data_30326 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR solution structure of Enzyme I (nEIt) protein using two 4D-spectra ; _BMRB_accession_number 30326 _BMRB_flat_file_name bmr30326.str _Entry_type original _Submission_date 2017-08-03 _Accession_date 2017-08-03 _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 Evangelidis T. . . 2 Nerli S. . . 3 Sgourakis N. G. . 4 Tripsianes K. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1349 "13C chemical shifts" 800 "15N chemical shifts" 240 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-01-29 original BMRB . stop_ _Original_release_date 2017-09-13 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Automated NMR resonance assignments and structure determination using a minimal set of 4D spectra ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29374165 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Evangelidis T. . . 2 Nerli S. . . 3 Novacek J. . . 4 Brereton A. E. . 5 Karplus P. A. . 6 Dotas R. R. . 7 Venditti V. . . 8 Sgourakis N. G. . 9 Tripsianes K. . . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_volume 9 _Journal_issue 1 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 384 _Page_last 384 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Phosphoenolpyruvate-protein phosphotransferase (E.C.2.7.3.9)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 27297.273 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 248 _Mol_residue_sequence ; MLKGVAASPGIAIGKAFLYT KEKVTINVEKIEESKVEEEI AKFRKALEVTQEEIEKIKEK ALKEFGKEKAEIFEAHLMLA SDPELIEGVENMIKTELVTA DNAVNKVIEQNASVMESLND EYLKERAVDLRDVGNRIIEN LLGVKSVNLSDLEEEVVVIA RDLTPSDTATMKKEMVLGFA TDVGGRTSHTAIMARSLEIP AVVGLGNVTSQVKAGDLVIV DGLEGIVIVNPDEKTVEDYK SKKESYEK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LEU 3 LYS 4 GLY 5 VAL 6 ALA 7 ALA 8 SER 9 PRO 10 GLY 11 ILE 12 ALA 13 ILE 14 GLY 15 LYS 16 ALA 17 PHE 18 LEU 19 TYR 20 THR 21 LYS 22 GLU 23 LYS 24 VAL 25 THR 26 ILE 27 ASN 28 VAL 29 GLU 30 LYS 31 ILE 32 GLU 33 GLU 34 SER 35 LYS 36 VAL 37 GLU 38 GLU 39 GLU 40 ILE 41 ALA 42 LYS 43 PHE 44 ARG 45 LYS 46 ALA 47 LEU 48 GLU 49 VAL 50 THR 51 GLN 52 GLU 53 GLU 54 ILE 55 GLU 56 LYS 57 ILE 58 LYS 59 GLU 60 LYS 61 ALA 62 LEU 63 LYS 64 GLU 65 PHE 66 GLY 67 LYS 68 GLU 69 LYS 70 ALA 71 GLU 72 ILE 73 PHE 74 GLU 75 ALA 76 HIS 77 LEU 78 MET 79 LEU 80 ALA 81 SER 82 ASP 83 PRO 84 GLU 85 LEU 86 ILE 87 GLU 88 GLY 89 VAL 90 GLU 91 ASN 92 MET 93 ILE 94 LYS 95 THR 96 GLU 97 LEU 98 VAL 99 THR 100 ALA 101 ASP 102 ASN 103 ALA 104 VAL 105 ASN 106 LYS 107 VAL 108 ILE 109 GLU 110 GLN 111 ASN 112 ALA 113 SER 114 VAL 115 MET 116 GLU 117 SER 118 LEU 119 ASN 120 ASP 121 GLU 122 TYR 123 LEU 124 LYS 125 GLU 126 ARG 127 ALA 128 VAL 129 ASP 130 LEU 131 ARG 132 ASP 133 VAL 134 GLY 135 ASN 136 ARG 137 ILE 138 ILE 139 GLU 140 ASN 141 LEU 142 LEU 143 GLY 144 VAL 145 LYS 146 SER 147 VAL 148 ASN 149 LEU 150 SER 151 ASP 152 LEU 153 GLU 154 GLU 155 GLU 156 VAL 157 VAL 158 VAL 159 ILE 160 ALA 161 ARG 162 ASP 163 LEU 164 THR 165 PRO 166 SER 167 ASP 168 THR 169 ALA 170 THR 171 MET 172 LYS 173 LYS 174 GLU 175 MET 176 VAL 177 LEU 178 GLY 179 PHE 180 ALA 181 THR 182 ASP 183 VAL 184 GLY 185 GLY 186 ARG 187 THR 188 SER 189 HIS 190 THR 191 ALA 192 ILE 193 MET 194 ALA 195 ARG 196 SER 197 LEU 198 GLU 199 ILE 200 PRO 201 ALA 202 VAL 203 VAL 204 GLY 205 LEU 206 GLY 207 ASN 208 VAL 209 THR 210 SER 211 GLN 212 VAL 213 LYS 214 ALA 215 GLY 216 ASP 217 LEU 218 VAL 219 ILE 220 VAL 221 ASP 222 GLY 223 LEU 224 GLU 225 GLY 226 ILE 227 VAL 228 ILE 229 VAL 230 ASN 231 PRO 232 ASP 233 GLU 234 LYS 235 THR 236 VAL 237 GLU 238 ASP 239 TYR 240 LYS 241 SER 242 LYS 243 LYS 244 GLU 245 SER 246 TYR 247 GLU 248 LYS 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 _Strain _Gene_mnemonic $entity_1 'Caldanaerobacter subterraneus' 273068 Bacteria . Caldanaerobacter subterraneus 'DSM 15242 / JCM 11007 / NBRC 100824 / MB4' 'PtsA, TTE2334' 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 $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1.8 mM [U-13C; U-15N] Enzyme I (nEIt) protein, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.8 mM '[U-13C; U-15N]' 'sodium phosphate' 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name 4D-CHAINS _Version . loop_ _Vendor _Address _Electronic_address 'Evangelidis and Tripsianes' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CS-Rosetta _Version . loop_ _Vendor _Address _Electronic_address 'Shen, Vernon, Baker and Bax' . . stop_ loop_ _Task 'data analysis' refinement 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 850 _Details . save_ ############################# # NMR applied experiments # ############################# save_4D_HC(CC_TOCSY(CO))NH_1 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HC(CC TOCSY(CO))NH' _Sample_label $sample_1 save_ save_4D_13C,15N_edited_HMQC-NOESY-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13C,15N edited HMQC-NOESY-HSQC' _Sample_label $sample_1 save_ save_4D_13C,13C_edited_HMQC-NOESY-HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13C,13C edited HMQC-NOESY-HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 6.5 . pH pressure 1 . atm temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . 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 C 13 'methyl protons' ppm 0 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '4D HC(CC TOCSY(CO))NH' '4D 13C,15N edited HMQC-NOESY-HSQC' '4D 13C,13C edited HMQC-NOESY-HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 1 1 MET HA H 4.194 0.02 1 2 1 1 MET HB2 H 2.14 0.02 1 3 1 1 MET HB3 H 2.14 0.02 1 4 1 1 MET HG2 H 2.487 0.02 1 5 1 1 MET HG3 H 2.487 0.02 1 6 1 1 MET CA C 56.022 0.2 1 7 1 1 MET CB C 34.786 0.2 1 8 1 1 MET CG C 30.946 0.2 1 9 2 2 LEU H H 9.064 0.002 1 10 2 2 LEU HA H 4.77 0.02 1 11 2 2 LEU HB2 H 1.705 0.02 1 12 2 2 LEU HB3 H 1.705 0.02 1 13 2 2 LEU HG H 1.723 0.02 1 14 2 2 LEU HD1 H 0.866 0.02 1 15 2 2 LEU HD2 H 0.771 0.02 1 16 2 2 LEU CA C 54.675 0.2 1 17 2 2 LEU CB C 44.153 0.2 1 18 2 2 LEU CG C 27.732 0.2 1 19 2 2 LEU CD1 C 24.551 0.2 1 20 2 2 LEU CD2 C 25.778 0.2 1 21 2 2 LEU N N 124.376 0.01 1 22 3 3 LYS H H 8.423 0.003 1 23 3 3 LYS HA H 4.939 0.02 1 24 3 3 LYS HB2 H 1.711 0.02 1 25 3 3 LYS HB3 H 1.972 0.02 1 26 3 3 LYS HG2 H 1.497 0.02 1 27 3 3 LYS HG3 H 1.497 0.02 1 28 3 3 LYS HD2 H 1.756 0.02 1 29 3 3 LYS HD3 H 1.807 0.02 1 30 3 3 LYS HE2 H 3.082 0.02 1 31 3 3 LYS HE3 H 3.082 0.02 1 32 3 3 LYS CA C 55.606 0.2 1 33 3 3 LYS CB C 34.767 0.2 1 34 3 3 LYS CG C 25.229 0.2 1 35 3 3 LYS CD C 29.422 0.2 1 36 3 3 LYS CE C 42.591 0.2 1 37 3 3 LYS N N 122.451 0.011 1 38 4 4 GLY H H 8.62 0.001 1 39 4 4 GLY HA2 H 3.195 0.02 1 40 4 4 GLY HA3 H 4.521 0.02 1 41 4 4 GLY CA C 44.887 0.2 1 42 4 4 GLY N N 114.312 0.016 1 43 5 5 VAL H H 8.946 0.002 1 44 5 5 VAL HA H 4.148 0.02 1 45 5 5 VAL HB H 1.829 0.02 1 46 5 5 VAL HG1 H 0.755 0.02 1 47 5 5 VAL HG2 H 1.038 0.02 1 48 5 5 VAL CA C 61.791 0.2 1 49 5 5 VAL CB C 33.123 0.2 1 50 5 5 VAL CG1 C 20.489 0.2 1 51 5 5 VAL CG2 C 21.058 0.2 1 52 5 5 VAL N N 124.925 0.01 1 53 6 6 ALA H H 8.963 0.001 1 54 6 6 ALA HA H 4.119 0.02 1 55 6 6 ALA HB H 1.26 0.02 1 56 6 6 ALA CA C 53.182 0.2 1 57 6 6 ALA CB C 17.3 0.2 1 58 6 6 ALA N N 131.691 0.008 1 59 7 7 ALA H H 8.152 0.001 1 60 7 7 ALA HA H 4.45 0.02 1 61 7 7 ALA HB H 1.247 0.02 1 62 7 7 ALA CA C 53.082 0.2 1 63 7 7 ALA CB C 21.888 0.2 1 64 7 7 ALA N N 128.551 0.016 1 65 8 8 SER H H 7.684 0.002 1 66 8 8 SER HA H 4.277 0.02 1 67 8 8 SER HB2 H 3.722 0.02 1 68 8 8 SER HB3 H 4.001 0.02 1 69 8 8 SER CA C 62.069 0.2 1 70 8 8 SER CB C 65.061 0.2 1 71 8 8 SER N N 112.118 0.016 1 72 9 9 PRO HA H 4.148 0.02 1 73 9 9 PRO HB2 H 2.086 0.02 1 74 9 9 PRO HB3 H 2.253 0.02 1 75 9 9 PRO CA C 63.223 0.2 1 76 9 9 PRO CB C 33.397 0.2 1 77 10 10 GLY H H 5.698 0.003 1 78 10 10 GLY HA2 H 3.226 0.02 1 79 10 10 GLY HA3 H 4.551 0.02 1 80 10 10 GLY CA C 43.469 0.2 1 81 10 10 GLY N N 102.303 0.015 1 82 11 11 ILE H H 8.701 0.002 1 83 11 11 ILE HA H 5.182 0.02 1 84 11 11 ILE HB H 1.601 0.02 1 85 11 11 ILE HG12 H 1.248 0.02 1 86 11 11 ILE HG13 H 1.517 0.02 1 87 11 11 ILE HG2 H 0.954 0.02 1 88 11 11 ILE HD1 H 0.989 0.02 1 89 11 11 ILE CA C 59.665 0.2 1 90 11 11 ILE CB C 41.951 0.2 1 91 11 11 ILE CG1 C 28.14 0.2 1 92 11 11 ILE CG2 C 18.434 0.2 1 93 11 11 ILE CD1 C 13.679 0.2 1 94 11 11 ILE N N 118.815 0.016 1 95 12 12 ALA H H 9.025 0.003 1 96 12 12 ALA HA H 4.971 0.02 1 97 12 12 ALA HB H 1.128 0.02 1 98 12 12 ALA CA C 49.821 0.2 1 99 12 12 ALA CB C 22.719 0.2 1 100 12 12 ALA N N 128.723 0.016 1 101 13 13 ILE H H 8.548 0.003 1 102 13 13 ILE HA H 4.914 0.02 1 103 13 13 ILE HB H 1.718 0.02 1 104 13 13 ILE HG12 H 0.943 0.02 1 105 13 13 ILE HG13 H 1.461 0.02 1 106 13 13 ILE HG2 H 0.768 0.02 1 107 13 13 ILE HD1 H 0.863 0.02 1 108 13 13 ILE CA C 60.295 0.2 1 109 13 13 ILE CB C 41.27 0.2 1 110 13 13 ILE CG1 C 27.631 0.2 1 111 13 13 ILE CG2 C 16.76 0.2 1 112 13 13 ILE CD1 C 14.526 0.2 1 113 13 13 ILE N N 120.913 0.017 1 114 14 14 GLY H H 8.707 0.002 1 115 14 14 GLY HA2 H 3.921 0.02 1 116 14 14 GLY HA3 H 4.091 0.02 1 117 14 14 GLY CA C 45.807 0.2 1 118 14 14 GLY N N 111.782 0.017 1 119 15 15 LYS H H 8.849 0.002 1 120 15 15 LYS HA H 4.56 0.02 1 121 15 15 LYS HB2 H 1.732 0.02 1 122 15 15 LYS HB3 H 1.862 0.02 1 123 15 15 LYS HG2 H 1.5 0.02 1 124 15 15 LYS HG3 H 1.5 0.02 1 125 15 15 LYS HD2 H 1.74 0.02 1 126 15 15 LYS HD3 H 1.74 0.02 1 127 15 15 LYS CA C 56.156 0.2 1 128 15 15 LYS CB C 34.225 0.2 1 129 15 15 LYS CG C 25.347 0.2 1 130 15 15 LYS CD C 29.67 0.2 1 131 15 15 LYS N N 120.313 0.016 1 132 16 16 ALA H H 9.183 0.001 1 133 16 16 ALA HA H 4.583 0.02 1 134 16 16 ALA HB H 1.291 0.02 1 135 16 16 ALA CA C 52.551 0.2 1 136 16 16 ALA CB C 20.818 0.2 1 137 16 16 ALA N N 123.867 0.014 1 138 17 17 PHE H H 9.296 0.003 1 139 17 17 PHE HA H 4.617 0.02 1 140 17 17 PHE HB2 H 2.818 0.02 1 141 17 17 PHE HB3 H 2.973 0.02 1 142 17 17 PHE CA C 57.555 0.2 1 143 17 17 PHE CB C 42.475 0.2 1 144 17 17 PHE N N 126.416 0.016 1 145 18 18 LEU H H 7.786 0.002 1 146 18 18 LEU HA H 4.693 0.02 1 147 18 18 LEU HB2 H 1.283 0.02 1 148 18 18 LEU HB3 H 1.627 0.02 1 149 18 18 LEU HG H 1.545 0.02 1 150 18 18 LEU HD1 H 0.782 0.02 1 151 18 18 LEU HD2 H 0.741 0.02 1 152 18 18 LEU CA C 53.6 0.2 1 153 18 18 LEU CB C 41.968 0.2 1 154 18 18 LEU CG C 28.255 0.2 1 155 18 18 LEU CD1 C 23.827 0.2 1 156 18 18 LEU CD2 C 24.172 0.2 1 157 18 18 LEU N N 130.549 0.008 1 158 19 19 TYR H H 9.284 0.003 1 159 19 19 TYR HA H 4.845 0.02 1 160 19 19 TYR HB2 H 2.856 0.02 1 161 19 19 TYR HB3 H 3.266 0.02 1 162 19 19 TYR CA C 55.93 0.2 1 163 19 19 TYR CB C 38.9 0.2 1 164 19 19 TYR N N 129.254 0.016 1 165 20 20 THR H H 7.612 0.002 1 166 20 20 THR HA H 4.333 0.02 1 167 20 20 THR HB H 4.107 0.02 1 168 20 20 THR HG2 H 1.086 0.02 1 169 20 20 THR CA C 59.851 0.2 1 170 20 20 THR CB C 70.638 0.2 1 171 20 20 THR CG2 C 21.542 0.2 1 172 20 20 THR N N 117.863 0.028 1 173 21 21 LYS H H 8.119 0.001 1 174 21 21 LYS HA H 4.343 0.02 1 175 21 21 LYS HB2 H 1.595 0.02 1 176 21 21 LYS HB3 H 1.831 0.02 1 177 21 21 LYS HG2 H 1.259 0.02 1 178 21 21 LYS HG3 H 1.259 0.02 1 179 21 21 LYS HD2 H 1.676 0.02 1 180 21 21 LYS HD3 H 1.676 0.02 1 181 21 21 LYS HE2 H 2.991 0.02 1 182 21 21 LYS HE3 H 2.991 0.02 1 183 21 21 LYS CA C 55.479 0.2 1 184 21 21 LYS CB C 33.239 0.2 1 185 21 21 LYS CG C 24.757 0.2 1 186 21 21 LYS CD C 28.991 0.2 1 187 21 21 LYS CE C 42.343 0.2 1 188 21 21 LYS N N 122.545 0.005 1 189 22 22 GLU H H 8.557 0.001 1 190 22 22 GLU HA H 4.202 0.02 1 191 22 22 GLU HB2 H 1.835 0.02 1 192 22 22 GLU HB3 H 1.968 0.02 1 193 22 22 GLU HG2 H 2.274 0.02 1 194 22 22 GLU HG3 H 2.274 0.02 1 195 22 22 GLU CA C 56.227 0.2 1 196 22 22 GLU CB C 30.437 0.2 1 197 22 22 GLU CG C 36.187 0.2 1 198 22 22 GLU N N 123.345 0.01 1 199 23 23 LYS H H 8.453 0.001 1 200 23 23 LYS HA H 4.327 0.02 1 201 23 23 LYS HB2 H 1.75 0.02 1 202 23 23 LYS HB3 H 1.81 0.02 1 203 23 23 LYS HG2 H 1.453 0.02 1 204 23 23 LYS HG3 H 1.453 0.02 1 205 23 23 LYS HD2 H 1.707 0.02 1 206 23 23 LYS HD3 H 1.707 0.02 1 207 23 23 LYS HE2 H 3.026 0.02 1 208 23 23 LYS HE3 H 3.026 0.02 1 209 23 23 LYS CA C 56.236 0.2 1 210 23 23 LYS CB C 32.766 0.2 1 211 23 23 LYS CG C 24.724 0.2 1 212 23 23 LYS CD C 29.147 0.2 1 213 23 23 LYS CE C 42.411 0.2 1 214 23 23 LYS N N 123.918 0.009 1 215 24 24 VAL H H 8.174 0.001 1 216 24 24 VAL HA H 4.203 0.02 1 217 24 24 VAL HB H 2.013 0.02 1 218 24 24 VAL HG1 H 0.925 0.02 1 219 24 24 VAL HG2 H 0.904 0.02 1 220 24 24 VAL CA C 61.516 0.2 1 221 24 24 VAL CB C 33.275 0.2 1 222 24 24 VAL CG1 C 20.192 0.2 1 223 24 24 VAL CG2 C 21.965 0.2 1 224 24 24 VAL N N 122.072 0.007 1 225 25 25 THR H H 8.252 0 1 226 25 25 THR HA H 4.323 0.02 1 227 25 25 THR HB H 4.03 0.02 1 228 25 25 THR HG2 H 1.185 0.02 1 229 25 25 THR CA C 61.88 0.2 1 230 25 25 THR CB C 69.765 0.2 1 231 25 25 THR CG2 C 21.655 0.2 1 232 25 25 THR N N 121.382 0.004 1 233 26 26 ILE H H 8.032 0.001 1 234 26 26 ILE HA H 4.225 0.02 1 235 26 26 ILE HB H 1.822 0.02 1 236 26 26 ILE HG12 H 1.315 0.02 1 237 26 26 ILE HG13 H 1.393 0.02 1 238 26 26 ILE HG2 H 0.752 0.02 1 239 26 26 ILE HD1 H 0.759 0.02 1 240 26 26 ILE CA C 59.02 0.2 1 241 26 26 ILE CB C 37.894 0.2 1 242 26 26 ILE CG1 C 27.569 0.2 1 243 26 26 ILE CG2 C 17.347 0.2 1 244 26 26 ILE CD1 C 11.419 0.2 1 245 26 26 ILE N N 126.425 0.007 1 246 27 27 ASN H H 9.381 0.002 1 247 27 27 ASN HA H 4.695 0.02 1 248 27 27 ASN HB2 H 2.98 0.02 1 249 27 27 ASN HB3 H 3.388 0.02 1 250 27 27 ASN CA C 53.217 0.2 1 251 27 27 ASN CB C 39.22 0.2 1 252 27 27 ASN N N 127.372 0.01 1 253 28 28 VAL H H 8.042 0.002 1 254 28 28 VAL HA H 4.529 0.02 1 255 28 28 VAL HB H 2.46 0.02 1 256 28 28 VAL HG1 H 0.841 0.02 1 257 28 28 VAL HG2 H 0.885 0.02 1 258 28 28 VAL CA C 61.135 0.2 1 259 28 28 VAL CB C 31.238 0.2 1 260 28 28 VAL CG1 C 21.409 0.2 1 261 28 28 VAL CG2 C 18.248 0.2 1 262 28 28 VAL N N 116.892 0.019 1 263 29 29 GLU H H 7.958 0.001 1 264 29 29 GLU HA H 4.306 0.02 1 265 29 29 GLU HB2 H 2.118 0.02 1 266 29 29 GLU HB3 H 2.118 0.02 1 267 29 29 GLU HG2 H 2.358 0.02 1 268 29 29 GLU HG3 H 2.401 0.02 1 269 29 29 GLU CA C 56.552 0.2 1 270 29 29 GLU CB C 30.364 0.2 1 271 29 29 GLU CG C 36.371 0.2 1 272 29 29 GLU N N 123.105 0.01 1 273 30 30 LYS H H 8.377 0.001 1 274 30 30 LYS HA H 4.892 0.02 1 275 30 30 LYS HB2 H 1.81 0.02 1 276 30 30 LYS HB3 H 2.056 0.02 1 277 30 30 LYS HG2 H 1.596 0.02 1 278 30 30 LYS HG3 H 1.682 0.02 1 279 30 30 LYS HD2 H 1.8 0.02 1 280 30 30 LYS HD3 H 1.8 0.02 1 281 30 30 LYS HE2 H 3.092 0.02 1 282 30 30 LYS HE3 H 3.092 0.02 1 283 30 30 LYS CA C 55.739 0.2 1 284 30 30 LYS CB C 33.412 0.2 1 285 30 30 LYS CG C 25.054 0.2 1 286 30 30 LYS CD C 28.845 0.2 1 287 30 30 LYS CE C 42.616 0.2 1 288 30 30 LYS N N 121.832 0.011 1 289 31 31 ILE H H 8.146 0.003 1 290 31 31 ILE HA H 4.591 0.02 1 291 31 31 ILE HB H 1.862 0.02 1 292 31 31 ILE HG12 H 0.439 0.02 1 293 31 31 ILE HG13 H 1.118 0.02 1 294 31 31 ILE HG2 H 0.771 0.02 1 295 31 31 ILE HD1 H 0.623 0.02 1 296 31 31 ILE CA C 59.691 0.2 1 297 31 31 ILE CB C 40.461 0.2 1 298 31 31 ILE CG1 C 25.291 0.2 1 299 31 31 ILE CG2 C 18.907 0.2 1 300 31 31 ILE CD1 C 14.681 0.2 1 301 31 31 ILE N N 115.977 0.014 1 302 32 32 GLU H H 7.924 0.002 1 303 32 32 GLU HA H 4.418 0.02 1 304 32 32 GLU HB2 H 1.898 0.02 1 305 32 32 GLU HB3 H 2.278 0.02 1 306 32 32 GLU HG2 H 2.399 0.02 1 307 32 32 GLU HG3 H 2.399 0.02 1 308 32 32 GLU CA C 55.911 0.2 1 309 32 32 GLU CB C 31.173 0.2 1 310 32 32 GLU CG C 36.95 0.2 1 311 32 32 GLU N N 118.142 0.024 1 312 33 33 GLU H H 9.129 0.001 1 313 33 33 GLU HA H 4.019 0.02 1 314 33 33 GLU HB2 H 2.17 0.02 1 315 33 33 GLU HB3 H 2.17 0.02 1 316 33 33 GLU HG2 H 2.454 0.02 1 317 33 33 GLU HG3 H 2.454 0.02 1 318 33 33 GLU CA C 60.082 0.2 1 319 33 33 GLU CB C 29.503 0.2 1 320 33 33 GLU CG C 36.746 0.2 1 321 33 33 GLU N N 122.512 0.01 1 322 34 34 SER H H 8.186 0.001 1 323 34 34 SER HA H 4.389 0.02 1 324 34 34 SER HB2 H 4.033 0.02 1 325 34 34 SER HB3 H 4.139 0.02 1 326 34 34 SER CA C 60.044 0.2 1 327 34 34 SER CB C 62.8 0.2 1 328 34 34 SER N N 111.608 0.021 1 329 35 35 LYS H H 8.055 0.003 1 330 35 35 LYS HA H 4.688 0.02 1 331 35 35 LYS HB2 H 1.981 0.02 1 332 35 35 LYS HB3 H 2.339 0.02 1 333 35 35 LYS HG2 H 1.463 0.02 1 334 35 35 LYS HG3 H 1.634 0.02 1 335 35 35 LYS HD2 H 1.733 0.02 1 336 35 35 LYS HD3 H 1.733 0.02 1 337 35 35 LYS HE2 H 3.054 0.02 1 338 35 35 LYS HE3 H 3.054 0.02 1 339 35 35 LYS CA C 55.423 0.2 1 340 35 35 LYS CB C 32.93 0.2 1 341 35 35 LYS CG C 25.129 0.2 1 342 35 35 LYS CD C 28.556 0.2 1 343 35 35 LYS CE C 42.525 0.2 1 344 35 35 LYS N N 121.281 0.016 1 345 36 36 VAL H H 7.43 0.002 1 346 36 36 VAL HA H 3.404 0.02 1 347 36 36 VAL HB H 2.219 0.02 1 348 36 36 VAL HG1 H 1.019 0.02 1 349 36 36 VAL HG2 H 1.226 0.02 1 350 36 36 VAL CA C 67.262 0.2 1 351 36 36 VAL CB C 32.409 0.2 1 352 36 36 VAL CG1 C 22.16 0.2 1 353 36 36 VAL CG2 C 24.932 0.2 1 354 36 36 VAL N N 122.033 0.021 1 355 37 37 GLU H H 8.625 0.001 1 356 37 37 GLU HA H 4.012 0.02 1 357 37 37 GLU HB2 H 2.135 0.02 1 358 37 37 GLU HB3 H 2.135 0.02 1 359 37 37 GLU HG2 H 2.35 0.02 1 360 37 37 GLU HG3 H 2.429 0.02 1 361 37 37 GLU CA C 60.358 0.2 1 362 37 37 GLU CB C 28.797 0.2 1 363 37 37 GLU CG C 36.909 0.2 1 364 37 37 GLU N N 117.48 0.016 1 365 38 38 GLU H H 8.066 0.001 1 366 38 38 GLU HA H 4.207 0.02 1 367 38 38 GLU HB2 H 2.251 0.02 1 368 38 38 GLU HB3 H 2.251 0.02 1 369 38 38 GLU HG2 H 2.337 0.02 1 370 38 38 GLU HG3 H 2.432 0.02 1 371 38 38 GLU CA C 59.453 0.2 1 372 38 38 GLU CB C 29.85 0.2 1 373 38 38 GLU CG C 36.96 0.2 1 374 38 38 GLU N N 120.996 0.015 1 375 39 39 GLU H H 8.253 0.004 1 376 39 39 GLU HA H 4.183 0.02 1 377 39 39 GLU HB2 H 2.249 0.02 1 378 39 39 GLU HB3 H 2.249 0.02 1 379 39 39 GLU HG2 H 2.629 0.02 1 380 39 39 GLU HG3 H 2.629 0.02 1 381 39 39 GLU CA C 59.515 0.2 1 382 39 39 GLU CB C 29.886 0.2 1 383 39 39 GLU CG C 36.633 0.2 1 384 39 39 GLU N N 121.901 0.02 1 385 40 40 ILE H H 8.654 0.003 1 386 40 40 ILE HA H 3.765 0.02 1 387 40 40 ILE HB H 2.035 0.02 1 388 40 40 ILE HG12 H 1.076 0.02 1 389 40 40 ILE HG13 H 2.067 0.02 1 390 40 40 ILE HG2 H 1.038 0.02 1 391 40 40 ILE HD1 H 0.962 0.02 1 392 40 40 ILE CA C 66.444 0.2 1 393 40 40 ILE CB C 37.809 0.2 1 394 40 40 ILE CG1 C 31.108 0.2 1 395 40 40 ILE CG2 C 17.066 0.2 1 396 40 40 ILE CD1 C 14.015 0.2 1 397 40 40 ILE N N 120.32 0.021 1 398 41 41 ALA H H 8.258 0.001 1 399 41 41 ALA HA H 4.163 0.02 1 400 41 41 ALA HB H 1.617 0.02 1 401 41 41 ALA CA C 55.727 0.2 1 402 41 41 ALA CB C 17.899 0.2 1 403 41 41 ALA N N 122.316 0.021 1 404 42 42 LYS H H 8.28 0.001 1 405 42 42 LYS HA H 4.076 0.02 1 406 42 42 LYS HB2 H 1.968 0.02 1 407 42 42 LYS HB3 H 2.135 0.02 1 408 42 42 LYS HG2 H 1.532 0.02 1 409 42 42 LYS HG3 H 1.853 0.02 1 410 42 42 LYS HD2 H 1.869 0.02 1 411 42 42 LYS HD3 H 1.869 0.02 1 412 42 42 LYS CA C 60.146 0.2 1 413 42 42 LYS CB C 32.722 0.2 1 414 42 42 LYS CG C 25.523 0.2 1 415 42 42 LYS CD C 30.207 0.2 1 416 42 42 LYS N N 119.761 0.025 1 417 43 43 PHE H H 8.27 0.005 1 418 43 43 PHE HA H 4.395 0.02 1 419 43 43 PHE HB2 H 3.27 0.02 1 420 43 43 PHE HB3 H 3.538 0.02 1 421 43 43 PHE CA C 60.708 0.2 1 422 43 43 PHE CB C 38.317 0.2 1 423 43 43 PHE N N 120.542 0.023 1 424 44 44 ARG H H 8.842 0.003 1 425 44 44 ARG HA H 3.441 0.02 1 426 44 44 ARG HB2 H 1.905 0.02 1 427 44 44 ARG HB3 H 1.905 0.02 1 428 44 44 ARG HG2 H 1.72 0.02 1 429 44 44 ARG HG3 H 2.015 0.02 1 430 44 44 ARG HD2 H 2.981 0.02 1 431 44 44 ARG HD3 H 3.259 0.02 1 432 44 44 ARG CA C 59.491 0.2 1 433 44 44 ARG CB C 29.331 0.2 1 434 44 44 ARG CG C 27.878 0.2 1 435 44 44 ARG CD C 42.846 0.2 1 436 44 44 ARG N N 118.75 0.022 1 437 45 45 LYS H H 8.077 0.002 1 438 45 45 LYS HA H 4.239 0.02 1 439 45 45 LYS HB2 H 1.952 0.02 1 440 45 45 LYS HB3 H 2.017 0.02 1 441 45 45 LYS HG2 H 1.547 0.02 1 442 45 45 LYS HG3 H 1.547 0.02 1 443 45 45 LYS HD2 H 1.764 0.02 1 444 45 45 LYS HD3 H 1.818 0.02 1 445 45 45 LYS CA C 58.634 0.2 1 446 45 45 LYS CB C 31.716 0.2 1 447 45 45 LYS CG C 24.487 0.2 1 448 45 45 LYS CD C 29.758 0.2 1 449 45 45 LYS N N 119.978 0.014 1 450 46 46 ALA H H 8.114 0.002 1 451 46 46 ALA HA H 4.211 0.02 1 452 46 46 ALA HB H 1.545 0.02 1 453 46 46 ALA CA C 55.015 0.2 1 454 46 46 ALA CB C 18.883 0.2 1 455 46 46 ALA N N 121.107 0.014 1 456 47 47 LEU H H 8.901 0.002 1 457 47 47 LEU HA H 3.931 0.02 1 458 47 47 LEU HB2 H 1.095 0.02 1 459 47 47 LEU HB3 H 1.626 0.02 1 460 47 47 LEU HG H 1.408 0.02 1 461 47 47 LEU HD1 H 0.922 0.02 1 462 47 47 LEU HD2 H 0.837 0.02 1 463 47 47 LEU CA C 58.348 0.2 1 464 47 47 LEU CB C 41.907 0.2 1 465 47 47 LEU CG C 26.357 0.2 1 466 47 47 LEU CD1 C 23.543 0.2 1 467 47 47 LEU CD2 C 24.983 0.2 1 468 47 47 LEU N N 123.45 0.024 1 469 48 48 GLU H H 7.744 0.002 1 470 48 48 GLU HA H 4.048 0.02 1 471 48 48 GLU HB2 H 2.255 0.02 1 472 48 48 GLU HB3 H 2.255 0.02 1 473 48 48 GLU HG2 H 2.256 0.02 1 474 48 48 GLU HG3 H 2.475 0.02 1 475 48 48 GLU CA C 60.045 0.2 1 476 48 48 GLU CB C 29.738 0.2 1 477 48 48 GLU CG C 36.453 0.2 1 478 48 48 GLU N N 120.804 0.014 1 479 49 49 VAL H H 8.252 0.002 1 480 49 49 VAL HA H 3.845 0.02 1 481 49 49 VAL HB H 2.108 0.02 1 482 49 49 VAL HG1 H 1.005 0.02 1 483 49 49 VAL HG2 H 1.146 0.02 1 484 49 49 VAL CA C 66.221 0.2 1 485 49 49 VAL CB C 32.219 0.2 1 486 49 49 VAL CG1 C 20.942 0.2 1 487 49 49 VAL CG2 C 22.541 0.2 1 488 49 49 VAL N N 119.116 0.01 1 489 50 50 THR H H 8.154 0.002 1 490 50 50 THR HA H 4.519 0.02 1 491 50 50 THR HB H 3.809 0.02 1 492 50 50 THR HG2 H 1.233 0.02 1 493 50 50 THR CA C 68.442 0.2 1 494 50 50 THR CB C 68.037 0.2 1 495 50 50 THR CG2 C 20.661 0.2 1 496 50 50 THR N N 118.262 0.021 1 497 51 51 GLN H H 8.581 0.001 1 498 51 51 GLN HA H 3.744 0.02 1 499 51 51 GLN HB2 H 2.072 0.02 1 500 51 51 GLN HB3 H 2.378 0.02 1 501 51 51 GLN HG2 H 2.185 0.02 1 502 51 51 GLN HG3 H 2.574 0.02 1 503 51 51 GLN CA C 60.224 0.2 1 504 51 51 GLN CB C 27.846 0.2 1 505 51 51 GLN CG C 34.322 0.2 1 506 51 51 GLN N N 120.585 0.02 1 507 52 52 GLU H H 7.935 0.004 1 508 52 52 GLU HA H 4.075 0.02 1 509 52 52 GLU HB2 H 2.171 0.02 1 510 52 52 GLU HB3 H 2.249 0.02 1 511 52 52 GLU HG2 H 2.267 0.02 1 512 52 52 GLU HG3 H 2.505 0.02 1 513 52 52 GLU CA C 59.706 0.2 1 514 52 52 GLU CB C 29.547 0.2 1 515 52 52 GLU CG C 36.49 0.2 1 516 52 52 GLU N N 118.956 0.014 1 517 53 53 GLU H H 8.507 0.002 1 518 53 53 GLU HA H 4.028 0.02 1 519 53 53 GLU HB2 H 2.148 0.02 1 520 53 53 GLU HB3 H 2.411 0.02 1 521 53 53 GLU HG2 H 2.267 0.02 1 522 53 53 GLU HG3 H 2.581 0.02 1 523 53 53 GLU CA C 59.751 0.2 1 524 53 53 GLU CB C 30.173 0.2 1 525 53 53 GLU CG C 36.967 0.2 1 526 53 53 GLU N N 119.998 0.015 1 527 54 54 ILE H H 8.451 0.002 1 528 54 54 ILE HA H 3.619 0.02 1 529 54 54 ILE HB H 1.938 0.02 1 530 54 54 ILE HG12 H 1.093 0.02 1 531 54 54 ILE HG13 H 1.093 0.02 1 532 54 54 ILE HG2 H 1.123 0.02 1 533 54 54 ILE HD1 H 0.921 0.02 1 534 54 54 ILE CA C 65.722 0.2 1 535 54 54 ILE CB C 37.895 0.2 1 536 54 54 ILE CG1 C 29.129 0.2 1 537 54 54 ILE CG2 C 20.14 0.2 1 538 54 54 ILE CD1 C 14.767 0.2 1 539 54 54 ILE N N 119.509 0.026 1 540 55 55 GLU H H 8.357 0.001 1 541 55 55 GLU HA H 4.005 0.02 1 542 55 55 GLU HB2 H 2.156 0.02 1 543 55 55 GLU HB3 H 2.287 0.02 1 544 55 55 GLU HG2 H 2.369 0.02 1 545 55 55 GLU HG3 H 2.417 0.02 1 546 55 55 GLU CA C 60.414 0.2 1 547 55 55 GLU CB C 29.206 0.2 1 548 55 55 GLU CG C 36.221 0.2 1 549 55 55 GLU N N 120.729 0.009 1 550 56 56 LYS H H 7.958 0.002 1 551 56 56 LYS HA H 4.101 0.02 1 552 56 56 LYS HB2 H 1.905 0.02 1 553 56 56 LYS HB3 H 2.045 0.02 1 554 56 56 LYS HG2 H 1.523 0.02 1 555 56 56 LYS HG3 H 1.705 0.02 1 556 56 56 LYS HD2 H 1.726 0.02 1 557 56 56 LYS HD3 H 1.726 0.02 1 558 56 56 LYS HE2 H 3.001 0.02 1 559 56 56 LYS HE3 H 3.001 0.02 1 560 56 56 LYS CA C 59.626 0.2 1 561 56 56 LYS CB C 32.325 0.2 1 562 56 56 LYS CG C 25.538 0.2 1 563 56 56 LYS CD C 29.142 0.2 1 564 56 56 LYS CE C 42.362 0.2 1 565 56 56 LYS N N 118.885 0.03 1 566 57 57 ILE H H 8.066 0.003 1 567 57 57 ILE HA H 3.533 0.02 1 568 57 57 ILE HB H 1.555 0.02 1 569 57 57 ILE HG12 H 0.897 0.02 1 570 57 57 ILE HG13 H 1.583 0.02 1 571 57 57 ILE HG2 H 0.061 0.02 1 572 57 57 ILE HD1 H 0.701 0.02 1 573 57 57 ILE CA C 65.379 0.2 1 574 57 57 ILE CB C 37.83 0.2 1 575 57 57 ILE CG1 C 29.09 0.2 1 576 57 57 ILE CG2 C 16.661 0.2 1 577 57 57 ILE CD1 C 13.508 0.2 1 578 57 57 ILE N N 122.38 0.012 1 579 58 58 LYS H H 8.571 0.001 1 580 58 58 LYS HA H 3.745 0.02 1 581 58 58 LYS HB2 H 1.791 0.02 1 582 58 58 LYS HB3 H 2.218 0.02 1 583 58 58 LYS HG2 H 1.512 0.02 1 584 58 58 LYS HG3 H 1.795 0.02 1 585 58 58 LYS HD2 H 1.56 0.02 1 586 58 58 LYS HD3 H 1.56 0.02 1 587 58 58 LYS HE2 H 2.962 0.02 1 588 58 58 LYS HE3 H 2.962 0.02 1 589 58 58 LYS CA C 60.677 0.2 1 590 58 58 LYS CB C 32.12 0.2 1 591 58 58 LYS CG C 24.556 0.2 1 592 58 58 LYS CD C 29.178 0.2 1 593 58 58 LYS CE C 41.619 0.2 1 594 58 58 LYS N N 121.914 0.025 1 595 59 59 GLU H H 7.967 0.003 1 596 59 59 GLU HA H 4.036 0.02 1 597 59 59 GLU HB2 H 2.169 0.02 1 598 59 59 GLU HB3 H 2.169 0.02 1 599 59 59 GLU HG2 H 2.312 0.02 1 600 59 59 GLU HG3 H 2.481 0.02 1 601 59 59 GLU CA C 59.496 0.2 1 602 59 59 GLU CB C 29.736 0.2 1 603 59 59 GLU CG C 36.333 0.2 1 604 59 59 GLU N N 117.934 0.019 1 605 60 60 LYS H H 7.779 0.001 1 606 60 60 LYS HA H 4.09 0.02 1 607 60 60 LYS HB2 H 1.953 0.02 1 608 60 60 LYS HB3 H 1.953 0.02 1 609 60 60 LYS HG2 H 1.444 0.02 1 610 60 60 LYS HG3 H 1.59 0.02 1 611 60 60 LYS HD2 H 1.726 0.02 1 612 60 60 LYS HD3 H 1.726 0.02 1 613 60 60 LYS HE2 H 3.031 0.02 1 614 60 60 LYS HE3 H 3.031 0.02 1 615 60 60 LYS CA C 59.555 0.2 1 616 60 60 LYS CB C 32.612 0.2 1 617 60 60 LYS CG C 25.201 0.2 1 618 60 60 LYS CD C 29.56 0.2 1 619 60 60 LYS CE C 42.272 0.2 1 620 60 60 LYS N N 120.802 0.013 1 621 61 61 ALA H H 8.751 0.006 1 622 61 61 ALA HA H 4.37 0.02 1 623 61 61 ALA HB H 1.573 0.02 1 624 61 61 ALA CA C 55.294 0.2 1 625 61 61 ALA CB C 18.068 0.2 1 626 61 61 ALA N N 121.63 0.031 1 627 62 62 LEU H H 8.518 0.001 1 628 62 62 LEU HA H 3.95 0.02 1 629 62 62 LEU HB2 H 1.688 0.02 1 630 62 62 LEU HB3 H 1.966 0.02 1 631 62 62 LEU HG H 1.607 0.02 1 632 62 62 LEU HD1 H 0.925 0.02 1 633 62 62 LEU HD2 H 0.963 0.02 1 634 62 62 LEU CA C 58.22 0.2 1 635 62 62 LEU CB C 42.213 0.2 1 636 62 62 LEU CG C 27.175 0.2 1 637 62 62 LEU CD1 C 23.862 0.2 1 638 62 62 LEU CD2 C 25.332 0.2 1 639 62 62 LEU N N 119.312 0.007 1 640 63 63 LYS H H 7.682 0.002 1 641 63 63 LYS HA H 4.058 0.02 1 642 63 63 LYS HB2 H 1.979 0.02 1 643 63 63 LYS HB3 H 1.979 0.02 1 644 63 63 LYS HG2 H 1.481 0.02 1 645 63 63 LYS HG3 H 1.609 0.02 1 646 63 63 LYS HD2 H 1.732 0.02 1 647 63 63 LYS HD3 H 1.732 0.02 1 648 63 63 LYS CA C 58.964 0.2 1 649 63 63 LYS CB C 33.097 0.2 1 650 63 63 LYS CG C 25.236 0.2 1 651 63 63 LYS CD C 29.317 0.2 1 652 63 63 LYS N N 117.438 0.018 1 653 64 64 GLU H H 8.289 0.004 1 654 64 64 GLU HA H 4.115 0.02 1 655 64 64 GLU HB2 H 1.477 0.02 1 656 64 64 GLU HB3 H 1.717 0.02 1 657 64 64 GLU HG2 H 2.073 0.02 1 658 64 64 GLU HG3 H 2.073 0.02 1 659 64 64 GLU CA C 58.102 0.2 1 660 64 64 GLU CB C 30.971 0.2 1 661 64 64 GLU CG C 36.154 0.2 1 662 64 64 GLU N N 116.209 0.02 1 663 65 65 PHE H H 8.542 0.002 1 664 65 65 PHE HA H 4.974 0.02 1 665 65 65 PHE HB2 H 3.068 0.02 1 666 65 65 PHE HB3 H 3.431 0.02 1 667 65 65 PHE HD1 H 7.446 0.02 1 668 65 65 PHE HD2 H 7.446 0.02 1 669 65 65 PHE CA C 58.205 0.2 1 670 65 65 PHE CB C 42.029 0.2 1 671 65 65 PHE CD1 C 132.172 0.2 1 672 65 65 PHE CD2 C 132.172 0.2 1 673 65 65 PHE N N 114.991 0.013 1 674 66 66 GLY H H 8.185 0.001 1 675 66 66 GLY HA2 H 4.162 0.02 1 676 66 66 GLY HA3 H 4.776 0.02 1 677 66 66 GLY CA C 44.894 0.2 1 678 66 66 GLY N N 109.65 0.015 1 679 67 67 LYS H H 8.602 0.001 1 680 67 67 LYS HA H 3.933 0.02 1 681 67 67 LYS HB2 H 1.876 0.02 1 682 67 67 LYS HB3 H 1.932 0.02 1 683 67 67 LYS HG2 H 1.516 0.02 1 684 67 67 LYS HG3 H 1.516 0.02 1 685 67 67 LYS HD2 H 1.742 0.02 1 686 67 67 LYS HD3 H 1.742 0.02 1 687 67 67 LYS HE2 H 3.062 0.02 1 688 67 67 LYS HE3 H 3.062 0.02 1 689 67 67 LYS CA C 59.987 0.2 1 690 67 67 LYS CB C 33.002 0.2 1 691 67 67 LYS CG C 24.767 0.2 1 692 67 67 LYS CD C 29.483 0.2 1 693 67 67 LYS CE C 42.398 0.2 1 694 67 67 LYS N N 119.617 0.006 1 695 68 68 GLU H H 9.025 0 1 696 68 68 GLU HA H 4.152 0.02 1 697 68 68 GLU HB2 H 2.076 0.02 1 698 68 68 GLU HB3 H 2.127 0.02 1 699 68 68 GLU HG2 H 2.402 0.02 1 700 68 68 GLU HG3 H 2.402 0.02 1 701 68 68 GLU CA C 60.021 0.2 1 702 68 68 GLU CB C 28.823 0.2 1 703 68 68 GLU CG C 37.024 0.2 1 704 68 68 GLU N N 118.113 0.005 1 705 69 69 LYS H H 7.58 0.001 1 706 69 69 LYS HA H 4.289 0.02 1 707 69 69 LYS HB2 H 1.912 0.02 1 708 69 69 LYS HB3 H 1.912 0.02 1 709 69 69 LYS HG2 H 1.498 0.02 1 710 69 69 LYS HG3 H 1.498 0.02 1 711 69 69 LYS HD2 H 1.601 0.02 1 712 69 69 LYS HD3 H 1.601 0.02 1 713 69 69 LYS HE2 H 2.854 0.02 1 714 69 69 LYS HE3 H 3.059 0.02 1 715 69 69 LYS CA C 57.211 0.2 1 716 69 69 LYS CB C 32.376 0.2 1 717 69 69 LYS CG C 25.924 0.2 1 718 69 69 LYS CD C 28.509 0.2 1 719 69 69 LYS CE C 42.225 0.2 1 720 69 69 LYS N N 117.151 0.01 1 721 70 70 ALA H H 7.736 0.002 1 722 70 70 ALA HA H 4.31 0.02 1 723 70 70 ALA HB H 1.583 0.02 1 724 70 70 ALA CA C 54.886 0.2 1 725 70 70 ALA CB C 19.387 0.2 1 726 70 70 ALA N N 119.835 0.018 1 727 71 71 GLU H H 7.974 0.001 1 728 71 71 GLU HA H 4.058 0.02 1 729 71 71 GLU HB2 H 2.083 0.02 1 730 71 71 GLU HB3 H 2.182 0.02 1 731 71 71 GLU HG2 H 2.394 0.02 1 732 71 71 GLU HG3 H 2.531 0.02 1 733 71 71 GLU CA C 59.318 0.2 1 734 71 71 GLU CB C 29.66 0.2 1 735 71 71 GLU CG C 36.697 0.2 1 736 71 71 GLU N N 116.446 0.005 1 737 72 72 ILE H H 7.306 0.002 1 738 72 72 ILE HA H 3.723 0.02 1 739 72 72 ILE HB H 1.443 0.02 1 740 72 72 ILE HG13 H 1.282 0.02 1 741 72 72 ILE HG2 H 0.051 0.02 1 742 72 72 ILE HD1 H 0.73 0.02 1 743 72 72 ILE CA C 63.801 0.2 1 744 72 72 ILE CB C 37.745 0.2 1 745 72 72 ILE CG1 C 28.174 0.2 1 746 72 72 ILE CG2 C 16.08 0.2 1 747 72 72 ILE CD1 C 13.766 0.2 1 748 72 72 ILE N N 119.463 0.032 1 749 73 73 PHE H H 6.851 0.005 1 750 73 73 PHE HA H 4.187 0.02 1 751 73 73 PHE HB2 H 2.646 0.02 1 752 73 73 PHE HB3 H 3.219 0.02 1 753 73 73 PHE HD1 H 7.015 0.02 1 754 73 73 PHE HD2 H 7.015 0.02 1 755 73 73 PHE CA C 60.698 0.2 1 756 73 73 PHE CB C 38.637 0.2 1 757 73 73 PHE CD1 C 130.915 0.2 1 758 73 73 PHE CD2 C 130.915 0.2 1 759 73 73 PHE N N 115.968 0.029 1 760 74 74 GLU H H 8.066 0.001 1 761 74 74 GLU HA H 4.204 0.02 1 762 74 74 GLU HB2 H 2.187 0.02 1 763 74 74 GLU HB3 H 2.187 0.02 1 764 74 74 GLU HG2 H 2.345 0.02 1 765 74 74 GLU HG3 H 2.422 0.02 1 766 74 74 GLU CA C 59.631 0.2 1 767 74 74 GLU CB C 29.243 0.2 1 768 74 74 GLU CG C 36.114 0.2 1 769 74 74 GLU N N 120.904 0.017 1 770 75 75 ALA H H 7.624 0.003 1 771 75 75 ALA HA H 4.301 0.02 1 772 75 75 ALA HB H 1.598 0.02 1 773 75 75 ALA CA C 55.336 0.2 1 774 75 75 ALA CB C 17.649 0.2 1 775 75 75 ALA N N 121.486 0.015 1 776 76 76 HIS H H 8.054 0.002 1 777 76 76 HIS HA H 4.184 0.02 1 778 76 76 HIS HB2 H 3.123 0.02 1 779 76 76 HIS HB3 H 3.568 0.02 1 780 76 76 HIS CA C 60.213 0.2 1 781 76 76 HIS CB C 32.138 0.2 1 782 76 76 HIS N N 117.654 0.01 1 783 77 77 LEU H H 8.224 0.003 1 784 77 77 LEU HA H 4.094 0.02 1 785 77 77 LEU HB2 H 1.873 0.02 1 786 77 77 LEU HB3 H 1.873 0.02 1 787 77 77 LEU HG H 1.806 0.02 1 788 77 77 LEU HD1 H 1.006 0.02 1 789 77 77 LEU HD2 H 1.122 0.02 1 790 77 77 LEU CA C 58.176 0.2 1 791 77 77 LEU CB C 41.801 0.2 1 792 77 77 LEU CG C 27.28 0.2 1 793 77 77 LEU CD1 C 24.984 0.2 1 794 77 77 LEU CD2 C 20.091 0.2 1 795 77 77 LEU N N 119.083 0.014 1 796 78 78 MET H H 7.98 0.003 1 797 78 78 MET HA H 4.198 0.02 1 798 78 78 MET HB2 H 2.314 0.02 1 799 78 78 MET HB3 H 2.314 0.02 1 800 78 78 MET HG2 H 2.671 0.02 1 801 78 78 MET HG3 H 2.846 0.02 1 802 78 78 MET HE H 1.593 0.02 1 803 78 78 MET CA C 58.761 0.2 1 804 78 78 MET CB C 32.476 0.2 1 805 78 78 MET CG C 32.099 0.2 1 806 78 78 MET CE C 17.633 0.2 1 807 78 78 MET N N 119.75 0.011 1 808 79 79 LEU H H 8.103 0.003 1 809 79 79 LEU HA H 4.232 0.02 1 810 79 79 LEU HB2 H 1.425 0.02 1 811 79 79 LEU HB3 H 2.112 0.02 1 812 79 79 LEU HG H 2.029 0.02 1 813 79 79 LEU HD1 H 0.976 0.02 1 814 79 79 LEU HD2 H 0.811 0.02 1 815 79 79 LEU CA C 58.084 0.2 1 816 79 79 LEU CB C 42.068 0.2 1 817 79 79 LEU CG C 26.891 0.2 1 818 79 79 LEU CD1 C 22.776 0.2 1 819 79 79 LEU CD2 C 26.659 0.2 1 820 79 79 LEU N N 120.66 0.014 1 821 80 80 ALA H H 8.099 0.003 1 822 80 80 ALA HA H 4.051 0.02 1 823 80 80 ALA HB H 1.462 0.02 1 824 80 80 ALA CA C 53.365 0.2 1 825 80 80 ALA CB C 18.339 0.2 1 826 80 80 ALA N N 116.09 0.025 1 827 81 81 SER H H 7.289 0.002 1 828 81 81 SER HA H 4.584 0.02 1 829 81 81 SER HB2 H 3.944 0.02 1 830 81 81 SER HB3 H 4.013 0.02 1 831 81 81 SER CA C 56.937 0.2 1 832 81 81 SER CB C 64.281 0.2 1 833 81 81 SER N N 107.587 0.016 1 834 82 82 ASP H H 7.119 0.003 1 835 82 82 ASP HA H 4.833 0.02 1 836 82 82 ASP HB2 H 2.996 0.02 1 837 82 82 ASP HB3 H 3.073 0.02 1 838 82 82 ASP CA C 52.205 0.2 1 839 82 82 ASP CB C 43.017 0.2 1 840 82 82 ASP N N 124.938 0.014 1 841 83 83 PRO HA H 4.354 0.02 1 842 83 83 PRO HB2 H 2.082 0.02 1 843 83 83 PRO HB3 H 2.483 0.02 1 844 83 83 PRO HG2 H 2.142 0.02 1 845 83 83 PRO HG3 H 2.193 0.02 1 846 83 83 PRO CA C 65.208 0.2 1 847 83 83 PRO CB C 32.496 0.2 1 848 83 83 PRO CG C 27.634 0.2 1 849 84 84 GLU H H 8.482 0.002 1 850 84 84 GLU HA H 4.158 0.02 1 851 84 84 GLU HB2 H 2.072 0.02 1 852 84 84 GLU HB3 H 2.143 0.02 1 853 84 84 GLU HG2 H 2.274 0.02 1 854 84 84 GLU HG3 H 2.423 0.02 1 855 84 84 GLU CA C 59.361 0.2 1 856 84 84 GLU CB C 29.505 0.2 1 857 84 84 GLU CG C 37.15 0.2 1 858 84 84 GLU N N 116.987 0.014 1 859 85 85 LEU H H 7.605 0.001 1 860 85 85 LEU HA H 4.131 0.02 1 861 85 85 LEU HB2 H 1.829 0.02 1 862 85 85 LEU HB3 H 2.213 0.02 1 863 85 85 LEU HG H 1.612 0.02 1 864 85 85 LEU HD1 H 0.97 0.02 1 865 85 85 LEU HD2 H 1.009 0.02 1 866 85 85 LEU CA C 58.482 0.2 1 867 85 85 LEU CB C 41.869 0.2 1 868 85 85 LEU CG C 27.968 0.2 1 869 85 85 LEU CD1 C 24.405 0.2 1 870 85 85 LEU CD2 C 24.95 0.2 1 871 85 85 LEU N N 123.784 0.014 1 872 86 86 ILE H H 7.54 0.002 1 873 86 86 ILE HA H 3.672 0.02 1 874 86 86 ILE HB H 1.836 0.02 1 875 86 86 ILE HG12 H 1.056 0.02 1 876 86 86 ILE HG13 H 1.843 0.02 1 877 86 86 ILE HG2 H 1.049 0.02 1 878 86 86 ILE HD1 H 0.854 0.02 1 879 86 86 ILE CA C 66.526 0.2 1 880 86 86 ILE CB C 39.061 0.2 1 881 86 86 ILE CG1 C 29.884 0.2 1 882 86 86 ILE CG2 C 17.515 0.2 1 883 86 86 ILE CD1 C 13.975 0.2 1 884 86 86 ILE N N 118.225 0.013 1 885 87 87 GLU H H 8.383 0.003 1 886 87 87 GLU HA H 4.11 0.02 1 887 87 87 GLU HB2 H 2.02 0.02 1 888 87 87 GLU HB3 H 2.122 0.02 1 889 87 87 GLU HG2 H 2.34 0.02 1 890 87 87 GLU HG3 H 2.415 0.02 1 891 87 87 GLU CA C 59.184 0.2 1 892 87 87 GLU CB C 29.596 0.2 1 893 87 87 GLU CG C 36.361 0.2 1 894 87 87 GLU N N 117.287 0.009 1 895 88 88 GLY H H 7.836 0.001 1 896 88 88 GLY HA2 H 3.813 0.02 1 897 88 88 GLY HA3 H 3.9 0.02 1 898 88 88 GLY CA C 47.245 0.2 1 899 88 88 GLY N N 106.285 0.008 1 900 89 89 VAL H H 8.24 0.003 1 901 89 89 VAL HA H 3.338 0.02 1 902 89 89 VAL HB H 1.659 0.02 1 903 89 89 VAL HG1 H -0.215 0.02 1 904 89 89 VAL HG2 H 0.812 0.02 1 905 89 89 VAL CA C 67.186 0.2 1 906 89 89 VAL CB C 32.021 0.2 1 907 89 89 VAL CG1 C 19.548 0.2 1 908 89 89 VAL CG2 C 22.901 0.2 1 909 89 89 VAL N N 122.97 0.014 1 910 90 90 GLU H H 8.246 0.001 1 911 90 90 GLU HA H 3.68 0.02 1 912 90 90 GLU HB2 H 2.013 0.02 1 913 90 90 GLU HB3 H 2.132 0.02 1 914 90 90 GLU HG2 H 2.151 0.02 1 915 90 90 GLU HG3 H 3.078 0.02 1 916 90 90 GLU CA C 61.5 0.2 1 917 90 90 GLU CB C 29.284 0.2 1 918 90 90 GLU CG C 38.106 0.2 1 919 90 90 GLU N N 117.959 0.048 1 920 91 91 ASN H H 8.754 0.001 1 921 91 91 ASN HA H 4.499 0.02 1 922 91 91 ASN HB2 H 2.801 0.02 1 923 91 91 ASN HB3 H 3 0.02 1 924 91 91 ASN CA C 56.389 0.2 1 925 91 91 ASN CB C 38.604 0.2 1 926 91 91 ASN N N 114.869 0.012 1 927 92 92 MET H H 7.861 0.004 1 928 92 92 MET HA H 4.17 0.02 1 929 92 92 MET HB2 H 2.252 0.02 1 930 92 92 MET HB3 H 2.04 0.02 1 931 92 92 MET HG2 H 2.363 0.02 1 932 92 92 MET HG3 H 2.438 0.02 1 933 92 92 MET HE H 2.004 0.02 1 934 92 92 MET CA C 59.496 0.2 1 935 92 92 MET CB C 32.175 0.2 1 936 92 92 MET CG C 32.191 0.2 1 937 92 92 MET CE C 17.181 0.2 1 938 92 92 MET N N 122.646 0.023 1 939 93 93 ILE H H 8.052 0.006 1 940 93 93 ILE HA H 3.642 0.02 1 941 93 93 ILE HB H 1.849 0.02 1 942 93 93 ILE HG12 H 0.884 0.02 1 943 93 93 ILE HG13 H 1.681 0.02 1 944 93 93 ILE HG2 H 1.164 0.02 1 945 93 93 ILE HD1 H 0.673 0.02 1 946 93 93 ILE CA C 66.944 0.2 1 947 93 93 ILE CB C 39.178 0.2 1 948 93 93 ILE CG1 C 28.136 0.2 1 949 93 93 ILE CG2 C 17.093 0.2 1 950 93 93 ILE CD1 C 14.655 0.2 1 951 93 93 ILE N N 119.838 0.026 1 952 94 94 LYS H H 7.605 0.002 1 953 94 94 LYS HA H 4.087 0.02 1 954 94 94 LYS HB2 H 1.927 0.02 1 955 94 94 LYS HB3 H 1.927 0.02 1 956 94 94 LYS HG2 H 1.551 0.02 1 957 94 94 LYS HG3 H 1.685 0.02 1 958 94 94 LYS HD2 H 1.736 0.02 1 959 94 94 LYS HD3 H 1.736 0.02 1 960 94 94 LYS HE2 H 2.938 0.02 1 961 94 94 LYS HE3 H 2.938 0.02 1 962 94 94 LYS CA C 59.703 0.2 1 963 94 94 LYS CB C 33.904 0.2 1 964 94 94 LYS CG C 25.675 0.2 1 965 94 94 LYS CD C 29.788 0.2 1 966 94 94 LYS CE C 42.077 0.2 1 967 94 94 LYS N N 112.987 0.024 1 968 95 95 THR H H 8.295 0.002 1 969 95 95 THR HA H 4.275 0.02 1 970 95 95 THR HB H 4.223 0.02 1 971 95 95 THR HG2 H 1.337 0.02 1 972 95 95 THR CA C 64.757 0.2 1 973 95 95 THR CB C 70.151 0.2 1 974 95 95 THR CG2 C 21.703 0.2 1 975 95 95 THR N N 109.097 0.014 1 976 96 96 GLU H H 8.386 0.002 1 977 96 96 GLU HA H 4.458 0.02 1 978 96 96 GLU HB2 H 1.972 0.02 1 979 96 96 GLU HB3 H 2.236 0.02 1 980 96 96 GLU HG2 H 2.197 0.02 1 981 96 96 GLU HG3 H 2.394 0.02 1 982 96 96 GLU CA C 56.376 0.2 1 983 96 96 GLU CB C 30.415 0.2 1 984 96 96 GLU CG C 37.002 0.2 1 985 96 96 GLU N N 119.544 0.016 1 986 97 97 LEU H H 7.671 0.002 1 987 97 97 LEU HA H 4.11 0.02 1 988 97 97 LEU HB2 H 1.823 0.02 1 989 97 97 LEU HB3 H 2.102 0.02 1 990 97 97 LEU HG H 1.438 0.02 1 991 97 97 LEU HD1 H 0.819 0.02 1 992 97 97 LEU HD2 H 0.967 0.02 1 993 97 97 LEU CA C 55.953 0.2 1 994 97 97 LEU CB C 37.031 0.2 1 995 97 97 LEU CG C 26.964 0.2 1 996 97 97 LEU CD1 C 23.825 0.2 1 997 97 97 LEU CD2 C 26.265 0.2 1 998 97 97 LEU N N 117.407 0.016 1 999 98 98 VAL H H 6.464 0.002 1 1000 98 98 VAL HA H 4.792 0.02 1 1001 98 98 VAL HG1 H 0.64 0.02 1 1002 98 98 VAL HG2 H 0.808 0.02 1 1003 98 98 VAL CA C 57.82 0.2 1 1004 98 98 VAL CG1 C 18.338 0.2 1 1005 98 98 VAL CG2 C 22.352 0.2 1 1006 98 98 VAL N N 107.246 0.016 1 1007 99 99 THR H H 8.818 0.003 1 1008 99 99 THR HA H 4.079 0.02 1 1009 99 99 THR HB H 4.626 0.02 1 1010 99 99 THR HG2 H 1.275 0.02 1 1011 99 99 THR CA C 61.226 0.2 1 1012 99 99 THR CB C 71.231 0.2 1 1013 99 99 THR CG2 C 23.817 0.2 1 1014 99 99 THR N N 106.461 0.01 1 1015 100 100 ALA H H 10.627 0.002 1 1016 100 100 ALA HA H 3.919 0.02 1 1017 100 100 ALA HB H 1.683 0.02 1 1018 100 100 ALA CA C 55.605 0.2 1 1019 100 100 ALA CB C 19.478 0.2 1 1020 100 100 ALA N N 121.821 0.017 1 1021 101 101 ASP H H 9.276 0.002 1 1022 101 101 ASP HA H 4.012 0.02 1 1023 101 101 ASP HB2 H 2.543 0.02 1 1024 101 101 ASP HB3 H 2.543 0.02 1 1025 101 101 ASP CA C 56.633 0.2 1 1026 101 101 ASP CB C 39.756 0.2 1 1027 101 101 ASP N N 111.51 0.012 1 1028 102 102 ASN H H 7.13 0.003 1 1029 102 102 ASN HA H 4.344 0.02 1 1030 102 102 ASN HB2 H 2.917 0.02 1 1031 102 102 ASN HB3 H 3.188 0.02 1 1032 102 102 ASN CA C 55.184 0.2 1 1033 102 102 ASN CB C 38.606 0.2 1 1034 102 102 ASN N N 119.233 0.024 1 1035 103 103 ALA H H 8.644 0.002 1 1036 103 103 ALA HA H 4.092 0.02 1 1037 103 103 ALA HB H 1.355 0.02 1 1038 103 103 ALA CA C 55.484 0.2 1 1039 103 103 ALA CB C 20.473 0.2 1 1040 103 103 ALA N N 119.517 0.011 1 1041 104 104 VAL H H 8.593 0.002 1 1042 104 104 VAL HA H 3.387 0.02 1 1043 104 104 VAL HB H 2.017 0.02 1 1044 104 104 VAL HG1 H 1.007 0.02 1 1045 104 104 VAL HG2 H 1.156 0.02 1 1046 104 104 VAL CA C 67.225 0.2 1 1047 104 104 VAL CB C 31.862 0.2 1 1048 104 104 VAL CG1 C 22.699 0.2 1 1049 104 104 VAL CG2 C 25.499 0.2 1 1050 104 104 VAL N N 115.354 0.012 1 1051 105 105 ASN H H 7.675 0.002 1 1052 105 105 ASN HA H 4.258 0.02 1 1053 105 105 ASN HB2 H 2.798 0.02 1 1054 105 105 ASN HB3 H 3.078 0.02 1 1055 105 105 ASN CA C 57.844 0.2 1 1056 105 105 ASN CB C 40.236 0.2 1 1057 105 105 ASN N N 116.076 0.011 1 1058 106 106 LYS H H 8.687 0.003 1 1059 106 106 LYS HA H 4.005 0.02 1 1060 106 106 LYS HB2 H 1.748 0.02 1 1061 106 106 LYS HB3 H 1.921 0.02 1 1062 106 106 LYS HG2 H 1.438 0.02 1 1063 106 106 LYS HG3 H 1.701 0.02 1 1064 106 106 LYS HD2 H 1.643 0.02 1 1065 106 106 LYS HD3 H 1.643 0.02 1 1066 106 106 LYS HE2 H 3.013 0.02 1 1067 106 106 LYS HE3 H 3.013 0.02 1 1068 106 106 LYS CA C 59.964 0.2 1 1069 106 106 LYS CB C 33.084 0.2 1 1070 106 106 LYS CG C 25.499 0.2 1 1071 106 106 LYS CD C 29.261 0.2 1 1072 106 106 LYS CE C 42.009 0.2 1 1073 106 106 LYS N N 116.99 0.014 1 1074 107 107 VAL H H 8.594 0.001 1 1075 107 107 VAL HA H 3.616 0.02 1 1076 107 107 VAL HB H 1.961 0.02 1 1077 107 107 VAL HG1 H 0.953 0.02 1 1078 107 107 VAL HG2 H 0.947 0.02 1 1079 107 107 VAL CA C 67.002 0.2 1 1080 107 107 VAL CB C 31.848 0.2 1 1081 107 107 VAL CG1 C 21.643 0.2 1 1082 107 107 VAL CG2 C 23.305 0.2 1 1083 107 107 VAL N N 121.113 0.019 1 1084 108 108 ILE H H 8.642 0.003 1 1085 108 108 ILE HA H 3.694 0.02 1 1086 108 108 ILE HB H 2.382 0.02 1 1087 108 108 ILE HG12 H 1.433 0.02 1 1088 108 108 ILE HG13 H 1.801 0.02 1 1089 108 108 ILE HG2 H 0.877 0.02 1 1090 108 108 ILE HD1 H 0.794 0.02 1 1091 108 108 ILE CA C 63.516 0.2 1 1092 108 108 ILE CB C 35.139 0.2 1 1093 108 108 ILE CG1 C 28.416 0.2 1 1094 108 108 ILE CG2 C 17.77 0.2 1 1095 108 108 ILE CD1 C 10.808 0.2 1 1096 108 108 ILE N N 120.034 0.014 1 1097 109 109 GLU H H 8.134 0.002 1 1098 109 109 GLU HA H 4.044 0.02 1 1099 109 109 GLU HB2 H 2.07 0.02 1 1100 109 109 GLU HB3 H 2.208 0.02 1 1101 109 109 GLU HG2 H 2.318 0.02 1 1102 109 109 GLU HG3 H 2.425 0.02 1 1103 109 109 GLU CA C 59.633 0.2 1 1104 109 109 GLU CB C 29.327 0.2 1 1105 109 109 GLU CG C 35.957 0.2 1 1106 109 109 GLU N N 118.21 0.015 1 1107 110 110 GLN H H 8.265 0.001 1 1108 110 110 GLN HA H 4.105 0.02 1 1109 110 110 GLN HB2 H 2.153 0.02 1 1110 110 110 GLN HB3 H 2.266 0.02 1 1111 110 110 GLN HG2 H 2.448 0.02 1 1112 110 110 GLN HG3 H 2.511 0.02 1 1113 110 110 GLN CA C 59.152 0.2 1 1114 110 110 GLN CB C 28.563 0.2 1 1115 110 110 GLN CG C 33.948 0.2 1 1116 110 110 GLN N N 119.58 0.015 1 1117 111 111 ASN H H 8.412 0.001 1 1118 111 111 ASN HA H 4.451 0.02 1 1119 111 111 ASN HB2 H 2.666 0.02 1 1120 111 111 ASN HB3 H 2.85 0.02 1 1121 111 111 ASN CA C 56.24 0.2 1 1122 111 111 ASN CB C 38.236 0.2 1 1123 111 111 ASN N N 118.795 0.014 1 1124 112 112 ALA H H 9.339 0.002 1 1125 112 112 ALA HA H 4.166 0.02 1 1126 112 112 ALA HB H 1.454 0.02 1 1127 112 112 ALA CA C 55.657 0.2 1 1128 112 112 ALA CB C 18.092 0.2 1 1129 112 112 ALA N N 123.457 0.014 1 1130 113 113 SER H H 8.107 0.001 1 1131 113 113 SER HA H 4.36 0.02 1 1132 113 113 SER HB2 H 4.061 0.02 1 1133 113 113 SER HB3 H 4.061 0.02 1 1134 113 113 SER CA C 62.047 0.2 1 1135 113 113 SER CB C 62.802 0.2 1 1136 113 113 SER N N 112.72 0.023 1 1137 114 114 VAL H H 7.556 0.002 1 1138 114 114 VAL HA H 3.774 0.02 1 1139 114 114 VAL HB H 2.22 0.02 1 1140 114 114 VAL HG1 H 0.972 0.02 1 1141 114 114 VAL HG2 H 1.149 0.02 1 1142 114 114 VAL CA C 66.491 0.2 1 1143 114 114 VAL CB C 31.853 0.2 1 1144 114 114 VAL CG1 C 20.995 0.2 1 1145 114 114 VAL CG2 C 22.673 0.2 1 1146 114 114 VAL N N 122.471 0.015 1 1147 115 115 MET H H 7.681 0.001 1 1148 115 115 MET HA H 3.997 0.02 1 1149 115 115 MET HB2 H 2.235 0.02 1 1150 115 115 MET HB3 H 2.352 0.02 1 1151 115 115 MET HG2 H 2.588 0.02 1 1152 115 115 MET HG3 H 2.843 0.02 1 1153 115 115 MET HE H 2.051 0.02 1 1154 115 115 MET CA C 60.096 0.2 1 1155 115 115 MET CB C 34.054 0.2 1 1156 115 115 MET CG C 33.099 0.2 1 1157 115 115 MET CE C 17.708 0.2 1 1158 115 115 MET N N 119.619 0.009 1 1159 116 116 GLU H H 8.191 0.002 1 1160 116 116 GLU HA H 3.999 0.02 1 1161 116 116 GLU HB2 H 2.065 0.02 1 1162 116 116 GLU HB3 H 2.246 0.02 1 1163 116 116 GLU HG2 H 2.366 0.02 1 1164 116 116 GLU HG3 H 2.461 0.02 1 1165 116 116 GLU CA C 58.377 0.2 1 1166 116 116 GLU CB C 29.563 0.2 1 1167 116 116 GLU CG C 36.912 0.2 1 1168 116 116 GLU N N 115.059 0.012 1 1169 117 117 SER H H 7.795 0.002 1 1170 117 117 SER HA H 4.528 0.02 1 1171 117 117 SER HB2 H 4.097 0.02 1 1172 117 117 SER HB3 H 4.097 0.02 1 1173 117 117 SER CA C 59.826 0.2 1 1174 117 117 SER CB C 64.173 0.2 1 1175 117 117 SER N N 114.658 0.014 1 1176 118 118 LEU H H 7.064 0.001 1 1177 118 118 LEU HA H 4.38 0.02 1 1178 118 118 LEU HB2 H 1.685 0.02 1 1179 118 118 LEU HB3 H 1.875 0.02 1 1180 118 118 LEU HG H 1.951 0.02 1 1181 118 118 LEU HD1 H 0.893 0.02 1 1182 118 118 LEU HD2 H 0.976 0.02 1 1183 118 118 LEU CA C 55.396 0.2 1 1184 118 118 LEU CB C 42.253 0.2 1 1185 118 118 LEU CG C 26.76 0.2 1 1186 118 118 LEU CD1 C 22.611 0.2 1 1187 118 118 LEU CD2 C 26.141 0.2 1 1188 118 118 LEU N N 121.623 0.011 1 1189 119 119 ASN H H 8.228 0.002 1 1190 119 119 ASN HA H 4.519 0.02 1 1191 119 119 ASN HB2 H 2.783 0.02 1 1192 119 119 ASN HB3 H 3.078 0.02 1 1193 119 119 ASN CA C 54.03 0.2 1 1194 119 119 ASN CB C 37.627 0.2 1 1195 119 119 ASN N N 116.322 0.003 1 1196 120 120 ASP H H 7.861 0.002 1 1197 120 120 ASP HA H 4.878 0.02 1 1198 120 120 ASP HB2 H 2.538 0.02 1 1199 120 120 ASP HB3 H 2.738 0.02 1 1200 120 120 ASP CA C 53.544 0.2 1 1201 120 120 ASP CB C 44.295 0.2 1 1202 120 120 ASP N N 118.844 0.014 1 1203 121 121 GLU H H 9.184 0.003 1 1204 121 121 GLU HA H 4 0.02 1 1205 121 121 GLU HB2 H 2.089 0.02 1 1206 121 121 GLU HB3 H 2.089 0.02 1 1207 121 121 GLU HG2 H 2.36 0.02 1 1208 121 121 GLU HG3 H 2.36 0.02 1 1209 121 121 GLU CA C 60.195 0.2 1 1210 121 121 GLU CB C 29.721 0.2 1 1211 121 121 GLU CG C 36.205 0.2 1 1212 121 121 GLU N N 127.584 0.011 1 1213 122 122 TYR H H 8.271 0.002 1 1214 122 122 TYR HA H 4.419 0.02 1 1215 122 122 TYR HB2 H 3.238 0.02 1 1216 122 122 TYR HB3 H 3.238 0.02 1 1217 122 122 TYR CA C 61.017 0.2 1 1218 122 122 TYR CB C 37.712 0.2 1 1219 122 122 TYR N N 119.83 0.03 1 1220 123 123 LEU H H 8.071 0.002 1 1221 123 123 LEU HA H 4.04 0.02 1 1222 123 123 LEU HB2 H 1.564 0.02 1 1223 123 123 LEU HB3 H 1.884 0.02 1 1224 123 123 LEU HG H 1.784 0.02 1 1225 123 123 LEU HD1 H 0.953 0.02 1 1226 123 123 LEU HD2 H 1.065 0.02 1 1227 123 123 LEU CA C 57.212 0.2 1 1228 123 123 LEU CB C 41.91 0.2 1 1229 123 123 LEU CG C 27.416 0.2 1 1230 123 123 LEU CD1 C 22.91 0.2 1 1231 123 123 LEU CD2 C 26.546 0.2 1 1232 123 123 LEU N N 120.407 0.013 1 1233 124 124 LYS H H 8.041 0.003 1 1234 124 124 LYS HA H 3.937 0.02 1 1235 124 124 LYS HB2 H 2.019 0.02 1 1236 124 124 LYS HB3 H 2.019 0.02 1 1237 124 124 LYS HG2 H 1.522 0.02 1 1238 124 124 LYS HG3 H 1.67 0.02 1 1239 124 124 LYS HD2 H 1.774 0.02 1 1240 124 124 LYS HD3 H 1.774 0.02 1 1241 124 124 LYS HE2 H 3.061 0.02 1 1242 124 124 LYS HE3 H 3.061 0.02 1 1243 124 124 LYS CA C 60.364 0.2 1 1244 124 124 LYS CB C 32.279 0.2 1 1245 124 124 LYS CG C 25.717 0.2 1 1246 124 124 LYS CD C 29.59 0.2 1 1247 124 124 LYS CE C 42.445 0.2 1 1248 124 124 LYS N N 119.265 0.02 1 1249 125 125 GLU H H 7.584 0.003 1 1250 125 125 GLU HA H 4.115 0.02 1 1251 125 125 GLU HB2 H 2.156 0.02 1 1252 125 125 GLU HB3 H 2.156 0.02 1 1253 125 125 GLU HG2 H 2.326 0.02 1 1254 125 125 GLU HG3 H 2.544 0.02 1 1255 125 125 GLU CA C 59.159 0.2 1 1256 125 125 GLU CB C 29.055 0.2 1 1257 125 125 GLU CG C 36.421 0.2 1 1258 125 125 GLU N N 118.567 0.021 1 1259 126 126 ARG H H 7.909 0.001 1 1260 126 126 ARG HA H 4.237 0.02 1 1261 126 126 ARG HB2 H 1.939 0.02 1 1262 126 126 ARG HB3 H 1.939 0.02 1 1263 126 126 ARG HG2 H 1.625 0.02 1 1264 126 126 ARG HG3 H 1.625 0.02 1 1265 126 126 ARG HD2 H 3.17 0.02 1 1266 126 126 ARG HD3 H 3.17 0.02 1 1267 126 126 ARG CA C 58.442 0.2 1 1268 126 126 ARG CB C 30.514 0.2 1 1269 126 126 ARG CG C 26.832 0.2 1 1270 126 126 ARG CD C 43.818 0.2 1 1271 126 126 ARG N N 119.775 0.016 1 1272 127 127 ALA H H 8.034 0.003 1 1273 127 127 ALA HA H 4.058 0.02 1 1274 127 127 ALA HB H 1.674 0.02 1 1275 127 127 ALA CA C 55.575 0.2 1 1276 127 127 ALA CB C 19.207 0.2 1 1277 127 127 ALA N N 122.311 0.015 1 1278 128 128 VAL H H 7.296 0.001 1 1279 128 128 VAL HA H 3.607 0.02 1 1280 128 128 VAL HB H 2.36 0.02 1 1281 128 128 VAL HG1 H 1.034 0.02 1 1282 128 128 VAL HG2 H 1.164 0.02 1 1283 128 128 VAL CA C 66.49 0.2 1 1284 128 128 VAL CB C 31.734 0.2 1 1285 128 128 VAL CG1 C 21.582 0.2 1 1286 128 128 VAL CG2 C 22.527 0.2 1 1287 128 128 VAL N N 117.954 0.01 1 1288 129 129 ASP H H 7.466 0.001 1 1289 129 129 ASP HA H 4.195 0.02 1 1290 129 129 ASP HB2 H 2.113 0.02 1 1291 129 129 ASP HB3 H 2.782 0.02 1 1292 129 129 ASP CA C 57.701 0.2 1 1293 129 129 ASP CB C 40.665 0.2 1 1294 129 129 ASP N N 120.794 0.009 1 1295 130 130 LEU H H 8.64 0.002 1 1296 130 130 LEU HA H 3.941 0.02 1 1297 130 130 LEU HB2 H 1.581 0.02 1 1298 130 130 LEU HB3 H 2.001 0.02 1 1299 130 130 LEU HG H 1.02 0.02 1 1300 130 130 LEU HD1 H 1.465 0.02 1 1301 130 130 LEU HD2 H 1.003 0.02 1 1302 130 130 LEU CA C 58.157 0.2 1 1303 130 130 LEU CB C 41.832 0.2 1 1304 130 130 LEU CG C 27.03 0.2 1 1305 130 130 LEU CD1 C 18.051 0.2 1 1306 130 130 LEU CD2 C 23.865 0.2 1 1307 130 130 LEU N N 120.425 0.018 1 1308 131 131 ARG H H 8.03 0.005 1 1309 131 131 ARG HA H 3.945 0.02 1 1310 131 131 ARG HB2 H 1.907 0.02 1 1311 131 131 ARG HB3 H 1.907 0.02 1 1312 131 131 ARG HG2 H 1.744 0.02 1 1313 131 131 ARG HG3 H 1.744 0.02 1 1314 131 131 ARG CA C 60.513 0.2 1 1315 131 131 ARG CB C 29.721 0.2 1 1316 131 131 ARG CG C 27.074 0.2 1 1317 131 131 ARG N N 117.69 0.023 1 1318 132 132 ASP H H 7.969 0.002 1 1319 132 132 ASP HA H 4.504 0.02 1 1320 132 132 ASP HB2 H 2.899 0.02 1 1321 132 132 ASP HB3 H 2.899 0.02 1 1322 132 132 ASP CA C 57.921 0.2 1 1323 132 132 ASP CB C 41.607 0.2 1 1324 132 132 ASP N N 121.748 0.009 1 1325 133 133 VAL H H 8.488 0.004 1 1326 133 133 VAL HA H 3.692 0.02 1 1327 133 133 VAL HB H 2.22 0.02 1 1328 133 133 VAL HG1 H 1.073 0.02 1 1329 133 133 VAL HG2 H 0.912 0.02 1 1330 133 133 VAL CA C 67.305 0.2 1 1331 133 133 VAL CB C 31.875 0.2 1 1332 133 133 VAL CG1 C 24.068 0.2 1 1333 133 133 VAL CG2 C 20.876 0.2 1 1334 133 133 VAL N N 121.68 0.023 1 1335 134 134 GLY H H 9.061 0.002 1 1336 134 134 GLY HA2 H 3.578 0.02 1 1337 134 134 GLY HA3 H 3.838 0.02 1 1338 134 134 GLY CA C 48.446 0.2 1 1339 134 134 GLY N N 106.809 0.018 1 1340 135 135 ASN H H 8.269 0.001 1 1341 135 135 ASN HA H 4.485 0.02 1 1342 135 135 ASN HB2 H 2.969 0.02 1 1343 135 135 ASN HB3 H 2.969 0.02 1 1344 135 135 ASN CA C 56.942 0.2 1 1345 135 135 ASN CB C 38.879 0.2 1 1346 135 135 ASN N N 118.786 0.012 1 1347 136 136 ARG H H 7.94 0.002 1 1348 136 136 ARG HA H 4.151 0.02 1 1349 136 136 ARG HB2 H 2.066 0.02 1 1350 136 136 ARG HB3 H 2.12 0.02 1 1351 136 136 ARG HG2 H 1.723 0.02 1 1352 136 136 ARG HG3 H 1.953 0.02 1 1353 136 136 ARG CA C 59.728 0.2 1 1354 136 136 ARG CB C 30.544 0.2 1 1355 136 136 ARG CG C 27.947 0.2 1 1356 136 136 ARG N N 120.819 0.011 1 1357 137 137 ILE H H 8.422 0.002 1 1358 137 137 ILE HA H 3.855 0.02 1 1359 137 137 ILE HB H 2.22 0.02 1 1360 137 137 ILE HG12 H 0.937 0.02 1 1361 137 137 ILE HG13 H 2.384 0.02 1 1362 137 137 ILE HG2 H 1.077 0.02 1 1363 137 137 ILE HD1 H 0.981 0.02 1 1364 137 137 ILE CA C 66.189 0.2 1 1365 137 137 ILE CB C 38.47 0.2 1 1366 137 137 ILE CG1 C 29.306 0.2 1 1367 137 137 ILE CG2 C 18.289 0.2 1 1368 137 137 ILE CD1 C 14.535 0.2 1 1369 137 137 ILE N N 119.021 0.016 1 1370 138 138 ILE H H 8.341 0.002 1 1371 138 138 ILE HA H 3.63 0.02 1 1372 138 138 ILE HG12 H 1.019 0.02 1 1373 138 138 ILE HG13 H 1.976 0.02 1 1374 138 138 ILE HG2 H 0.93 0.02 1 1375 138 138 ILE HD1 H 0.922 0.02 1 1376 138 138 ILE CA C 66.684 0.2 1 1377 138 138 ILE CG1 C 30.576 0.2 1 1378 138 138 ILE CG2 C 18.762 0.2 1 1379 138 138 ILE CD1 C 13.749 0.2 1 1380 138 138 ILE N N 119.631 0.012 1 1381 139 139 GLU H H 8.761 0.003 1 1382 139 139 GLU HA H 3.813 0.02 1 1383 139 139 GLU HB2 H 2.223 0.02 1 1384 139 139 GLU HB3 H 2.223 0.02 1 1385 139 139 GLU HG2 H 2.048 0.02 1 1386 139 139 GLU HG3 H 2.77 0.02 1 1387 139 139 GLU CA C 61.259 0.2 1 1388 139 139 GLU CB C 28.893 0.2 1 1389 139 139 GLU CG C 37.581 0.2 1 1390 139 139 GLU N N 119.816 0.018 1 1391 140 140 ASN H H 7.981 0.001 1 1392 140 140 ASN HA H 4.842 0.02 1 1393 140 140 ASN HB2 H 2.635 0.02 1 1394 140 140 ASN HB3 H 2.883 0.02 1 1395 140 140 ASN CA C 56.234 0.2 1 1396 140 140 ASN CB C 38.424 0.2 1 1397 140 140 ASN N N 116.011 0.018 1 1398 141 141 LEU H H 8.799 0.002 1 1399 141 141 LEU HA H 4.175 0.02 1 1400 141 141 LEU HB2 H 1.638 0.02 1 1401 141 141 LEU HB3 H 2.327 0.02 1 1402 141 141 LEU HG H 1.798 0.02 1 1403 141 141 LEU HD1 H 1.025 0.02 1 1404 141 141 LEU HD2 H 0.938 0.02 1 1405 141 141 LEU CA C 58.074 0.2 1 1406 141 141 LEU CB C 43.372 0.2 1 1407 141 141 LEU CG C 27.096 0.2 1 1408 141 141 LEU CD1 C 25.601 0.2 1 1409 141 141 LEU CD2 C 26.269 0.2 1 1410 141 141 LEU N N 124.457 0.021 1 1411 142 142 LEU H H 8.214 0.001 1 1412 142 142 LEU HA H 4.453 0.02 1 1413 142 142 LEU HB2 H 1.74 0.02 1 1414 142 142 LEU HB3 H 1.74 0.02 1 1415 142 142 LEU HG H 1.885 0.02 1 1416 142 142 LEU HD1 H 0.905 0.02 1 1417 142 142 LEU HD2 H 0.938 0.02 1 1418 142 142 LEU CA C 55.271 0.2 1 1419 142 142 LEU CB C 42.859 0.2 1 1420 142 142 LEU CG C 27.426 0.2 1 1421 142 142 LEU CD1 C 20.656 0.2 1 1422 142 142 LEU CD2 C 22.197 0.2 1 1423 142 142 LEU N N 116.993 0.015 1 1424 143 143 GLY H H 8.001 0.002 1 1425 143 143 GLY HA2 H 4 0.02 1 1426 143 143 GLY HA3 H 4.07 0.02 1 1427 143 143 GLY CA C 46.868 0.2 1 1428 143 143 GLY N N 109.305 0.022 1 1429 144 144 VAL H H 7.884 0.001 1 1430 144 144 VAL HA H 4.235 0.02 1 1431 144 144 VAL HB H 1.957 0.02 1 1432 144 144 VAL HG1 H 0.906 0.02 1 1433 144 144 VAL HG2 H 0.895 0.02 1 1434 144 144 VAL CA C 61.215 0.2 1 1435 144 144 VAL CB C 33.891 0.2 1 1436 144 144 VAL CG1 C 20.648 0.2 1 1437 144 144 VAL CG2 C 21.214 0.2 1 1438 144 144 VAL N N 118.122 0.008 1 1439 145 145 LYS H H 8.316 0.001 1 1440 145 145 LYS HA H 4.59 0.02 1 1441 145 145 LYS HB2 H 1.733 0.02 1 1442 145 145 LYS HB3 H 1.829 0.02 1 1443 145 145 LYS HG2 H 1.476 0.02 1 1444 145 145 LYS HG3 H 1.476 0.02 1 1445 145 145 LYS HD2 H 1.779 0.02 1 1446 145 145 LYS HD3 H 1.779 0.02 1 1447 145 145 LYS HE2 H 3.08 0.02 1 1448 145 145 LYS HE3 H 3.08 0.02 1 1449 145 145 LYS CA C 55.013 0.2 1 1450 145 145 LYS CB C 33.294 0.2 1 1451 145 145 LYS CG C 24.134 0.2 1 1452 145 145 LYS CD C 28.679 0.2 1 1453 145 145 LYS CE C 41.876 0.2 1 1454 145 145 LYS N N 124.364 0.007 1 1455 146 146 SER H H 8.712 0.003 1 1456 146 146 SER HA H 4.636 0.02 1 1457 146 146 SER HB2 H 3.977 0.02 1 1458 146 146 SER HB3 H 3.977 0.02 1 1459 146 146 SER CA C 58.632 0.2 1 1460 146 146 SER CB C 64.332 0.2 1 1461 146 146 SER N N 121.323 0.012 1 1462 147 147 VAL H H 8.465 0.003 1 1463 147 147 VAL HA H 4.322 0.02 1 1464 147 147 VAL HB H 2.364 0.02 1 1465 147 147 VAL HG1 H 1.195 0.02 1 1466 147 147 VAL HG2 H 1.204 0.02 1 1467 147 147 VAL CA C 62.635 0.2 1 1468 147 147 VAL CB C 33.069 0.2 1 1469 147 147 VAL CG1 C 20.725 0.2 1 1470 147 147 VAL CG2 C 21.543 0.2 1 1471 147 147 VAL N N 121.689 0.006 1 1472 148 148 ASN H H 8.695 0.001 1 1473 148 148 ASN HA H 5.313 0.02 1 1474 148 148 ASN HB2 H 2.994 0.02 1 1475 148 148 ASN HB3 H 2.994 0.02 1 1476 148 148 ASN CA C 52.633 0.2 1 1477 148 148 ASN CB C 41.287 0.2 1 1478 148 148 ASN N N 121.604 0.007 1 1479 149 149 LEU H H 8.829 0.003 1 1480 149 149 LEU HA H 4.167 0.02 1 1481 149 149 LEU HB2 H 1.402 0.02 1 1482 149 149 LEU HB3 H 1.62 0.02 1 1483 149 149 LEU HG H 1.172 0.02 1 1484 149 149 LEU HD1 H 0.492 0.02 1 1485 149 149 LEU HD2 H 0.474 0.02 1 1486 149 149 LEU CA C 55.633 0.2 1 1487 149 149 LEU CB C 41.507 0.2 1 1488 149 149 LEU CG C 26.692 0.2 1 1489 149 149 LEU CD1 C 23.891 0.2 1 1490 149 149 LEU CD2 C 25.38 0.2 1 1491 149 149 LEU N N 119.412 0.007 1 1492 150 150 SER H H 8.626 0.003 1 1493 150 150 SER HA H 4.437 0.02 1 1494 150 150 SER HB2 H 3.905 0.02 1 1495 150 150 SER HB3 H 3.982 0.02 1 1496 150 150 SER CA C 60.421 0.2 1 1497 150 150 SER CB C 64.153 0.2 1 1498 150 150 SER N N 116.017 0.013 1 1499 151 151 ASP H H 7.901 0.001 1 1500 151 151 ASP HA H 4.873 0.02 1 1501 151 151 ASP HB2 H 2.728 0.02 1 1502 151 151 ASP HB3 H 2.959 0.02 1 1503 151 151 ASP CA C 54.078 0.2 1 1504 151 151 ASP CB C 41.16 0.2 1 1505 151 151 ASP N N 120.659 0.012 1 1506 152 152 LEU H H 6.364 0.002 1 1507 152 152 LEU HA H 4.058 0.02 1 1508 152 152 LEU HB2 H 1.305 0.02 1 1509 152 152 LEU HB3 H 1.48 0.02 1 1510 152 152 LEU HG H 1.506 0.02 1 1511 152 152 LEU HD1 H 0.07 0.02 1 1512 152 152 LEU HD2 H 0.578 0.02 1 1513 152 152 LEU CA C 55.737 0.2 1 1514 152 152 LEU CB C 43.361 0.2 1 1515 152 152 LEU CG C 26.555 0.2 1 1516 152 152 LEU CD1 C 21.601 0.2 1 1517 152 152 LEU CD2 C 26.2 0.2 1 1518 152 152 LEU N N 117.759 0.019 1 1519 153 153 GLU H H 8.754 0.002 1 1520 153 153 GLU HA H 4.462 0.02 1 1521 153 153 GLU HB2 H 1.934 0.02 1 1522 153 153 GLU HB3 H 2.245 0.02 1 1523 153 153 GLU HG2 H 2.277 0.02 1 1524 153 153 GLU HG3 H 2.415 0.02 1 1525 153 153 GLU CA C 56.141 0.2 1 1526 153 153 GLU CB C 32.091 0.2 1 1527 153 153 GLU CG C 36.374 0.2 1 1528 153 153 GLU N N 120.251 0.014 1 1529 154 154 GLU H H 7.724 0.002 1 1530 154 154 GLU HA H 4.556 0.02 1 1531 154 154 GLU HB2 H 2.061 0.02 1 1532 154 154 GLU HB3 H 2.061 0.02 1 1533 154 154 GLU HG2 H 2.069 0.02 1 1534 154 154 GLU HG3 H 2.191 0.02 1 1535 154 154 GLU CA C 54.356 0.2 1 1536 154 154 GLU CB C 32.754 0.2 1 1537 154 154 GLU CG C 35.123 0.2 1 1538 154 154 GLU N N 117.798 0.015 1 1539 155 155 GLU H H 8.389 0.002 1 1540 155 155 GLU HA H 4.854 0.02 1 1541 155 155 GLU HB2 H 1.835 0.02 1 1542 155 155 GLU HB3 H 2.035 0.02 1 1543 155 155 GLU HG2 H 2.406 0.02 1 1544 155 155 GLU HG3 H 2.493 0.02 1 1545 155 155 GLU CA C 56.684 0.2 1 1546 155 155 GLU CB C 29.662 0.2 1 1547 155 155 GLU CG C 36.858 0.2 1 1548 155 155 GLU N N 118.977 0.011 1 1549 156 156 VAL H H 8.808 0.004 1 1550 156 156 VAL HA H 5.219 0.02 1 1551 156 156 VAL HB H 2.249 0.02 1 1552 156 156 VAL HG1 H 0.754 0.02 1 1553 156 156 VAL HG2 H 0.936 0.02 1 1554 156 156 VAL CA C 59.327 0.2 1 1555 156 156 VAL CB C 37.866 0.2 1 1556 156 156 VAL CG1 C 18.014 0.2 1 1557 156 156 VAL CG2 C 22.642 0.2 1 1558 156 156 VAL N N 115.5 0.016 1 1559 157 157 VAL H H 8.774 0.002 1 1560 157 157 VAL HA H 3.945 0.02 1 1561 157 157 VAL HB H 1.487 0.02 1 1562 157 157 VAL HG1 H 0.505 0.02 1 1563 157 157 VAL HG2 H 0.463 0.02 1 1564 157 157 VAL CA C 62.008 0.2 1 1565 157 157 VAL CB C 32.776 0.2 1 1566 157 157 VAL CG1 C 21.434 0.2 1 1567 157 157 VAL CG2 C 21.707 0.2 1 1568 157 157 VAL N N 121.029 0.012 1 1569 158 158 VAL H H 8.181 0.001 1 1570 158 158 VAL HA H 4.504 0.02 1 1571 158 158 VAL HB H 2.296 0.02 1 1572 158 158 VAL HG1 H 1.106 0.02 1 1573 158 158 VAL HG2 H 1.012 0.02 1 1574 158 158 VAL CA C 64.102 0.2 1 1575 158 158 VAL CB C 32.585 0.2 1 1576 158 158 VAL CG1 C 21.453 0.2 1 1577 158 158 VAL CG2 C 23.508 0.2 1 1578 158 158 VAL N N 128.071 0.019 1 1579 159 159 ILE H H 9.081 0.002 1 1580 159 159 ILE HA H 5.38 0.02 1 1581 159 159 ILE HB H 2.075 0.02 1 1582 159 159 ILE HG12 H 1.248 0.02 1 1583 159 159 ILE HG13 H 1.609 0.02 1 1584 159 159 ILE HG2 H 0.727 0.02 1 1585 159 159 ILE HD1 H 0.67 0.02 1 1586 159 159 ILE CA C 57.939 0.2 1 1587 159 159 ILE CB C 37.459 0.2 1 1588 159 159 ILE CG1 C 27.278 0.2 1 1589 159 159 ILE CG2 C 19.099 0.2 1 1590 159 159 ILE CD1 C 12.023 0.2 1 1591 159 159 ILE N N 129.545 0.022 1 1592 160 160 ALA H H 8.398 0 1 1593 160 160 ALA HA H 5.023 0.02 1 1594 160 160 ALA HB H 1.535 0.02 1 1595 160 160 ALA CA C 50.283 0.2 1 1596 160 160 ALA CB C 24.971 0.2 1 1597 160 160 ALA N N 126.157 0.011 1 1598 161 161 ARG H H 9.412 0.001 1 1599 161 161 ARG HA H 4.332 0.02 1 1600 161 161 ARG HB2 H 1.943 0.02 1 1601 161 161 ARG HB3 H 1.943 0.02 1 1602 161 161 ARG HG2 H 1.919 0.02 1 1603 161 161 ARG HG3 H 1.919 0.02 1 1604 161 161 ARG HD2 H 3.257 0.02 1 1605 161 161 ARG HD3 H 3.404 0.02 1 1606 161 161 ARG CA C 59.932 0.2 1 1607 161 161 ARG CB C 30.092 0.2 1 1608 161 161 ARG CG C 27.897 0.2 1 1609 161 161 ARG CD C 43.257 0.2 1 1610 161 161 ARG N N 122.67 0.038 1 1611 162 162 ASP H H 7.437 0.002 1 1612 162 162 ASP HA H 4.653 0.02 1 1613 162 162 ASP HB2 H 2.442 0.02 1 1614 162 162 ASP HB3 H 2.788 0.02 1 1615 162 162 ASP CA C 52.379 0.2 1 1616 162 162 ASP CB C 43.963 0.2 1 1617 162 162 ASP N N 110.218 0.01 1 1618 163 163 LEU H H 7.786 0.002 1 1619 163 163 LEU HA H 5.162 0.02 1 1620 163 163 LEU HB2 H 1.89 0.02 1 1621 163 163 LEU HB3 H 1.89 0.02 1 1622 163 163 LEU HG H 0.773 0.02 1 1623 163 163 LEU HD1 H 1.233 0.02 1 1624 163 163 LEU HD2 H 0.24 0.02 1 1625 163 163 LEU CA C 54.057 0.2 1 1626 163 163 LEU CB C 45.197 0.2 1 1627 163 163 LEU CG C 25.001 0.2 1 1628 163 163 LEU CD1 C 21.87 0.2 1 1629 163 163 LEU CD2 C 25.834 0.2 1 1630 163 163 LEU N N 118.965 0.017 1 1631 164 164 THR H H 9.604 0.002 1 1632 164 164 THR HG2 H 1.147 0.02 1 1633 164 164 THR CG2 C 21.862 0.2 1 1634 164 164 THR N N 115.36 0.019 1 1635 165 165 PRO HA H 4.061 0.02 1 1636 165 165 PRO CA C 64.829 0.2 1 1637 166 166 SER H H 8.137 0.004 1 1638 166 166 SER HA H 4.14 0.02 1 1639 166 166 SER HB2 H 3.814 0.02 1 1640 166 166 SER HB3 H 3.866 0.02 1 1641 166 166 SER CA C 61.76 0.2 1 1642 166 166 SER CB C 62.621 0.2 1 1643 166 166 SER N N 111.275 0.012 1 1644 167 167 ASP H H 7.894 0.002 1 1645 167 167 ASP HA H 4.583 0.02 1 1646 167 167 ASP HB2 H 2.521 0.02 1 1647 167 167 ASP HB3 H 3.303 0.02 1 1648 167 167 ASP CA C 57.604 0.2 1 1649 167 167 ASP CB C 43.577 0.2 1 1650 167 167 ASP N N 120.16 0.019 1 1651 168 168 THR H H 7.829 0.002 1 1652 168 168 THR HA H 4.232 0.02 1 1653 168 168 THR HB H 4.453 0.02 1 1654 168 168 THR HG2 H 1.148 0.02 1 1655 168 168 THR CA C 63.22 0.2 1 1656 168 168 THR CB C 69.165 0.2 1 1657 168 168 THR CG2 C 21.864 0.2 1 1658 168 168 THR N N 105.889 0.021 1 1659 169 169 ALA H H 7.774 0.001 1 1660 169 169 ALA HA H 4.137 0.02 1 1661 169 169 ALA HB H 1.568 0.02 1 1662 169 169 ALA CA C 55.445 0.2 1 1663 169 169 ALA CB C 19.862 0.2 1 1664 169 169 ALA N N 124.285 0.017 1 1665 170 170 THR H H 7.318 0.002 1 1666 170 170 THR HA H 4.293 0.02 1 1667 170 170 THR HB H 4.493 0.02 1 1668 170 170 THR HG2 H 1.15 0.02 1 1669 170 170 THR CA C 59.702 0.2 1 1670 170 170 THR CB C 68.971 0.2 1 1671 170 170 THR CG2 C 22.365 0.2 1 1672 170 170 THR N N 100.882 0.005 1 1673 171 171 MET H H 7.063 0.001 1 1674 171 171 MET HA H 3.68 0.02 1 1675 171 171 MET HB2 H 1.845 0.02 1 1676 171 171 MET HB3 H 2.09 0.02 1 1677 171 171 MET HG2 H 2.169 0.02 1 1678 171 171 MET HG3 H 2.616 0.02 1 1679 171 171 MET HE H 2.113 0.02 1 1680 171 171 MET CA C 55.624 0.2 1 1681 171 171 MET CB C 34.977 0.2 1 1682 171 171 MET CG C 31.558 0.2 1 1683 171 171 MET CE C 18.167 0.2 1 1684 171 171 MET N N 120.269 0.01 1 1685 172 172 LYS H H 7.656 0.003 1 1686 172 172 LYS HA H 4.588 0.02 1 1687 172 172 LYS HB2 H 1.734 0.02 1 1688 172 172 LYS HB3 H 1.908 0.02 1 1689 172 172 LYS HG2 H 1.439 0.02 1 1690 172 172 LYS HG3 H 1.495 0.02 1 1691 172 172 LYS HD2 H 1.851 0.02 1 1692 172 172 LYS HD3 H 1.851 0.02 1 1693 172 172 LYS CA C 55.172 0.2 1 1694 172 172 LYS CB C 31.037 0.2 1 1695 172 172 LYS CG C 25.429 0.2 1 1696 172 172 LYS CD C 29.568 0.2 1 1697 172 172 LYS N N 125.3 0.016 1 1698 173 173 LYS H H 8.063 0.003 1 1699 173 173 LYS HA H 3.763 0.02 1 1700 173 173 LYS HB2 H 1.825 0.02 1 1701 173 173 LYS HB3 H 1.981 0.02 1 1702 173 173 LYS HG2 H 1.535 0.02 1 1703 173 173 LYS HG3 H 1.535 0.02 1 1704 173 173 LYS HD2 H 1.734 0.02 1 1705 173 173 LYS HD3 H 1.734 0.02 1 1706 173 173 LYS HE2 H 3.039 0.02 1 1707 173 173 LYS HE3 H 3.039 0.02 1 1708 173 173 LYS CA C 60.381 0.2 1 1709 173 173 LYS CB C 32.796 0.2 1 1710 173 173 LYS CG C 24.367 0.2 1 1711 173 173 LYS CD C 29.815 0.2 1 1712 173 173 LYS CE C 42.174 0.2 1 1713 173 173 LYS N N 127.049 0.014 1 1714 174 174 GLU H H 9.912 0.002 1 1715 174 174 GLU HA H 4.215 0.02 1 1716 174 174 GLU HB2 H 2.055 0.02 1 1717 174 174 GLU HB3 H 2.055 0.02 1 1718 174 174 GLU HG2 H 2.336 0.02 1 1719 174 174 GLU HG3 H 2.336 0.02 1 1720 174 174 GLU CA C 58.945 0.2 1 1721 174 174 GLU CB C 28.58 0.2 1 1722 174 174 GLU CG C 36.607 0.2 1 1723 174 174 GLU N N 118.955 0.013 1 1724 175 175 MET H H 7.682 0.003 1 1725 175 175 MET HA H 4.604 0.02 1 1726 175 175 MET HB2 H 2.102 0.02 1 1727 175 175 MET HB3 H 2.47 0.02 1 1728 175 175 MET HG2 H 1.856 0.02 1 1729 175 175 MET HG3 H 1.856 0.02 1 1730 175 175 MET HE H 1.919 0.02 1 1731 175 175 MET CA C 53.733 0.2 1 1732 175 175 MET CB C 33.556 0.2 1 1733 175 175 MET CG C 33.207 0.2 1 1734 175 175 MET CE C 18.792 0.2 1 1735 175 175 MET N N 115.03 0.017 1 1736 176 176 VAL H H 7.159 0.002 1 1737 176 176 VAL HA H 4.26 0.02 1 1738 176 176 VAL HB H 1.867 0.02 1 1739 176 176 VAL HG1 H 0.409 0.02 1 1740 176 176 VAL HG2 H 0.778 0.02 1 1741 176 176 VAL CA C 62.799 0.2 1 1742 176 176 VAL CB C 32.21 0.2 1 1743 176 176 VAL CG1 C 22.162 0.2 1 1744 176 176 VAL CG2 C 20.902 0.2 1 1745 176 176 VAL N N 118.046 0.007 1 1746 177 177 LEU H H 9.031 0.002 1 1747 177 177 LEU HA H 4.245 0.02 1 1748 177 177 LEU HB2 H 1.308 0.02 1 1749 177 177 LEU HB3 H 1.308 0.02 1 1750 177 177 LEU HG H 1.505 0.02 1 1751 177 177 LEU HD1 H 0.847 0.02 1 1752 177 177 LEU HD2 H 0.789 0.02 1 1753 177 177 LEU CA C 54.956 0.2 1 1754 177 177 LEU CB C 44.02 0.2 1 1755 177 177 LEU CG C 26.812 0.2 1 1756 177 177 LEU CD1 C 21.732 0.2 1 1757 177 177 LEU CD2 C 26.202 0.2 1 1758 177 177 LEU N N 124.321 0.019 1 1759 178 178 GLY H H 6.957 0.002 1 1760 178 178 GLY HA2 H 3.452 0.02 1 1761 178 178 GLY HA3 H 4.134 0.02 1 1762 178 178 GLY CA C 44.931 0.2 1 1763 178 178 GLY N N 99.818 0.02 1 1764 179 179 PHE H H 8.058 0.002 1 1765 179 179 PHE HA H 5.983 0.02 1 1766 179 179 PHE HB2 H 2.545 0.02 1 1767 179 179 PHE HB3 H 2.819 0.02 1 1768 179 179 PHE HD1 H 7.015 0.02 1 1769 179 179 PHE HD2 H 7.015 0.02 1 1770 179 179 PHE CA C 55.436 0.2 1 1771 179 179 PHE CB C 45.031 0.2 1 1772 179 179 PHE CD1 C 132.084 0.2 1 1773 179 179 PHE CD2 C 132.084 0.2 1 1774 179 179 PHE N N 115.043 0.016 1 1775 180 180 ALA H H 8.766 0.002 1 1776 180 180 ALA HA H 5.827 0.02 1 1777 180 180 ALA HB H 1.182 0.02 1 1778 180 180 ALA CA C 50.979 0.2 1 1779 180 180 ALA CB C 21.431 0.2 1 1780 180 180 ALA N N 122.866 0.012 1 1781 181 181 THR H H 8.294 0.002 1 1782 181 181 THR HA H 6.285 0.02 1 1783 181 181 THR HB H 4.473 0.02 1 1784 181 181 THR HG2 H 1.027 0.02 1 1785 181 181 THR CA C 58.325 0.2 1 1786 181 181 THR CB C 71.98 0.2 1 1787 181 181 THR CG2 C 21.354 0.2 1 1788 181 181 THR N N 108.991 0.016 1 1789 182 182 ASP H H 7.899 0.004 1 1790 182 182 ASP HA H 4.492 0.02 1 1791 182 182 ASP HB2 H 2.829 0.02 1 1792 182 182 ASP HB3 H 3.113 0.02 1 1793 182 182 ASP CA C 56.959 0.2 1 1794 182 182 ASP CB C 42.066 0.2 1 1795 182 182 ASP N N 119.754 0.015 1 1796 183 183 VAL H H 8.064 0.002 1 1797 183 183 VAL HA H 4.96 0.02 1 1798 183 183 VAL HB H 2.445 0.02 1 1799 183 183 VAL HG1 H 1.037 0.02 1 1800 183 183 VAL HG2 H 1.025 0.02 1 1801 183 183 VAL CA C 60.048 0.2 1 1802 183 183 VAL CB C 33.69 0.2 1 1803 183 183 VAL CG1 C 19.037 0.2 1 1804 183 183 VAL CG2 C 21.381 0.2 1 1805 183 183 VAL N N 112.715 0.015 1 1806 184 184 GLY H H 8.516 0.004 1 1807 184 184 GLY HA2 H 3.937 0.02 1 1808 184 184 GLY HA3 H 4.633 0.02 1 1809 184 184 GLY CA C 44.755 0.2 1 1810 184 184 GLY N N 111.374 0.024 1 1811 185 185 GLY H H 7.894 0.003 1 1812 185 185 GLY HA2 H 3.96 0.02 1 1813 185 185 GLY HA3 H 4.311 0.02 1 1814 185 185 GLY CA C 44.211 0.2 1 1815 185 185 GLY N N 104.545 0.011 1 1816 187 187 THR HA H 4.517 0.02 1 1817 187 187 THR HB H 4.683 0.02 1 1818 187 187 THR HG2 H 1.177 0.02 1 1819 187 187 THR CA C 60.524 0.2 1 1820 187 187 THR CB C 68.557 0.2 1 1821 187 187 THR CG2 C 21.709 0.2 1 1822 188 188 SER H H 7.447 0.002 1 1823 188 188 SER HA H 4.518 0.02 1 1824 188 188 SER HB2 H 4.394 0.02 1 1825 188 188 SER HB3 H 4.394 0.02 1 1826 188 188 SER CA C 58.759 0.2 1 1827 188 188 SER CB C 64.854 0.2 1 1828 188 188 SER N N 117.309 0.028 1 1829 189 189 HIS H H 9.306 0.002 1 1830 189 189 HIS HA H 4.22 0.02 1 1831 189 189 HIS HB2 H 3.348 0.02 1 1832 189 189 HIS HB3 H 3.348 0.02 1 1833 189 189 HIS CA C 60.922 0.2 1 1834 189 189 HIS CB C 28.598 0.2 1 1835 189 189 HIS N N 122.699 0.025 1 1836 190 190 THR H H 8.45 0.003 1 1837 190 190 THR HA H 2.93 0.02 1 1838 190 190 THR HB H 3.766 0.02 1 1839 190 190 THR HG2 H 0.554 0.02 1 1840 190 190 THR CA C 67.408 0.2 1 1841 190 190 THR CB C 68.746 0.2 1 1842 190 190 THR CG2 C 21.919 0.2 1 1843 190 190 THR N N 113.253 0.018 1 1844 191 191 ALA H H 7.091 0.002 1 1845 191 191 ALA HA H 3.545 0.02 1 1846 191 191 ALA HB H 1.463 0.02 1 1847 191 191 ALA CA C 55.518 0.2 1 1848 191 191 ALA CB C 20.542 0.2 1 1849 191 191 ALA N N 121.408 0.009 1 1850 192 192 ILE H H 8.027 0.001 1 1851 192 192 ILE HA H 3.544 0.02 1 1852 192 192 ILE HB H 1.797 0.02 1 1853 192 192 ILE HG12 H 1.186 0.02 1 1854 192 192 ILE HG13 H 1.595 0.02 1 1855 192 192 ILE HG2 H 0.917 0.02 1 1856 192 192 ILE HD1 H 0.836 0.02 1 1857 192 192 ILE CA C 64.836 0.2 1 1858 192 192 ILE CB C 38.373 0.2 1 1859 192 192 ILE CG1 C 28.999 0.2 1 1860 192 192 ILE CG2 C 17.232 0.2 1 1861 192 192 ILE CD1 C 13.132 0.2 1 1862 192 192 ILE N N 117.838 0.022 1 1863 193 193 MET H H 8.638 0.001 1 1864 193 193 MET HA H 4.21 0.02 1 1865 193 193 MET HB2 H 1.555 0.02 1 1866 193 193 MET HB3 H 1.64 0.02 1 1867 193 193 MET HG2 H 2.181 0.02 1 1868 193 193 MET HG3 H 2.253 0.02 1 1869 193 193 MET HE H 1.743 0.02 1 1870 193 193 MET CA C 57.035 0.2 1 1871 193 193 MET CB C 30.437 0.2 1 1872 193 193 MET CG C 31.873 0.2 1 1873 193 193 MET CE C 16.736 0.2 1 1874 193 193 MET N N 120.349 0.021 1 1875 194 194 ALA H H 8.522 0.003 1 1876 194 194 ALA HA H 3.891 0.02 1 1877 194 194 ALA HB H 1.599 0.02 1 1878 194 194 ALA CA C 56.254 0.2 1 1879 194 194 ALA CB C 18.864 0.2 1 1880 194 194 ALA N N 122.39 0.017 1 1881 195 195 ARG H H 8.315 0.004 1 1882 195 195 ARG HA H 4.329 0.02 1 1883 195 195 ARG HB2 H 1.896 0.02 1 1884 195 195 ARG HB3 H 2.075 0.02 1 1885 195 195 ARG HG2 H 1.781 0.02 1 1886 195 195 ARG HG3 H 2.332 0.02 1 1887 195 195 ARG HD2 H 3.539 0.02 1 1888 195 195 ARG HD3 H 3.539 0.02 1 1889 195 195 ARG CA C 60.259 0.2 1 1890 195 195 ARG CB C 30.797 0.2 1 1891 195 195 ARG CG C 29.632 0.2 1 1892 195 195 ARG CD C 44.183 0.2 1 1893 195 195 ARG N N 116.503 0.026 1 1894 196 196 SER H H 7.947 0.001 1 1895 196 196 SER HA H 4.362 0.02 1 1896 196 196 SER HB2 H 4.115 0.02 1 1897 196 196 SER HB3 H 4.115 0.02 1 1898 196 196 SER CA C 61.684 0.2 1 1899 196 196 SER CB C 63.257 0.2 1 1900 196 196 SER N N 116.005 0.008 1 1901 197 197 LEU H H 7.744 0.002 1 1902 197 197 LEU HA H 4.39 0.02 1 1903 197 197 LEU HB2 H 1.698 0.02 1 1904 197 197 LEU HB3 H 1.698 0.02 1 1905 197 197 LEU HG H 1.898 0.02 1 1906 197 197 LEU HD1 H 0.966 0.02 1 1907 197 197 LEU HD2 H 0.875 0.02 1 1908 197 197 LEU CA C 54.967 0.2 1 1909 197 197 LEU CB C 43.351 0.2 1 1910 197 197 LEU CG C 26.915 0.2 1 1911 197 197 LEU CD1 C 22.87 0.2 1 1912 197 197 LEU CD2 C 26.241 0.2 1 1913 197 197 LEU N N 120.73 0.014 1 1914 198 198 GLU H H 7.897 0.004 1 1915 198 198 GLU HA H 3.953 0.02 1 1916 198 198 GLU HB2 H 2.198 0.02 1 1917 198 198 GLU HB3 H 2.346 0.02 1 1918 198 198 GLU HG2 H 2.232 0.02 1 1919 198 198 GLU HG3 H 2.232 0.02 1 1920 198 198 GLU CA C 57.577 0.2 1 1921 198 198 GLU CB C 26.977 0.2 1 1922 198 198 GLU CG C 37.291 0.2 1 1923 198 198 GLU N N 116.515 0.027 1 1924 199 199 ILE H H 8.056 0.003 1 1925 199 199 ILE HA H 4.831 0.02 1 1926 199 199 ILE HB H 1.731 0.02 1 1927 199 199 ILE HG12 H 0.989 0.02 1 1928 199 199 ILE HG13 H 1.29 0.02 1 1929 199 199 ILE HG2 H 0.784 0.02 1 1930 199 199 ILE HD1 H 0.364 0.02 1 1931 199 199 ILE CA C 58.095 0.2 1 1932 199 199 ILE CB C 39.932 0.2 1 1933 199 199 ILE CG1 C 25.137 0.2 1 1934 199 199 ILE CG2 C 17.297 0.2 1 1935 199 199 ILE CD1 C 13.844 0.2 1 1936 199 199 ILE N N 114.994 0.015 1 1937 200 200 PRO HA H 4.27 0.02 1 1938 200 200 PRO HB2 H 1.469 0.02 1 1939 200 200 PRO HB3 H 1.806 0.02 1 1940 200 200 PRO CA C 62.113 0.2 1 1941 200 200 PRO CB C 33.218 0.2 1 1942 201 201 ALA H H 8.262 0.003 1 1943 201 201 ALA HA H 5.614 0.02 1 1944 201 201 ALA HB H 1.13 0.02 1 1945 201 201 ALA CA C 51.167 0.2 1 1946 201 201 ALA CB C 22.709 0.2 1 1947 201 201 ALA N N 117.554 0.016 1 1948 202 202 VAL H H 8.063 0.002 1 1949 202 202 VAL HA H 4.709 0.02 1 1950 202 202 VAL HB H 1.638 0.02 1 1951 202 202 VAL HG1 H 0.715 0.02 1 1952 202 202 VAL HG2 H 0.885 0.02 1 1953 202 202 VAL CA C 61.614 0.2 1 1954 202 202 VAL CB C 34.242 0.2 1 1955 202 202 VAL CG1 C 21.617 0.2 1 1956 202 202 VAL CG2 C 23.513 0.2 1 1957 202 202 VAL N N 123.186 0.009 1 1958 203 203 VAL H H 8.268 0.004 1 1959 203 203 VAL HA H 5.334 0.02 1 1960 203 203 VAL HB H 2.276 0.02 1 1961 203 203 VAL HG1 H 0.536 0.02 1 1962 203 203 VAL HG2 H 0.7 0.02 1 1963 203 203 VAL CA C 57.642 0.2 1 1964 203 203 VAL CB C 34.239 0.2 1 1965 203 203 VAL CG1 C 17.999 0.2 1 1966 203 203 VAL CG2 C 20.265 0.2 1 1967 203 203 VAL N N 115.914 0.015 1 1968 204 204 GLY H H 6.787 0.002 1 1969 204 204 GLY HA2 H 3.84 0.02 1 1970 204 204 GLY HA3 H 3.84 0.02 1 1971 204 204 GLY CA C 48.361 0.2 1 1972 204 204 GLY N N 105.771 0.012 1 1973 205 205 LEU H H 8.209 0.002 1 1974 205 205 LEU HA H 4.136 0.02 1 1975 205 205 LEU HB2 H 1.603 0.02 1 1976 205 205 LEU HB3 H 1.811 0.02 1 1977 205 205 LEU HG H 1.338 0.02 1 1978 205 205 LEU HD1 H 0.698 0.02 1 1979 205 205 LEU HD2 H 0.846 0.02 1 1980 205 205 LEU CA C 57.16 0.2 1 1981 205 205 LEU CB C 43.483 0.2 1 1982 205 205 LEU CG C 28.653 0.2 1 1983 205 205 LEU CD1 C 24.979 0.2 1 1984 205 205 LEU CD2 C 27.842 0.2 1 1985 205 205 LEU N N 117.391 0.018 1 1986 206 206 GLY H H 10.276 0.005 1 1987 206 206 GLY HA2 H 3.491 0.02 1 1988 206 206 GLY HA3 H 4.513 0.02 1 1989 206 206 GLY CA C 47.431 0.2 1 1990 206 206 GLY N N 113.09 0.012 1 1991 207 207 ASN H H 8.117 0.001 1 1992 207 207 ASN HA H 4.853 0.02 1 1993 207 207 ASN HB2 H 2.705 0.02 1 1994 207 207 ASN HB3 H 3.044 0.02 1 1995 207 207 ASN CA C 52.57 0.2 1 1996 207 207 ASN CB C 37.878 0.2 1 1997 207 207 ASN N N 120.614 0.015 1 1998 208 208 VAL H H 7.767 0.002 1 1999 208 208 VAL HA H 3.815 0.02 1 2000 208 208 VAL HB H 1.9 0.02 1 2001 208 208 VAL HG1 H 0.895 0.02 1 2002 208 208 VAL HG2 H 0.845 0.02 1 2003 208 208 VAL CA C 65.7 0.2 1 2004 208 208 VAL CB C 31.807 0.2 1 2005 208 208 VAL CG1 C 19.157 0.2 1 2006 208 208 VAL CG2 C 22.934 0.2 1 2007 208 208 VAL N N 123.524 0.018 1 2008 209 209 THR H H 9.347 0.004 1 2009 209 209 THR HA H 3.709 0.02 1 2010 209 209 THR HB H 4.206 0.02 1 2011 209 209 THR HG2 H 1.104 0.02 1 2012 209 209 THR CA C 64.658 0.2 1 2013 209 209 THR CB C 69.431 0.2 1 2014 209 209 THR CG2 C 21.459 0.2 1 2015 209 209 THR N N 112.344 0.017 1 2016 210 210 SER H H 7.316 0.002 1 2017 210 210 SER HA H 4.709 0.02 1 2018 210 210 SER HB2 H 3.959 0.02 1 2019 210 210 SER HB3 H 3.959 0.02 1 2020 210 210 SER CA C 59.143 0.2 1 2021 210 210 SER CB C 64.328 0.2 1 2022 210 210 SER N N 113.221 0.02 1 2023 211 211 GLN H H 7.543 0.002 1 2024 211 211 GLN HA H 4.434 0.02 1 2025 211 211 GLN HB2 H 1.717 0.02 1 2026 211 211 GLN HB3 H 2.39 0.02 1 2027 211 211 GLN HG2 H 2.32 0.02 1 2028 211 211 GLN HG3 H 2.32 0.02 1 2029 211 211 GLN CA C 56.418 0.2 1 2030 211 211 GLN CB C 30.907 0.2 1 2031 211 211 GLN CG C 34.073 0.2 1 2032 211 211 GLN N N 118.734 0.009 1 2033 212 212 VAL H H 7.182 0.002 1 2034 212 212 VAL HA H 4.232 0.02 1 2035 212 212 VAL HB H 1.791 0.02 1 2036 212 212 VAL HG2 H 0.829 0.02 1 2037 212 212 VAL CA C 61.013 0.2 1 2038 212 212 VAL CB C 34.322 0.2 1 2039 212 212 VAL CG2 C 23.168 0.2 1 2040 212 212 VAL N N 118.114 0.016 1 2041 213 213 LYS H H 8.815 0.002 1 2042 213 213 LYS HA H 4.488 0.02 1 2043 213 213 LYS HB2 H 1.71 0.02 1 2044 213 213 LYS HB3 H 1.772 0.02 1 2045 213 213 LYS HG2 H 1.369 0.02 1 2046 213 213 LYS HG3 H 1.423 0.02 1 2047 213 213 LYS HD2 H 1.669 0.02 1 2048 213 213 LYS HD3 H 1.669 0.02 1 2049 213 213 LYS HE2 H 2.471 0.02 1 2050 213 213 LYS HE3 H 2.665 0.02 1 2051 213 213 LYS CA C 53.711 0.2 1 2052 213 213 LYS CB C 34.487 0.2 1 2053 213 213 LYS CG C 24.333 0.2 1 2054 213 213 LYS CD C 28.867 0.2 1 2055 213 213 LYS CE C 41.456 0.2 1 2056 213 213 LYS N N 125.148 0.022 1 2057 214 214 ALA H H 8.535 0.002 1 2058 214 214 ALA HA H 3.815 0.02 1 2059 214 214 ALA HB H 1.434 0.02 1 2060 214 214 ALA CA C 53.895 0.2 1 2061 214 214 ALA CB C 18.201 0.2 1 2062 214 214 ALA N N 122.901 0.02 1 2063 215 215 GLY H H 8.88 0.002 1 2064 215 215 GLY HA2 H 3.545 0.02 1 2065 215 215 GLY HA3 H 4.538 0.02 1 2066 215 215 GLY CA C 45.536 0.2 1 2067 215 215 GLY N N 111.306 0.022 1 2068 216 216 ASP H H 8.093 0.002 1 2069 216 216 ASP HA H 4.635 0.02 1 2070 216 216 ASP HB2 H 2.487 0.02 1 2071 216 216 ASP HB3 H 2.681 0.02 1 2072 216 216 ASP CA C 55.555 0.2 1 2073 216 216 ASP CB C 41.485 0.2 1 2074 216 216 ASP N N 121.971 0.014 1 2075 217 217 LEU H H 8.13 0.003 1 2076 217 217 LEU HA H 4.536 0.02 1 2077 217 217 LEU HB2 H 1.594 0.02 1 2078 217 217 LEU HB3 H 1.872 0.02 1 2079 217 217 LEU HG H 1.339 0.02 1 2080 217 217 LEU HD1 H 0.821 0.02 1 2081 217 217 LEU HD2 H 0.855 0.02 1 2082 217 217 LEU CA C 54.883 0.2 1 2083 217 217 LEU CB C 43.206 0.2 1 2084 217 217 LEU CG C 27.496 0.2 1 2085 217 217 LEU CD1 C 23.09 0.2 1 2086 217 217 LEU CD2 C 25.857 0.2 1 2087 217 217 LEU N N 123.055 0.013 1 2088 218 218 VAL H H 9.131 0.003 1 2089 218 218 VAL HA H 5.204 0.02 1 2090 218 218 VAL HB H 1.807 0.02 1 2091 218 218 VAL HG1 H 0.767 0.02 1 2092 218 218 VAL HG2 H 0.778 0.02 1 2093 218 218 VAL CA C 59.235 0.2 1 2094 218 218 VAL CB C 36.131 0.2 1 2095 218 218 VAL CG1 C 21.124 0.2 1 2096 218 218 VAL CG2 C 22.961 0.2 1 2097 218 218 VAL N N 121.968 0.012 1 2098 219 219 ILE H H 8.512 0.002 1 2099 219 219 ILE HA H 4.832 0.02 1 2100 219 219 ILE HB H 1.29 0.02 1 2101 219 219 ILE HG12 H 1.444 0.02 1 2102 219 219 ILE HG13 H 1.444 0.02 1 2103 219 219 ILE HG2 H 0.093 0.02 1 2104 219 219 ILE HD1 H 0.58 0.02 1 2105 219 219 ILE CA C 59.753 0.2 1 2106 219 219 ILE CB C 40.902 0.2 1 2107 219 219 ILE CG1 C 28.091 0.2 1 2108 219 219 ILE CG2 C 15.616 0.2 1 2109 219 219 ILE CD1 C 15.112 0.2 1 2110 219 219 ILE N N 120.63 0.022 1 2111 220 220 VAL H H 9.231 0.003 1 2112 220 220 VAL HA H 4.243 0.02 1 2113 220 220 VAL HB H 1.906 0.02 1 2114 220 220 VAL HG1 H 0.789 0.02 1 2115 220 220 VAL HG2 H 0.708 0.02 1 2116 220 220 VAL CA C 61.491 0.2 1 2117 220 220 VAL CB C 33.931 0.2 1 2118 220 220 VAL CG1 C 21.586 0.2 1 2119 220 220 VAL CG2 C 22.185 0.2 1 2120 220 220 VAL N N 125.98 0.015 1 2121 221 221 ASP H H 8.97 0.002 1 2122 221 221 ASP HA H 5.201 0.02 1 2123 221 221 ASP HB2 H 2.266 0.02 1 2124 221 221 ASP HB3 H 3.298 0.02 1 2125 221 221 ASP CA C 52.487 0.2 1 2126 221 221 ASP CB C 41.198 0.2 1 2127 221 221 ASP N N 125.813 0.016 1 2128 222 222 GLY H H 9.158 0.004 1 2129 222 222 GLY HA2 H 3.973 0.02 1 2130 222 222 GLY HA3 H 4.351 0.02 1 2131 222 222 GLY CA C 45.725 0.2 1 2132 222 222 GLY N N 112.117 0.013 1 2133 223 223 LEU H H 8.895 0.002 1 2134 223 223 LEU HA H 4.434 0.02 1 2135 223 223 LEU HB2 H 1.665 0.02 1 2136 223 223 LEU HB3 H 2.259 0.02 1 2137 223 223 LEU HG H 1.418 0.02 1 2138 223 223 LEU HD1 H 0.814 0.02 1 2139 223 223 LEU HD2 H 0.782 0.02 1 2140 223 223 LEU CA C 56.931 0.2 1 2141 223 223 LEU CB C 41.082 0.2 1 2142 223 223 LEU CG C 27.913 0.2 1 2143 223 223 LEU CD1 C 23.754 0.2 1 2144 223 223 LEU CD2 C 24.864 0.2 1 2145 223 223 LEU N N 120.493 0.032 1 2146 224 224 GLU H H 8.2 0.002 1 2147 224 224 GLU HA H 4.384 0.02 1 2148 224 224 GLU HB2 H 1.736 0.02 1 2149 224 224 GLU HB3 H 2.132 0.02 1 2150 224 224 GLU HG2 H 2.284 0.02 1 2151 224 224 GLU HG3 H 2.412 0.02 1 2152 224 224 GLU CA C 55.909 0.2 1 2153 224 224 GLU CB C 31.586 0.2 1 2154 224 224 GLU CG C 36.578 0.2 1 2155 224 224 GLU N N 116.849 0.008 1 2156 225 225 GLY H H 8.237 0.003 1 2157 225 225 GLY HA2 H 3.582 0.02 1 2158 225 225 GLY HA3 H 3.99 0.02 1 2159 225 225 GLY CA C 47.31 0.2 1 2160 225 225 GLY N N 108.79 0.012 1 2161 226 226 ILE H H 7.912 0.002 1 2162 226 226 ILE HA H 5.311 0.02 1 2163 226 226 ILE HB H 1.805 0.02 1 2164 226 226 ILE HG12 H 1.107 0.02 1 2165 226 226 ILE HG13 H 1.429 0.02 1 2166 226 226 ILE HG2 H 0.908 0.02 1 2167 226 226 ILE HD1 H 0.913 0.02 1 2168 226 226 ILE CA C 58.413 0.2 1 2169 226 226 ILE CB C 43.66 0.2 1 2170 226 226 ILE CG1 C 27.517 0.2 1 2171 226 226 ILE CG2 C 19.268 0.2 1 2172 226 226 ILE CD1 C 13.931 0.2 1 2173 226 226 ILE N N 115.421 0.015 1 2174 227 227 VAL H H 8.722 0.003 1 2175 227 227 VAL HA H 5.145 0.02 1 2176 227 227 VAL HB H 1.758 0.02 1 2177 227 227 VAL HG1 H 0.676 0.02 1 2178 227 227 VAL HG2 H 0.901 0.02 1 2179 227 227 VAL CA C 60.228 0.2 1 2180 227 227 VAL CB C 35.783 0.2 1 2181 227 227 VAL CG1 C 20.6 0.2 1 2182 227 227 VAL CG2 C 23.737 0.2 1 2183 227 227 VAL N N 122.548 0.024 1 2184 228 228 ILE H H 8.788 0.003 1 2185 228 228 ILE HA H 4.377 0.02 1 2186 228 228 ILE HB H 1.407 0.02 1 2187 228 228 ILE HG12 H 0.915 0.02 1 2188 228 228 ILE HG13 H 1.377 0.02 1 2189 228 228 ILE HG2 H 0.873 0.02 1 2190 228 228 ILE HD1 H 0.712 0.02 1 2191 228 228 ILE CA C 60.746 0.2 1 2192 228 228 ILE CB C 41.234 0.2 1 2193 228 228 ILE CG1 C 28.263 0.2 1 2194 228 228 ILE CG2 C 19.18 0.2 1 2195 228 228 ILE CD1 C 14.384 0.2 1 2196 228 228 ILE N N 126.041 0.01 1 2197 229 229 VAL H H 8.732 0.003 1 2198 229 229 VAL HA H 4.261 0.02 1 2199 229 229 VAL HB H 1.985 0.02 1 2200 229 229 VAL HG1 H 0.799 0.02 1 2201 229 229 VAL HG2 H 1.03 0.02 1 2202 229 229 VAL CA C 61.822 0.2 1 2203 229 229 VAL CB C 32.945 0.2 1 2204 229 229 VAL CG1 C 21.809 0.2 1 2205 229 229 VAL CG2 C 21.868 0.2 1 2206 229 229 VAL N N 127.911 0.016 1 2207 230 230 ASN H H 9.756 0.003 1 2208 230 230 ASN HA H 4.691 0.02 1 2209 230 230 ASN HB2 H 2.846 0.02 1 2210 230 230 ASN HB3 H 2.912 0.02 1 2211 230 230 ASN CA C 54.644 0.2 1 2212 230 230 ASN CB C 37.576 0.2 1 2213 230 230 ASN N N 123.285 0.023 1 2214 231 231 PRO HA H 4.522 0.02 1 2215 231 231 PRO HB2 H 1.955 0.02 1 2216 231 231 PRO HB3 H 2.137 0.02 1 2217 231 231 PRO CA C 61.796 0.2 1 2218 231 231 PRO CB C 32.653 0.2 1 2219 232 232 ASP H H 8.142 0.001 1 2220 232 232 ASP HA H 4.601 0.02 1 2221 232 232 ASP HB2 H 2.874 0.02 1 2222 232 232 ASP HB3 H 3.175 0.02 1 2223 232 232 ASP CA C 52.758 0.2 1 2224 232 232 ASP CB C 41.41 0.2 1 2225 232 232 ASP N N 118.448 0.019 1 2226 233 233 GLU H H 8.661 0 1 2227 233 233 GLU HA H 3.947 0.02 1 2228 233 233 GLU HB2 H 2.104 0.02 1 2229 233 233 GLU HB3 H 2.104 0.02 1 2230 233 233 GLU HG2 H 2.375 0.02 1 2231 233 233 GLU HG3 H 2.424 0.02 1 2232 233 233 GLU CA C 60.532 0.2 1 2233 233 233 GLU CB C 29.743 0.2 1 2234 233 233 GLU CG C 36.715 0.2 1 2235 233 233 GLU N N 118.892 0.007 1 2236 234 234 LYS H H 8.188 0.002 1 2237 234 234 LYS HA H 4.145 0.02 1 2238 234 234 LYS HB2 H 1.944 0.02 1 2239 234 234 LYS HB3 H 1.944 0.02 1 2240 234 234 LYS HG2 H 1.543 0.02 1 2241 234 234 LYS HG3 H 1.543 0.02 1 2242 234 234 LYS HD2 H 1.718 0.02 1 2243 234 234 LYS HD3 H 1.773 0.02 1 2244 234 234 LYS HE2 H 2.866 0.02 1 2245 234 234 LYS HE3 H 3.174 0.02 1 2246 234 234 LYS CA C 59.109 0.2 1 2247 234 234 LYS CB C 31.843 0.2 1 2248 234 234 LYS CG C 24.913 0.2 1 2249 234 234 LYS CD C 28.779 0.2 1 2250 234 234 LYS CE C 41.455 0.2 1 2251 234 234 LYS N N 120.132 0.01 1 2252 235 235 THR H H 8.134 0.001 1 2253 235 235 THR HA H 4.344 0.02 1 2254 235 235 THR HB H 4.126 0.02 1 2255 235 235 THR HG2 H 1.411 0.02 1 2256 235 235 THR CA C 67.874 0.2 1 2257 235 235 THR CB C 67.376 0.2 1 2258 235 235 THR CG2 C 22.007 0.2 1 2259 235 235 THR N N 118.712 0.01 1 2260 236 236 VAL H H 8.264 0.001 1 2261 236 236 VAL HA H 3.528 0.02 1 2262 236 236 VAL HB H 2.236 0.02 1 2263 236 236 VAL HG1 H 0.969 0.02 1 2264 236 236 VAL HG2 H 0.949 0.02 1 2265 236 236 VAL CA C 68.525 0.2 1 2266 236 236 VAL CB C 31.377 0.2 1 2267 236 236 VAL CG1 C 21.54 0.2 1 2268 236 236 VAL CG2 C 24.201 0.2 1 2269 236 236 VAL N N 121.46 0.007 1 2270 237 237 GLU H H 8.121 0.001 1 2271 237 237 GLU HA H 3.991 0.02 1 2272 237 237 GLU HB2 H 2.226 0.02 1 2273 237 237 GLU HB3 H 2.226 0.02 1 2274 237 237 GLU HG2 H 2.398 0.02 1 2275 237 237 GLU HG3 H 2.454 0.02 1 2276 237 237 GLU CA C 60.011 0.2 1 2277 237 237 GLU CB C 29.352 0.2 1 2278 237 237 GLU CG C 36.312 0.2 1 2279 237 237 GLU N N 119.28 0.012 1 2280 238 238 ASP H H 8.471 0.002 1 2281 238 238 ASP HA H 4.432 0.02 1 2282 238 238 ASP HB2 H 2.652 0.02 1 2283 238 238 ASP HB3 H 2.982 0.02 1 2284 238 238 ASP CA C 57.597 0.2 1 2285 238 238 ASP CB C 40.742 0.2 1 2286 238 238 ASP N N 120.822 0.014 1 2287 239 239 TYR H H 8.539 0.002 1 2288 239 239 TYR HA H 4.084 0.02 1 2289 239 239 TYR HB2 H 2.805 0.02 1 2290 239 239 TYR HB3 H 3.046 0.02 1 2291 239 239 TYR CA C 64.172 0.2 1 2292 239 239 TYR CB C 38.059 0.2 1 2293 239 239 TYR N N 119.388 0.019 1 2294 240 240 LYS H H 9.185 0.003 1 2295 240 240 LYS HA H 3.969 0.02 1 2296 240 240 LYS HB2 H 1.982 0.02 1 2297 240 240 LYS HB3 H 1.982 0.02 1 2298 240 240 LYS HG2 H 1.408 0.02 1 2299 240 240 LYS HG3 H 1.707 0.02 1 2300 240 240 LYS HD2 H 1.699 0.02 1 2301 240 240 LYS HD3 H 1.699 0.02 1 2302 240 240 LYS CA C 60.814 0.2 1 2303 240 240 LYS CB C 32.24 0.2 1 2304 240 240 LYS CG C 26.367 0.2 1 2305 240 240 LYS CD C 29.806 0.2 1 2306 240 240 LYS N N 123.173 0.015 1 2307 241 241 SER H H 7.853 0.002 1 2308 241 241 SER HA H 4.382 0.02 1 2309 241 241 SER HB2 H 4.086 0.02 1 2310 241 241 SER HB3 H 4.086 0.02 1 2311 241 241 SER CA C 61.63 0.2 1 2312 241 241 SER CB C 62.762 0.2 1 2313 241 241 SER N N 115.089 0.009 1 2314 242 242 LYS H H 7.92 0.002 1 2315 242 242 LYS HA H 4.024 0.02 1 2316 242 242 LYS HB2 H 1.796 0.02 1 2317 242 242 LYS HB3 H 1.796 0.02 1 2318 242 242 LYS HG2 H 1.3 0.02 1 2319 242 242 LYS HG3 H 1.471 0.02 1 2320 242 242 LYS HD2 H 1.117 0.02 1 2321 242 242 LYS HD3 H 1.41 0.02 1 2322 242 242 LYS HE2 H 2.689 0.02 1 2323 242 242 LYS HE3 H 2.689 0.02 1 2324 242 242 LYS CA C 59.827 0.2 1 2325 242 242 LYS CB C 33.151 0.2 1 2326 242 242 LYS CG C 25.523 0.2 1 2327 242 242 LYS CD C 29.57 0.2 1 2328 242 242 LYS CE C 41.868 0.2 1 2329 242 242 LYS N N 123.16 0.004 1 2330 243 243 LYS H H 8.614 0.001 1 2331 243 243 LYS HA H 3.957 0.02 1 2332 243 243 LYS HB2 H 1.831 0.02 1 2333 243 243 LYS HB3 H 2.231 0.02 1 2334 243 243 LYS HG2 H 1.458 0.02 1 2335 243 243 LYS HG3 H 1.697 0.02 1 2336 243 243 LYS HE2 H 3.065 0.02 1 2337 243 243 LYS HE3 H 3.065 0.02 1 2338 243 243 LYS CA C 60.365 0.2 1 2339 243 243 LYS CB C 33.59 0.2 1 2340 243 243 LYS CG C 25.128 0.2 1 2341 243 243 LYS CE C 42.566 0.2 1 2342 243 243 LYS N N 121.319 0.018 1 2343 244 244 GLU H H 8.063 0 1 2344 244 244 GLU HA H 4.188 0.02 1 2345 244 244 GLU HB2 H 2.194 0.02 1 2346 244 244 GLU HB3 H 2.194 0.02 1 2347 244 244 GLU HG2 H 2.359 0.02 1 2348 244 244 GLU HG3 H 2.518 0.02 1 2349 244 244 GLU CA C 59.03 0.2 1 2350 244 244 GLU CB C 29.738 0.2 1 2351 244 244 GLU CG C 36.583 0.2 1 2352 244 244 GLU N N 117.834 0.017 1 2353 245 245 SER H H 7.913 0.003 1 2354 245 245 SER HA H 4.36 0.02 1 2355 245 245 SER HB2 H 4.005 0.02 1 2356 245 245 SER HB3 H 4.005 0.02 1 2357 245 245 SER CA C 60.702 0.2 1 2358 245 245 SER CB C 63.569 0.2 1 2359 245 245 SER N N 113.012 0.016 1 2360 246 246 TYR H H 7.896 0.003 1 2361 246 246 TYR HA H 4.457 0.02 1 2362 246 246 TYR HB2 H 3.204 0.02 1 2363 246 246 TYR HB3 H 3.204 0.02 1 2364 246 246 TYR CA C 59.864 0.2 1 2365 246 246 TYR CB C 38.934 0.2 1 2366 246 246 TYR N N 121.654 0.006 1 2367 247 247 GLU H H 7.884 0.002 1 2368 247 247 GLU HA H 4.158 0.02 1 2369 247 247 GLU HB2 H 2.001 0.02 1 2370 247 247 GLU HB3 H 2.165 0.02 1 2371 247 247 GLU HG2 H 2.383 0.02 1 2372 247 247 GLU HG3 H 2.667 0.02 1 2373 247 247 GLU CA C 56.819 0.2 1 2374 247 247 GLU CB C 30.39 0.2 1 2375 247 247 GLU CG C 36.962 0.2 1 2376 247 247 GLU N N 119.849 0.008 1 2377 248 248 LYS H H 7.529 0.001 1 2378 248 248 LYS HA H 4.118 0.02 1 2379 248 248 LYS HB2 H 1.851 0.02 1 2380 248 248 LYS HB3 H 1.851 0.02 1 2381 248 248 LYS HG2 H 1.502 0.02 1 2382 248 248 LYS HG3 H 1.502 0.02 1 2383 248 248 LYS HD2 H 1.739 0.02 1 2384 248 248 LYS HD3 H 1.739 0.02 1 2385 248 248 LYS CA C 58.292 0.2 1 2386 248 248 LYS CB C 33.535 0.2 1 2387 248 248 LYS CG C 24.914 0.2 1 2388 248 248 LYS CD C 29.414 0.2 1 2389 248 248 LYS N N 126.182 0.01 1 stop_ save_