46 46 ILE HG13 H 1.794 0.010 . 418 46 46 ILE HG2 H 0.954 0.005 . 419 46 46 ILE CA C 61.697 0.069 . 420 46 46 ILE CB C 37.458 0.054 . 421 46 46 ILE CD1 C 13.748 0.106 . 422 46 46 ILE CG1 C 28.597 0.098 . 423 46 46 ILE CG2 C 19.341 0.041 . 424 46 46 ILE N N 129.662 0.021 . 425 47 47 ILE H H 7.952 0.008 . 426 47 47 ILE HA H 5.006 0.006 . 427 47 47 ILE HB H 1.220 0.008 . 428 47 47 ILE HD1 H 0.815 0.004 . 429 47 47 ILE HG12 H 1.344 0.003 . 430 47 47 ILE HG13 H 1.625 0.009 . 431 47 47 ILE HG2 H 0.584 0.004 . 432 47 47 ILE CA C 59.336 0.041 . 433 47 47 ILE CB C 42.297 0.075 . 434 47 47 ILE CD1 C 13.762 0.009 . 435 47 47 ILE CG1 C 27.388 0.097 . 436 47 47 ILE CG2 C 18.073 0.033 . 437 47 47 ILE N N 129.623 0.032 . 438 48 48 PHE H H 8.463 0.002 . 439 48 48 PHE HA H 5.011 0.008 . 440 48 48 PHE HB2 H 2.654 0.009 . 441 48 48 PHE HB3 H 3.244 0.005 . 442 48 48 PHE HD1 H 6.702 0.010 . 443 48 48 PHE HD2 H 6.702 0.010 . 444 48 48 PHE HE1 H 6.613 0.006 . 445 48 48 PHE HE2 H 6.613 0.006 . 446 48 48 PHE HZ H 6.303 0.010 . 447 48 48 PHE CA C 55.982 0.088 . 448 48 48 PHE CB C 40.593 0.006 . 449 48 48 PHE CD1 C 132.779 0.066 . 450 48 48 PHE CE1 C 130.411 0.117 . 451 48 48 PHE CZ C 127.858 0.068 . 452 48 48 PHE N N 119.246 0.039 . 453 49 49 GLU H H 8.919 0.007 . 454 49 49 GLU HA H 5.675 0.005 . 455 49 49 GLU HB2 H 1.681 0.010 . 456 49 49 GLU HB3 H 1.681 0.010 . 457 49 49 GLU HG2 H 2.096 0.007 . 458 49 49 GLU HG3 H 2.096 0.007 . 459 49 49 GLU CA C 53.178 0.013 . 460 49 49 GLU CB C 33.672 0.128 . 461 49 49 GLU CG C 37.015 0.000 . 462 49 49 GLU N N 117.767 0.035 . 463 50 50 ILE H H 8.634 0.007 . 464 50 50 ILE HA H 5.124 0.007 . 465 50 50 ILE HB H 1.568 0.006 . 466 50 50 ILE HD1 H 0.864 0.004 . 467 50 50 ILE HG12 H 1.208 0.007 . 468 50 50 ILE HG13 H 1.743 0.008 . 469 50 50 ILE HG2 H 0.289 0.006 . 470 50 50 ILE CA C 59.775 0.053 . 471 50 50 ILE CB C 43.015 0.060 . 472 50 50 ILE CD1 C 15.052 0.085 . 473 50 50 ILE CG1 C 28.617 0.134 . 474 50 50 ILE CG2 C 16.790 0.024 . 475 50 50 ILE N N 119.083 0.035 . 476 51 51 THR H H 8.663 0.007 . 477 51 51 THR HA H 4.944 0.006 . 478 51 51 THR HB H 3.916 0.006 . 479 51 51 THR HG2 H 1.055 0.006 . 480 51 51 THR CA C 63.069 0.064 . 481 51 51 THR CB C 70.289 0.090 . 482 51 51 THR CG2 C 21.242 0.049 . 483 51 51 THR N N 125.541 0.036 . 484 52 52 LEU H H 8.761 0.009 . 485 52 52 LEU HA H 4.801 0.007 . 486 52 52 LEU HB2 H 1.267 0.008 . 487 52 52 LEU HB3 H 1.486 0.007 . 488 52 52 LEU HD1 H 0.889 0.007 . 489 52 52 LEU HD2 H 0.841 0.006 . 490 52 52 LEU HG H 1.488 0.008 . 491 52 52 LEU CA C 53.191 0.017 . 492 52 52 LEU CB C 46.188 0.020 . 493 52 52 LEU CD1 C 24.303 0.065 . 494 52 52 LEU CD2 C 27.469 0.057 . 495 52 52 LEU CG C 27.097 0.138 . 496 52 52 LEU N N 125.483 0.015 . 497 53 53 ARG H H 9.186 0.008 . 498 53 53 ARG HA H 5.158 0.010 . 499 53 53 ARG HB2 H 1.518 0.005 . 500 53 53 ARG HB3 H 1.692 0.010 . 501 53 53 ARG HD2 H 3.127 0.003 . 502 53 53 ARG HD3 H 3.316 0.005 . 503 53 53 ARG HE H 7.351 0.010 . 504 53 53 ARG HG2 H 1.322 0.006 . 505 53 53 ARG HG3 H 1.510 0.009 . 506 53 53 ARG CA C 53.649 0.063 . 507 53 53 ARG CB C 33.756 0.031 . 508 53 53 ARG CD C 42.384 0.028 . 509 53 53 ARG CG C 26.775 0.081 . 510 53 53 ARG N N 118.915 0.058 . 511 53 53 ARG NE N 111.050 0.016 . 512 54 54 SER H H 9.186 0.009 . 513 54 54 SER HA H 4.251 0.012 . 514 54 54 SER HB2 H 3.852 0.006 . 515 54 54 SER HB3 H 4.488 0.014 . 516 54 54 SER CA C 57.999 0.067 . 517 54 54 SER CB C 63.751 0.073 . 518 54 54 SER N N 118.872 0.047 . 519 55 55 VAL H H 9.326 0.007 . 520 55 55 VAL HA H 3.743 0.005 . 521 55 55 VAL HB H 2.053 0.008 . 522 55 55 VAL HG1 H 0.952 0.008 . 523 55 55 VAL HG2 H 1.081 0.005 . 524 55 55 VAL CA C 65.658 0.019 . 525 55 55 VAL CB C 31.789 0.101 . 526 55 55 VAL CG1 C 20.724 0.022 . 527 55 55 VAL CG2 C 22.379 0.016 . 528 55 55 VAL N N 124.300 0.000 . 529 56 56 ASP H H 8.545 0.008 . 530 56 56 ASP HA H 4.770 0.004 . 531 56 56 ASP HB2 H 2.558 0.007 . 532 56 56 ASP HB3 H 2.718 0.007 . 533 56 56 ASP CA C 54.277 0.074 . 534 56 56 ASP CB C 41.330 0.088 . 535 56 56 ASP N N 119.545 0.012 . 536 57 57 LYS H H 8.426 0.010 . 537 57 57 LYS HA H 4.268 0.007 . 538 57 57 LYS HB2 H 1.613 0.006 . 539 57 57 LYS HB3 H 1.953 0.004 . 540 57 57 LYS HD2 H 1.517 0.006 . 541 57 57 LYS HD3 H 1.560 0.007 . 542 57 57 LYS HE2 H 2.991 0.007 . 543 57 57 LYS HE3 H 2.991 0.007 . 544 57 57 LYS HG2 H 1.354 0.004 . 545 57 57 LYS HG3 H 1.395 0.008 . 546 57 57 LYS CA C 54.447 0.033 . 547 57 57 LYS CB C 33.548 0.103 . 548 57 57 LYS CD C 28.664 0.061 . 549 57 57 LYS CE C 42.577 0.019 . 550 57 57 LYS CG C 24.760 0.156 . 551 57 57 LYS N N 117.382 0.041 . 552 58 58 GLU H H 7.379 0.006 . 553 58 58 GLU HA H 4.541 0.009 . 554 58 58 GLU HB2 H 1.820 0.006 . 555 58 58 GLU HB3 H 1.936 0.001 . 556 58 58 GLU HG2 H 2.116 0.008 . 557 58 58 GLU HG3 H 2.116 0.008 . 558 58 58 GLU CA C 52.511 0.028 . 559 58 58 GLU CB C 31.326 0.112 . 560 58 58 GLU CG C 35.570 0.030 . 561 58 58 GLU N N 116.871 0.006 . 562 59 59 PRO HA H 4.630 0.008 . 563 59 59 PRO HB2 H 2.135 0.006 . 564 59 59 PRO HB3 H 2.439 0.004 . 565 59 59 PRO HD2 H 3.559 0.003 . 566 59 59 PRO HD3 H 3.738 0.005 . 567 59 59 PRO HG2 H 1.875 0.008 . 568 59 59 PRO HG3 H 2.067 0.007 . 569 59 59 PRO CA C 64.510 0.084 . 570 59 59 PRO CB C 34.158 0.047 . 571 59 59 PRO CD C 49.905 0.054 . 572 59 59 PRO CG C 25.074 0.103 . 573 60 60 VAL H H 6.790 0.008 . 574 60 60 VAL HA H 4.409 0.006 . 575 60 60 VAL HB H 2.070 0.009 . 576 60 60 VAL HG1 H 0.861 0.004 . 577 60 60 VAL HG2 H 0.660 0.009 . 578 60 60 VAL CA C 58.854 0.017 . 579 60 60 VAL CB C 36.032 0.105 . 580 60 60 VAL CG1 C 21.908 0.009 . 581 60 60 VAL CG2 C 18.728 0.032 . 582 60 60 VAL N N 112.600 0.024 . 583 61 61 GLU H H 8.438 0.008 . 584 61 61 GLU HA H 4.520 0.007 . 585 61 61 GLU HG2 H 2.024 0.009 . 586 61 61 GLU HG3 H 2.117 0.007 . 587 61 61 GLU CA C 54.730 0.133 . 588 61 61 GLU CG C 37.393 0.062 . 589 61 61 GLU N N 121.370 0.023 . 590 62 62 SER H H 8.451 0.005 . 591 62 62 SER HA H 5.221 0.007 . 592 62 62 SER HB2 H 3.511 0.008 . 593 62 62 SER HB3 H 3.898 0.008 . 594 62 62 SER CA C 58.245 0.084 . 595 62 62 SER CB C 65.233 0.153 . 596 62 62 SER N N 125.216 0.026 . 597 63 63 SER H H 9.196 0.004 . 598 63 63 SER HA H 5.246 0.007 . 599 63 63 SER HB2 H 3.687 0.006 . 600 63 63 SER HB3 H 3.853 0.005 . 601 63 63 SER CA C 57.535 0.085 . 602 63 63 SER CB C 65.620 0.081 . 603 63 63 SER N N 117.460 0.016 . 604 64 64 ILE H H 8.609 0.009 . 605 64 64 ILE HA H 4.308 0.008 . 606 64 64 ILE HB H 1.524 0.004 . 607 64 64 ILE HD1 H 0.583 0.007 . 608 64 64 ILE HG12 H 0.986 0.007 . 609 64 64 ILE HG13 H 1.630 0.006 . 610 64 64 ILE HG2 H 0.890 0.008 . 611 64 64 ILE CA C 61.705 0.056 . 612 64 64 ILE CB C 44.901 0.010 . 613 64 64 ILE CD1 C 15.401 0.129 . 614 64 64 ILE CG1 C 28.497 0.146 . 615 64 64 ILE CG2 C 17.961 0.033 . 616 64 64 ILE N N 119.573 0.028 . 617 65 65 THR H H 8.373 0.008 . 618 65 65 THR HA H 5.133 0.007 . 619 65 65 THR HB H 3.768 0.006 . 620 65 65 THR HG2 H 0.911 0.010 . 621 65 65 THR CA C 61.942 0.086 . 622 65 65 THR CB C 69.382 0.080 . 623 65 65 THR CG2 C 21.129 0.042 . 624 65 65 THR N N 120.636 0.015 . 625 66 66 LEU H H 9.207 0.005 . 626 66 66 LEU HA H 4.373 0.009 . 627 66 66 LEU HB2 H 0.567 0.006 . 628 66 66 LEU HB3 H 1.727 0.008 . 629 66 66 LEU HD1 H 0.827 0.004 . 630 66 66 LEU HD2 H 0.934 0.004 . 631 66 66 LEU HG H 1.644 0.006 . 632 66 66 LEU CA C 53.745 0.117 . 633 66 66 LEU CB C 44.207 0.068 . 634 66 66 LEU CD1 C 24.424 0.037 . 635 66 66 LEU CD2 C 26.699 0.047 . 636 66 66 LEU CG C 27.606 0.130 . 637 66 66 LEU N N 127.837 0.033 . 638 67 67 HIS H H 8.813 0.005 . 639 67 67 HIS HA H 4.825 0.010 . 640 67 67 HIS HB2 H 2.371 0.007 . 641 67 67 HIS HB3 H 3.089 0.000 . 642 67 67 HIS HD2 H 7.199 0.007 . 643 67 67 HIS HE1 H 8.168 0.007 . 644 67 67 HIS CA C 54.636 0.106 . 645 67 67 HIS CB C 29.333 0.086 . 646 67 67 HIS CD2 C 120.406 0.000 . 647 67 67 HIS CE1 C 136.188 0.033 . 648 67 67 HIS N N 123.357 0.041 . 649 68 68 PHE H H 8.877 0.009 . 650 68 68 PHE HA H 4.697 0.008 . 651 68 68 PHE HB2 H 1.058 0.011 . 652 68 68 PHE HB3 H 1.663 0.010 . 653 68 68 PHE HD1 H 6.458 0.008 . 654 68 68 PHE HD2 H 6.458 0.008 . 655 68 68 PHE HE1 H 6.810 0.010 . 656 68 68 PHE HE2 H 6.810 0.010 . 657 68 68 PHE CA C 56.216 0.045 . 658 68 68 PHE CB C 41.841 0.095 . 659 68 68 PHE CD1 C 133.042 0.144 . 660 68 68 PHE CE1 C 130.159 0.075 . 661 68 68 PHE N N 125.715 0.018 . 662 69 69 ALA H H 8.632 0.007 . 663 69 69 ALA HA H 4.928 0.007 . 664 69 69 ALA HB H 1.216 0.005 . 665 69 69 ALA CA C 50.490 0.049 . 666 69 69 ALA CB C 21.112 0.039 . 667 69 69 ALA N N 121.342 0.017 . 668 70 70 MET H H 8.932 0.006 . 669 70 70 MET HA H 3.948 0.007 . 670 70 70 MET HB2 H 1.731 0.008 . 671 70 70 MET HB3 H 2.315 0.010 . 672 70 70 MET HE H 1.587 0.005 . 673 70 70 MET HG2 H 2.192 0.010 . 674 70 70 MET HG3 H 2.332 0.011 . 675 70 70 MET CA C 56.401 0.078 . 676 70 70 MET CB C 32.538 0.070 . 677 70 70 MET CE C 18.578 0.017 . 678 70 70 MET CG C 34.207 0.064 . 679 70 70 MET N N 121.418 0.038 . 680 71 71 THR H H 6.313 0.009 . 681 71 71 THR HA H 4.577 0.009 . 682 71 71 THR HB H 4.541 0.011 . 683 71 71 THR HG2 H 1.446 0.007 . 684 71 71 THR CA C 58.038 0.033 . 685 71 71 THR CB C 68.707 0.076 . 686 71 71 THR CG2 C 23.013 0.052 . 687 71 71 THR N N 111.883 0.034 . 688 72 72 PRO HA H 4.315 0.004 . 689 72 72 PRO HB2 H 1.882 0.003 . 690 72 72 PRO HB3 H 2.463 0.011 . 691 72 72 PRO HD2 H 3.778 0.008 . 692 72 72 PRO HD3 H 3.778 0.008 . 693 72 72 PRO HG2 H 2.136 0.009 . 694 72 72 PRO HG3 H 2.136 0.009 . 695 72 72 PRO CA C 66.541 0.104 . 696 72 72 PRO CB C 32.385 0.033 . 697 72 72 PRO CD C 50.068 0.051 . 698 72 72 PRO CG C 27.685 0.056 . 699 73 73 MET H H 7.637 0.004 . 700 73 73 MET HA H 3.825 0.008 . 701 73 73 MET HB2 H 1.744 0.010 . 702 73 73 MET HB3 H 2.019 0.001 . 703 73 73 MET HE H 2.062 0.010 . 704 73 73 MET HG2 H 2.133 0.010 . 705 73 73 MET HG3 H 2.324 0.010 . 706 73 73 MET CA C 53.206 0.053 . 707 73 73 MET CB C 31.283 0.000 . 708 73 73 MET CE C 17.150 0.085 . 709 73 73 MET CG C 32.726 0.102 . 710 73 73 MET N N 107.550 0.014 . 711 74 74 TYR H H 7.453 0.008 . 712 74 74 TYR HA H 4.919 0.006 . 713 74 74 TYR HB2 H 2.785 0.009 . 714 74 74 TYR HB3 H 3.073 0.009 . 715 74 74 TYR HD1 H 7.080 0.000 . 716 74 74 TYR HD2 H 7.230 0.000 . 717 74 74 TYR HE1 H 7.210 0.000 . 718 74 74 TYR HE2 H 6.620 0.000 . 719 74 74 TYR CA C 56.946 0.062 . 720 74 74 TYR CB C 37.340 0.137 . 721 74 74 TYR CD1 C 133.118 0.094 . 722 74 74 TYR CE2 C 118.330 0.000 . 723 74 74 TYR N N 124.900 0.052 . 724 75 75 PRO HA H 3.686 0.008 . 725 75 75 PRO HB2 H 1.050 0.008 . 726 75 75 PRO HB3 H 1.659 0.010 . 727 75 75 PRO HD2 H 3.418 0.003 . 728 75 75 PRO HD3 H 3.848 0.007 . 729 75 75 PRO HG2 H 1.445 0.011 . 730 75 75 PRO HG3 H 1.464 0.007 . 731 75 75 PRO CA C 63.343 0.143 . 732 75 75 PRO CB C 32.994 0.089 . 733 75 75 PRO CD C 49.219 0.101 . 734 75 75 PRO CG C 24.954 0.079 . 735 76 76 TYR H H 9.316 0.009 . 736 76 76 TYR HA H 4.269 0.008 . 737 76 76 TYR HB2 H 3.261 0.010 . 738 76 76 TYR HB3 H 3.396 0.008 . 739 76 76 TYR HD1 H 7.083 0.007 . 740 76 76 TYR HD2 H 7.083 0.007 . 741 76 76 TYR HE1 H 6.794 0.004 . 742 76 76 TYR HE2 H 6.794 0.004 . 743 76 76 TYR CA C 62.319 0.076 . 744 76 76 TYR CB C 38.103 0.137 . 745 76 76 TYR CD1 C 132.987 0.036 . 746 76 76 TYR CE1 C 118.200 0.137 . 747 76 76 TYR N N 128.860 0.024 . 748 77 77 THR H H 7.231 0.007 . 749 77 77 THR HA H 4.289 0.008 . 750 77 77 THR HB H 4.239 0.011 . 751 77 77 THR HG2 H 1.114 0.006 . 752 77 77 THR CA C 59.354 0.024 . 753 77 77 THR CB C 70.168 0.021 . 754 77 77 THR CG2 C 22.343 0.034 . 755 77 77 THR N N 107.988 0.016 . 756 78 78 ALA H H 7.853 0.010 . 757 78 78 ALA HA H 3.628 0.008 . 758 78 78 ALA HB H 0.894 0.006 . 759 78 78 ALA CA C 50.512 0.063 . 760 78 78 ALA CB C 16.794 0.081 . 761 78 78 ALA N N 121.512 0.036 . 762 79 79 PRO HA H 4.687 0.005 . 763 79 79 PRO HB2 H 1.682 0.011 . 764 79 79 PRO HB3 H 1.682 0.011 . 765 79 79 PRO HD2 H 3.735 0.003 . 766 79 79 PRO HD3 H 3.846 0.002 . 767 79 79 PRO HG2 H 1.865 0.001 . 768 79 79 PRO HG3 H 1.947 0.008 . 769 79 79 PRO CA C 62.736 0.077 . 770 79 79 PRO CB C 30.981 0.000 . 771 79 79 PRO CD C 48.837 0.102 . 772 79 79 PRO CG C 25.681 0.132 . 773 80 80 GLU H H 8.677 0.008 . 774 80 80 GLU HA H 4.408 0.006 . 775 80 80 GLU HB2 H 1.989 0.009 . 776 80 80 GLU HB3 H 1.989 0.009 . 777 80 80 GLU HG2 H 2.086 0.007 . 778 80 80 GLU HG3 H 2.181 0.005 . 779 80 80 GLU CA C 56.128 0.098 . 780 80 80 GLU CB C 30.471 0.032 . 781 80 80 GLU CG C 35.942 0.087 . 782 80 80 GLU N N 120.455 0.011 . 783 81 81 ILE H H 8.294 0.005 . 784 81 81 ILE HA H 4.659 0.008 . 785 81 81 ILE HB H 1.328 0.007 . 786 81 81 ILE HD1 H 0.579 0.007 . 787 81 81 ILE HG12 H 0.401 0.008 . 788 81 81 ILE HG13 H 1.235 0.006 . 789 81 81 ILE HG2 H 0.015 0.006 . 790 81 81 ILE CA C 60.498 0.047 . 791 81 81 ILE CB C 40.984 0.097 . 792 81 81 ILE CD1 C 15.323 0.155 . 793 81 81 ILE CG1 C 27.317 0.116 . 794 81 81 ILE CG2 C 16.901 0.031 . 795 81 81 ILE N N 124.147 0.040 . 796 82 82 GLU H H 8.880 0.008 . 797 82 82 GLU HA H 4.364 0.010 . 798 82 82 GLU HB2 H 1.823 0.008 . 799 82 82 GLU HB3 H 1.823 0.008 . 800 82 82 GLU HG2 H 2.041 0.009 . 801 82 82 GLU HG3 H 2.089 0.007 . 802 82 82 GLU CA C 53.290 0.056 . 803 82 82 GLU CB C 33.688 0.105 . 804 82 82 GLU CG C 35.744 0.128 . 805 82 82 GLU N N 126.105 0.019 . 806 83 83 PHE H H 8.679 0.008 . 807 83 83 PHE HA H 5.109 0.010 . 808 83 83 PHE HB2 H 2.755 0.006 . 809 83 83 PHE HB3 H 2.965 0.011 . 810 83 83 PHE HD1 H 7.225 0.010 . 811 83 83 PHE HD2 H 7.225 0.010 . 812 83 83 PHE HE1 H 7.220 0.010 . 813 83 83 PHE HE2 H 7.220 0.010 . 814 83 83 PHE CA C 55.762 0.049 . 815 83 83 PHE CB C 40.013 0.058 . 816 83 83 PHE CD1 C 132.130 0.098 . 817 83 83 PHE CE1 C 130.564 0.093 . 818 83 83 PHE N N 120.459 0.024 . 819 84 84 LYS H H 9.190 0.010 . 820 84 84 LYS HA H 4.661 0.007 . 821 84 84 LYS HB2 H 1.425 0.007 . 822 84 84 LYS HB3 H 1.694 0.007 . 823 84 84 LYS HD2 H 1.443 0.008 . 824 84 84 LYS HD3 H 1.478 0.002 . 825 84 84 LYS HE2 H 2.602 0.008 . 826 84 84 LYS HE3 H 2.638 0.009 . 827 84 84 LYS HG3 H 1.186 0.007 . 828 84 84 LYS CA C 54.218 0.054 . 829 84 84 LYS CB C 35.729 0.086 . 830 84 84 LYS CD C 29.101 0.087 . 831 84 84 LYS CE C 41.576 0.123 . 832 84 84 LYS CG C 24.575 0.056 . 833 84 84 LYS N N 121.683 0.039 . 834 85 85 ASN H H 8.883 0.005 . 835 85 85 ASN HA H 4.284 0.008 . 836 85 85 ASN HB2 H 2.791 0.009 . 837 85 85 ASN HB3 H 2.791 0.009 . 838 85 85 ASN HD21 H 6.971 0.012 . 839 85 85 ASN HD22 H 7.462 0.010 . 840 85 85 ASN CA C 53.306 0.028 . 841 85 85 ASN CB C 37.352 0.062 . 842 85 85 ASN N N 117.677 0.019 . 843 85 85 ASN ND2 N 112.784 0.040 . 844 86 86 VAL H H 8.299 0.003 . 845 86 86 VAL HA H 3.909 0.009 . 846 86 86 VAL HB H 2.021 0.008 . 847 86 86 VAL HG1 H 0.883 0.010 . 848 86 86 VAL HG2 H 0.848 0.010 . 849 86 86 VAL CA C 64.352 0.069 . 850 86 86 VAL CB C 31.554 0.186 . 851 86 86 VAL CG1 C 23.173 0.142 . 852 86 86 VAL CG2 C 22.144 0.108 . 853 86 86 VAL N N 118.562 0.049 . 854 87 87 GLN H H 9.035 0.008 . 855 87 87 GLN HA H 4.731 0.006 . 856 87 87 GLN HB2 H 1.984 0.006 . 857 87 87 GLN HB3 H 2.067 0.008 . 858 87 87 GLN HE21 H 6.848 0.004 . 859 87 87 GLN HE22 H 7.205 0.011 . 860 87 87 GLN HG2 H 2.220 0.009 . 861 87 87 GLN HG3 H 2.270 0.005 . 862 87 87 GLN CA C 54.460 0.000 . 863 87 87 GLN CB C 31.355 0.052 . 864 87 87 GLN CG C 33.419 0.090 . 865 87 87 GLN N N 127.297 0.018 . 866 87 87 GLN NE2 N 111.427 0.006 . 867 88 88 ASN H H 9.141 0.004 . 868 88 88 ASN HA H 4.188 0.005 . 869 88 88 ASN HB2 H 2.642 0.008 . 870 88 88 ASN HB3 H 3.029 0.006 . 871 88 88 ASN CA C 54.905 0.035 . 872 88 88 ASN CB C 37.437 0.074 . 873 88 88 ASN N N 119.252 0.023 . 874 89 89 VAL H H 7.077 0.007 . 875 89 89 VAL HA H 3.982 0.007 . 876 89 89 VAL HB H 1.526 0.005 . 877 89 89 VAL HG1 H 0.841 0.007 . 878 89 89 VAL HG2 H 0.693 0.006 . 879 89 89 VAL CA C 62.518 0.051 . 880 89 89 VAL CB C 35.447 0.100 . 881 89 89 VAL CG1 C 21.996 0.096 . 882 89 89 VAL CG2 C 22.492 0.043 . 883 89 89 VAL N N 116.219 0.022 . 884 90 90 MET H H 8.511 0.006 . 885 90 90 MET HA H 4.352 0.009 . 886 90 90 MET HB2 H 1.547 0.006 . 887 90 90 MET HB3 H 2.206 0.010 . 888 90 90 MET HE H 1.963 0.004 . 889 90 90 MET HG2 H 2.412 0.007 . 890 90 90 MET HG3 H 2.459 0.003 . 891 90 90 MET CA C 55.428 0.084 . 892 90 90 MET CB C 34.319 0.096 . 893 90 90 MET CE C 16.873 0.008 . 894 90 90 MET CG C 31.976 0.067 . 895 90 90 MET N N 124.047 0.091 . 896 91 91 ASP H H 9.088 0.003 . 897 91 91 ASP HA H 4.208 0.007 . 898 91 91 ASP HB2 H 2.616 0.005 . 899 91 91 ASP HB3 H 2.656 0.007 . 900 91 91 ASP CA C 58.550 0.064 . 901 91 91 ASP CB C 40.154 0.070 . 902 91 91 ASP N N 123.856 0.031 . 903 92 92 SER H H 8.671 0.009 . 904 92 92 SER HA H 4.023 0.008 . 905 92 92 SER CA C 60.523 0.106 . 906 92 92 SER N N 113.242 0.020 . 907 93 93 GLN H H 6.689 0.009 . 908 93 93 GLN HA H 3.863 0.007 . 909 93 93 GLN HE21 H 6.416 0.007 . 910 93 93 GLN HE22 H 7.444 0.007 . 911 93 93 GLN HG2 H 1.711 0.007 . 912 93 93 GLN HG3 H 1.882 0.004 . 913 93 93 GLN CA C 58.046 0.050 . 914 93 93 GLN CG C 33.709 0.104 . 915 93 93 GLN N N 123.955 0.038 . 916 93 93 GLN NE2 N 110.398 0.032 . 917 94 94 LEU H H 7.586 0.006 . 918 94 94 LEU HA H 3.589 0.008 . 919 94 94 LEU HB2 H 1.183 0.009 . 920 94 94 LEU HB3 H 1.917 0.009 . 921 94 94 LEU HD1 H -0.028 0.005 . 922 94 94 LEU HD2 H 0.741 0.005 . 923 94 94 LEU CA C 57.773 0.099 . 924 94 94 LEU CB C 40.072 0.044 . 925 94 94 LEU CD1 C 21.768 0.029 . 926 94 94 LEU CD2 C 25.621 0.046 . 927 94 94 LEU N N 118.993 0.015 . 928 95 95 GLN H H 7.929 0.006 . 929 95 95 GLN HA H 3.955 0.008 . 930 95 95 GLN HB2 H 2.036 0.011 . 931 95 95 GLN HB3 H 2.076 0.010 . 932 95 95 GLN HE21 H 6.825 0.007 . 933 95 95 GLN HE22 H 7.463 0.006 . 934 95 95 GLN HG2 H 2.431 0.003 . 935 95 95 GLN HG3 H 2.431 0.003 . 936 95 95 GLN CA C 58.639 0.063 . 937 95 95 GLN CB C 27.731 0.103 . 938 95 95 GLN CG C 33.457 0.080 . 939 95 95 GLN N N 116.279 0.037 . 940 95 95 GLN NE2 N 111.917 0.070 . 941 96 96 MET H H 7.374 0.010 . 942 96 96 MET HA H 4.159 0.007 . 943 96 96 MET HB2 H 2.341 0.007 . 944 96 96 MET HB3 H 2.399 0.006 . 945 96 96 MET HE H 2.261 0.003 . 946 96 96 MET HG2 H 2.659 0.007 . 947 96 96 MET HG3 H 2.956 0.005 . 948 96 96 MET CA C 59.046 0.057 . 949 96 96 MET CB C 31.092 0.040 . 950 96 96 MET CE C 17.031 0.015 . 951 96 96 MET CG C 31.727 0.042 . 952 96 96 MET N N 120.626 0.033 . 953 97 97 LEU H H 7.875 0.009 . 954 97 97 LEU HA H 3.741 0.009 . 955 97 97 LEU HB2 H 1.109 0.009 . 956 97 97 LEU HB3 H 2.104 0.010 . 957 97 97 LEU HD1 H 1.014 0.007 . 958 97 97 LEU HD2 H 0.873 0.009 . 959 97 97 LEU HG H 2.059 0.009 . 960 97 97 LEU CA C 58.256 0.109 . 961 97 97 LEU CB C 41.719 0.030 . 962 97 97 LEU CD1 C 23.226 0.045 . 963 97 97 LEU CD2 C 26.708 0.036 . 964 97 97 LEU CG C 26.791 0.012 . 965 97 97 LEU N N 119.806 0.031 . 966 98 98 LYS H H 7.865 0.011 . 967 98 98 LYS HA H 3.527 0.007 . 968 98 98 LYS HB2 H 1.876 0.009 . 969 98 98 LYS HB3 H 1.906 0.010 . 970 98 98 LYS HD2 H 1.682 0.008 . 971 98 98 LYS HD3 H 1.682 0.008 . 972 98 98 LYS HE2 H 2.822 0.005 . 973 98 98 LYS HE3 H 2.822 0.005 . 974 98 98 LYS HG2 H 1.447 0.008 . 975 98 98 LYS HG3 H 1.675 0.005 . 976 98 98 LYS CA C 60.100 0.114 . 977 98 98 LYS CB C 32.525 0.042 . 978 98 98 LYS CD C 29.343 0.108 . 979 98 98 LYS CE C 41.804 0.045 . 980 98 98 LYS CG C 25.646 0.078 . 981 98 98 LYS N N 115.079 0.016 . 982 99 99 SER H H 7.873 0.006 . 983 99 99 SER HA H 4.217 0.005 . 984 99 99 SER HB2 H 4.033 0.007 . 985 99 99 SER HB3 H 4.033 0.007 . 986 99 99 SER CA C 61.575 0.083 . 987 99 99 SER CB C 62.756 0.077 . 988 99 99 SER N N 113.933 0.020 . 989 100 100 GLU H H 8.135 0.008 . 990 100 100 GLU HA H 4.046 0.005 . 991 100 100 GLU HB2 H 1.677 0.005 . 992 100 100 GLU HB3 H 1.943 0.007 . 993 100 100 GLU HG2 H 1.765 0.008 . 994 100 100 GLU HG3 H 2.196 0.007 . 995 100 100 GLU CA C 58.647 0.022 . 996 100 100 GLU CB C 29.226 0.112 . 997 100 100 GLU CG C 34.851 0.118 . 998 100 100 GLU N N 123.643 0.011 . 999 101 101 PHE H H 8.888 0.009 . 1000 101 101 PHE HA H 4.455 0.007 . 1001 101 101 PHE HB2 H 3.201 0.009 . 1002 101 101 PHE HB3 H 3.430 0.011 . 1003 101 101 PHE HD1 H 7.024 0.011 . 1004 101 101 PHE HD2 H 7.024 0.011 . 1005 101 101 PHE HE1 H 7.037 0.000 . 1006 101 101 PHE HE2 H 7.037 0.000 . 1007 101 101 PHE CA C 57.380 0.041 . 1008 101 101 PHE CB C 36.239 0.087 . 1009 101 101 PHE CE1 C 130.360 0.000 . 1010 101 101 PHE N N 119.316 0.022 . 1011 102 102 LYS H H 7.384 0.005 . 1012 102 102 LYS HA H 4.228 0.007 . 1013 102 102 LYS HB2 H 2.006 0.008 . 1014 102 102 LYS HB3 H 2.006 0.008 . 1015 102 102 LYS HE2 H 3.034 0.004 . 1016 102 102 LYS HE3 H 3.034 0.004 . 1017 102 102 LYS HG2 H 1.518 0.009 . 1018 102 102 LYS HG3 H 1.671 0.006 . 1019 102 102 LYS CA C 59.432 0.056 . 1020 102 102 LYS CB C 32.119 0.166 . 1021 102 102 LYS CE C 42.071 0.064 . 1022 102 102 LYS CG C 24.855 0.065 . 1023 102 102 LYS N N 119.338 0.036 . 1024 103 103 LYS H H 7.301 0.007 . 1025 103 103 LYS HA H 4.074 0.007 . 1026 103 103 LYS HB2 H 1.923 0.012 . 1027 103 103 LYS HB3 H 1.989 0.009 . 1028 103 103 LYS HE2 H 2.878 0.007 . 1029 103 103 LYS HE3 H 2.878 0.007 . 1030 103 103 LYS HG2 H 1.357 0.005 . 1031 103 103 LYS HG3 H 1.577 0.009 . 1032 103 103 LYS CA C 59.913 0.066 . 1033 103 103 LYS CB C 32.343 0.072 . 1034 103 103 LYS CE C 41.879 0.004 . 1035 103 103 LYS CG C 24.930 0.059 . 1036 103 103 LYS N N 120.596 0.031 . 1037 104 104 ILE H H 8.632 0.007 . 1038 104 104 ILE HA H 3.618 0.006 . 1039 104 104 ILE HB H 1.907 0.006 . 1040 104 104 ILE HD1 H 0.586 0.008 . 1041 104 104 ILE HG2 H 0.894 0.007 . 1042 104 104 ILE CA C 65.626 0.020 . 1043 104 104 ILE CB C 38.290 0.108 . 1044 104 104 ILE CD1 C 13.836 0.020 . 1045 104 104 ILE CG2 C 16.795 0.067 . 1046 104 104 ILE N N 121.314 0.030 . 1047 105 105 HIS H H 7.783 0.009 . 1048 105 105 HIS HA H 4.150 0.007 . 1049 105 105 HIS HB2 H 3.208 0.007 . 1050 105 105 HIS HB3 H 3.208 0.007 . 1051 105 105 HIS HE1 H 7.553 0.007 . 1052 105 105 HIS CA C 61.330 0.107 . 1053 105 105 HIS CB C 30.113 0.024 . 1054 105 105 HIS CE1 C 137.881 0.087 . 1055 105 105 HIS N N 117.887 0.068 . 1056 106 106 ASN H H 8.516 0.005 . 1057 106 106 ASN HA H 4.192 0.007 . 1058 106 106 ASN HB2 H 2.826 0.003 . 1059 106 106 ASN HB3 H 2.985 0.006 . 1060 106 106 ASN HD21 H 6.884 0.008 . 1061 106 106 ASN HD22 H 7.659 0.007 . 1062 106 106 ASN CA C 56.156 0.014 . 1063 106 106 ASN CB C 38.798 0.038 . 1064 106 106 ASN N N 115.391 0.014 . 1065 106 106 ASN ND2 N 111.835 0.013 . 1066 107 107 THR H H 8.024 0.009 . 1067 107 107 THR HA H 4.224 0.006 . 1068 107 107 THR HB H 4.337 0.004 . 1069 107 107 THR HG2 H 1.266 0.003 . 1070 107 107 THR CA C 63.751 0.035 . 1071 107 107 THR CB C 69.908 0.054 . 1072 107 107 THR CG2 C 21.571 0.095 . 1073 107 107 THR N N 110.242 0.016 . 1074 108 108 SER H H 7.470 0.007 . 1075 108 108 SER HA H 4.538 0.006 . 1076 108 108 SER HB2 H 3.774 0.007 . 1077 108 108 SER HB3 H 3.934 0.007 . 1078 108 108 SER CA C 58.012 0.083 . 1079 108 108 SER CB C 63.746 0.028 . 1080 108 108 SER N N 117.230 0.000 . 1081 109 109 ARG H H 7.583 0.006 . 1082 109 109 ARG HA H 3.751 0.009 . 1083 109 109 ARG HB2 H 1.744 0.012 . 1084 109 109 ARG HB3 H 1.766 0.010 . 1085 109 109 ARG HD2 H 3.052 0.011 . 1086 109 109 ARG HD3 H 3.052 0.011 . 1087 109 109 ARG HG2 H 1.398 0.007 . 1088 109 109 ARG HG3 H 1.523 0.005 . 1089 109 109 ARG CA C 58.155 0.053 . 1090 109 109 ARG CB C 29.323 0.078 . 1091 109 109 ARG CD C 43.538 0.018 . 1092 109 109 ARG CG C 27.335 0.079 . 1093 109 109 ARG N N 119.847 0.053 . 1094 110 110 GLY H H 8.306 0.009 . 1095 110 110 GLY HA2 H 4.254 0.007 . 1096 110 110 GLY HA3 H 3.222 0.003 . 1097 110 110 GLY CA C 45.409 0.053 . 1098 110 110 GLY N N 110.547 0.026 . 1099 111 111 GLN H H 7.675 0.006 . 1100 111 111 GLN HA H 4.434 0.009 . 1101 111 111 GLN HB2 H 2.005 0.010 . 1102 111 111 GLN HB3 H 2.184 0.007 . 1103 111 111 GLN HE21 H 6.833 0.002 . 1104 111 111 GLN HE22 H 7.530 0.003 . 1105 111 111 GLN HG2 H 2.286 0.007 . 1106 111 111 GLN HG3 H 2.333 0.005 . 1107 111 111 GLN CA C 54.062 0.018 . 1108 111 111 GLN CB C 31.203 0.108 . 1109 111 111 GLN CG C 34.231 0.066 . 1110 111 111 GLN N N 117.680 0.000 . 1111 111 111 GLN NE2 N 111.985 0.013 . 1112 112 112 GLU H H 9.475 0.004 . 1113 112 112 GLU HA H 3.990 0.009 . 1114 112 112 GLU HB2 H 1.945 0.009 . 1115 112 112 GLU HB3 H 2.406 0.007 . 1116 112 112 GLU HG2 H 2.114 0.007 . 1117 112 112 GLU HG3 H 2.444 0.005 . 1118 112 112 GLU CA C 59.468 0.043 . 1119 112 112 GLU CB C 28.669 0.036 . 1120 112 112 GLU CG C 37.393 0.112 . 1121 112 112 GLU N N 120.409 0.008 . 1122 113 113 ILE H H 8.404 0.011 . 1123 113 113 ILE HA H 4.906 0.005 . 1124 113 113 ILE HB H 2.418 0.008 . 1125 113 113 ILE HD1 H 1.109 0.003 . 1126 113 113 ILE HG12 H 1.460 0.013 . 1127 113 113 ILE HG13 H 1.691 0.009 . 1128 113 113 ILE HG2 H 1.019 0.006 . 1129 113 113 ILE CA C 61.844 0.067 . 1130 113 113 ILE CB C 42.326 0.139 . 1131 113 113 ILE CD1 C 14.942 0.018 . 1132 113 113 ILE CG2 C 18.294 0.081 . 1133 113 113 ILE N N 115.576 0.038 . 1134 114 114 ILE H H 9.644 0.009 . 1135 114 114 ILE HA H 3.512 0.006 . 1136 114 114 ILE HB H 2.034 0.011 . 1137 114 114 ILE HD1 H 0.212 0.006 . 1138 114 114 ILE HG12 H 0.932 0.006 . 1139 114 114 ILE HG13 H 2.070 0.011 . 1140 114 114 ILE HG2 H 0.395 0.005 . 1141 114 114 ILE CA C 64.754 0.129 . 1142 114 114 ILE CB C 33.821 0.111 . 1143 114 114 ILE CD1 C 8.711 0.025 . 1144 114 114 ILE CG1 C 26.705 0.069 . 1145 114 114 ILE CG2 C 17.609 0.041 . 1146 114 114 ILE N N 125.283 0.012 . 1147 115 115 PHE H H 9.386 0.005 . 1148 115 115 PHE HA H 4.845 0.005 . 1149 115 115 PHE HB2 H 2.884 0.010 . 1150 115 115 PHE HB3 H 3.104 0.008 . 1151 115 115 PHE HD1 H 7.230 0.007 . 1152 115 115 PHE HD2 H 7.230 0.007 . 1153 115 115 PHE HE1 H 7.295 0.009 . 1154 115 115 PHE HE2 H 7.295 0.009 . 1155 115 115 PHE HZ H 6.850 0.003 . 1156 115 115 PHE CA C 60.104 0.037 . 1157 115 115 PHE CB C 38.535 0.032 . 1158 115 115 PHE CD1 C 131.300 0.150 . 1159 115 115 PHE CE1 C 131.750 0.000 . 1160 115 115 PHE N N 118.450 0.082 . 1161 116 116 GLU H H 7.852 0.009 . 1162 116 116 GLU HA H 3.915 0.008 . 1163 116 116 GLU HB2 H 2.104 0.009 . 1164 116 116 GLU HB3 H 2.212 0.008 . 1165 116 116 GLU HG2 H 2.380 0.006 . 1166 116 116 GLU HG3 H 2.434 0.011 . 1167 116 116 GLU CA C 60.011 0.065 . 1168 116 116 GLU CB C 29.177 0.133 . 1169 116 116 GLU CG C 36.161 0.069 . 1170 116 116 GLU N N 121.367 0.027 . 1171 117 117 ILE H H 8.244 0.007 . 1172 117 117 ILE HA H 3.621 0.006 . 1173 117 117 ILE HB H 2.243 0.008 . 1174 117 117 ILE HD1 H 0.728 0.007 . 1175 117 117 ILE HG12 H 0.964 0.012 . 1176 117 117 ILE HG13 H 1.775 0.006 . 1177 117 117 ILE HG2 H 0.173 0.004 . 1178 117 117 ILE CA C 65.573 0.072 . 1179 117 117 ILE CB C 37.525 0.098 . 1180 117 117 ILE CD1 C 13.096 0.121 . 1181 117 117 ILE CG1 C 29.380 0.109 . 1182 117 117 ILE CG2 C 15.582 0.032 . 1183 117 117 ILE N N 119.656 0.033 . 1184 118 118 THR H H 9.388 0.006 . 1185 118 118 THR HA H 4.157 0.010 . 1186 118 118 THR HB H 3.727 0.008 . 1187 118 118 THR HG1 H 5.178 0.000 . 1188 118 118 THR HG2 H 1.203 0.004 . 1189 118 118 THR CA C 66.906 0.042 . 1190 118 118 THR CB C 66.906 0.024 . 1191 118 118 THR CG2 C 23.707 0.075 . 1192 118 118 THR N N 117.199 0.046 . 1193 119 119 SER H H 8.558 0.006 . 1194 119 119 SER HA H 4.094 0.007 . 1195 119 119 SER HB2 H 3.369 0.005 . 1196 119 119 SER HB3 H 3.618 0.008 . 1197 119 119 SER CA C 62.205 0.121 . 1198 119 119 SER CB C 62.439 0.086 . 1199 119 119 SER N N 118.986 0.018 . 1200 120 120 PHE H H 7.815 0.011 . 1201 120 120 PHE HA H 4.268 0.005 . 1202 120 120 PHE HB2 H 3.158 0.007 . 1203 120 120 PHE HB3 H 3.479 0.009 . 1204 120 120 PHE HD1 H 7.270 0.009 . 1205 120 120 PHE HD2 H 7.270 0.009 . 1206 120 120 PHE CA C 61.712 0.097 . 1207 120 120 PHE CB C 39.617 0.121 . 1208 120 120 PHE CD1 C 132.130 0.090 . 1209 120 120 PHE N N 123.880 0.000 . 1210 121 121 THR H H 8.167 0.008 . 1211 121 121 THR HA H 3.493 0.009 . 1212 121 121 THR HB H 4.298 0.011 . 1213 121 121 THR HG1 H 4.634 0.000 . 1214 121 121 THR HG2 H 1.174 0.004 . 1215 121 121 THR CA C 68.204 0.053 . 1216 121 121 THR CB C 67.350 0.046 . 1217 121 121 THR CG2 C 21.896 0.042 . 1218 121 121 THR N N 115.567 0.027 . 1219 122 122 GLN H H 8.500 0.010 . 1220 122 122 GLN HA H 3.644 0.008 . 1221 122 122 GLN HB2 H 2.276 0.010 . 1222 122 122 GLN HB3 H 2.276 0.010 . 1223 122 122 GLN CA C 58.904 0.064 . 1224 122 122 GLN CB C 29.290 0.050 . 1225 122 122 GLN N N 120.631 0.015 . 1226 123 123 GLU H H 7.420 0.009 . 1227 123 123 GLU HA H 4.051 0.007 . 1228 123 123 GLU HB2 H 1.943 0.005 . 1229 123 123 GLU HB3 H 2.060 0.009 . 1230 123 123 GLU HG2 H 2.069 0.010 . 1231 123 123 GLU HG3 H 2.343 0.002 . 1232 123 123 GLU CA C 59.094 0.053 . 1233 123 123 GLU CB C 29.275 0.097 . 1234 123 123 GLU CG C 36.179 0.064 . 1235 123 123 GLU N N 116.788 0.043 . 1236 124 124 LYS H H 7.721 0.011 . 1237 124 124 LYS HA H 3.510 0.007 . 1238 124 124 LYS HB2 H 0.864 0.007 . 1239 124 124 LYS HB3 H 1.367 0.009 . 1240 124 124 LYS HD2 H 1.215 0.009 . 1241 124 124 LYS HD3 H 1.274 0.006 . 1242 124 124 LYS HE2 H 2.411 0.004 . 1243 124 124 LYS HE3 H 2.590 0.008 . 1244 124 124 LYS HG2 H 0.559 0.011 . 1245 124 124 LYS HG3 H 0.666 0.010 . 1246 124 124 LYS CA C 56.242 0.033 . 1247 124 124 LYS CB C 30.655 0.071 . 1248 124 124 LYS CD C 26.627 0.127 . 1249 124 124 LYS CE C 42.401 0.066 . 1250 124 124 LYS CG C 23.143 0.005 . 1251 124 124 LYS N N 117.284 0.015 . 1252 125 125 LEU H H 8.537 0.009 . 1253 125 125 LEU HA H 3.612 0.007 . 1254 125 125 LEU HB2 H 1.159 0.009 . 1255 125 125 LEU HB3 H 1.693 0.006 . 1256 125 125 LEU HD1 H 0.647 0.007 . 1257 125 125 LEU HD2 H 0.636 0.006 . 1258 125 125 LEU HG H 1.564 0.009 . 1259 125 125 LEU CA C 58.185 0.081 . 1260 125 125 LEU CB C 41.887 0.063 . 1261 125 125 LEU CD1 C 24.156 0.063 . 1262 125 125 LEU CD2 C 26.903 0.034 . 1263 125 125 LEU CG C 26.886 0.085 . 1264 125 125 LEU N N 119.529 0.021 . 1265 126 126 ASP H H 7.468 0.011 . 1266 126 126 ASP HA H 4.522 0.007 . 1267 126 126 ASP HB2 H 2.682 0.004 . 1268 126 126 ASP HB3 H 2.682 0.004 . 1269 126 126 ASP CA C 57.444 0.068 . 1270 126 126 ASP N N 116.673 0.033 . 1271 127 127 GLU H H 7.318 0.009 . 1272 127 127 GLU HA H 4.137 0.007 . 1273 127 127 GLU HB2 H 2.025 0.005 . 1274 127 127 GLU HB3 H 2.068 0.010 . 1275 127 127 GLU HG2 H 2.132 0.006 . 1276 127 127 GLU HG3 H 2.394 0.006 . 1277 127 127 GLU CA C 58.769 0.029 . 1278 127 127 GLU CB C 29.851 0.111 . 1279 127 127 GLU CG C 36.148 0.080 . 1280 128 128 PHE H H 8.980 0.010 . 1281 128 128 PHE HA H 4.533 0.011 . 1282 128 128 PHE HB2 H 3.226 0.003 . 1283 128 128 PHE HB3 H 3.314 0.005 . 1284 128 128 PHE HD1 H 7.033 0.009 . 1285 128 128 PHE HD2 H 7.033 0.009 . 1286 128 128 PHE CA C 56.877 0.053 . 1287 128 128 PHE CB C 37.428 0.092 . 1288 128 128 PHE CD1 C 131.559 0.000 . 1289 128 128 PHE N N 119.512 0.015 . 1290 129 129 GLN H H 8.197 0.003 . 1291 129 129 GLN HA H 4.017 0.007 . 1292 129 129 GLN HB2 H 2.063 0.000 . 1293 129 129 GLN HB3 H 2.426 0.000 . 1294 129 129 GLN HE21 H 6.262 0.005 . 1295 129 129 GLN HE22 H 7.382 0.006 . 1296 129 129 GLN HG2 H 2.434 0.008 . 1297 129 129 GLN HG3 H 2.804 0.007 . 1298 129 129 GLN CA C 58.879 0.072 . 1299 129 129 GLN CB C 27.658 0.098 . 1300 129 129 GLN CG C 33.209 0.109 . 1301 129 129 GLN N N 118.686 0.090 . 1302 129 129 GLN NE2 N 107.775 0.014 . 1303 130 130 ASN H H 7.528 0.007 . 1304 130 130 ASN HA H 4.523 0.007 . 1305 130 130 ASN HB2 H 2.872 0.006 . 1306 130 130 ASN HB3 H 2.925 0.002 . 1307 130 130 ASN HD21 H 7.060 0.008 . 1308 130 130 ASN HD22 H 7.719 0.008 . 1309 130 130 ASN CA C 54.631 0.067 . 1310 130 130 ASN CB C 39.467 0.074 . 1311 130 130 ASN N N 115.021 0.025 . 1312 130 130 ASN ND2 N 112.272 0.027 . 1313 131 131 VAL H H 7.740 0.006 . 1314 131 131 VAL HA H 4.152 0.005 . 1315 131 131 VAL HB H 2.228 0.003 . 1316 131 131 VAL HG1 H 1.022 0.002 . 1317 131 131 VAL HG2 H 0.938 0.011 . 1318 131 131 VAL CA C 62.942 0.041 . 1319 131 131 VAL CB C 32.394 0.008 . 1320 131 131 VAL CG1 C 20.685 0.074 . 1321 131 131 VAL CG2 C 21.119 0.116 . 1322 131 131 VAL N N 116.461 0.017 . 1323 132 132 VAL H H 7.773 0.004 . 1324 132 132 VAL HA H 3.932 0.008 . 1325 132 132 VAL HB H 2.065 0.010 . 1326 132 132 VAL HG1 H 0.886 0.006 . 1327 132 132 VAL HG2 H 0.945 0.008 . 1328 132 132 VAL CA C 63.730 0.004 . 1329 132 132 VAL CB C 31.887 0.093 . 1330 132 132 VAL CG1 C 21.236 0.037 . 1331 132 132 VAL CG2 C 21.133 0.113 . 1332 132 132 VAL N N 121.475 0.033 . 1333 133 133 ASN H H 8.291 0.000 . stop_ save_