data_27048 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; DERA K58EY96W monomer mutant ; _BMRB_accession_number 27048 _BMRB_flat_file_name bmr27048.str _Entry_type original _Submission_date 2017-03-17 _Accession_date 2017-03-17 _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 Schulte Marianne . . 2 Panwalkar Vineet . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1328 "13C chemical shifts" 1077 "15N chemical shifts" 259 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-02-06 update BMRB 'update entry citation' 2017-06-30 original author 'original release' stop_ _Original_release_date 2017-03-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C, and 15N backbone and sidechain resonance assignments of a monomeric variant of E. coli deoxyribose-5-phosphate aldolase ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28560616 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schulte Marianne . . 2 Stoldt Matthias . . 3 Neudecker Philipp . . 4 Pietruszka Joerg . . 5 Willbold Dieter . . 6 Panwalkar Vineet . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 11 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 197 _Page_last 201 _Year 2017 _Details . loop_ _Keyword DERA 'Enzyme catalysis' 'NMR assignments' 'Pentose-phosphate pathway' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name MS1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Molecule 1' $Molecule_1 stop_ _System_molecular_weight 27908.8451 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Molecule_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Molecule_1 _Molecular_mass 27908.8451 _Mol_thiol_state 'all free' _Details 'Deoxyribose-phosphate aldolase' ############################## # Polymer residue sequence # ############################## _Residue_count 259 _Mol_residue_sequence ; MTDLKASSLRALKLMDLTTL NDDDTDEKVIALCHQAKTPV GNTAAICIYPRFIPIARETL KEQGTPEIRIATVTNFPHGN DDIDIALAETRAAIAWGADE VDVVFPYRALMAGNEQVGFD LVKACKEACAAANVLLKVII ETGELKDEALIRKASEISIK AGADFIKTSTGKVAVNATPE SARIMMEVIRDMGVEKTVGF KPAGGVRTAEDAQKYLAIAD ELFGADWADARHYRFGASSL LASLLKALGHGDGKSASSY ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 THR 3 3 ASP 4 4 LEU 5 5 LYS 6 6 ALA 7 7 SER 8 8 SER 9 9 LEU 10 10 ARG 11 11 ALA 12 12 LEU 13 13 LYS 14 14 LEU 15 15 MET 16 16 ASP 17 17 LEU 18 18 THR 19 19 THR 20 20 LEU 21 21 ASN 22 22 ASP 23 23 ASP 24 24 ASP 25 25 THR 26 26 ASP 27 27 GLU 28 28 LYS 29 29 VAL 30 30 ILE 31 31 ALA 32 32 LEU 33 33 CYS 34 34 HIS 35 35 GLN 36 36 ALA 37 37 LYS 38 38 THR 39 39 PRO 40 40 VAL 41 41 GLY 42 42 ASN 43 43 THR 44 44 ALA 45 45 ALA 46 46 ILE 47 47 CYS 48 48 ILE 49 49 TYR 50 50 PRO 51 51 ARG 52 52 PHE 53 53 ILE 54 54 PRO 55 55 ILE 56 56 ALA 57 57 ARG 58 58 GLU 59 59 THR 60 60 LEU 61 61 LYS 62 62 GLU 63 63 GLN 64 64 GLY 65 65 THR 66 66 PRO 67 67 GLU 68 68 ILE 69 69 ARG 70 70 ILE 71 71 ALA 72 72 THR 73 73 VAL 74 74 THR 75 75 ASN 76 76 PHE 77 77 PRO 78 78 HIS 79 79 GLY 80 80 ASN 81 81 ASP 82 82 ASP 83 83 ILE 84 84 ASP 85 85 ILE 86 86 ALA 87 87 LEU 88 88 ALA 89 89 GLU 90 90 THR 91 91 ARG 92 92 ALA 93 93 ALA 94 94 ILE 95 95 ALA 96 96 TRP 97 97 GLY 98 98 ALA 99 99 ASP 100 100 GLU 101 101 VAL 102 102 ASP 103 103 VAL 104 104 VAL 105 105 PHE 106 106 PRO 107 107 TYR 108 108 ARG 109 109 ALA 110 110 LEU 111 111 MET 112 112 ALA 113 113 GLY 114 114 ASN 115 115 GLU 116 116 GLN 117 117 VAL 118 118 GLY 119 119 PHE 120 120 ASP 121 121 LEU 122 122 VAL 123 123 LYS 124 124 ALA 125 125 CYS 126 126 LYS 127 127 GLU 128 128 ALA 129 129 CYS 130 130 ALA 131 131 ALA 132 132 ALA 133 133 ASN 134 134 VAL 135 135 LEU 136 136 LEU 137 137 LYS 138 138 VAL 139 139 ILE 140 140 ILE 141 141 GLU 142 142 THR 143 143 GLY 144 144 GLU 145 145 LEU 146 146 LYS 147 147 ASP 148 148 GLU 149 149 ALA 150 150 LEU 151 151 ILE 152 152 ARG 153 153 LYS 154 154 ALA 155 155 SER 156 156 GLU 157 157 ILE 158 158 SER 159 159 ILE 160 160 LYS 161 161 ALA 162 162 GLY 163 163 ALA 164 164 ASP 165 165 PHE 166 166 ILE 167 167 LYS 168 168 THR 169 169 SER 170 170 THR 171 171 GLY 172 172 LYS 173 173 VAL 174 174 ALA 175 175 VAL 176 176 ASN 177 177 ALA 178 178 THR 179 179 PRO 180 180 GLU 181 181 SER 182 182 ALA 183 183 ARG 184 184 ILE 185 185 MET 186 186 MET 187 187 GLU 188 188 VAL 189 189 ILE 190 190 ARG 191 191 ASP 192 192 MET 193 193 GLY 194 194 VAL 195 195 GLU 196 196 LYS 197 197 THR 198 198 VAL 199 199 GLY 200 200 PHE 201 201 LYS 202 202 PRO 203 203 ALA 204 204 GLY 205 205 GLY 206 206 VAL 207 207 ARG 208 208 THR 209 209 ALA 210 210 GLU 211 211 ASP 212 212 ALA 213 213 GLN 214 214 LYS 215 215 TYR 216 216 LEU 217 217 ALA 218 218 ILE 219 219 ALA 220 220 ASP 221 221 GLU 222 222 LEU 223 223 PHE 224 224 GLY 225 225 ALA 226 226 ASP 227 227 TRP 228 228 ALA 229 229 ASP 230 230 ALA 231 231 ARG 232 232 HIS 233 233 TYR 234 234 ARG 235 235 PHE 236 236 GLY 237 237 ALA 238 238 SER 239 239 SER 240 240 LEU 241 241 LEU 242 242 ALA 243 243 SER 244 244 LEU 245 245 LEU 246 246 LYS 247 247 ALA 248 248 LEU 249 249 GLY 250 250 HIS 251 251 GLY 252 252 ASP 253 253 GLY 254 254 LYS 255 255 SER 256 256 ALA 257 257 SER 258 258 SER 259 259 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB TmpAcc TmpAcc . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Molecule_1 enterobacteria 562 Bacteria . Escherichia coli 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 _Details $Molecule_1 'recombinant technology' 'Escherichia coli' Escherichia coli 'BL21 (DE3) T1' 'pET 1515b-Kombi-P' 'Deoxyribose-phosphate aldolase' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_DERAmonomer _Saveframe_category sample _Sample_type solution _Details 0.8mM loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Molecule_1 0.8 mM '[U-13C; U-15N]' HEPES 50.0 mM 'natural abundance' TSP 1.0 mM '[U-99% 2H]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.4 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'Chemical shift assignment' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMRS _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC/HMQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC/HMQC' _Sample_label $DERAmonomer save_ save_2D_1H-13C_HSQC/HMQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC/HMQC' _Sample_label $DERAmonomer save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $DERAmonomer save_ save_2D_1H-13C_HSQC/HMQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC/HMQC' _Sample_label $DERAmonomer save_ ####################### # Sample conditions # ####################### save_DERAmonomer_1 _Saveframe_category sample_conditions _Details '50 mM HEPES, 1 mM TSP, pH 6.8' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.800 . pH pressure 1.000 . atm temperature 298.000 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_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 TSP C 13 'methyl protons' ppm 0.0 external indirect . . . 0.251 TSP H 1 'methyl protons' ppm 0.0 internal indirect . . . 1.000 TSP N 15 'methyl protons' ppm 0.0 external indirect . . . 0.101 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CcpNmr_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC/HMQC' '2D 1H-13C HSQC/HMQC' '3D HNCO' stop_ loop_ _Sample_label $DERAmonomer stop_ _Sample_conditions_label $DERAmonomer_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Molecule 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 H H 8.684 0.005 1 2 1 1 MET HA H 4.561 0.005 1 3 1 1 MET HB2 H 2.077 0.005 2 4 1 1 MET HB3 H 2.133 0.005 2 5 1 1 MET HG2 H 2.669 0.005 2 6 1 1 MET HG3 H 2.598 0.005 2 7 1 1 MET C C 176.636 0.005 1 8 1 1 MET CA C 55.747 0.005 1 9 1 1 MET CB C 32.805 0.005 1 10 1 1 MET CG C 32.139 0.005 1 11 1 1 MET N N 120.680 0.02 1 12 2 2 THR H H 8.087 0.005 1 13 2 2 THR HA H 4.289 0.005 1 14 2 2 THR HB H 4.267 0.005 1 15 2 2 THR HG2 H 1.218 0.005 1 16 2 2 THR C C 174.455 0.005 1 17 2 2 THR CA C 62.224 0.005 1 18 2 2 THR CB C 69.823 0.005 1 19 2 2 THR CG2 C 21.739 0.005 1 20 2 2 THR N N 115.476 0.02 1 21 3 3 ASP H H 8.291 0.005 1 22 3 3 ASP HA H 4.618 0.005 1 23 3 3 ASP HB2 H 2.809 0.005 1 24 3 3 ASP HB3 H 2.809 0.005 1 25 3 3 ASP C C 176.782 0.005 1 26 3 3 ASP CA C 54.546 0.005 1 27 3 3 ASP CB C 41.654 0.005 1 28 3 3 ASP N N 122.901 0.02 1 29 4 4 LEU H H 8.591 0.005 1 30 4 4 LEU HA H 4.300 0.005 1 31 4 4 LEU HB2 H 1.657 0.005 1 32 4 4 LEU HB3 H 1.657 0.005 1 33 4 4 LEU HG H 1.507 0.005 1 34 4 4 LEU HD1 H 0.838 0.005 2 35 4 4 LEU HD2 H 0.787 0.005 2 36 4 4 LEU C C 180.004 0.005 1 37 4 4 LEU CA C 56.592 0.005 1 38 4 4 LEU CB C 42.423 0.005 1 39 4 4 LEU CG C 27.128 0.005 1 40 4 4 LEU CD1 C 24.857 0.005 2 41 4 4 LEU CD2 C 24.146 0.005 2 42 4 4 LEU N N 124.720 0.02 1 43 5 5 LYS H H 8.457 0.005 1 44 5 5 LYS HA H 3.820 0.005 1 45 5 5 LYS HB2 H 2.037 0.005 2 46 5 5 LYS HB3 H 1.859 0.005 2 47 5 5 LYS HG2 H 1.649 0.005 2 48 5 5 LYS HG3 H 1.446 0.005 2 49 5 5 LYS HD2 H 1.798 0.005 1 50 5 5 LYS HD3 H 1.798 0.005 1 51 5 5 LYS HE2 H 3.064 0.005 2 52 5 5 LYS HE3 H 2.668 0.005 2 53 5 5 LYS C C 178.101 0.005 1 54 5 5 LYS CA C 61.125 0.005 1 55 5 5 LYS CB C 31.850 0.005 1 56 5 5 LYS CG C 26.239 0.005 1 57 5 5 LYS CD C 29.579 0.005 1 58 5 5 LYS CE C 41.098 0.005 1 59 5 5 LYS N N 122.947 0.02 1 60 6 6 ALA H H 8.087 0.005 1 61 6 6 ALA HA H 4.116 0.005 1 62 6 6 ALA HB H 1.507 0.005 1 63 6 6 ALA C C 181.798 0.005 1 64 6 6 ALA CA C 55.330 0.005 1 65 6 6 ALA CB C 18.142 0.005 1 66 6 6 ALA N N 122.405 0.02 1 67 7 7 SER H H 8.465 0.005 1 68 7 7 SER HA H 4.093 0.005 1 69 7 7 SER HB2 H 3.952 0.005 1 70 7 7 SER HB3 H 3.952 0.005 1 71 7 7 SER CA C 61.798 0.005 1 72 7 7 SER CB C 63.061 0.005 1 73 7 7 SER N N 113.446 0.02 1 74 8 8 SER H H 7.933 0.005 1 75 8 8 SER HA H 4.255 0.005 1 76 8 8 SER C C 174.771 0.005 1 77 8 8 SER CA C 62.758 0.005 1 78 8 8 SER N N 118.229 0.02 1 79 9 9 LEU H H 7.743 0.005 1 80 9 9 LEU HA H 4.034 0.005 1 81 9 9 LEU HB2 H 1.861 0.005 2 82 9 9 LEU HB3 H 1.587 0.005 2 83 9 9 LEU HG H 1.654 0.005 1 84 9 9 LEU HD1 H 0.988 0.005 2 85 9 9 LEU HD2 H 0.989 0.005 2 86 9 9 LEU C C 177.387 0.005 1 87 9 9 LEU CA C 57.737 0.005 1 88 9 9 LEU CB C 41.950 0.005 1 89 9 9 LEU CG C 27.178 0.005 1 90 9 9 LEU CD1 C 23.569 0.005 2 91 9 9 LEU CD2 C 25.398 0.005 2 92 9 9 LEU N N 122.614 0.02 1 93 10 10 ARG H H 7.271 0.005 1 94 10 10 ARG HA H 3.945 0.005 1 95 10 10 ARG HB2 H 1.886 0.005 2 96 10 10 ARG HB3 H 1.955 0.005 2 97 10 10 ARG HG2 H 1.483 0.005 1 98 10 10 ARG HG3 H 1.483 0.005 1 99 10 10 ARG HD2 H 3.145 0.005 1 100 10 10 ARG HD3 H 3.145 0.005 1 101 10 10 ARG C C 178.557 0.005 1 102 10 10 ARG CA C 59.292 0.005 1 103 10 10 ARG CB C 31.407 0.005 1 104 10 10 ARG CG C 26.860 0.005 1 105 10 10 ARG CD C 44.491 0.005 1 106 10 10 ARG N N 116.852 0.02 1 107 11 11 ALA H H 8.427 0.005 1 108 11 11 ALA HA H 3.996 0.005 1 109 11 11 ALA HB H 1.140 0.005 1 110 11 11 ALA C C 178.626 0.005 1 111 11 11 ALA CA C 55.016 0.005 1 112 11 11 ALA CB C 19.502 0.005 1 113 11 11 ALA N N 117.324 0.02 1 114 12 12 LEU H H 7.819 0.005 1 115 12 12 LEU HA H 3.519 0.005 1 116 12 12 LEU HB2 H 1.733 0.005 1 117 12 12 LEU HB3 H 1.733 0.005 1 118 12 12 LEU HG H 1.454 0.005 1 119 12 12 LEU HD1 H 0.504 0.005 2 120 12 12 LEU HD2 H 0.694 0.005 2 121 12 12 LEU C C 179.035 0.005 1 122 12 12 LEU CA C 60.268 0.005 1 123 12 12 LEU CB C 43.035 0.005 1 124 12 12 LEU CG C 28.931 0.005 1 125 12 12 LEU CD1 C 24.147 0.005 2 126 12 12 LEU CD2 C 27.765 0.005 2 127 12 12 LEU N N 119.609 0.02 1 128 13 13 LYS H H 7.147 0.005 1 129 13 13 LYS HA H 4.447 0.005 1 130 13 13 LYS HB2 H 2.133 0.005 2 131 13 13 LYS HB3 H 1.767 0.005 2 132 13 13 LYS HG2 H 1.582 0.005 2 133 13 13 LYS HG3 H 1.819 0.005 2 134 13 13 LYS HD2 H 1.821 0.005 1 135 13 13 LYS HD3 H 1.821 0.005 1 136 13 13 LYS HE2 H 3.042 0.005 1 137 13 13 LYS HE3 H 3.042 0.005 1 138 13 13 LYS C C 176.361 0.005 1 139 13 13 LYS CA C 57.709 0.005 1 140 13 13 LYS CB C 32.630 0.005 1 141 13 13 LYS CG C 25.746 0.005 1 142 13 13 LYS CD C 29.566 0.005 1 143 13 13 LYS CE C 42.209 0.005 1 144 13 13 LYS N N 114.978 0.02 1 145 14 14 LEU H H 7.469 0.005 1 146 14 14 LEU HA H 4.742 0.005 1 147 14 14 LEU HB2 H 2.220 0.005 2 148 14 14 LEU HB3 H 1.890 0.005 2 149 14 14 LEU HG H 2.003 0.005 1 150 14 14 LEU HD1 H 0.888 0.005 2 151 14 14 LEU HD2 H 0.753 0.005 2 152 14 14 LEU C C 177.547 0.005 1 153 14 14 LEU CA C 53.490 0.005 1 154 14 14 LEU CB C 42.348 0.005 1 155 14 14 LEU CG C 26.350 0.005 1 156 14 14 LEU CD1 C 25.510 0.005 2 157 14 14 LEU CD2 C 25.509 0.005 2 158 14 14 LEU N N 116.578 0.02 1 159 15 15 MET H H 7.786 0.005 1 160 15 15 MET HA H 4.370 0.005 1 161 15 15 MET HB2 H 3.005 0.005 2 162 15 15 MET HB3 H 2.360 0.005 2 163 15 15 MET C C 175.447 0.005 1 164 15 15 MET CA C 59.324 0.005 1 165 15 15 MET CB C 33.802 0.005 1 166 15 15 MET N N 119.664 0.02 1 167 16 16 ASP H H 9.045 0.005 1 168 16 16 ASP HA H 4.590 0.005 1 169 16 16 ASP HB2 H 2.319 0.005 2 170 16 16 ASP HB3 H 1.702 0.005 2 171 16 16 ASP C C 175.893 0.005 1 172 16 16 ASP CA C 52.848 0.005 1 173 16 16 ASP CB C 38.851 0.005 1 174 16 16 ASP N N 124.264 0.02 1 175 17 17 LEU H H 8.458 0.005 1 176 17 17 LEU HA H 4.545 0.005 1 177 17 17 LEU C C 176.678 0.005 1 178 17 17 LEU CA C 56.692 0.005 1 179 17 17 LEU CB C 42.543 0.005 1 180 17 17 LEU CG C 26.516 0.005 1 181 17 17 LEU CD1 C 24.173 0.005 1 182 17 17 LEU CD2 C 24.173 0.005 1 183 17 17 LEU N N 128.805 0.02 1 184 18 18 THR H H 8.224 0.005 1 185 18 18 THR HA H 5.065 0.005 1 186 18 18 THR HB H 3.577 0.005 1 187 18 18 THR HG2 H 0.746 0.005 1 188 18 18 THR C C 175.041 0.005 1 189 18 18 THR CA C 64.138 0.005 1 190 18 18 THR CB C 72.080 0.005 1 191 18 18 THR CG2 C 20.386 0.005 1 192 18 18 THR N N 125.480 0.02 1 193 19 19 THR H H 8.255 0.005 1 194 19 19 THR HA H 4.238 0.005 1 195 19 19 THR HB H 3.841 0.005 1 196 19 19 THR HG2 H 1.218 0.005 1 197 19 19 THR C C 171.028 0.005 1 198 19 19 THR CA C 62.770 0.005 1 199 19 19 THR CB C 70.441 0.005 1 200 19 19 THR CG2 C 20.669 0.005 1 201 19 19 THR N N 122.191 0.02 1 202 20 20 LEU H H 8.409 0.005 1 203 20 20 LEU HA H 4.225 0.005 1 204 20 20 LEU HB2 H 0.921 0.005 2 205 20 20 LEU HB3 H 1.194 0.005 2 206 20 20 LEU HG H 0.846 0.005 1 207 20 20 LEU HD1 H -0.307 0.005 2 208 20 20 LEU HD2 H 0.241 0.005 2 209 20 20 LEU C C 175.894 0.005 1 210 20 20 LEU CA C 52.753 0.005 1 211 20 20 LEU CB C 42.899 0.005 1 212 20 20 LEU CG C 25.541 0.005 1 213 20 20 LEU CD1 C 22.081 0.005 2 214 20 20 LEU CD2 C 27.149 0.005 2 215 20 20 LEU N N 133.014 0.02 1 216 21 21 ASN H H 8.723 0.005 1 217 21 21 ASN HA H 5.243 0.005 1 218 21 21 ASN HB2 H 2.867 0.005 1 219 21 21 ASN HB3 H 2.867 0.005 1 220 21 21 ASN HD21 H 8.260 0.005 1 221 21 21 ASN HD22 H 7.026 0.005 1 222 21 21 ASN CA C 51.973 0.005 1 223 21 21 ASN CB C 40.791 0.005 1 224 21 21 ASN CG C 177.081 0.005 1 225 21 21 ASN N N 122.101 0.02 1 226 21 21 ASN ND2 N 119.662 0.02 1 227 22 22 ASP HA H 4.455 0.005 1 228 22 22 ASP HB2 H 2.784 0.005 2 229 22 22 ASP HB3 H 2.658 0.005 2 230 22 22 ASP C C 176.268 0.005 1 231 22 22 ASP CA C 56.931 0.005 1 232 22 22 ASP CB C 40.199 0.005 1 233 23 23 ASP H H 8.180 0.005 1 234 23 23 ASP HA H 4.717 0.005 1 235 23 23 ASP HB2 H 3.009 0.005 2 236 23 23 ASP HB3 H 2.545 0.005 2 237 23 23 ASP C C 176.465 0.005 1 238 23 23 ASP CA C 52.247 0.005 1 239 23 23 ASP CB C 39.483 0.005 1 240 23 23 ASP N N 114.987 0.02 1 241 24 24 ASP H H 7.292 0.005 1 242 24 24 ASP HA H 4.476 0.005 1 243 24 24 ASP HB2 H 2.083 0.005 2 244 24 24 ASP HB3 H 2.884 0.005 2 245 24 24 ASP C C 175.179 0.005 1 246 24 24 ASP CA C 57.308 0.005 1 247 24 24 ASP CB C 41.234 0.005 1 248 24 24 ASP N N 120.031 0.02 1 249 25 25 THR H H 6.276 0.005 1 250 25 25 THR HA H 4.869 0.005 1 251 25 25 THR HB H 4.694 0.005 1 252 25 25 THR HG2 H 1.334 0.005 1 253 25 25 THR C C 174.586 0.005 1 254 25 25 THR CA C 58.739 0.005 1 255 25 25 THR CB C 73.787 0.005 1 256 25 25 THR CG2 C 21.985 0.005 1 257 25 25 THR N N 107.530 0.02 1 258 26 26 ASP H H 9.058 0.005 1 259 26 26 ASP HA H 4.061 0.005 1 260 26 26 ASP HB2 H 2.714 0.005 2 261 26 26 ASP HB3 H 2.609 0.005 2 262 26 26 ASP C C 177.663 0.005 1 263 26 26 ASP CA C 58.239 0.005 1 264 26 26 ASP CB C 39.973 0.005 1 265 26 26 ASP N N 121.700 0.02 1 266 27 27 GLU H H 8.520 0.005 1 267 27 27 GLU HA H 3.858 0.005 1 268 27 27 GLU HB2 H 2.046 0.005 2 269 27 27 GLU HB3 H 1.935 0.005 2 270 27 27 GLU HG2 H 2.315 0.005 1 271 27 27 GLU HG3 H 2.315 0.005 1 272 27 27 GLU C C 179.501 0.005 1 273 27 27 GLU CA C 60.372 0.005 1 274 27 27 GLU CB C 29.322 0.005 1 275 27 27 GLU CG C 36.804 0.005 1 276 27 27 GLU N N 116.976 0.02 1 277 28 28 LYS H H 7.573 0.005 1 278 28 28 LYS HA H 4.062 0.005 1 279 28 28 LYS HB2 H 1.913 0.005 1 280 28 28 LYS HB3 H 1.913 0.005 1 281 28 28 LYS HG2 H 1.588 0.005 2 282 28 28 LYS HG3 H 1.514 0.005 2 283 28 28 LYS HD2 H 1.782 0.005 2 284 28 28 LYS HD3 H 1.759 0.005 2 285 28 28 LYS HE2 H 2.999 0.005 1 286 28 28 LYS HE3 H 2.999 0.005 1 287 28 28 LYS C C 179.491 0.005 1 288 28 28 LYS CA C 58.693 0.005 1 289 28 28 LYS CB C 32.867 0.005 1 290 28 28 LYS CG C 25.415 0.005 1 291 28 28 LYS CD C 29.233 0.005 1 292 28 28 LYS CE C 42.050 0.005 1 293 28 28 LYS N N 120.133 0.02 1 294 29 29 VAL H H 7.784 0.005 1 295 29 29 VAL HA H 3.405 0.005 1 296 29 29 VAL HB H 1.884 0.005 1 297 29 29 VAL HG1 H 0.777 0.005 2 298 29 29 VAL HG2 H 0.255 0.005 2 299 29 29 VAL C C 177.729 0.005 1 300 29 29 VAL CA C 67.019 0.005 1 301 29 29 VAL CB C 31.277 0.005 1 302 29 29 VAL CG1 C 21.775 0.005 2 303 29 29 VAL CG2 C 21.838 0.005 2 304 29 29 VAL N N 122.803 0.02 1 305 30 30 ILE H H 8.851 0.005 1 306 30 30 ILE HA H 3.304 0.005 1 307 30 30 ILE HB H 1.655 0.005 1 308 30 30 ILE HG12 H 1.071 0.005 1 309 30 30 ILE HG13 H 1.071 0.005 1 310 30 30 ILE HG2 H 0.643 0.005 1 311 30 30 ILE HD1 H 0.762 0.005 1 312 30 30 ILE C C 177.558 0.005 1 313 30 30 ILE CA C 66.637 0.005 1 314 30 30 ILE CB C 38.446 0.005 1 315 30 30 ILE CG1 C 29.133 0.005 1 316 30 30 ILE CG2 C 17.038 0.005 1 317 30 30 ILE CD1 C 13.723 0.005 1 318 30 30 ILE N N 124.403 0.02 1 319 31 31 ALA H H 7.535 0.005 1 320 31 31 ALA HA H 3.981 0.005 1 321 31 31 ALA HB H 1.448 0.005 1 322 31 31 ALA C C 180.398 0.005 1 323 31 31 ALA CA C 55.298 0.005 1 324 31 31 ALA CB C 17.671 0.005 1 325 31 31 ALA N N 119.456 0.02 1 326 32 32 LEU H H 7.669 0.005 1 327 32 32 LEU HA H 3.959 0.005 1 328 32 32 LEU HD1 H 0.756 0.005 2 329 32 32 LEU HD2 H 0.764 0.005 2 330 32 32 LEU C C 178.733 0.005 1 331 32 32 LEU CA C 58.202 0.005 1 332 32 32 LEU CB C 42.964 0.005 1 333 32 32 LEU CG C 27.088 0.005 1 334 32 32 LEU CD1 C 27.024 0.005 2 335 32 32 LEU CD2 C 25.128 0.005 2 336 32 32 LEU N N 122.393 0.02 1 337 33 33 CYS H H 8.080 0.005 1 338 33 33 CYS HA H 3.779 0.005 1 339 33 33 CYS HB2 H 3.299 0.005 2 340 33 33 CYS HB3 H 2.098 0.005 2 341 33 33 CYS C C 177.550 0.005 1 342 33 33 CYS CA C 64.618 0.005 1 343 33 33 CYS CB C 27.206 0.005 1 344 33 33 CYS N N 115.517 0.02 1 345 34 34 HIS H H 7.780 0.005 1 346 34 34 HIS HA H 5.145 0.005 1 347 34 34 HIS HB2 H 3.427 0.005 2 348 34 34 HIS HB3 H 3.227 0.005 2 349 34 34 HIS HD2 H 7.487 0.005 1 350 34 34 HIS HE1 H 8.618 0.005 1 351 34 34 HIS C C 177.842 0.005 1 352 34 34 HIS CA C 56.384 0.005 1 353 34 34 HIS CB C 28.414 0.005 1 354 34 34 HIS CD2 C 119.518 0.005 1 355 34 34 HIS CE1 C 136.547 0.005 1 356 34 34 HIS N N 116.245 0.02 1 357 35 35 GLN H H 8.017 0.005 1 358 35 35 GLN HA H 3.988 0.005 1 359 35 35 GLN HB2 H 2.102 0.005 2 360 35 35 GLN HB3 H 2.259 0.005 2 361 35 35 GLN HG2 H 2.554 0.005 2 362 35 35 GLN HG3 H 2.353 0.005 2 363 35 35 GLN HE21 H 7.191 0.005 1 364 35 35 GLN HE22 H 6.613 0.005 1 365 35 35 GLN C C 175.805 0.005 1 366 35 35 GLN CA C 57.877 0.005 1 367 35 35 GLN CB C 28.988 0.005 1 368 35 35 GLN CG C 34.751 0.005 1 369 35 35 GLN CD C 180.222 0.005 1 370 35 35 GLN N N 119.879 0.02 1 371 35 35 GLN NE2 N 109.712 0.02 1 372 36 36 ALA H H 7.315 0.005 1 373 36 36 ALA HA H 3.939 0.005 1 374 36 36 ALA HB H 1.450 0.005 1 375 36 36 ALA C C 175.541 0.005 1 376 36 36 ALA CA C 53.751 0.005 1 377 36 36 ALA CB C 18.758 0.005 1 378 36 36 ALA N N 118.534 0.02 1 379 37 37 LYS H H 6.749 0.005 1 380 37 37 LYS HA H 5.041 0.005 1 381 37 37 LYS HB2 H 2.001 0.005 2 382 37 37 LYS HB3 H 1.400 0.005 2 383 37 37 LYS HG2 H 1.107 0.005 2 384 37 37 LYS HG3 H 1.156 0.005 2 385 37 37 LYS HD2 H 1.629 0.005 2 386 37 37 LYS HD3 H 1.419 0.005 2 387 37 37 LYS HE2 H 3.017 0.005 2 388 37 37 LYS HE3 H 2.947 0.005 2 389 37 37 LYS C C 175.035 0.005 1 390 37 37 LYS CA C 53.664 0.005 1 391 37 37 LYS CB C 33.160 0.005 1 392 37 37 LYS CG C 25.101 0.005 1 393 37 37 LYS CD C 30.161 0.005 1 394 37 37 LYS CE C 42.516 0.005 1 395 37 37 LYS N N 117.251 0.02 1 396 38 38 THR H H 7.574 0.005 1 397 38 38 THR HA H 5.165 0.005 1 398 38 38 THR HB H 4.524 0.005 1 399 38 38 THR HG2 H 1.532 0.005 1 400 38 38 THR CA C 60.633 0.005 1 401 38 38 THR CB C 68.338 0.005 1 402 38 38 THR CG2 C 20.920 0.005 1 403 38 38 THR N N 116.932 0.02 1 404 39 39 PRO HA H 4.368 0.005 1 405 39 39 PRO HB2 H 2.372 0.005 2 406 39 39 PRO HB3 H 1.134 0.005 2 407 39 39 PRO HG2 H 1.684 0.005 2 408 39 39 PRO HG3 H 1.958 0.005 2 409 39 39 PRO HD2 H 4.021 0.005 2 410 39 39 PRO HD3 H 3.414 0.005 2 411 39 39 PRO C C 177.314 0.005 1 412 39 39 PRO CA C 64.493 0.005 1 413 39 39 PRO CB C 32.572 0.005 1 414 39 39 PRO CG C 27.843 0.005 1 415 39 39 PRO CD C 50.840 0.005 1 416 40 40 VAL H H 7.523 0.005 1 417 40 40 VAL HA H 4.524 0.005 1 418 40 40 VAL HB H 2.412 0.005 1 419 40 40 VAL HG1 H 0.701 0.005 2 420 40 40 VAL HG2 H 0.574 0.005 2 421 40 40 VAL C C 174.372 0.005 1 422 40 40 VAL CA C 59.481 0.005 1 423 40 40 VAL CB C 31.615 0.005 1 424 40 40 VAL CG1 C 21.900 0.005 2 425 40 40 VAL CG2 C 20.056 0.005 2 426 40 40 VAL N N 105.822 0.02 1 427 41 41 GLY H H 6.993 0.005 1 428 41 41 GLY HA2 H 4.333 0.005 2 429 41 41 GLY HA3 H 3.735 0.005 2 430 41 41 GLY C C 172.696 0.005 1 431 41 41 GLY CA C 43.768 0.005 1 432 41 41 GLY N N 108.582 0.02 1 433 42 42 ASN H H 8.678 0.005 1 434 42 42 ASN HA H 6.012 0.005 1 435 42 42 ASN HB2 H 2.687 0.005 2 436 42 42 ASN HB3 H 2.903 0.005 2 437 42 42 ASN HD21 H 7.542 0.005 1 438 42 42 ASN HD22 H 6.534 0.005 1 439 42 42 ASN C C 176.893 0.005 1 440 42 42 ASN CA C 51.623 0.005 1 441 42 42 ASN CB C 40.059 0.005 1 442 42 42 ASN CG C 175.362 0.005 1 443 42 42 ASN N N 120.225 0.02 1 444 42 42 ASN ND2 N 110.971 0.02 1 445 43 43 THR H H 8.004 0.005 1 446 43 43 THR HA H 4.903 0.005 1 447 43 43 THR HB H 5.205 0.005 1 448 43 43 THR HG2 H 1.494 0.005 1 449 43 43 THR C C 173.257 0.005 1 450 43 43 THR CA C 62.693 0.005 1 451 43 43 THR CB C 68.184 0.005 1 452 43 43 THR CG2 C 22.529 0.005 1 453 43 43 THR N N 110.529 0.02 1 454 44 44 ALA H H 7.327 0.005 1 455 44 44 ALA HA H 4.122 0.005 1 456 44 44 ALA HB H 1.442 0.005 1 457 44 44 ALA C C 179.611 0.005 1 458 44 44 ALA CA C 55.048 0.005 1 459 44 44 ALA CB C 17.398 0.005 1 460 44 44 ALA N N 121.927 0.02 1 461 45 45 ALA H H 8.629 0.005 1 462 45 45 ALA HA H 5.382 0.005 1 463 45 45 ALA HB H 1.095 0.005 1 464 45 45 ALA C C 178.051 0.005 1 465 45 45 ALA CA C 50.915 0.005 1 466 45 45 ALA CB C 22.836 0.005 1 467 45 45 ALA N N 117.095 0.02 1 468 46 46 ILE H H 8.516 0.005 1 469 46 46 ILE HA H 5.378 0.005 1 470 46 46 ILE HB H 1.734 0.005 1 471 46 46 ILE HG12 H 1.379 0.005 1 472 46 46 ILE HG13 H 1.379 0.005 1 473 46 46 ILE HG2 H 0.789 0.005 1 474 46 46 ILE HD1 H 0.804 0.005 1 475 46 46 ILE C C 173.775 0.005 1 476 46 46 ILE CA C 58.967 0.005 1 477 46 46 ILE CB C 41.205 0.005 1 478 46 46 ILE CG1 C 25.822 0.005 1 479 46 46 ILE CG2 C 17.830 0.005 1 480 46 46 ILE CD1 C 16.471 0.005 1 481 46 46 ILE N N 114.576 0.02 1 482 47 47 CYS H H 8.356 0.005 1 483 47 47 CYS HA H 5.224 0.005 1 484 47 47 CYS HB2 H 1.796 0.005 2 485 47 47 CYS HB3 H 2.805 0.005 2 486 47 47 CYS C C 172.278 0.005 1 487 47 47 CYS CA C 57.002 0.005 1 488 47 47 CYS CB C 27.616 0.005 1 489 47 47 CYS N N 123.379 0.02 1 490 48 48 ILE H H 7.833 0.005 1 491 48 48 ILE HA H 5.102 0.005 1 492 48 48 ILE HB H 2.187 0.005 1 493 48 48 ILE HG2 H 0.854 0.005 1 494 48 48 ILE HD1 H 0.575 0.005 1 495 48 48 ILE C C 175.925 0.005 1 496 48 48 ILE CA C 58.901 0.005 1 497 48 48 ILE CB C 43.623 0.005 1 498 48 48 ILE CG1 C 23.982 0.005 1 499 48 48 ILE CG2 C 19.764 0.005 1 500 48 48 ILE CD1 C 14.899 0.005 1 501 48 48 ILE N N 119.876 0.02 1 502 49 49 TYR H H 9.090 0.005 1 503 49 49 TYR HA H 4.528 0.005 1 504 49 49 TYR HB2 H 3.191 0.005 2 505 49 49 TYR HB3 H 2.892 0.005 2 506 49 49 TYR HD1 H 7.320 0.005 1 507 49 49 TYR HD2 H 7.320 0.005 1 508 49 49 TYR HE1 H 6.627 0.005 1 509 49 49 TYR HE2 H 6.627 0.005 1 510 49 49 TYR CA C 59.024 0.005 1 511 49 49 TYR CB C 36.711 0.005 1 512 49 49 TYR CD1 C 132.804 0.005 1 513 49 49 TYR CD2 C 132.804 0.005 1 514 49 49 TYR CE1 C 118.607 0.005 1 515 49 49 TYR CE2 C 118.607 0.005 1 516 49 49 TYR N N 121.432 0.02 1 517 50 50 PRO HA H 4.016 0.005 1 518 50 50 PRO HB2 H 1.851 0.005 2 519 50 50 PRO HB3 H 2.158 0.005 2 520 50 50 PRO HG2 H 2.395 0.005 2 521 50 50 PRO HG3 H 2.252 0.005 2 522 50 50 PRO HD2 H 3.730 0.005 2 523 50 50 PRO HD3 H 3.860 0.005 2 524 50 50 PRO C C 176.957 0.005 1 525 50 50 PRO CA C 65.823 0.005 1 526 50 50 PRO CB C 31.970 0.005 1 527 50 50 PRO CG C 27.428 0.005 1 528 50 50 PRO CD C 51.086 0.005 1 529 51 51 ARG H H 7.276 0.005 1 530 51 51 ARG HA H 2.302 0.005 1 531 51 51 ARG HB2 H 1.268 0.005 2 532 51 51 ARG HB3 H 1.026 0.005 2 533 51 51 ARG HG2 H -0.296 0.005 2 534 51 51 ARG HG3 H 0.589 0.005 2 535 51 51 ARG HD2 H 2.666 0.005 1 536 51 51 ARG HD3 H 2.666 0.005 1 537 51 51 ARG C C 176.333 0.005 1 538 51 51 ARG CA C 55.983 0.005 1 539 51 51 ARG CB C 27.967 0.005 1 540 51 51 ARG CG C 24.724 0.005 1 541 51 51 ARG CD C 43.175 0.005 1 542 51 51 ARG N N 110.110 0.02 1 543 52 52 PHE H H 7.347 0.005 1 544 52 52 PHE HA H 4.709 0.005 1 545 52 52 PHE HB2 H 3.418 0.005 2 546 52 52 PHE HB3 H 2.784 0.005 2 547 52 52 PHE HD1 H 7.312 0.005 1 548 52 52 PHE HD2 H 7.312 0.005 1 549 52 52 PHE C C 174.622 0.005 1 550 52 52 PHE CA C 57.512 0.005 1 551 52 52 PHE CB C 40.722 0.005 1 552 52 52 PHE CD1 C 131.612 0.005 1 553 52 52 PHE CD2 C 131.612 0.005 1 554 52 52 PHE N N 117.324 0.02 1 555 53 53 ILE H H 7.828 0.005 1 556 53 53 ILE HA H 3.660 0.005 1 557 53 53 ILE HB H 2.110 0.005 1 558 53 53 ILE CA C 68.248 0.005 1 559 53 53 ILE CB C 35.351 0.005 1 560 53 53 ILE N N 120.490 0.02 1 561 54 54 PRO HA H 4.400 0.005 1 562 54 54 PRO HB2 H 2.052 0.005 2 563 54 54 PRO HB3 H 2.469 0.005 2 564 54 54 PRO HG2 H 2.400 0.005 2 565 54 54 PRO HG3 H 2.318 0.005 2 566 54 54 PRO HD2 H 2.547 0.005 2 567 54 54 PRO HD3 H 2.156 0.005 2 568 54 54 PRO C C 180.236 0.005 1 569 54 54 PRO CA C 67.087 0.005 1 570 54 54 PRO CB C 30.848 0.005 1 571 54 54 PRO CG C 28.473 0.005 1 572 54 54 PRO CD C 49.246 0.005 1 573 55 55 ILE H H 7.889 0.005 1 574 55 55 ILE HA H 4.312 0.005 1 575 55 55 ILE HB H 1.978 0.005 1 576 55 55 ILE HG12 H 1.354 0.005 1 577 55 55 ILE HG13 H 1.354 0.005 1 578 55 55 ILE HG2 H 1.096 0.005 1 579 55 55 ILE HD1 H 0.961 0.005 1 580 55 55 ILE C C 178.756 0.005 1 581 55 55 ILE CA C 61.880 0.005 1 582 55 55 ILE CB C 37.696 0.005 1 583 55 55 ILE CG1 C 30.075 0.005 1 584 55 55 ILE CG2 C 18.392 0.005 1 585 55 55 ILE CD1 C 14.036 0.005 1 586 55 55 ILE N N 117.490 0.02 1 587 56 56 ALA H H 8.322 0.005 1 588 56 56 ALA HA H 4.089 0.005 1 589 56 56 ALA HB H 1.233 0.005 1 590 56 56 ALA C C 178.610 0.005 1 591 56 56 ALA CA C 54.827 0.005 1 592 56 56 ALA CB C 19.119 0.005 1 593 56 56 ALA N N 129.637 0.02 1 594 57 57 ARG H H 9.110 0.005 1 595 57 57 ARG HA H 3.806 0.005 1 596 57 57 ARG HB2 H 1.908 0.005 2 597 57 57 ARG HB3 H 2.110 0.005 2 598 57 57 ARG HG2 H 2.098 0.005 2 599 57 57 ARG HG3 H 1.840 0.005 2 600 57 57 ARG HD2 H 3.280 0.005 1 601 57 57 ARG HD3 H 3.280 0.005 1 602 57 57 ARG C C 179.595 0.005 1 603 57 57 ARG CA C 59.387 0.005 1 604 57 57 ARG CB C 28.376 0.005 1 605 57 57 ARG CG C 25.441 0.005 1 606 57 57 ARG CD C 42.033 0.005 1 607 57 57 ARG N N 119.045 0.02 1 608 58 58 GLU H H 7.846 0.005 1 609 58 58 GLU HA H 4.108 0.005 1 610 58 58 GLU HB2 H 2.151 0.005 1 611 58 58 GLU HB3 H 2.151 0.005 1 612 58 58 GLU HG2 H 2.389 0.005 1 613 58 58 GLU HG3 H 2.389 0.005 1 614 58 58 GLU C C 178.557 0.005 1 615 58 58 GLU CA C 59.249 0.005 1 616 58 58 GLU CB C 29.920 0.005 1 617 58 58 GLU CG C 35.663 0.005 1 618 58 58 GLU N N 117.954 0.02 1 619 59 59 THR H H 8.040 0.005 1 620 59 59 THR HA H 3.899 0.005 1 621 59 59 THR HB H 4.468 0.005 1 622 59 59 THR HG2 H 1.097 0.005 1 623 59 59 THR C C 177.184 0.005 1 624 59 59 THR CA C 67.395 0.005 1 625 59 59 THR CB C 68.794 0.005 1 626 59 59 THR CG2 C 22.741 0.005 1 627 59 59 THR N N 117.976 0.02 1 628 60 60 LEU H H 8.779 0.005 1 629 60 60 LEU HA H 3.807 0.005 1 630 60 60 LEU HB2 H 1.477 0.005 2 631 60 60 LEU HB3 H 1.884 0.005 2 632 60 60 LEU HG H 1.951 0.005 1 633 60 60 LEU HD1 H 0.757 0.005 2 634 60 60 LEU HD2 H 1.481 0.005 2 635 60 60 LEU C C 178.159 0.005 1 636 60 60 LEU CA C 57.946 0.005 1 637 60 60 LEU CB C 41.286 0.005 1 638 60 60 LEU CG C 26.618 0.005 1 639 60 60 LEU CD1 C 22.774 0.005 2 640 60 60 LEU CD2 C 25.410 0.005 2 641 60 60 LEU N N 122.138 0.02 1 642 61 61 LYS H H 7.761 0.005 1 643 61 61 LYS HA H 3.834 0.005 1 644 61 61 LYS HB2 H 1.982 0.005 1 645 61 61 LYS HB3 H 1.982 0.005 1 646 61 61 LYS HG2 H 1.388 0.005 1 647 61 61 LYS HG3 H 1.388 0.005 1 648 61 61 LYS HD2 H 1.585 0.005 2 649 61 61 LYS HD3 H 1.719 0.005 2 650 61 61 LYS HE2 H 2.984 0.005 1 651 61 61 LYS HE3 H 2.984 0.005 1 652 61 61 LYS C C 180.763 0.005 1 653 61 61 LYS CA C 60.162 0.005 1 654 61 61 LYS CB C 32.191 0.005 1 655 61 61 LYS CG C 24.970 0.005 1 656 61 61 LYS CD C 29.583 0.005 1 657 61 61 LYS CE C 41.943 0.005 1 658 61 61 LYS N N 118.819 0.02 1 659 62 62 GLU H H 8.443 0.005 1 660 62 62 GLU HA H 4.078 0.005 1 661 62 62 GLU HB2 H 2.235 0.005 1 662 62 62 GLU HB3 H 2.235 0.005 1 663 62 62 GLU HG2 H 2.486 0.005 2 664 62 62 GLU HG3 H 2.375 0.005 2 665 62 62 GLU C C 178.007 0.005 1 666 62 62 GLU CA C 59.527 0.005 1 667 62 62 GLU CB C 29.462 0.005 1 668 62 62 GLU CG C 36.320 0.005 1 669 62 62 GLU N N 121.938 0.02 1 670 63 63 GLN H H 7.656 0.005 1 671 63 63 GLN HA H 4.801 0.005 1 672 63 63 GLN HB2 H 2.210 0.005 1 673 63 63 GLN HB3 H 2.210 0.005 1 674 63 63 GLN HG2 H 3.128 0.005 2 675 63 63 GLN HG3 H 2.338 0.005 2 676 63 63 GLN HE21 H 6.862 0.005 1 677 63 63 GLN HE22 H 7.636 0.005 1 678 63 63 GLN C C 176.010 0.005 1 679 63 63 GLN CA C 54.301 0.005 1 680 63 63 GLN CB C 26.925 0.005 1 681 63 63 GLN CG C 31.947 0.005 1 682 63 63 GLN CD C 178.916 0.005 1 683 63 63 GLN N N 112.644 0.02 1 684 63 63 GLN NE2 N 110.301 0.02 1 685 64 64 GLY H H 7.947 0.005 1 686 64 64 GLY HA2 H 4.207 0.005 2 687 64 64 GLY HA3 H 3.963 0.005 2 688 64 64 GLY C C 174.957 0.005 1 689 64 64 GLY CA C 45.987 0.005 1 690 64 64 GLY N N 109.209 0.02 1 691 65 65 THR H H 8.451 0.005 1 692 65 65 THR HA H 5.252 0.005 1 693 65 65 THR HB H 4.339 0.005 1 694 65 65 THR HG2 H 1.121 0.005 1 695 65 65 THR CA C 57.561 0.005 1 696 65 65 THR CB C 69.961 0.005 1 697 65 65 THR CG2 C 19.404 0.005 1 698 65 65 THR N N 107.879 0.02 1 699 66 66 PRO HA H 4.384 0.005 1 700 66 66 PRO HB2 H 2.163 0.005 2 701 66 66 PRO HB3 H 2.032 0.005 2 702 66 66 PRO HG2 H 2.100 0.005 2 703 66 66 PRO HG3 H 1.938 0.005 2 704 66 66 PRO HD2 H 3.414 0.005 1 705 66 66 PRO HD3 H 3.414 0.005 1 706 66 66 PRO C C 176.601 0.005 1 707 66 66 PRO CA C 64.335 0.005 1 708 66 66 PRO CB C 32.059 0.005 1 709 66 66 PRO CG C 26.850 0.005 1 710 66 66 PRO CD C 50.515 0.005 1 711 67 67 GLU H H 10.043 0.005 1 712 67 67 GLU HA H 4.271 0.005 1 713 67 67 GLU HB2 H 2.076 0.005 1 714 67 67 GLU HB3 H 2.076 0.005 1 715 67 67 GLU HG2 H 2.392 0.005 2 716 67 67 GLU HG3 H 2.222 0.005 2 717 67 67 GLU C C 177.478 0.005 1 718 67 67 GLU CA C 57.216 0.005 1 719 67 67 GLU CB C 28.291 0.005 1 720 67 67 GLU CG C 35.712 0.005 1 721 67 67 GLU N N 121.496 0.02 1 722 68 68 ILE H H 7.110 0.005 1 723 68 68 ILE HA H 3.662 0.005 1 724 68 68 ILE HB H 1.859 0.005 1 725 68 68 ILE HG12 H 1.369 0.005 1 726 68 68 ILE HG13 H 1.369 0.005 1 727 68 68 ILE HG2 H 0.708 0.005 1 728 68 68 ILE HD1 H 0.794 0.005 1 729 68 68 ILE C C 174.287 0.005 1 730 68 68 ILE CA C 64.323 0.005 1 731 68 68 ILE CB C 37.528 0.005 1 732 68 68 ILE CG1 C 27.787 0.005 1 733 68 68 ILE CG2 C 16.005 0.005 1 734 68 68 ILE CD1 C 12.906 0.005 1 735 68 68 ILE N N 124.440 0.02 1 736 69 69 ARG H H 7.843 0.005 1 737 69 69 ARG HA H 4.333 0.005 1 738 69 69 ARG HB2 H 1.723 0.005 2 739 69 69 ARG HB3 H 1.637 0.005 2 740 69 69 ARG HG2 H 1.858 0.005 1 741 69 69 ARG HG3 H 1.858 0.005 1 742 69 69 ARG HD2 H 3.185 0.005 2 743 69 69 ARG HD3 H 3.127 0.005 2 744 69 69 ARG C C 175.094 0.005 1 745 69 69 ARG CA C 55.156 0.005 1 746 69 69 ARG CB C 31.658 0.005 1 747 69 69 ARG CG C 26.924 0.005 1 748 69 69 ARG CD C 43.481 0.005 1 749 69 69 ARG N N 127.806 0.02 1 750 70 70 ILE H H 9.899 0.005 1 751 70 70 ILE HA H 4.375 0.005 1 752 70 70 ILE HB H 1.661 0.005 1 753 70 70 ILE HG2 H 0.747 0.005 1 754 70 70 ILE HD1 H 0.764 0.005 1 755 70 70 ILE C C 174.622 0.005 1 756 70 70 ILE CA C 61.667 0.005 1 757 70 70 ILE CB C 38.861 0.005 1 758 70 70 ILE CG1 C 27.078 0.005 1 759 70 70 ILE CG2 C 18.988 0.005 1 760 70 70 ILE CD1 C 14.184 0.005 1 761 70 70 ILE N N 118.532 0.02 1 762 71 71 ALA H H 9.308 0.005 1 763 71 71 ALA HA H 5.461 0.005 1 764 71 71 ALA HB H 0.981 0.005 1 765 71 71 ALA C C 174.664 0.005 1 766 71 71 ALA CA C 48.722 0.005 1 767 71 71 ALA CB C 19.902 0.005 1 768 71 71 ALA N N 131.762 0.02 1 769 72 72 THR H H 7.500 0.005 1 770 72 72 THR HA H 5.187 0.005 1 771 72 72 THR HB H 3.833 0.005 1 772 72 72 THR HG2 H 1.091 0.005 1 773 72 72 THR C C 171.880 0.005 1 774 72 72 THR CA C 58.558 0.005 1 775 72 72 THR CB C 70.053 0.005 1 776 72 72 THR CG2 C 19.531 0.005 1 777 72 72 THR N N 113.250 0.02 1 778 73 73 VAL H H 7.399 0.005 1 779 73 73 VAL HA H 5.879 0.005 1 780 73 73 VAL HB H 1.357 0.005 1 781 73 73 VAL HG1 H 0.124 0.005 2 782 73 73 VAL HG2 H -0.202 0.005 2 783 73 73 VAL C C 175.613 0.005 1 784 73 73 VAL CA C 56.894 0.005 1 785 73 73 VAL CB C 35.438 0.005 1 786 73 73 VAL CG1 C 21.263 0.005 2 787 73 73 VAL CG2 C 18.026 0.005 2 788 73 73 VAL N N 111.280 0.02 1 789 74 74 THR H H 8.199 0.005 1 790 74 74 THR HA H 4.709 0.005 1 791 74 74 THR HB H 4.465 0.005 1 792 74 74 THR HG2 H 1.050 0.005 1 793 74 74 THR C C 174.274 0.005 1 794 74 74 THR CA C 59.529 0.005 1 795 74 74 THR CB C 73.285 0.005 1 796 74 74 THR CG2 C 24.367 0.005 1 797 74 74 THR N N 108.521 0.02 1 798 75 75 ASN H H 9.702 0.005 1 799 75 75 ASN HA H 4.549 0.005 1 800 75 75 ASN HB2 H 2.003 0.005 2 801 75 75 ASN HB3 H 3.595 0.005 2 802 75 75 ASN HD21 H 8.368 0.005 1 803 75 75 ASN HD22 H 8.033 0.005 1 804 75 75 ASN C C 174.522 0.005 1 805 75 75 ASN CA C 53.774 0.005 1 806 75 75 ASN CB C 42.172 0.005 1 807 75 75 ASN CG C 176.514 0.005 1 808 75 75 ASN N N 123.504 0.02 1 809 75 75 ASN ND2 N 110.419 0.02 1 810 76 76 PHE H H 8.588 0.005 1 811 76 76 PHE HA H 4.631 0.005 1 812 76 76 PHE HB2 H 2.822 0.005 1 813 76 76 PHE HB3 H 2.822 0.005 1 814 76 76 PHE HD1 H 6.995 0.005 1 815 76 76 PHE HD2 H 6.995 0.005 1 816 76 76 PHE HE1 H 6.750 0.005 1 817 76 76 PHE HE2 H 6.750 0.005 1 818 76 76 PHE CA C 54.754 0.005 1 819 76 76 PHE CB C 44.369 0.005 1 820 76 76 PHE CD1 C 131.824 0.005 1 821 76 76 PHE CD2 C 131.824 0.005 1 822 76 76 PHE CE1 C 131.202 0.005 1 823 76 76 PHE CE2 C 131.202 0.005 1 824 76 76 PHE N N 116.041 0.02 1 825 77 77 PRO HA H 3.454 0.005 1 826 77 77 PRO HB2 H 1.736 0.005 2 827 77 77 PRO HB3 H 0.727 0.005 2 828 77 77 PRO HG2 H 1.452 0.005 2 829 77 77 PRO HG3 H 1.497 0.005 2 830 77 77 PRO C C 174.843 0.005 1 831 77 77 PRO CA C 64.599 0.005 1 832 77 77 PRO CB C 32.793 0.005 1 833 77 77 PRO CG C 23.424 0.005 1 834 77 77 PRO CD C 49.089 0.005 1 835 78 78 HIS H H 6.673 0.005 1 836 78 78 HIS HA H 4.176 0.005 1 837 78 78 HIS HB2 H 2.877 0.005 2 838 78 78 HIS HB3 H 3.062 0.005 2 839 78 78 HIS HD2 H 7.049 0.005 1 840 78 78 HIS HE1 H 7.893 0.005 1 841 78 78 HIS C C 177.127 0.005 1 842 78 78 HIS CA C 56.442 0.005 1 843 78 78 HIS CB C 30.432 0.005 1 844 78 78 HIS CD2 C 118.764 0.005 1 845 78 78 HIS CE1 C 140.134 0.005 1 846 78 78 HIS N N 120.458 0.02 1 847 79 79 GLY H H 7.849 0.005 1 848 79 79 GLY HA2 H 3.776 0.005 1 849 79 79 GLY HA3 H 3.776 0.005 1 850 79 79 GLY C C 175.565 0.005 1 851 79 79 GLY CA C 48.801 0.005 1 852 79 79 GLY N N 108.425 0.02 1 853 80 80 ASN H H 10.394 0.005 1 854 80 80 ASN HA H 4.412 0.005 1 855 80 80 ASN HB2 H 2.860 0.005 2 856 80 80 ASN HB3 H 3.021 0.005 2 857 80 80 ASN HD21 H 7.115 0.005 1 858 80 80 ASN HD22 H 6.267 0.005 1 859 80 80 ASN C C 173.945 0.005 1 860 80 80 ASN CA C 53.514 0.005 1 861 80 80 ASN CB C 38.369 0.005 1 862 80 80 ASN CG C 176.356 0.005 1 863 80 80 ASN N N 122.666 0.02 1 864 80 80 ASN ND2 N 107.766 0.02 1 865 81 81 ASP H H 7.812 0.005 1 866 81 81 ASP HA H 4.185 0.005 1 867 81 81 ASP HB2 H 3.022 0.005 2 868 81 81 ASP HB3 H 2.484 0.005 2 869 81 81 ASP C C 174.076 0.005 1 870 81 81 ASP CA C 52.509 0.005 1 871 81 81 ASP CB C 40.168 0.005 1 872 81 81 ASP N N 114.610 0.02 1 873 82 82 ASP H H 6.927 0.005 1 874 82 82 ASP HA H 4.736 0.005 1 875 82 82 ASP HB2 H 2.892 0.005 2 876 82 82 ASP HB3 H 2.445 0.005 2 877 82 82 ASP C C 177.364 0.005 1 878 82 82 ASP CA C 53.330 0.005 1 879 82 82 ASP CB C 41.389 0.005 1 880 82 82 ASP N N 116.942 0.02 1 881 83 83 ILE H H 8.726 0.005 1 882 83 83 ILE HA H 3.313 0.005 1 883 83 83 ILE HB H 1.759 0.005 1 884 83 83 ILE HG12 H 0.627 0.005 1 885 83 83 ILE HG13 H 0.627 0.005 1 886 83 83 ILE HG2 H 0.895 0.005 1 887 83 83 ILE HD1 H 1.018 0.005 1 888 83 83 ILE C C 176.224 0.005 1 889 83 83 ILE CA C 66.119 0.005 1 890 83 83 ILE CB C 38.323 0.005 1 891 83 83 ILE CG1 C 29.677 0.005 1 892 83 83 ILE CG2 C 17.271 0.005 1 893 83 83 ILE CD1 C 14.865 0.005 1 894 83 83 ILE N N 129.693 0.02 1 895 84 84 ASP H H 7.897 0.005 1 896 84 84 ASP HA H 4.333 0.005 1 897 84 84 ASP HB2 H 2.871 0.005 2 898 84 84 ASP HB3 H 2.628 0.005 2 899 84 84 ASP C C 180.155 0.005 1 900 84 84 ASP CA C 58.037 0.005 1 901 84 84 ASP CB C 40.048 0.005 1 902 84 84 ASP N N 118.615 0.02 1 903 85 85 ILE H H 7.996 0.005 1 904 85 85 ILE HA H 3.891 0.005 1 905 85 85 ILE HB H 1.812 0.005 1 906 85 85 ILE HG12 H 1.587 0.005 2 907 85 85 ILE HG13 H 1.227 0.005 2 908 85 85 ILE HG2 H 1.015 0.005 1 909 85 85 ILE HD1 H 0.836 0.005 1 910 85 85 ILE C C 177.774 0.005 1 911 85 85 ILE CA C 64.112 0.005 1 912 85 85 ILE CB C 37.372 0.005 1 913 85 85 ILE CG1 C 28.683 0.005 1 914 85 85 ILE CG2 C 17.032 0.005 1 915 85 85 ILE CD1 C 11.816 0.005 1 916 85 85 ILE N N 121.927 0.02 1 917 86 86 ALA H H 7.635 0.005 1 918 86 86 ALA HA H 3.923 0.005 1 919 86 86 ALA HB H 1.229 0.005 1 920 86 86 ALA C C 180.807 0.005 1 921 86 86 ALA CA C 55.905 0.005 1 922 86 86 ALA CB C 17.534 0.005 1 923 86 86 ALA N N 122.469 0.02 1 924 87 87 LEU H H 9.206 0.005 1 925 87 87 LEU HA H 4.211 0.005 1 926 87 87 LEU HB2 H 2.026 0.005 2 927 87 87 LEU HB3 H 1.473 0.005 2 928 87 87 LEU HG H 1.387 0.005 1 929 87 87 LEU HD1 H 0.916 0.005 2 930 87 87 LEU HD2 H 1.565 0.005 2 931 87 87 LEU C C 178.342 0.005 1 932 87 87 LEU CA C 57.820 0.005 1 933 87 87 LEU CB C 42.288 0.005 1 934 87 87 LEU CG C 26.986 0.005 1 935 87 87 LEU CD1 C 23.767 0.005 2 936 87 87 LEU CD2 C 26.021 0.005 2 937 87 87 LEU N N 120.981 0.02 1 938 88 88 ALA H H 8.358 0.005 1 939 88 88 ALA HA H 4.129 0.005 1 940 88 88 ALA HB H 1.613 0.005 1 941 88 88 ALA C C 182.256 0.005 1 942 88 88 ALA CA C 55.865 0.005 1 943 88 88 ALA CB C 17.896 0.005 1 944 88 88 ALA N N 123.792 0.02 1 945 89 89 GLU H H 8.914 0.005 1 946 89 89 GLU HA H 4.169 0.005 1 947 89 89 GLU HB2 H 2.302 0.005 1 948 89 89 GLU HB3 H 2.302 0.005 1 949 89 89 GLU HG2 H 2.962 0.005 1 950 89 89 GLU HG3 H 2.962 0.005 1 951 89 89 GLU C C 180.283 0.005 1 952 89 89 GLU CA C 60.017 0.005 1 953 89 89 GLU CB C 30.580 0.005 1 954 89 89 GLU CG C 36.955 0.005 1 955 89 89 GLU N N 118.992 0.02 1 956 90 90 THR H H 8.227 0.005 1 957 90 90 THR HA H 3.953 0.005 1 958 90 90 THR HB H 4.502 0.005 1 959 90 90 THR HG2 H 1.163 0.005 1 960 90 90 THR C C 175.478 0.005 1 961 90 90 THR CA C 68.763 0.005 1 962 90 90 THR CB C 71.221 0.005 1 963 90 90 THR CG2 C 21.651 0.005 1 964 90 90 THR N N 120.389 0.02 1 965 91 91 ARG H H 9.250 0.005 1 966 91 91 ARG HA H 3.935 0.005 1 967 91 91 ARG HB2 H 1.849 0.005 2 968 91 91 ARG HB3 H 2.322 0.005 2 969 91 91 ARG HG2 H 1.610 0.005 1 970 91 91 ARG HG3 H 1.610 0.005 1 971 91 91 ARG HD2 H 3.150 0.005 1 972 91 91 ARG HD3 H 3.150 0.005 1 973 91 91 ARG C C 179.677 0.005 1 974 91 91 ARG CA C 60.899 0.005 1 975 91 91 ARG CB C 29.972 0.005 1 976 91 91 ARG CG C 28.716 0.005 1 977 91 91 ARG CD C 43.648 0.005 1 978 91 91 ARG N N 121.160 0.02 1 979 92 92 ALA H H 8.287 0.005 1 980 92 92 ALA HA H 4.098 0.005 1 981 92 92 ALA HB H 1.447 0.005 1 982 92 92 ALA C C 179.111 0.005 1 983 92 92 ALA CA C 54.953 0.005 1 984 92 92 ALA CB C 17.447 0.005 1 985 92 92 ALA N N 123.127 0.02 1 986 93 93 ALA H H 8.301 0.005 1 987 93 93 ALA HA H 4.171 0.005 1 988 93 93 ALA HB H 1.511 0.005 1 989 93 93 ALA C C 179.390 0.005 1 990 93 93 ALA CA C 55.892 0.005 1 991 93 93 ALA CB C 18.434 0.005 1 992 93 93 ALA N N 121.860 0.02 1 993 94 94 ILE H H 8.118 0.005 1 994 94 94 ILE HA H 3.590 0.005 1 995 94 94 ILE HB H 1.929 0.005 1 996 94 94 ILE HG2 H 0.901 0.005 1 997 94 94 ILE HD1 H 0.845 0.005 1 998 94 94 ILE C C 180.264 0.005 1 999 94 94 ILE CA C 65.816 0.005 1 1000 94 94 ILE CB C 38.917 0.005 1 1001 94 94 ILE CG1 C 29.085 0.005 1 1002 94 94 ILE CG2 C 17.070 0.005 1 1003 94 94 ILE CD1 C 14.862 0.005 1 1004 94 94 ILE N N 118.493 0.02 1 1005 95 95 ALA H H 8.130 0.005 1 1006 95 95 ALA HA H 4.149 0.005 1 1007 95 95 ALA HB H 1.408 0.005 1 1008 95 95 ALA C C 180.192 0.005 1 1009 95 95 ALA CA C 55.153 0.005 1 1010 95 95 ALA CB C 17.718 0.005 1 1011 95 95 ALA N N 125.139 0.02 1 1012 96 96 TRP H H 8.451 0.005 1 1013 96 96 TRP HA H 4.583 0.005 1 1014 96 96 TRP HB2 H 3.385 0.005 1 1015 96 96 TRP HB3 H 3.385 0.005 1 1016 96 96 TRP HD1 H 7.070 0.005 1 1017 96 96 TRP HE1 H 10.145 0.005 1 1018 96 96 TRP HE3 H 7.515 0.005 1 1019 96 96 TRP HZ2 H 7.448 0.005 1 1020 96 96 TRP HZ3 H 7.132 0.005 1 1021 96 96 TRP HH2 H 7.217 0.005 1 1022 96 96 TRP C C 176.613 0.005 1 1023 96 96 TRP CA C 59.683 0.005 1 1024 96 96 TRP CB C 31.294 0.005 1 1025 96 96 TRP CD1 C 127.063 0.005 1 1026 96 96 TRP CE3 C 120.878 0.005 1 1027 96 96 TRP CZ2 C 114.175 0.005 1 1028 96 96 TRP CZ3 C 121.525 0.005 1 1029 96 96 TRP CH2 C 124.764 0.005 1 1030 96 96 TRP N N 118.595 0.02 1 1031 96 96 TRP NE1 N 127.435 0.02 1 1032 97 97 GLY H H 7.684 0.005 1 1033 97 97 GLY HA2 H 3.792 0.005 2 1034 97 97 GLY HA3 H 4.509 0.005 2 1035 97 97 GLY C C 173.922 0.005 1 1036 97 97 GLY CA C 44.999 0.005 1 1037 97 97 GLY N N 103.104 0.02 1 1038 98 98 ALA H H 7.720 0.005 1 1039 98 98 ALA HA H 3.715 0.005 1 1040 98 98 ALA HB H 1.206 0.005 1 1041 98 98 ALA C C 176.588 0.005 1 1042 98 98 ALA CA C 54.027 0.005 1 1043 98 98 ALA CB C 19.125 0.005 1 1044 98 98 ALA N N 120.959 0.02 1 1045 99 99 ASP H H 8.975 0.005 1 1046 99 99 ASP HA H 4.903 0.005 1 1047 99 99 ASP HB2 H 2.646 0.005 2 1048 99 99 ASP HB3 H 2.892 0.005 2 1049 99 99 ASP C C 176.633 0.005 1 1050 99 99 ASP CA C 56.547 0.005 1 1051 99 99 ASP CB C 43.257 0.005 1 1052 99 99 ASP N N 116.569 0.02 1 1053 100 100 GLU H H 7.961 0.005 1 1054 100 100 GLU HA H 5.257 0.005 1 1055 100 100 GLU HB2 H 1.618 0.005 1 1056 100 100 GLU HB3 H 1.618 0.005 1 1057 100 100 GLU HG2 H 2.199 0.005 2 1058 100 100 GLU HG3 H 1.989 0.005 2 1059 100 100 GLU C C 173.934 0.005 1 1060 100 100 GLU CA C 53.612 0.005 1 1061 100 100 GLU CB C 33.867 0.005 1 1062 100 100 GLU CG C 35.947 0.005 1 1063 100 100 GLU N N 117.301 0.02 1 1064 101 101 VAL H H 9.014 0.005 1 1065 101 101 VAL HA H 4.075 0.005 1 1066 101 101 VAL HB H 1.855 0.005 1 1067 101 101 VAL HG1 H 0.675 0.005 2 1068 101 101 VAL HG2 H 0.757 0.005 2 1069 101 101 VAL C C 171.785 0.005 1 1070 101 101 VAL CA C 61.326 0.005 1 1071 101 101 VAL CB C 35.141 0.005 1 1072 101 101 VAL CG1 C 21.834 0.005 2 1073 101 101 VAL CG2 C 23.201 0.005 2 1074 101 101 VAL N N 122.702 0.02 1 1075 102 102 ASP H H 9.232 0.005 1 1076 102 102 ASP HA H 5.400 0.005 1 1077 102 102 ASP HB2 H 2.759 0.005 1 1078 102 102 ASP HB3 H 2.759 0.005 1 1079 102 102 ASP C C 174.272 0.005 1 1080 102 102 ASP CA C 51.912 0.005 1 1081 102 102 ASP CB C 38.890 0.005 1 1082 102 102 ASP N N 129.789 0.02 1 1083 103 103 VAL H H 8.999 0.005 1 1084 103 103 VAL HA H 5.070 0.005 1 1085 103 103 VAL HB H 1.714 0.005 1 1086 103 103 VAL HG1 H 0.982 0.005 2 1087 103 103 VAL HG2 H 0.955 0.005 2 1088 103 103 VAL C C 174.607 0.005 1 1089 103 103 VAL CA C 58.570 0.005 1 1090 103 103 VAL CB C 35.295 0.005 1 1091 103 103 VAL CG1 C 22.497 0.005 2 1092 103 103 VAL CG2 C 21.090 0.005 2 1093 103 103 VAL N N 122.632 0.02 1 1094 104 104 VAL H H 7.310 0.005 1 1095 104 104 VAL HA H 4.598 0.005 1 1096 104 104 VAL HB H 2.538 0.005 1 1097 104 104 VAL HG1 H 1.073 0.005 2 1098 104 104 VAL HG2 H 1.321 0.005 2 1099 104 104 VAL C C 174.475 0.005 1 1100 104 104 VAL CA C 63.162 0.005 1 1101 104 104 VAL CB C 30.430 0.005 1 1102 104 104 VAL CG1 C 25.945 0.005 2 1103 104 104 VAL CG2 C 20.907 0.005 2 1104 104 104 VAL N N 124.938 0.02 1 1105 105 105 PHE H H 9.219 0.005 1 1106 105 105 PHE HA H 4.199 0.005 1 1107 105 105 PHE HB2 H 3.363 0.005 1 1108 105 105 PHE HB3 H 3.363 0.005 1 1109 105 105 PHE CA C 56.405 0.005 1 1110 105 105 PHE CB C 43.079 0.005 1 1111 105 105 PHE N N 129.302 0.02 1 1112 106 106 PRO HA H 5.605 0.005 1 1113 106 106 PRO HB2 H 2.164 0.005 2 1114 106 106 PRO HB3 H 1.450 0.005 2 1115 106 106 PRO HG2 H 1.327 0.005 2 1116 106 106 PRO HG3 H 1.508 0.005 2 1117 106 106 PRO HD2 H 4.305 0.005 1 1118 106 106 PRO HD3 H 4.305 0.005 1 1119 106 106 PRO C C 174.996 0.005 1 1120 106 106 PRO CA C 61.018 0.005 1 1121 106 106 PRO CB C 26.997 0.005 1 1122 106 106 PRO CG C 29.000 0.005 1 1123 106 106 PRO CD C 49.557 0.005 1 1124 107 107 TYR H H 9.153 0.005 1 1125 107 107 TYR HA H 4.455 0.005 1 1126 107 107 TYR HB2 H 3.362 0.005 1 1127 107 107 TYR HB3 H 3.362 0.005 1 1128 107 107 TYR HD1 H 7.653 0.005 1 1129 107 107 TYR HD2 H 7.653 0.005 1 1130 107 107 TYR HE1 H 6.907 0.005 1 1131 107 107 TYR HE2 H 6.907 0.005 1 1132 107 107 TYR C C 177.667 0.005 1 1133 107 107 TYR CA C 60.465 0.005 1 1134 107 107 TYR CB C 38.080 0.005 1 1135 107 107 TYR CD1 C 135.049 0.005 1 1136 107 107 TYR CD2 C 135.049 0.005 1 1137 107 107 TYR CE1 C 119.938 0.005 1 1138 107 107 TYR CE2 C 119.938 0.005 1 1139 107 107 TYR N N 129.124 0.02 1 1140 108 108 ARG H H 8.629 0.005 1 1141 108 108 ARG HA H 4.182 0.005 1 1142 108 108 ARG HB2 H 1.543 0.005 1 1143 108 108 ARG HB3 H 1.543 0.005 1 1144 108 108 ARG HG2 H 1.593 0.005 2 1145 108 108 ARG HG3 H 1.916 0.005 2 1146 108 108 ARG HD2 H 3.367 0.005 2 1147 108 108 ARG HD3 H 3.109 0.005 2 1148 108 108 ARG C C 180.361 0.005 1 1149 108 108 ARG CA C 60.082 0.005 1 1150 108 108 ARG CB C 28.946 0.005 1 1151 108 108 ARG CG C 29.325 0.005 1 1152 108 108 ARG CD C 43.022 0.005 1 1153 108 108 ARG N N 125.813 0.02 1 1154 109 109 ALA H H 7.804 0.005 1 1155 109 109 ALA HA H 4.248 0.005 1 1156 109 109 ALA HB H 1.534 0.005 1 1157 109 109 ALA C C 180.278 0.005 1 1158 109 109 ALA CA C 55.078 0.005 1 1159 109 109 ALA CB C 18.107 0.005 1 1160 109 109 ALA N N 124.183 0.02 1 1161 110 110 LEU H H 7.481 0.005 1 1162 110 110 LEU HA H 4.095 0.005 1 1163 110 110 LEU HB2 H 2.388 0.005 1 1164 110 110 LEU HB3 H 2.388 0.005 1 1165 110 110 LEU C C 180.952 0.005 1 1166 110 110 LEU CA C 58.305 0.005 1 1167 110 110 LEU CB C 41.414 0.005 1 1168 110 110 LEU CG C 27.380 0.005 1 1169 110 110 LEU CD1 C 24.662 0.005 1 1170 110 110 LEU CD2 C 24.662 0.005 1 1171 110 110 LEU N N 119.123 0.02 1 1172 111 111 MET H H 8.503 0.005 1 1173 111 111 MET HA H 3.981 0.005 1 1174 111 111 MET HB2 H 2.557 0.005 1 1175 111 111 MET HB3 H 2.557 0.005 1 1176 111 111 MET HG2 H 3.048 0.005 1 1177 111 111 MET HG3 H 3.048 0.005 1 1178 111 111 MET C C 176.775 0.005 1 1179 111 111 MET CA C 59.917 0.005 1 1180 111 111 MET CB C 34.015 0.005 1 1181 111 111 MET CG C 33.480 0.005 1 1182 111 111 MET N N 120.829 0.02 1 1183 112 112 ALA H H 7.542 0.005 1 1184 112 112 ALA HA H 4.513 0.005 1 1185 112 112 ALA HB H 1.592 0.005 1 1186 112 112 ALA C C 177.598 0.005 1 1187 112 112 ALA CA C 52.162 0.005 1 1188 112 112 ALA CB C 18.656 0.005 1 1189 112 112 ALA N N 119.800 0.02 1 1190 113 113 GLY H H 7.977 0.005 1 1191 113 113 GLY HA2 H 4.489 0.005 1 1192 113 113 GLY HA3 H 4.489 0.005 1 1193 113 113 GLY C C 173.686 0.005 1 1194 113 113 GLY CA C 45.190 0.005 1 1195 113 113 GLY N N 106.817 0.02 1 1196 114 114 ASN H H 8.489 0.005 1 1197 114 114 ASN HA H 4.991 0.005 1 1198 114 114 ASN HB2 H 3.077 0.005 2 1199 114 114 ASN HB3 H 2.650 0.005 2 1200 114 114 ASN HD21 H 7.652 0.005 1 1201 114 114 ASN HD22 H 6.998 0.005 1 1202 114 114 ASN C C 174.625 0.005 1 1203 114 114 ASN CA C 51.623 0.005 1 1204 114 114 ASN CB C 37.808 0.005 1 1205 114 114 ASN CG C 177.434 0.005 1 1206 114 114 ASN N N 120.694 0.02 1 1207 114 114 ASN ND2 N 110.873 0.02 1 1208 115 115 GLU H H 8.450 0.005 1 1209 115 115 GLU HA H 4.193 0.005 1 1210 115 115 GLU HB2 H 2.135 0.005 2 1211 115 115 GLU HB3 H 1.984 0.005 2 1212 115 115 GLU HG2 H 2.357 0.005 1 1213 115 115 GLU HG3 H 2.357 0.005 1 1214 115 115 GLU C C 177.684 0.005 1 1215 115 115 GLU CA C 57.454 0.005 1 1216 115 115 GLU CB C 30.632 0.005 1 1217 115 115 GLU CG C 36.407 0.005 1 1218 115 115 GLU N N 122.481 0.02 1 1219 116 116 GLN H H 8.344 0.005 1 1220 116 116 GLN HA H 3.992 0.005 1 1221 116 116 GLN HB2 H 2.259 0.005 2 1222 116 116 GLN HB3 H 2.154 0.005 2 1223 116 116 GLN HG2 H 2.535 0.005 2 1224 116 116 GLN HG3 H 2.452 0.005 2 1225 116 116 GLN HE21 H 8.306 0.005 1 1226 116 116 GLN HE22 H 6.691 0.005 1 1227 116 116 GLN C C 178.144 0.005 1 1228 116 116 GLN CA C 58.224 0.005 1 1229 116 116 GLN CB C 28.899 0.005 1 1230 116 116 GLN CG C 33.257 0.005 1 1231 116 116 GLN CD C 180.604 0.005 1 1232 116 116 GLN N N 121.722 0.02 1 1233 116 116 GLN NE2 N 116.009 0.02 1 1234 117 117 VAL H H 7.746 0.005 1 1235 117 117 VAL HA H 4.186 0.005 1 1236 117 117 VAL HB H 2.136 0.005 1 1237 117 117 VAL HG1 H 1.095 0.005 2 1238 117 117 VAL HG2 H 0.833 0.005 2 1239 117 117 VAL C C 176.074 0.005 1 1240 117 117 VAL CA C 64.910 0.005 1 1241 117 117 VAL CB C 30.909 0.005 1 1242 117 117 VAL CG1 C 22.809 0.005 2 1243 117 117 VAL CG2 C 20.349 0.005 2 1244 117 117 VAL N N 118.267 0.02 1 1245 118 118 GLY H H 7.318 0.005 1 1246 118 118 GLY HA2 H 3.358 0.005 2 1247 118 118 GLY HA3 H 2.976 0.005 2 1248 118 118 GLY C C 174.211 0.005 1 1249 118 118 GLY CA C 48.446 0.005 1 1250 118 118 GLY N N 108.987 0.02 1 1251 119 119 PHE H H 7.049 0.005 1 1252 119 119 PHE HA H 3.881 0.005 1 1253 119 119 PHE HB2 H 3.446 0.005 2 1254 119 119 PHE HB3 H 3.191 0.005 2 1255 119 119 PHE HD1 H 7.469 0.005 1 1256 119 119 PHE HD2 H 7.469 0.005 1 1257 119 119 PHE HE1 H 7.253 0.005 1 1258 119 119 PHE HE2 H 7.253 0.005 1 1259 119 119 PHE C C 176.208 0.005 1 1260 119 119 PHE CA C 61.456 0.005 1 1261 119 119 PHE CB C 39.098 0.005 1 1262 119 119 PHE CD1 C 132.586 0.005 1 1263 119 119 PHE CD2 C 132.586 0.005 1 1264 119 119 PHE CE1 C 131.069 0.005 1 1265 119 119 PHE CE2 C 131.069 0.005 1 1266 119 119 PHE N N 121.415 0.02 1 1267 120 120 ASP H H 8.710 0.005 1 1268 120 120 ASP HA H 4.315 0.005 1 1269 120 120 ASP HB2 H 2.761 0.005 2 1270 120 120 ASP HB3 H 2.641 0.005 2 1271 120 120 ASP C C 179.361 0.005 1 1272 120 120 ASP CA C 57.555 0.005 1 1273 120 120 ASP CB C 40.804 0.005 1 1274 120 120 ASP N N 118.327 0.02 1 1275 121 121 LEU H H 8.909 0.005 1 1276 121 121 LEU HA H 3.945 0.005 1 1277 121 121 LEU HB2 H 1.456 0.005 2 1278 121 121 LEU HB3 H 1.838 0.005 2 1279 121 121 LEU C C 178.597 0.005 1 1280 121 121 LEU CA C 60.830 0.005 1 1281 121 121 LEU CB C 43.345 0.005 1 1282 121 121 LEU CG C 27.278 0.005 1 1283 121 121 LEU CD1 C 24.479 0.005 1 1284 121 121 LEU CD2 C 24.479 0.005 1 1285 121 121 LEU N N 123.057 0.02 1 1286 122 122 VAL H H 7.871 0.005 1 1287 122 122 VAL HA H 3.198 0.005 1 1288 122 122 VAL HB H 2.118 0.005 1 1289 122 122 VAL HG1 H 1.272 0.005 2 1290 122 122 VAL HG2 H 0.866 0.005 2 1291 122 122 VAL C C 176.783 0.005 1 1292 122 122 VAL CA C 68.083 0.005 1 1293 122 122 VAL CB C 30.891 0.005 1 1294 122 122 VAL CG1 C 24.483 0.005 2 1295 122 122 VAL CG2 C 22.689 0.005 2 1296 122 122 VAL N N 119.773 0.02 1 1297 123 123 LYS H H 8.672 0.005 1 1298 123 123 LYS HA H 4.094 0.005 1 1299 123 123 LYS HB2 H 1.443 0.005 2 1300 123 123 LYS HB3 H 1.729 0.005 2 1301 123 123 LYS HG2 H 1.373 0.005 1 1302 123 123 LYS HG3 H 1.373 0.005 1 1303 123 123 LYS HE2 H 3.067 0.005 1 1304 123 123 LYS HE3 H 3.067 0.005 1 1305 123 123 LYS C C 178.701 0.005 1 1306 123 123 LYS CA C 59.742 0.005 1 1307 123 123 LYS CB C 32.617 0.005 1 1308 123 123 LYS CG C 24.626 0.005 1 1309 123 123 LYS CD C 30.099 0.005 1 1310 123 123 LYS CE C 42.329 0.005 1 1311 123 123 LYS N N 120.485 0.02 1 1312 124 124 ALA H H 7.975 0.005 1 1313 124 124 ALA HA H 4.209 0.005 1 1314 124 124 ALA HB H 1.570 0.005 1 1315 124 124 ALA C C 181.397 0.005 1 1316 124 124 ALA CA C 55.124 0.005 1 1317 124 124 ALA CB C 17.904 0.005 1 1318 124 124 ALA N N 119.938 0.02 1 1319 125 125 CYS H H 7.866 0.005 1 1320 125 125 CYS HA H 4.098 0.005 1 1321 125 125 CYS HB2 H 3.095 0.005 2 1322 125 125 CYS HB3 H 2.580 0.005 2 1323 125 125 CYS C C 176.778 0.005 1 1324 125 125 CYS CA C 64.756 0.005 1 1325 125 125 CYS CB C 26.841 0.005 1 1326 125 125 CYS N N 115.850 0.02 1 1327 126 126 LYS H H 9.549 0.005 1 1328 126 126 LYS HA H 3.994 0.005 1 1329 126 126 LYS HB2 H 2.262 0.005 1 1330 126 126 LYS HB3 H 2.262 0.005 1 1331 126 126 LYS HG2 H 1.325 0.005 2 1332 126 126 LYS HG3 H 1.624 0.005 2 1333 126 126 LYS HE2 H 2.749 0.005 1 1334 126 126 LYS HE3 H 2.749 0.005 1 1335 126 126 LYS C C 177.357 0.005 1 1336 126 126 LYS CA C 58.403 0.005 1 1337 126 126 LYS CB C 30.327 0.005 1 1338 126 126 LYS CG C 26.148 0.005 1 1339 126 126 LYS CD C 26.593 0.005 1 1340 126 126 LYS CE C 38.939 0.005 1 1341 126 126 LYS N N 123.533 0.02 1 1342 127 127 GLU H H 8.537 0.005 1 1343 127 127 GLU HA H 4.024 0.005 1 1344 127 127 GLU HB2 H 2.218 0.005 2 1345 127 127 GLU HB3 H 2.074 0.005 2 1346 127 127 GLU HG2 H 2.279 0.005 2 1347 127 127 GLU HG3 H 2.574 0.005 2 1348 127 127 GLU C C 179.986 0.005 1 1349 127 127 GLU CA C 59.915 0.005 1 1350 127 127 GLU CB C 29.315 0.005 1 1351 127 127 GLU CG C 36.829 0.005 1 1352 127 127 GLU N N 119.672 0.02 1 1353 128 128 ALA H H 7.198 0.005 1 1354 128 128 ALA HA H 4.197 0.005 1 1355 128 128 ALA HB H 1.436 0.005 1 1356 128 128 ALA C C 179.959 0.005 1 1357 128 128 ALA CA C 54.920 0.005 1 1358 128 128 ALA CB C 17.849 0.005 1 1359 128 128 ALA N N 120.212 0.02 1 1360 129 129 CYS H H 8.165 0.005 1 1361 129 129 CYS HA H 4.000 0.005 1 1362 129 129 CYS HB2 H 3.401 0.005 2 1363 129 129 CYS HB3 H 2.909 0.005 2 1364 129 129 CYS C C 177.752 0.005 1 1365 129 129 CYS CA C 64.748 0.005 1 1366 129 129 CYS CB C 25.723 0.005 1 1367 129 129 CYS N N 117.036 0.02 1 1368 130 130 ALA H H 9.763 0.005 1 1369 130 130 ALA HA H 4.150 0.005 1 1370 130 130 ALA HB H 1.490 0.005 1 1371 130 130 ALA C C 181.430 0.005 1 1372 130 130 ALA CA C 55.360 0.005 1 1373 130 130 ALA CB C 18.021 0.005 1 1374 130 130 ALA N N 123.947 0.02 1 1375 131 131 ALA H H 7.200 0.005 1 1376 131 131 ALA HA H 4.208 0.005 1 1377 131 131 ALA HB H 1.539 0.005 1 1378 131 131 ALA C C 177.506 0.005 1 1379 131 131 ALA CA C 54.237 0.005 1 1380 131 131 ALA CB C 18.182 0.005 1 1381 131 131 ALA N N 118.737 0.02 1 1382 132 132 ALA H H 7.314 0.005 1 1383 132 132 ALA HA H 4.609 0.005 1 1384 132 132 ALA HB H 1.495 0.005 1 1385 132 132 ALA C C 175.970 0.005 1 1386 132 132 ALA CA C 50.857 0.005 1 1387 132 132 ALA CB C 21.088 0.005 1 1388 132 132 ALA N N 119.162 0.02 1 1389 133 133 ASN H H 7.857 0.005 1 1390 133 133 ASN HA H 4.336 0.005 1 1391 133 133 ASN HB2 H 3.184 0.005 2 1392 133 133 ASN HB3 H 2.890 0.005 2 1393 133 133 ASN HD21 H 7.605 0.005 1 1394 133 133 ASN HD22 H 6.827 0.005 1 1395 133 133 ASN C C 173.449 0.005 1 1396 133 133 ASN CA C 54.868 0.005 1 1397 133 133 ASN CB C 37.199 0.005 1 1398 133 133 ASN CG C 178.818 0.005 1 1399 133 133 ASN N N 115.480 0.02 1 1400 133 133 ASN ND2 N 112.768 0.02 1 1401 134 134 VAL H H 8.125 0.005 1 1402 134 134 VAL HA H 4.253 0.005 1 1403 134 134 VAL HB H 1.810 0.005 1 1404 134 134 VAL HG1 H 1.019 0.005 2 1405 134 134 VAL HG2 H 0.769 0.005 2 1406 134 134 VAL C C 175.909 0.005 1 1407 134 134 VAL CA C 61.115 0.005 1 1408 134 134 VAL CB C 34.704 0.005 1 1409 134 134 VAL CG1 C 22.548 0.005 2 1410 134 134 VAL CG2 C 20.988 0.005 2 1411 134 134 VAL N N 121.358 0.02 1 1412 135 135 LEU H H 7.321 0.005 1 1413 135 135 LEU HA H 4.473 0.005 1 1414 135 135 LEU HB2 H 1.673 0.005 2 1415 135 135 LEU HB3 H 1.343 0.005 2 1416 135 135 LEU HG H 1.805 0.005 1 1417 135 135 LEU HD1 H 0.734 0.005 2 1418 135 135 LEU HD2 H 0.948 0.005 2 1419 135 135 LEU C C 174.477 0.005 1 1420 135 135 LEU CA C 55.090 0.005 1 1421 135 135 LEU CB C 44.628 0.005 1 1422 135 135 LEU CG C 25.483 0.005 1 1423 135 135 LEU CD1 C 23.758 0.005 2 1424 135 135 LEU CD2 C 26.831 0.005 2 1425 135 135 LEU N N 126.971 0.02 1 1426 136 136 LEU H H 10.105 0.005 1 1427 136 136 LEU HA H 5.590 0.005 1 1428 136 136 LEU HB2 H 1.379 0.005 2 1429 136 136 LEU HB3 H 1.946 0.005 2 1430 136 136 LEU HG H 1.387 0.005 1 1431 136 136 LEU HD1 H 0.724 0.005 2 1432 136 136 LEU HD2 H 0.992 0.005 2 1433 136 136 LEU C C 176.734 0.005 1 1434 136 136 LEU CA C 53.300 0.005 1 1435 136 136 LEU CB C 45.768 0.005 1 1436 136 136 LEU CG C 28.093 0.005 1 1437 136 136 LEU CD1 C 23.731 0.005 1 1438 136 136 LEU CD2 C 23.731 0.005 1 1439 136 136 LEU N N 125.456 0.02 1 1440 137 137 LYS H H 10.351 0.005 1 1441 137 137 LYS HA H 5.235 0.005 1 1442 137 137 LYS HE2 H 2.608 0.005 1 1443 137 137 LYS HE3 H 2.608 0.005 1 1444 137 137 LYS C C 175.486 0.005 1 1445 137 137 LYS CA C 52.924 0.005 1 1446 137 137 LYS CB C 33.507 0.005 1 1447 137 137 LYS CE C 41.183 0.005 1 1448 137 137 LYS N N 126.787 0.02 1 1449 138 138 VAL H H 8.146 0.005 1 1450 138 138 VAL HA H 4.973 0.005 1 1451 138 138 VAL HB H 2.030 0.005 1 1452 138 138 VAL HG1 H 1.197 0.005 1 1453 138 138 VAL C C 174.916 0.005 1 1454 138 138 VAL CA C 61.278 0.005 1 1455 138 138 VAL CB C 34.351 0.005 1 1456 138 138 VAL CG1 C 23.304 0.005 1 1457 138 138 VAL N N 120.419 0.02 1 1458 139 139 ILE H H 9.704 0.005 1 1459 139 139 ILE HA H 4.321 0.005 1 1460 139 139 ILE HB H 2.100 0.005 1 1461 139 139 ILE HG2 H 0.764 0.005 1 1462 139 139 ILE HD1 H 0.833 0.005 1 1463 139 139 ILE C C 176.178 0.005 1 1464 139 139 ILE CA C 60.240 0.005 1 1465 139 139 ILE CB C 39.302 0.005 1 1466 139 139 ILE CG2 C 18.071 0.005 1 1467 139 139 ILE CD1 C 14.915 0.005 1 1468 139 139 ILE N N 128.415 0.02 1 1469 140 140 ILE H H 7.885 0.005 1 1470 140 140 ILE HA H 4.457 0.005 1 1471 140 140 ILE HB H 1.797 0.005 1 1472 140 140 ILE HG12 H 1.126 0.005 2 1473 140 140 ILE HG13 H 0.897 0.005 2 1474 140 140 ILE HG2 H 0.501 0.005 1 1475 140 140 ILE HD1 H 0.900 0.005 1 1476 140 140 ILE C C 171.824 0.005 1 1477 140 140 ILE CA C 62.525 0.005 1 1478 140 140 ILE CB C 37.376 0.005 1 1479 140 140 ILE CG1 C 26.400 0.005 1 1480 140 140 ILE CG2 C 17.733 0.005 1 1481 140 140 ILE CD1 C 14.794 0.005 1 1482 140 140 ILE N N 119.790 0.02 1 1483 141 141 GLU H H 7.052 0.005 1 1484 141 141 GLU HA H 5.056 0.005 1 1485 141 141 GLU HB2 H 1.998 0.005 2 1486 141 141 GLU HB3 H 1.365 0.005 2 1487 141 141 GLU HG2 H 1.547 0.005 1 1488 141 141 GLU HG3 H 1.547 0.005 1 1489 141 141 GLU C C 177.061 0.005 1 1490 141 141 GLU CA C 54.336 0.005 1 1491 141 141 GLU CB C 30.062 0.005 1 1492 141 141 GLU CG C 37.631 0.005 1 1493 141 141 GLU N N 119.109 0.02 1 1494 142 142 THR H H 8.917 0.005 1 1495 142 142 THR HA H 3.517 0.005 1 1496 142 142 THR HB H 4.072 0.005 1 1497 142 142 THR HG2 H 1.532 0.005 1 1498 142 142 THR C C 177.764 0.005 1 1499 142 142 THR CA C 66.020 0.005 1 1500 142 142 THR CB C 67.115 0.005 1 1501 142 142 THR CG2 C 26.732 0.005 1 1502 142 142 THR N N 115.417 0.02 1 1503 143 143 GLY H H 9.585 0.005 1 1504 143 143 GLY HA2 H 3.777 0.005 2 1505 143 143 GLY HA3 H 4.280 0.005 2 1506 143 143 GLY C C 175.553 0.005 1 1507 143 143 GLY CA C 45.859 0.005 1 1508 143 143 GLY N N 110.937 0.02 1 1509 144 144 GLU H H 7.247 0.005 1 1510 144 144 GLU HA H 4.474 0.005 1 1511 144 144 GLU HB2 H 2.160 0.005 1 1512 144 144 GLU HB3 H 2.160 0.005 1 1513 144 144 GLU HG2 H 2.407 0.005 1 1514 144 144 GLU HG3 H 2.407 0.005 1 1515 144 144 GLU C C 177.481 0.005 1 1516 144 144 GLU CA C 56.232 0.005 1 1517 144 144 GLU CB C 31.540 0.005 1 1518 144 144 GLU CG C 37.132 0.005 1 1519 144 144 GLU N N 116.282 0.02 1 1520 145 145 LEU H H 7.656 0.005 1 1521 145 145 LEU HA H 4.339 0.005 1 1522 145 145 LEU HB2 H 1.590 0.005 2 1523 145 145 LEU HB3 H 1.288 0.005 2 1524 145 145 LEU HG H 1.279 0.005 1 1525 145 145 LEU HD1 H 1.146 0.005 2 1526 145 145 LEU HD2 H 0.651 0.005 2 1527 145 145 LEU C C 180.208 0.005 1 1528 145 145 LEU CA C 58.362 0.005 1 1529 145 145 LEU CB C 44.288 0.005 1 1530 145 145 LEU CG C 28.294 0.005 1 1531 145 145 LEU CD1 C 24.412 0.005 2 1532 145 145 LEU CD2 C 24.417 0.005 2 1533 145 145 LEU N N 118.781 0.02 1 1534 146 146 LYS H H 7.968 0.005 1 1535 146 146 LYS HA H 3.571 0.005 1 1536 146 146 LYS HB2 H 2.090 0.005 2 1537 146 146 LYS HB3 H 1.863 0.005 2 1538 146 146 LYS HG2 H 1.261 0.005 1 1539 146 146 LYS HG3 H 1.261 0.005 1 1540 146 146 LYS HD2 H 1.727 0.005 2 1541 146 146 LYS HD3 H 1.661 0.005 2 1542 146 146 LYS HE2 H 3.091 0.005 1 1543 146 146 LYS HE3 H 3.091 0.005 1 1544 146 146 LYS C C 176.503 0.005 1 1545 146 146 LYS CA C 62.892 0.005 1 1546 146 146 LYS CB C 32.494 0.005 1 1547 146 146 LYS CG C 25.755 0.005 1 1548 146 146 LYS CD C 29.326 0.005 1 1549 146 146 LYS CE C 42.356 0.005 1 1550 146 146 LYS N N 109.486 0.02 1 1551 147 147 ASP H H 9.404 0.005 1 1552 147 147 ASP HA H 4.545 0.005 1 1553 147 147 ASP HB2 H 2.716 0.005 1 1554 147 147 ASP HB3 H 2.716 0.005 1 1555 147 147 ASP C C 176.958 0.005 1 1556 147 147 ASP CA C 54.223 0.005 1 1557 147 147 ASP CB C 43.285 0.005 1 1558 147 147 ASP N N 125.104 0.02 1 1559 148 148 GLU H H 9.190 0.005 1 1560 148 148 GLU HA H 3.780 0.005 1 1561 148 148 GLU HB2 H 1.990 0.005 2 1562 148 148 GLU HB3 H 2.210 0.005 2 1563 148 148 GLU HG2 H 2.278 0.005 1 1564 148 148 GLU HG3 H 2.278 0.005 1 1565 148 148 GLU C C 177.392 0.005 1 1566 148 148 GLU CA C 60.486 0.005 1 1567 148 148 GLU CB C 29.482 0.005 1 1568 148 148 GLU CG C 35.833 0.005 1 1569 148 148 GLU N N 128.188 0.02 1 1570 149 149 ALA H H 8.657 0.005 1 1571 149 149 ALA HA H 4.093 0.005 1 1572 149 149 ALA HB H 1.500 0.005 1 1573 149 149 ALA C C 181.642 0.005 1 1574 149 149 ALA CA C 55.421 0.005 1 1575 149 149 ALA CB C 18.124 0.005 1 1576 149 149 ALA N N 119.858 0.02 1 1577 150 150 LEU H H 7.434 0.005 1 1578 150 150 LEU HA H 4.235 0.005 1 1579 150 150 LEU HB2 H 2.041 0.005 2 1580 150 150 LEU HB3 H 1.920 0.005 2 1581 150 150 LEU HG H 1.526 0.005 1 1582 150 150 LEU HD1 H 0.947 0.005 2 1583 150 150 LEU HD2 H 1.197 0.005 2 1584 150 150 LEU C C 178.484 0.005 1 1585 150 150 LEU CA C 57.265 0.005 1 1586 150 150 LEU CB C 43.457 0.005 1 1587 150 150 LEU CG C 27.226 0.005 1 1588 150 150 LEU CD1 C 23.398 0.005 2 1589 150 150 LEU CD2 C 26.608 0.005 2 1590 150 150 LEU N N 118.299 0.02 1 1591 151 151 ILE H H 8.202 0.005 1 1592 151 151 ILE HA H 3.521 0.005 1 1593 151 151 ILE HB H 1.864 0.005 1 1594 151 151 ILE HG2 H 0.801 0.005 1 1595 151 151 ILE HD1 H 0.754 0.005 1 1596 151 151 ILE C C 179.643 0.005 1 1597 151 151 ILE CA C 66.124 0.005 1 1598 151 151 ILE CB C 38.518 0.005 1 1599 151 151 ILE CG1 C 30.691 0.005 1 1600 151 151 ILE CG2 C 17.408 0.005 1 1601 151 151 ILE CD1 C 13.514 0.005 1 1602 151 151 ILE N N 121.112 0.02 1 1603 152 152 ARG H H 8.688 0.005 1 1604 152 152 ARG HA H 3.831 0.005 1 1605 152 152 ARG HB2 H 1.751 0.005 1 1606 152 152 ARG HB3 H 1.751 0.005 1 1607 152 152 ARG C C 177.880 0.005 1 1608 152 152 ARG CA C 60.861 0.005 1 1609 152 152 ARG CB C 29.607 0.005 1 1610 152 152 ARG CG C 28.376 0.005 1 1611 152 152 ARG CD C 43.023 0.005 1 1612 152 152 ARG N N 121.189 0.02 1 1613 153 153 LYS H H 8.034 0.005 1 1614 153 153 LYS HA H 4.217 0.005 1 1615 153 153 LYS HB2 H 2.095 0.005 2 1616 153 153 LYS HB3 H 1.944 0.005 2 1617 153 153 LYS HG2 H 1.600 0.005 2 1618 153 153 LYS HG3 H 1.694 0.005 2 1619 153 153 LYS HD2 H 1.837 0.005 1 1620 153 153 LYS HD3 H 1.837 0.005 1 1621 153 153 LYS HE2 H 2.956 0.005 2 1622 153 153 LYS HE3 H 3.011 0.005 2 1623 153 153 LYS C C 177.983 0.005 1 1624 153 153 LYS CA C 58.571 0.005 1 1625 153 153 LYS CB C 31.449 0.005 1 1626 153 153 LYS CG C 24.009 0.005 1 1627 153 153 LYS CD C 27.728 0.005 1 1628 153 153 LYS CE C 41.234 0.005 1 1629 153 153 LYS N N 119.848 0.02 1 1630 154 154 ALA H H 8.831 0.005 1 1631 154 154 ALA HA H 3.596 0.005 1 1632 154 154 ALA HB H 0.915 0.005 1 1633 154 154 ALA C C 180.761 0.005 1 1634 154 154 ALA CA C 55.362 0.005 1 1635 154 154 ALA CB C 18.852 0.005 1 1636 154 154 ALA N N 119.692 0.02 1 1637 155 155 SER H H 7.750 0.005 1 1638 155 155 SER HA H 3.943 0.005 1 1639 155 155 SER HB2 H 3.596 0.005 1 1640 155 155 SER HB3 H 3.596 0.005 1 1641 155 155 SER C C 174.018 0.005 1 1642 155 155 SER CA C 64.170 0.005 1 1643 155 155 SER CB C 62.947 0.005 1 1644 155 155 SER N N 115.644 0.02 1 1645 156 156 GLU H H 8.595 0.005 1 1646 156 156 GLU HA H 3.934 0.005 1 1647 156 156 GLU HB2 H 2.278 0.005 2 1648 156 156 GLU HB3 H 2.163 0.005 2 1649 156 156 GLU HG2 H 2.572 0.005 1 1650 156 156 GLU HG3 H 2.572 0.005 1 1651 156 156 GLU C C 178.734 0.005 1 1652 156 156 GLU CA C 59.883 0.005 1 1653 156 156 GLU CB C 30.631 0.005 1 1654 156 156 GLU CG C 36.255 0.005 1 1655 156 156 GLU N N 123.244 0.02 1 1656 157 157 ILE H H 8.923 0.005 1 1657 157 157 ILE HA H 3.755 0.005 1 1658 157 157 ILE HB H 1.878 0.005 1 1659 157 157 ILE HG2 H 1.295 0.005 1 1660 157 157 ILE HD1 H 1.139 0.005 1 1661 157 157 ILE C C 177.677 0.005 1 1662 157 157 ILE CA C 65.977 0.005 1 1663 157 157 ILE CB C 38.909 0.005 1 1664 157 157 ILE CG1 C 29.362 0.005 1 1665 157 157 ILE CG2 C 17.705 0.005 1 1666 157 157 ILE CD1 C 15.642 0.005 1 1667 157 157 ILE N N 119.150 0.02 1 1668 158 158 SER H H 7.740 0.005 1 1669 158 158 SER HA H 4.059 0.005 1 1670 158 158 SER HB2 H 3.584 0.005 1 1671 158 158 SER HB3 H 3.584 0.005 1 1672 158 158 SER C C 175.588 0.005 1 1673 158 158 SER CA C 64.197 0.005 1 1674 158 158 SER CB C 62.825 0.005 1 1675 158 158 SER N N 113.446 0.02 1 1676 159 159 ILE H H 8.252 0.005 1 1677 159 159 ILE HA H 3.574 0.005 1 1678 159 159 ILE HB H 1.944 0.005 1 1679 159 159 ILE HG2 H 1.067 0.005 1 1680 159 159 ILE HD1 H 0.834 0.005 1 1681 159 159 ILE C C 180.568 0.005 1 1682 159 159 ILE CA C 66.345 0.005 1 1683 159 159 ILE CB C 38.470 0.005 1 1684 159 159 ILE CG2 C 18.014 0.005 1 1685 159 159 ILE CD1 C 15.006 0.005 1 1686 159 159 ILE N N 122.143 0.02 1 1687 160 160 LYS H H 9.029 0.005 1 1688 160 160 LYS HA H 4.065 0.005 1 1689 160 160 LYS HB2 H 2.242 0.005 2 1690 160 160 LYS HB3 H 2.121 0.005 2 1691 160 160 LYS HG2 H 1.588 0.005 2 1692 160 160 LYS HG3 H 1.852 0.005 2 1693 160 160 LYS HD2 H 1.735 0.005 1 1694 160 160 LYS HD3 H 1.735 0.005 1 1695 160 160 LYS HE2 H 2.956 0.005 1 1696 160 160 LYS HE3 H 2.956 0.005 1 1697 160 160 LYS C C 178.301 0.005 1 1698 160 160 LYS CA C 60.163 0.005 1 1699 160 160 LYS CB C 32.487 0.005 1 1700 160 160 LYS CG C 26.564 0.005 1 1701 160 160 LYS CD C 29.656 0.005 1 1702 160 160 LYS CE C 42.145 0.005 1 1703 160 160 LYS N N 123.284 0.02 1 1704 161 161 ALA H H 8.214 0.005 1 1705 161 161 ALA HA H 3.682 0.005 1 1706 161 161 ALA HB H 1.123 0.005 1 1707 161 161 ALA C C 176.416 0.005 1 1708 161 161 ALA CA C 53.080 0.005 1 1709 161 161 ALA CB C 20.617 0.005 1 1710 161 161 ALA N N 119.843 0.02 1 1711 162 162 GLY H H 7.460 0.005 1 1712 162 162 GLY HA2 H 4.424 0.005 2 1713 162 162 GLY HA3 H 3.743 0.005 2 1714 162 162 GLY C C 173.808 0.005 1 1715 162 162 GLY CA C 44.573 0.005 1 1716 162 162 GLY N N 102.559 0.02 1 1717 163 163 ALA H H 8.294 0.005 1 1718 163 163 ALA HA H 3.673 0.005 1 1719 163 163 ALA HB H 1.191 0.005 1 1720 163 163 ALA C C 176.202 0.005 1 1721 163 163 ALA CA C 54.536 0.005 1 1722 163 163 ALA CB C 19.851 0.005 1 1723 163 163 ALA N N 120.975 0.02 1 1724 164 164 ASP H H 8.533 0.005 1 1725 164 164 ASP HA H 4.995 0.005 1 1726 164 164 ASP HB2 H 2.738 0.005 2 1727 164 164 ASP HB3 H 2.899 0.005 2 1728 164 164 ASP C C 176.400 0.005 1 1729 164 164 ASP CA C 55.916 0.005 1 1730 164 164 ASP CB C 42.237 0.005 1 1731 164 164 ASP N N 117.882 0.02 1 1732 165 165 PHE H H 8.277 0.005 1 1733 165 165 PHE HA H 5.206 0.005 1 1734 165 165 PHE HB2 H 2.604 0.005 2 1735 165 165 PHE HB3 H 2.283 0.005 2 1736 165 165 PHE HD1 H 6.495 0.005 1 1737 165 165 PHE HD2 H 6.495 0.005 1 1738 165 165 PHE C C 176.115 0.005 1 1739 165 165 PHE CA C 56.290 0.005 1 1740 165 165 PHE CB C 46.596 0.005 1 1741 165 165 PHE CD1 C 130.364 0.005 1 1742 165 165 PHE CD2 C 130.364 0.005 1 1743 165 165 PHE N N 117.313 0.02 1 1744 166 166 ILE H H 8.665 0.005 1 1745 166 166 ILE HA H 5.164 0.005 1 1746 166 166 ILE HB H 1.765 0.005 1 1747 166 166 ILE HG12 H 1.746 0.005 1 1748 166 166 ILE HG13 H 1.746 0.005 1 1749 166 166 ILE HG2 H 0.929 0.005 1 1750 166 166 ILE HD1 H 1.001 0.005 1 1751 166 166 ILE C C 172.263 0.005 1 1752 166 166 ILE CA C 60.683 0.005 1 1753 166 166 ILE CB C 40.643 0.005 1 1754 166 166 ILE CG1 C 25.436 0.005 1 1755 166 166 ILE CG2 C 18.634 0.005 1 1756 166 166 ILE CD1 C 13.518 0.005 1 1757 166 166 ILE N N 113.507 0.02 1 1758 167 167 LYS H H 9.179 0.005 1 1759 167 167 LYS HA H 5.459 0.005 1 1760 167 167 LYS C C 177.488 0.005 1 1761 167 167 LYS CA C 52.676 0.005 1 1762 167 167 LYS CB C 38.271 0.005 1 1763 167 167 LYS N N 127.277 0.02 1 1764 168 168 THR H H 8.147 0.005 1 1765 168 168 THR HA H 4.008 0.005 1 1766 168 168 THR HB H 4.776 0.005 1 1767 168 168 THR HG2 H 1.717 0.005 1 1768 168 168 THR C C 178.116 0.005 1 1769 168 168 THR CA C 66.447 0.005 1 1770 168 168 THR CB C 68.579 0.005 1 1771 168 168 THR CG2 C 22.503 0.005 1 1772 168 168 THR N N 113.476 0.02 1 1773 169 169 SER H H 6.219 0.005 1 1774 169 169 SER HA H 5.534 0.005 1 1775 169 169 SER HB2 H 4.885 0.005 2 1776 169 169 SER HB3 H 4.968 0.005 2 1777 169 169 SER C C 172.731 0.005 1 1778 169 169 SER CA C 58.894 0.005 1 1779 169 169 SER CB C 68.163 0.005 1 1780 169 169 SER N N 110.064 0.02 1 1781 170 170 THR H H 10.212 0.005 1 1782 170 170 THR HA H 4.131 0.005 1 1783 170 170 THR HB H 3.978 0.005 1 1784 170 170 THR HG2 H 1.356 0.005 1 1785 170 170 THR C C 177.863 0.005 1 1786 170 170 THR CA C 63.450 0.005 1 1787 170 170 THR CB C 71.777 0.005 1 1788 170 170 THR CG2 C 22.585 0.005 1 1789 170 170 THR N N 112.352 0.02 1 1790 171 171 GLY H H 7.505 0.005 1 1791 171 171 GLY HA2 H 4.361 0.005 2 1792 171 171 GLY HA3 H 3.536 0.005 2 1793 171 171 GLY C C 174.883 0.005 1 1794 171 171 GLY CA C 45.765 0.005 1 1795 171 171 GLY N N 107.417 0.02 1 1796 172 172 LYS H H 8.322 0.005 1 1797 172 172 LYS HA H 4.615 0.005 1 1798 172 172 LYS HB2 H 2.059 0.005 2 1799 172 172 LYS HB3 H 1.583 0.005 2 1800 172 172 LYS HG2 H 1.170 0.005 2 1801 172 172 LYS HG3 H 1.239 0.005 2 1802 172 172 LYS HD2 H 1.606 0.005 2 1803 172 172 LYS HD3 H 1.699 0.005 2 1804 172 172 LYS HE2 H 3.464 0.005 1 1805 172 172 LYS HE3 H 3.464 0.005 1 1806 172 172 LYS C C 176.018 0.005 1 1807 172 172 LYS CA C 54.176 0.005 1 1808 172 172 LYS CB C 32.216 0.005 1 1809 172 172 LYS CG C 24.618 0.005 1 1810 172 172 LYS CD C 28.267 0.005 1 1811 172 172 LYS CE C 42.581 0.005 1 1812 172 172 LYS N N 117.251 0.02 1 1813 173 173 VAL H H 6.894 0.005 1 1814 173 173 VAL HA H 4.651 0.005 1 1815 173 173 VAL HB H 2.460 0.005 1 1816 173 173 VAL HG1 H 0.661 0.005 2 1817 173 173 VAL HG2 H 0.790 0.005 2 1818 173 173 VAL C C 175.795 0.005 1 1819 173 173 VAL CA C 59.438 0.005 1 1820 173 173 VAL CB C 33.235 0.005 1 1821 173 173 VAL CG1 C 18.719 0.005 2 1822 173 173 VAL CG2 C 22.364 0.005 2 1823 173 173 VAL N N 111.109 0.02 1 1824 174 174 ALA H H 8.382 0.005 1 1825 174 174 ALA HA H 3.972 0.005 1 1826 174 174 ALA HB H 1.457 0.005 1 1827 174 174 ALA C C 178.503 0.005 1 1828 174 174 ALA CA C 55.814 0.005 1 1829 174 174 ALA CB C 19.024 0.005 1 1830 174 174 ALA N N 122.152 0.02 1 1831 175 175 VAL H H 8.055 0.005 1 1832 175 175 VAL HA H 3.967 0.005 1 1833 175 175 VAL HB H 1.900 0.005 1 1834 175 175 VAL HG1 H 0.902 0.005 2 1835 175 175 VAL HG2 H 0.979 0.005 2 1836 175 175 VAL C C 174.486 0.005 1 1837 175 175 VAL CA C 62.360 0.005 1 1838 175 175 VAL CB C 33.150 0.005 1 1839 175 175 VAL CG1 C 20.957 0.005 2 1840 175 175 VAL CG2 C 20.957 0.005 2 1841 175 175 VAL N N 118.164 0.02 1 1842 176 176 ASN H H 8.289 0.005 1 1843 176 176 ASN HA H 5.004 0.005 1 1844 176 176 ASN HB2 H 2.332 0.005 2 1845 176 176 ASN HB3 H 3.207 0.005 2 1846 176 176 ASN HD21 H 6.393 0.005 1 1847 176 176 ASN HD22 H 7.247 0.005 1 1848 176 176 ASN C C 173.130 0.005 1 1849 176 176 ASN CA C 52.550 0.005 1 1850 176 176 ASN CB C 39.623 0.005 1 1851 176 176 ASN CG C 175.512 0.005 1 1852 176 176 ASN N N 128.557 0.02 1 1853 176 176 ASN ND2 N 113.251 0.02 1 1854 177 177 ALA H H 7.355 0.005 1 1855 177 177 ALA HA H 3.872 0.005 1 1856 177 177 ALA HB H 1.414 0.005 1 1857 177 177 ALA C C 176.849 0.005 1 1858 177 177 ALA CA C 55.213 0.005 1 1859 177 177 ALA CB C 18.807 0.005 1 1860 177 177 ALA N N 123.499 0.02 1 1861 178 178 THR H H 7.151 0.005 1 1862 178 178 THR HA H 4.972 0.005 1 1863 178 178 THR HB H 4.719 0.005 1 1864 178 178 THR HG2 H 1.302 0.005 1 1865 178 178 THR CA C 59.241 0.005 1 1866 178 178 THR CB C 71.120 0.005 1 1867 178 178 THR CG2 C 22.003 0.005 1 1868 178 178 THR N N 108.907 0.02 1 1869 179 179 PRO HA H 3.956 0.005 1 1870 179 179 PRO HB2 H 1.847 0.005 1 1871 179 179 PRO HB3 H 1.847 0.005 1 1872 179 179 PRO HG2 H 1.482 0.005 1 1873 179 179 PRO HG3 H 1.482 0.005 1 1874 179 179 PRO HD2 H 3.956 0.005 2 1875 179 179 PRO HD3 H 3.908 0.005 2 1876 179 179 PRO C C 178.819 0.005 1 1877 179 179 PRO CA C 65.325 0.005 1 1878 179 179 PRO CB C 31.619 0.005 1 1879 179 179 PRO CG C 28.173 0.005 1 1880 179 179 PRO CD C 50.457 0.005 1 1881 180 180 GLU H H 8.703 0.005 1 1882 180 180 GLU HA H 4.047 0.005 1 1883 180 180 GLU HB2 H 2.153 0.005 2 1884 180 180 GLU HB3 H 1.942 0.005 2 1885 180 180 GLU HG2 H 2.509 0.005 2 1886 180 180 GLU HG3 H 2.231 0.005 2 1887 180 180 GLU C C 179.104 0.005 1 1888 180 180 GLU CA C 60.764 0.005 1 1889 180 180 GLU CB C 28.971 0.005 1 1890 180 180 GLU CG C 37.254 0.005 1 1891 180 180 GLU N N 117.599 0.02 1 1892 181 181 SER H H 8.288 0.005 1 1893 181 181 SER HA H 4.155 0.005 1 1894 181 181 SER HB2 H 3.969 0.005 1 1895 181 181 SER HB3 H 3.969 0.005 1 1896 181 181 SER C C 176.204 0.005 1 1897 181 181 SER CA C 61.817 0.005 1 1898 181 181 SER CB C 62.613 0.005 1 1899 181 181 SER N N 116.802 0.02 1 1900 182 182 ALA H H 8.449 0.005 1 1901 182 182 ALA HA H 4.236 0.005 1 1902 182 182 ALA HB H 1.777 0.005 1 1903 182 182 ALA C C 178.121 0.005 1 1904 182 182 ALA CA C 54.823 0.005 1 1905 182 182 ALA CB C 19.503 0.005 1 1906 182 182 ALA N N 123.362 0.02 1 1907 183 183 ARG H H 7.997 0.005 1 1908 183 183 ARG HA H 3.604 0.005 1 1909 183 183 ARG HB2 H 1.837 0.005 1 1910 183 183 ARG HB3 H 1.837 0.005 1 1911 183 183 ARG HG2 H 1.361 0.005 2 1912 183 183 ARG HG3 H 1.509 0.005 2 1913 183 183 ARG HD2 H 3.056 0.005 2 1914 183 183 ARG HD3 H 3.308 0.005 2 1915 183 183 ARG C C 177.023 0.005 1 1916 183 183 ARG CA C 60.491 0.005 1 1917 183 183 ARG CB C 29.915 0.005 1 1918 183 183 ARG CG C 27.679 0.005 1 1919 183 183 ARG CD C 42.947 0.005 1 1920 183 183 ARG N N 117.486 0.02 1 1921 184 184 ILE H H 7.496 0.005 1 1922 184 184 ILE HA H 3.505 0.005 1 1923 184 184 ILE HB H 1.726 0.005 1 1924 184 184 ILE HG2 H 0.781 0.005 1 1925 184 184 ILE HD1 H 0.800 0.005 1 1926 184 184 ILE C C 177.687 0.005 1 1927 184 184 ILE CA C 65.365 0.005 1 1928 184 184 ILE CB C 38.723 0.005 1 1929 184 184 ILE CG1 C 28.795 0.005 1 1930 184 184 ILE CG2 C 19.120 0.005 1 1931 184 184 ILE CD1 C 14.090 0.005 1 1932 184 184 ILE N N 116.554 0.02 1 1933 185 185 MET H H 7.634 0.005 1 1934 185 185 MET HA H 3.656 0.005 1 1935 185 185 MET HB2 H 1.976 0.005 1 1936 185 185 MET HB3 H 1.976 0.005 1 1937 185 185 MET C C 178.095 0.005 1 1938 185 185 MET CA C 60.504 0.005 1 1939 185 185 MET CB C 33.582 0.005 1 1940 185 185 MET N N 115.526 0.02 1 1941 186 186 MET H H 8.018 0.005 1 1942 186 186 MET HA H 3.858 0.005 1 1943 186 186 MET HB2 H 1.937 0.005 1 1944 186 186 MET HB3 H 1.937 0.005 1 1945 186 186 MET HG2 H 1.990 0.005 1 1946 186 186 MET HG3 H 1.990 0.005 1 1947 186 186 MET C C 177.826 0.005 1 1948 186 186 MET CA C 60.624 0.005 1 1949 186 186 MET CB C 34.519 0.005 1 1950 186 186 MET CG C 35.031 0.005 1 1951 186 186 MET N N 115.702 0.02 1 1952 187 187 GLU H H 8.496 0.005 1 1953 187 187 GLU HA H 3.611 0.005 1 1954 187 187 GLU HB2 H 1.868 0.005 1 1955 187 187 GLU HB3 H 1.868 0.005 1 1956 187 187 GLU HG2 H 2.606 0.005 1 1957 187 187 GLU HG3 H 2.606 0.005 1 1958 187 187 GLU C C 178.448 0.005 1 1959 187 187 GLU CA C 60.255 0.005 1 1960 187 187 GLU CB C 29.521 0.005 1 1961 187 187 GLU CG C 37.909 0.005 1 1962 187 187 GLU N N 119.332 0.02 1 1963 188 188 VAL H H 7.611 0.005 1 1964 188 188 VAL HA H 3.705 0.005 1 1965 188 188 VAL HB H 2.357 0.005 1 1966 188 188 VAL HG1 H 1.243 0.005 2 1967 188 188 VAL HG2 H 0.886 0.005 2 1968 188 188 VAL C C 177.675 0.005 1 1969 188 188 VAL CA C 67.311 0.005 1 1970 188 188 VAL CB C 30.899 0.005 1 1971 188 188 VAL CG1 C 23.191 0.005 2 1972 188 188 VAL CG2 C 22.882 0.005 2 1973 188 188 VAL N N 119.912 0.02 1 1974 189 189 ILE H H 7.156 0.005 1 1975 189 189 ILE HA H 3.378 0.005 1 1976 189 189 ILE HB H 2.273 0.005 1 1977 189 189 ILE HG2 H 0.825 0.005 1 1978 189 189 ILE HD1 H 0.822 0.005 1 1979 189 189 ILE C C 177.676 0.005 1 1980 189 189 ILE CA C 65.650 0.005 1 1981 189 189 ILE CB C 38.166 0.005 1 1982 189 189 ILE CG2 C 17.170 0.005 1 1983 189 189 ILE CD1 C 14.090 0.005 1 1984 189 189 ILE N N 119.235 0.02 1 1985 190 190 ARG H H 8.046 0.005 1 1986 190 190 ARG HA H 4.204 0.005 1 1987 190 190 ARG HB2 H 2.187 0.005 2 1988 190 190 ARG HB3 H 1.697 0.005 2 1989 190 190 ARG HG2 H 1.422 0.005 2 1990 190 190 ARG HG3 H 1.760 0.005 2 1991 190 190 ARG HD2 H 3.167 0.005 2 1992 190 190 ARG HD3 H 2.748 0.005 2 1993 190 190 ARG C C 180.762 0.005 1 1994 190 190 ARG CA C 59.437 0.005 1 1995 190 190 ARG CB C 29.821 0.005 1 1996 190 190 ARG CG C 25.663 0.005 1 1997 190 190 ARG CD C 43.231 0.005 1 1998 190 190 ARG N N 117.951 0.02 1 1999 191 191 ASP H H 9.710 0.005 1 2000 191 191 ASP HA H 4.359 0.005 1 2001 191 191 ASP HB2 H 2.840 0.005 2 2002 191 191 ASP HB3 H 2.708 0.005 2 2003 191 191 ASP C C 179.081 0.005 1 2004 191 191 ASP CA C 57.535 0.005 1 2005 191 191 ASP CB C 39.893 0.005 1 2006 191 191 ASP N N 123.475 0.02 1 2007 192 192 MET H H 8.648 0.005 1 2008 192 192 MET HA H 4.341 0.005 1 2009 192 192 MET HB2 H 2.088 0.005 2 2010 192 192 MET HB3 H 2.365 0.005 2 2011 192 192 MET HG2 H 2.968 0.005 2 2012 192 192 MET HG3 H 2.530 0.005 2 2013 192 192 MET C C 176.874 0.005 1 2014 192 192 MET CA C 57.179 0.005 1 2015 192 192 MET CB C 34.391 0.005 1 2016 192 192 MET CG C 33.496 0.005 1 2017 192 192 MET N N 116.578 0.02 1 2018 193 193 GLY H H 8.102 0.005 1 2019 193 193 GLY HA2 H 4.334 0.005 2 2020 193 193 GLY HA3 H 4.100 0.005 2 2021 193 193 GLY C C 177.333 0.005 1 2022 193 193 GLY CA C 46.943 0.005 1 2023 193 193 GLY N N 109.246 0.02 1 2024 194 194 VAL H H 7.671 0.005 1 2025 194 194 VAL HA H 4.825 0.005 1 2026 194 194 VAL HB H 2.864 0.005 1 2027 194 194 VAL HG1 H 0.803 0.005 2 2028 194 194 VAL HG2 H 1.012 0.005 2 2029 194 194 VAL C C 175.375 0.005 1 2030 194 194 VAL CA C 60.696 0.005 1 2031 194 194 VAL CB C 30.412 0.005 1 2032 194 194 VAL CG1 C 20.521 0.005 2 2033 194 194 VAL CG2 C 20.275 0.005 2 2034 194 194 VAL N N 110.224 0.02 1 2035 195 195 GLU H H 9.487 0.005 1 2036 195 195 GLU HA H 4.174 0.005 1 2037 195 195 GLU HB2 H 1.357 0.005 2 2038 195 195 GLU HB3 H 1.667 0.005 2 2039 195 195 GLU HG2 H 2.133 0.005 2 2040 195 195 GLU HG3 H 2.080 0.005 2 2041 195 195 GLU C C 177.720 0.005 1 2042 195 195 GLU CA C 59.107 0.005 1 2043 195 195 GLU CB C 27.270 0.005 1 2044 195 195 GLU CG C 34.909 0.005 1 2045 195 195 GLU N N 123.726 0.02 1 2046 196 196 LYS H H 8.720 0.005 1 2047 196 196 LYS HA H 4.517 0.005 1 2048 196 196 LYS HB2 H 1.922 0.005 1 2049 196 196 LYS HB3 H 1.922 0.005 1 2050 196 196 LYS HG2 H 1.504 0.005 2 2051 196 196 LYS HG3 H 1.656 0.005 2 2052 196 196 LYS HD2 H 1.762 0.005 1 2053 196 196 LYS HE2 H 3.064 0.005 1 2054 196 196 LYS HE3 H 3.064 0.005 1 2055 196 196 LYS C C 181.327 0.005 1 2056 196 196 LYS CA C 59.345 0.005 1 2057 196 196 LYS CB C 33.026 0.005 1 2058 196 196 LYS CG C 25.901 0.005 1 2059 196 196 LYS CD C 29.086 0.005 1 2060 196 196 LYS CE C 42.084 0.005 1 2061 196 196 LYS N N 117.709 0.02 1 2062 197 197 THR H H 7.840 0.005 1 2063 197 197 THR HA H 4.426 0.005 1 2064 197 197 THR HB H 4.466 0.005 1 2065 197 197 THR HG2 H 1.153 0.005 1 2066 197 197 THR C C 173.748 0.005 1 2067 197 197 THR CA C 61.833 0.005 1 2068 197 197 THR CB C 69.847 0.005 1 2069 197 197 THR CG2 C 22.719 0.005 1 2070 197 197 THR N N 109.769 0.02 1 2071 198 198 VAL H H 8.105 0.005 1 2072 198 198 VAL HA H 4.582 0.005 1 2073 198 198 VAL HB H 1.853 0.005 1 2074 198 198 VAL HG1 H 0.891 0.005 2 2075 198 198 VAL HG2 H 1.111 0.005 2 2076 198 198 VAL C C 173.507 0.005 1 2077 198 198 VAL CA C 61.929 0.005 1 2078 198 198 VAL CB C 34.090 0.005 1 2079 198 198 VAL CG1 C 20.997 0.005 2 2080 198 198 VAL CG2 C 21.900 0.005 2 2081 198 198 VAL N N 125.949 0.02 1 2082 199 199 GLY H H 7.868 0.005 1 2083 199 199 GLY HA2 H 3.850 0.005 1 2084 199 199 GLY HA3 H 3.850 0.005 1 2085 199 199 GLY C C 172.556 0.005 1 2086 199 199 GLY CA C 43.558 0.005 1 2087 199 199 GLY N N 107.778 0.02 1 2088 200 200 PHE H H 8.495 0.005 1 2089 200 200 PHE HA H 5.524 0.005 1 2090 200 200 PHE HB2 H 3.109 0.005 2 2091 200 200 PHE HB3 H 2.884 0.005 2 2092 200 200 PHE HD1 H 7.346 0.005 1 2093 200 200 PHE HD2 H 7.346 0.005 1 2094 200 200 PHE C C 171.619 0.005 1 2095 200 200 PHE CA C 56.239 0.005 1 2096 200 200 PHE CB C 44.394 0.005 1 2097 200 200 PHE CD1 C 131.062 0.005 1 2098 200 200 PHE CD2 C 131.062 0.005 1 2099 200 200 PHE N N 119.140 0.02 1 2100 201 201 LYS H H 7.223 0.005 1 2101 201 201 LYS HA H 5.103 0.005 1 2102 201 201 LYS CA C 50.472 0.005 1 2103 201 201 LYS N N 125.692 0.02 1 2104 202 202 PRO HA H 4.492 0.005 1 2105 202 202 PRO HB2 H 1.717 0.005 1 2106 202 202 PRO HB3 H 1.717 0.005 1 2107 202 202 PRO C C 175.410 0.005 1 2108 202 202 PRO CA C 62.081 0.005 1 2109 202 202 PRO CB C 31.831 0.005 1 2110 202 202 PRO CG C 26.725 0.005 1 2111 203 203 ALA H H 7.888 0.005 1 2112 203 203 ALA HA H 5.141 0.005 1 2113 203 203 ALA HB H 1.352 0.005 1 2114 203 203 ALA C C 176.118 0.005 1 2115 203 203 ALA CA C 50.719 0.005 1 2116 203 203 ALA CB C 24.393 0.005 1 2117 203 203 ALA N N 125.826 0.02 1 2118 204 204 GLY H H 7.352 0.005 1 2119 204 204 GLY HA2 H 3.601 0.005 1 2120 204 204 GLY HA3 H 3.601 0.005 1 2121 204 204 GLY C C 173.370 0.005 1 2122 204 204 GLY CA C 45.755 0.005 1 2123 204 204 GLY N N 108.859 0.02 1 2124 205 205 GLY H H 8.336 0.005 1 2125 205 205 GLY N N 108.344 0.02 1 2126 206 206 VAL HA H 4.132 0.005 1 2127 206 206 VAL HB H 2.116 0.005 1 2128 206 206 VAL HG1 H 0.755 0.005 2 2129 206 206 VAL HG2 H 0.478 0.005 2 2130 206 206 VAL C C 174.960 0.005 1 2131 206 206 VAL CA C 62.337 0.005 1 2132 206 206 VAL CB C 30.460 0.005 1 2133 206 206 VAL CG1 C 22.602 0.005 2 2134 206 206 VAL CG2 C 19.072 0.005 2 2135 207 207 ARG H H 9.235 0.005 1 2136 207 207 ARG HA H 4.426 0.005 1 2137 207 207 ARG HB2 H 1.864 0.005 2 2138 207 207 ARG HB3 H 1.943 0.005 2 2139 207 207 ARG HG2 H 1.519 0.005 1 2140 207 207 ARG HG3 H 1.519 0.005 1 2141 207 207 ARG HD2 H 3.227 0.005 1 2142 207 207 ARG HD3 H 3.227 0.005 1 2143 207 207 ARG C C 176.170 0.005 1 2144 207 207 ARG CA C 58.038 0.005 1 2145 207 207 ARG CB C 33.500 0.005 1 2146 207 207 ARG CG C 27.981 0.005 1 2147 207 207 ARG CD C 43.176 0.005 1 2148 207 207 ARG N N 126.210 0.02 1 2149 208 208 THR H H 8.098 0.005 1 2150 208 208 THR HA H 4.924 0.005 1 2151 208 208 THR HB H 4.729 0.005 1 2152 208 208 THR HG2 H 1.219 0.005 1 2153 208 208 THR C C 174.869 0.005 1 2154 208 208 THR CA C 58.607 0.005 1 2155 208 208 THR CB C 72.872 0.005 1 2156 208 208 THR CG2 C 21.590 0.005 1 2157 208 208 THR N N 108.686 0.02 1 2158 209 209 ALA H H 8.728 0.005 1 2159 209 209 ALA HA H 3.738 0.005 1 2160 209 209 ALA HB H 1.279 0.005 1 2161 209 209 ALA C C 179.857 0.005 1 2162 209 209 ALA CA C 55.116 0.005 1 2163 209 209 ALA CB C 18.107 0.005 1 2164 209 209 ALA N N 123.108 0.02 1 2165 210 210 GLU H H 9.475 0.005 1 2166 210 210 GLU HA H 3.866 0.005 1 2167 210 210 GLU HB2 H 1.953 0.005 2 2168 210 210 GLU HB3 H 2.107 0.005 2 2169 210 210 GLU HG2 H 2.252 0.005 2 2170 210 210 GLU HG3 H 2.518 0.005 2 2171 210 210 GLU C C 179.194 0.005 1 2172 210 210 GLU CA C 61.021 0.005 1 2173 210 210 GLU CB C 28.717 0.005 1 2174 210 210 GLU CG C 37.642 0.005 1 2175 210 210 GLU N N 120.241 0.02 1 2176 211 211 ASP H H 8.124 0.005 1 2177 211 211 ASP HA H 4.485 0.005 1 2178 211 211 ASP HB2 H 2.778 0.005 2 2179 211 211 ASP HB3 H 3.237 0.005 2 2180 211 211 ASP C C 178.145 0.005 1 2181 211 211 ASP CA C 57.549 0.005 1 2182 211 211 ASP CB C 41.557 0.005 1 2183 211 211 ASP N N 121.411 0.02 1 2184 212 212 ALA H H 7.941 0.005 1 2185 212 212 ALA HA H 3.974 0.005 1 2186 212 212 ALA HB H 0.941 0.005 1 2187 212 212 ALA C C 178.681 0.005 1 2188 212 212 ALA CA C 55.691 0.005 1 2189 212 212 ALA CB C 17.256 0.005 1 2190 212 212 ALA N N 120.803 0.02 1 2191 213 213 GLN H H 7.757 0.005 1 2192 213 213 GLN HA H 3.888 0.005 1 2193 213 213 GLN HB2 H 2.018 0.005 2 2194 213 213 GLN HB3 H 2.287 0.005 2 2195 213 213 GLN HG2 H 2.453 0.005 2 2196 213 213 GLN HG3 H 2.289 0.005 2 2197 213 213 GLN HE21 H 7.395 0.005 1 2198 213 213 GLN HE22 H 6.640 0.005 1 2199 213 213 GLN C C 178.082 0.005 1 2200 213 213 GLN CA C 59.712 0.005 1 2201 213 213 GLN CB C 28.923 0.005 1 2202 213 213 GLN CG C 34.048 0.005 1 2203 213 213 GLN CD C 179.462 0.005 1 2204 213 213 GLN N N 116.353 0.02 1 2205 213 213 GLN NE2 N 110.180 0.02 1 2206 214 214 LYS H H 7.705 0.005 1 2207 214 214 LYS HA H 4.056 0.005 1 2208 214 214 LYS HB2 H 1.858 0.005 2 2209 214 214 LYS HB3 H 2.044 0.005 2 2210 214 214 LYS HG2 H 1.383 0.005 1 2211 214 214 LYS HG3 H 1.383 0.005 1 2212 214 214 LYS HD2 H 1.677 0.005 2 2213 214 214 LYS HD3 H 1.599 0.005 2 2214 214 214 LYS HE2 H 2.928 0.005 1 2215 214 214 LYS HE3 H 2.928 0.005 1 2216 214 214 LYS C C 179.410 0.005 1 2217 214 214 LYS CA C 59.635 0.005 1 2218 214 214 LYS CB C 32.190 0.005 1 2219 214 214 LYS CG C 25.093 0.005 1 2220 214 214 LYS CD C 29.419 0.005 1 2221 214 214 LYS CE C 42.090 0.005 1 2222 214 214 LYS N N 119.904 0.02 1 2223 215 215 TYR H H 8.168 0.005 1 2224 215 215 TYR HA H 4.414 0.005 1 2225 215 215 TYR HB2 H 3.210 0.005 2 2226 215 215 TYR HB3 H 2.269 0.005 2 2227 215 215 TYR HD1 H 7.441 0.005 1 2228 215 215 TYR HD2 H 7.441 0.005 1 2229 215 215 TYR HE1 H 6.734 0.005 1 2230 215 215 TYR HE2 H 6.734 0.005 1 2231 215 215 TYR C C 180.948 0.005 1 2232 215 215 TYR CA C 63.613 0.005 1 2233 215 215 TYR CB C 38.282 0.005 1 2234 215 215 TYR CD1 C 132.671 0.005 1 2235 215 215 TYR CD2 C 132.671 0.005 1 2236 215 215 TYR CE1 C 117.491 0.005 1 2237 215 215 TYR CE2 C 117.491 0.005 1 2238 215 215 TYR N N 117.942 0.02 1 2239 216 216 LEU H H 8.331 0.005 1 2240 216 216 LEU HA H 3.939 0.005 1 2241 216 216 LEU HB2 H 1.924 0.005 2 2242 216 216 LEU HB3 H 1.458 0.005 2 2243 216 216 LEU HD1 H 0.861 0.005 2 2244 216 216 LEU HD2 H 0.216 0.005 2 2245 216 216 LEU C C 177.833 0.005 1 2246 216 216 LEU CA C 57.913 0.005 1 2247 216 216 LEU CB C 41.911 0.005 1 2248 216 216 LEU CD1 C 25.978 0.005 2 2249 216 216 LEU CD2 C 21.688 0.005 2 2250 216 216 LEU N N 122.167 0.02 1 2251 217 217 ALA H H 8.139 0.005 1 2252 217 217 ALA HA H 4.226 0.005 1 2253 217 217 ALA HB H 1.536 0.005 1 2254 217 217 ALA C C 180.920 0.005 1 2255 217 217 ALA CA C 55.098 0.005 1 2256 217 217 ALA CB C 17.803 0.005 1 2257 217 217 ALA N N 120.387 0.02 1 2258 218 218 ILE H H 7.304 0.005 1 2259 218 218 ILE HA H 3.672 0.005 1 2260 218 218 ILE HB H 1.811 0.005 1 2261 218 218 ILE HG2 H 0.828 0.005 1 2262 218 218 ILE C C 177.228 0.005 1 2263 218 218 ILE CA C 65.302 0.005 1 2264 218 218 ILE CB C 39.239 0.005 1 2265 218 218 ILE CG1 C 28.232 0.005 1 2266 218 218 ILE CG2 C 17.666 0.005 1 2267 218 218 ILE CD1 C 14.681 0.005 1 2268 218 218 ILE N N 117.679 0.02 1 2269 219 219 ALA H H 6.857 0.005 1 2270 219 219 ALA HA H 4.151 0.005 1 2271 219 219 ALA HB H 1.961 0.005 1 2272 219 219 ALA C C 178.463 0.005 1 2273 219 219 ALA CA C 55.722 0.005 1 2274 219 219 ALA CB C 18.637 0.005 1 2275 219 219 ALA N N 121.352 0.02 1 2276 220 220 ASP H H 8.527 0.005 1 2277 220 220 ASP HA H 4.007 0.005 1 2278 220 220 ASP HB2 H 2.649 0.005 2 2279 220 220 ASP HB3 H 2.542 0.005 2 2280 220 220 ASP C C 179.504 0.005 1 2281 220 220 ASP CA C 56.681 0.005 1 2282 220 220 ASP CB C 39.753 0.005 1 2283 220 220 ASP N N 117.744 0.02 1 2284 221 221 GLU H H 7.923 0.005 1 2285 221 221 GLU HA H 3.885 0.005 1 2286 221 221 GLU HB2 H 2.115 0.005 1 2287 221 221 GLU HB3 H 2.115 0.005 1 2288 221 221 GLU HG2 H 2.316 0.005 2 2289 221 221 GLU HG3 H 1.971 0.005 2 2290 221 221 GLU C C 178.039 0.005 1 2291 221 221 GLU CA C 58.952 0.005 1 2292 221 221 GLU CB C 29.868 0.005 1 2293 221 221 GLU CG C 35.717 0.005 1 2294 221 221 GLU N N 120.529 0.02 1 2295 222 222 LEU H H 7.667 0.005 1 2296 222 222 LEU HA H 3.759 0.005 1 2297 222 222 LEU HB2 H 0.990 0.005 2 2298 222 222 LEU HB3 H -0.177 0.005 2 2299 222 222 LEU HG H 1.463 0.005 1 2300 222 222 LEU HD1 H 0.499 0.005 2 2301 222 222 LEU HD2 H 0.494 0.005 2 2302 222 222 LEU C C 178.802 0.005 1 2303 222 222 LEU CA C 57.415 0.005 1 2304 222 222 LEU CB C 42.401 0.005 1 2305 222 222 LEU CG C 27.556 0.005 1 2306 222 222 LEU CD1 C 26.384 0.005 2 2307 222 222 LEU CD2 C 23.780 0.005 2 2308 222 222 LEU N N 118.163 0.02 1 2309 223 223 PHE H H 8.169 0.005 1 2310 223 223 PHE HA H 4.692 0.005 1 2311 223 223 PHE HB2 H 2.319 0.005 2 2312 223 223 PHE HB3 H 2.867 0.005 2 2313 223 223 PHE HD1 H 6.497 0.005 1 2314 223 223 PHE HD2 H 6.497 0.005 1 2315 223 223 PHE HE1 H 6.562 0.005 1 2316 223 223 PHE HE2 H 6.562 0.005 1 2317 223 223 PHE C C 176.927 0.005 1 2318 223 223 PHE CA C 57.269 0.005 1 2319 223 223 PHE CB C 41.759 0.005 1 2320 223 223 PHE CD1 C 131.122 0.005 1 2321 223 223 PHE CD2 C 131.122 0.005 1 2322 223 223 PHE CE1 C 129.081 0.005 1 2323 223 223 PHE CE2 C 129.081 0.005 1 2324 223 223 PHE N N 113.782 0.02 1 2325 224 224 GLY H H 7.451 0.005 1 2326 224 224 GLY HA2 H 3.931 0.005 2 2327 224 224 GLY HA3 H 4.621 0.005 2 2328 224 224 GLY C C 174.648 0.005 1 2329 224 224 GLY CA C 44.516 0.005 1 2330 224 224 GLY N N 110.300 0.02 1 2331 225 225 ALA H H 8.582 0.005 1 2332 225 225 ALA HA H 4.351 0.005 1 2333 225 225 ALA HB H 1.401 0.005 1 2334 225 225 ALA C C 177.586 0.005 1 2335 225 225 ALA CA C 52.562 0.005 1 2336 225 225 ALA CB C 19.213 0.005 1 2337 225 225 ALA N N 122.204 0.02 1 2338 226 226 ASP H H 8.195 0.005 1 2339 226 226 ASP HA H 4.628 0.005 1 2340 226 226 ASP HB2 H 2.739 0.005 2 2341 226 226 ASP HB3 H 2.558 0.005 2 2342 226 226 ASP C C 176.627 0.005 1 2343 226 226 ASP CA C 54.339 0.005 1 2344 226 226 ASP CB C 41.216 0.005 1 2345 226 226 ASP N N 114.102 0.02 1 2346 227 227 TRP H H 7.423 0.005 1 2347 227 227 TRP HA H 3.931 0.005 1 2348 227 227 TRP HB2 H 3.009 0.005 2 2349 227 227 TRP HB3 H 3.145 0.005 2 2350 227 227 TRP HD1 H 6.784 0.005 1 2351 227 227 TRP HE1 H 9.731 0.005 1 2352 227 227 TRP HE3 H 7.516 0.005 1 2353 227 227 TRP HZ2 H 7.820 0.005 1 2354 227 227 TRP HZ3 H 7.303 0.005 1 2355 227 227 TRP HH2 H 7.230 0.005 1 2356 227 227 TRP C C 177.004 0.005 1 2357 227 227 TRP CA C 61.590 0.005 1 2358 227 227 TRP CB C 29.655 0.005 1 2359 227 227 TRP CD1 C 125.585 0.005 1 2360 227 227 TRP CE3 C 119.030 0.005 1 2361 227 227 TRP CZ2 C 114.666 0.005 1 2362 227 227 TRP CZ3 C 121.310 0.005 1 2363 227 227 TRP CH2 C 124.391 0.005 1 2364 227 227 TRP N N 122.023 0.02 1 2365 227 227 TRP NE1 N 130.752 0.02 1 2366 228 228 ALA H H 8.236 0.005 1 2367 228 228 ALA HA H 3.691 0.005 1 2368 228 228 ALA HB H 1.113 0.005 1 2369 228 228 ALA C C 174.998 0.005 1 2370 228 228 ALA CA C 53.380 0.005 1 2371 228 228 ALA CB C 16.134 0.005 1 2372 228 228 ALA N N 117.799 0.02 1 2373 229 229 ASP H H 7.872 0.005 1 2374 229 229 ASP HA H 4.620 0.005 1 2375 229 229 ASP HB2 H 2.765 0.005 2 2376 229 229 ASP HB3 H 3.152 0.005 2 2377 229 229 ASP C C 176.510 0.005 1 2378 229 229 ASP CA C 52.063 0.005 1 2379 229 229 ASP CB C 41.369 0.005 1 2380 229 229 ASP N N 124.115 0.02 1 2381 230 230 ALA H H 8.597 0.005 1 2382 230 230 ALA HA H 4.472 0.005 1 2383 230 230 ALA HB H 1.482 0.005 1 2384 230 230 ALA C C 178.503 0.005 1 2385 230 230 ALA CA C 55.152 0.005 1 2386 230 230 ALA CB C 17.550 0.005 1 2387 230 230 ALA N N 118.822 0.02 1 2388 231 231 ARG H H 7.452 0.005 1 2389 231 231 ARG HA H 4.420 0.005 1 2390 231 231 ARG HB2 H 1.720 0.005 2 2391 231 231 ARG HB3 H 1.775 0.005 2 2392 231 231 ARG HG2 H 1.592 0.005 1 2393 231 231 ARG HG3 H 1.592 0.005 1 2394 231 231 ARG HD2 H 3.111 0.005 1 2395 231 231 ARG HD3 H 3.111 0.005 1 2396 231 231 ARG C C 173.151 0.005 1 2397 231 231 ARG CA C 53.690 0.005 1 2398 231 231 ARG CB C 28.480 0.005 1 2399 231 231 ARG CG C 27.663 0.005 1 2400 231 231 ARG CD C 42.028 0.005 1 2401 231 231 ARG N N 115.332 0.02 1 2402 232 232 HIS H H 7.797 0.005 1 2403 232 232 HIS HA H 3.962 0.005 1 2404 232 232 HIS HB2 H 1.766 0.005 2 2405 232 232 HIS HB3 H 1.834 0.005 2 2406 232 232 HIS HD2 H 6.982 0.005 1 2407 232 232 HIS HE1 H 8.556 0.005 1 2408 232 232 HIS C C 171.377 0.005 1 2409 232 232 HIS CA C 56.421 0.005 1 2410 232 232 HIS CB C 28.600 0.005 1 2411 232 232 HIS CD2 C 118.742 0.005 1 2412 232 232 HIS CE1 C 134.797 0.005 1 2413 232 232 HIS N N 114.245 0.02 1 2414 233 233 TYR H H 8.706 0.005 1 2415 233 233 TYR HA H 5.534 0.005 1 2416 233 233 TYR HB2 H 2.961 0.005 2 2417 233 233 TYR HB3 H 2.258 0.005 2 2418 233 233 TYR HD1 H 6.895 0.005 1 2419 233 233 TYR HD2 H 6.895 0.005 1 2420 233 233 TYR HE1 H 6.094 0.005 1 2421 233 233 TYR HE2 H 6.094 0.005 1 2422 233 233 TYR C C 173.948 0.005 1 2423 233 233 TYR CA C 57.227 0.005 1 2424 233 233 TYR CB C 44.865 0.005 1 2425 233 233 TYR CD1 C 132.709 0.005 1 2426 233 233 TYR CD2 C 132.709 0.005 1 2427 233 233 TYR CE1 C 117.929 0.005 1 2428 233 233 TYR CE2 C 117.929 0.005 1 2429 233 233 TYR N N 126.532 0.02 1 2430 234 234 ARG H H 7.328 0.005 1 2431 234 234 ARG HA H 5.739 0.005 1 2432 234 234 ARG C C 175.423 0.005 1 2433 234 234 ARG CA C 52.049 0.005 1 2434 234 234 ARG CB C 35.737 0.005 1 2435 234 234 ARG N N 119.953 0.02 1 2436 235 235 PHE H H 7.840 0.005 1 2437 235 235 PHE HA H 4.798 0.005 1 2438 235 235 PHE HB2 H 2.614 0.005 1 2439 235 235 PHE HB3 H 2.614 0.005 1 2440 235 235 PHE HD1 H 7.155 0.005 1 2441 235 235 PHE HD2 H 7.155 0.005 1 2442 235 235 PHE C C 176.964 0.005 1 2443 235 235 PHE CA C 57.567 0.005 1 2444 235 235 PHE CB C 43.211 0.005 1 2445 235 235 PHE CD1 C 131.793 0.005 1 2446 235 235 PHE CD2 C 131.793 0.005 1 2447 235 235 PHE N N 112.566 0.02 1 2448 236 236 GLY H H 9.220 0.005 1 2449 236 236 GLY HA2 H 3.351 0.005 2 2450 236 236 GLY HA3 H 4.596 0.005 2 2451 236 236 GLY C C 172.028 0.005 1 2452 236 236 GLY CA C 47.661 0.005 1 2453 236 236 GLY N N 111.830 0.02 1 2454 237 237 ALA H H 7.700 0.005 1 2455 237 237 ALA HA H 4.727 0.005 1 2456 237 237 ALA HB H 1.479 0.005 1 2457 237 237 ALA CA C 51.804 0.005 1 2458 237 237 ALA CB C 24.714 0.005 1 2459 237 237 ALA N N 127.901 0.02 1 2460 240 240 LEU HA H 4.196 0.005 1 2461 240 240 LEU HB2 H 1.820 0.005 1 2462 240 240 LEU HB3 H 1.820 0.005 1 2463 240 240 LEU HG H 1.247 0.005 1 2464 240 240 LEU HD1 H 0.439 0.005 2 2465 240 240 LEU HD2 H 0.237 0.005 2 2466 240 240 LEU C C 177.530 0.005 1 2467 240 240 LEU CA C 56.491 0.005 1 2468 240 240 LEU CB C 43.531 0.005 1 2469 240 240 LEU CG C 26.605 0.005 1 2470 240 240 LEU CD1 C 23.441 0.005 2 2471 240 240 LEU CD2 C 24.540 0.005 2 2472 241 241 LEU H H 7.705 0.005 1 2473 241 241 LEU HA H 3.816 0.005 1 2474 241 241 LEU HB2 H 1.988 0.005 2 2475 241 241 LEU HB3 H 1.409 0.005 2 2476 241 241 LEU HG H 1.656 0.005 1 2477 241 241 LEU HD1 H 0.993 0.005 1 2478 241 241 LEU HD2 H 0.993 0.005 1 2479 241 241 LEU C C 177.515 0.005 1 2480 241 241 LEU CA C 59.013 0.005 1 2481 241 241 LEU CB C 41.578 0.005 1 2482 241 241 LEU CG C 27.014 0.005 1 2483 241 241 LEU CD1 C 23.970 0.005 1 2484 241 241 LEU CD2 C 23.970 0.005 1 2485 241 241 LEU N N 117.417 0.02 1 2486 242 242 ALA H H 7.699 0.005 1 2487 242 242 ALA HA H 4.135 0.005 1 2488 242 242 ALA HB H 1.444 0.005 1 2489 242 242 ALA C C 181.055 0.005 1 2490 242 242 ALA CA C 55.314 0.005 1 2491 242 242 ALA CB C 18.250 0.005 1 2492 242 242 ALA N N 118.729 0.02 1 2493 243 243 SER H H 7.256 0.005 1 2494 243 243 SER HA H 4.312 0.005 1 2495 243 243 SER HB2 H 4.067 0.005 1 2496 243 243 SER HB3 H 4.067 0.005 1 2497 243 243 SER C C 178.153 0.005 1 2498 243 243 SER CA C 61.374 0.005 1 2499 243 243 SER CB C 63.383 0.005 1 2500 243 243 SER N N 113.723 0.02 1 2501 244 244 LEU H H 8.546 0.005 1 2502 244 244 LEU HA H 4.041 0.005 1 2503 244 244 LEU HB2 H 2.053 0.005 1 2504 244 244 LEU HB3 H 2.053 0.005 1 2505 244 244 LEU HD1 H 0.660 0.005 2 2506 244 244 LEU HD2 H 0.737 0.005 2 2507 244 244 LEU C C 178.655 0.005 1 2508 244 244 LEU CA C 57.930 0.005 1 2509 244 244 LEU CB C 40.816 0.005 1 2510 244 244 LEU CD1 C 21.828 0.005 2 2511 244 244 LEU CD2 C 26.078 0.005 2 2512 244 244 LEU N N 120.955 0.02 1 2513 245 245 LEU H H 8.472 0.005 1 2514 245 245 LEU HA H 3.980 0.005 1 2515 245 245 LEU HB2 H 1.887 0.005 2 2516 245 245 LEU HB3 H 1.506 0.005 2 2517 245 245 LEU HG H 1.759 0.005 1 2518 245 245 LEU HD1 H 0.757 0.005 2 2519 245 245 LEU HD2 H 0.944 0.005 2 2520 245 245 LEU C C 179.750 0.005 1 2521 245 245 LEU CA C 58.358 0.005 1 2522 245 245 LEU CB C 40.708 0.005 1 2523 245 245 LEU CG C 27.394 0.005 1 2524 245 245 LEU CD1 C 22.926 0.005 2 2525 245 245 LEU CD2 C 25.878 0.005 2 2526 245 245 LEU N N 116.476 0.02 1 2527 246 246 LYS H H 7.917 0.005 1 2528 246 246 LYS HA H 4.070 0.005 1 2529 246 246 LYS HB2 H 2.051 0.005 2 2530 246 246 LYS HB3 H 1.851 0.005 2 2531 246 246 LYS HG2 H 1.654 0.005 1 2532 246 246 LYS HG3 H 1.654 0.005 1 2533 246 246 LYS HD2 H 1.459 0.005 1 2534 246 246 LYS HD3 H 1.459 0.005 1 2535 246 246 LYS HE2 H 3.001 0.005 1 2536 246 246 LYS HE3 H 3.001 0.005 1 2537 246 246 LYS C C 180.569 0.005 1 2538 246 246 LYS CA C 59.612 0.005 1 2539 246 246 LYS CB C 32.227 0.005 1 2540 246 246 LYS CG C 24.928 0.005 1 2541 246 246 LYS CD C 29.230 0.005 1 2542 246 246 LYS CE C 42.392 0.005 1 2543 246 246 LYS N N 120.746 0.02 1 2544 247 247 ALA H H 7.801 0.005 1 2545 247 247 ALA HA H 4.122 0.005 1 2546 247 247 ALA HB H 1.459 0.005 1 2547 247 247 ALA C C 178.909 0.005 1 2548 247 247 ALA CA C 54.913 0.005 1 2549 247 247 ALA CB C 17.536 0.005 1 2550 247 247 ALA N N 123.671 0.02 1 2551 248 248 LEU H H 7.502 0.005 1 2552 248 248 LEU HA H 4.320 0.005 1 2553 248 248 LEU HB2 H 1.984 0.005 2 2554 248 248 LEU HB3 H 1.854 0.005 2 2555 248 248 LEU HD1 H 0.735 0.005 1 2556 248 248 LEU HD2 H 0.735 0.005 1 2557 248 248 LEU C C 176.612 0.005 1 2558 248 248 LEU CA C 54.793 0.005 1 2559 248 248 LEU CB C 42.955 0.005 1 2560 248 248 LEU CG C 26.052 0.005 1 2561 248 248 LEU CD1 C 23.786 0.005 1 2562 248 248 LEU CD2 C 23.786 0.005 1 2563 248 248 LEU N N 115.523 0.02 1 2564 249 249 GLY H H 7.859 0.005 1 2565 249 249 GLY HA2 H 4.100 0.005 2 2566 249 249 GLY HA3 H 3.796 0.005 2 2567 249 249 GLY C C 174.204 0.005 1 2568 249 249 GLY CA C 45.650 0.005 1 2569 249 249 GLY N N 107.636 0.02 1 2570 250 250 HIS H H 8.481 0.005 1 2571 250 250 HIS HA H 4.691 0.005 1 2572 250 250 HIS HB2 H 3.159 0.005 2 2573 250 250 HIS HB3 H 2.650 0.005 2 2574 250 250 HIS HD2 H 6.621 0.005 1 2575 250 250 HIS HE1 H 7.757 0.005 1 2576 250 250 HIS C C 175.089 0.005 1 2577 250 250 HIS CA C 56.004 0.005 1 2578 250 250 HIS CB C 32.650 0.005 1 2579 250 250 HIS CD2 C 119.280 0.005 1 2580 250 250 HIS CE1 C 138.770 0.005 1 2581 250 250 HIS N N 120.797 0.02 1 2582 251 251 GLY H H 8.439 0.005 1 2583 251 251 GLY HA2 H 4.000 0.005 1 2584 251 251 GLY HA3 H 4.000 0.005 1 2585 251 251 GLY C C 173.341 0.005 1 2586 251 251 GLY CA C 45.299 0.005 1 2587 251 251 GLY N N 109.808 0.02 1 2588 252 252 ASP H H 8.195 0.005 1 2589 252 252 ASP HA H 4.652 0.005 1 2590 252 252 ASP HB2 H 2.879 0.005 2 2591 252 252 ASP HB3 H 2.666 0.005 2 2592 252 252 ASP C C 177.875 0.005 1 2593 252 252 ASP CA C 53.652 0.005 1 2594 252 252 ASP CB C 41.547 0.005 1 2595 252 252 ASP N N 117.695 0.02 1 2596 253 253 GLY H H 8.789 0.005 1 2597 253 253 GLY HA2 H 4.030 0.005 2 2598 253 253 GLY HA3 H 3.754 0.005 2 2599 253 253 GLY C C 174.030 0.005 1 2600 253 253 GLY CA C 45.669 0.005 1 2601 253 253 GLY N N 109.247 0.02 1 2602 254 254 LYS H H 8.225 0.005 1 2603 254 254 LYS HA H 4.378 0.005 1 2604 254 254 LYS HB2 H 1.804 0.005 1 2605 254 254 LYS HB3 H 1.804 0.005 1 2606 254 254 LYS HG2 H 1.329 0.005 2 2607 254 254 LYS HG3 H 1.364 0.005 2 2608 254 254 LYS HD2 H 1.653 0.005 1 2609 254 254 LYS HD3 H 1.653 0.005 1 2610 254 254 LYS HE2 H 2.968 0.005 1 2611 254 254 LYS HE3 H 2.968 0.005 1 2612 254 254 LYS C C 176.509 0.005 1 2613 254 254 LYS CA C 56.481 0.005 1 2614 254 254 LYS CB C 33.128 0.005 1 2615 254 254 LYS CG C 24.909 0.005 1 2616 254 254 LYS CD C 28.995 0.005 1 2617 254 254 LYS CE C 42.225 0.005 1 2618 254 254 LYS N N 121.274 0.02 1 2619 255 255 SER H H 8.452 0.005 1 2620 255 255 SER HA H 4.505 0.005 1 2621 255 255 SER HB2 H 3.802 0.005 2 2622 255 255 SER HB3 H 3.926 0.005 2 2623 255 255 SER C C 174.300 0.005 1 2624 255 255 SER CA C 57.996 0.005 1 2625 255 255 SER CB C 64.329 0.005 1 2626 255 255 SER N N 116.768 0.02 1 2627 256 256 ALA H H 8.552 0.005 1 2628 256 256 ALA HA H 4.415 0.005 1 2629 256 256 ALA HB H 1.409 0.005 1 2630 256 256 ALA C C 177.590 0.005 1 2631 256 256 ALA CA C 52.550 0.005 1 2632 256 256 ALA CB C 19.215 0.005 1 2633 256 256 ALA N N 127.060 0.02 1 2634 257 257 SER H H 8.194 0.005 1 2635 257 257 SER HA H 4.506 0.005 1 2636 257 257 SER HB2 H 3.855 0.005 1 2637 257 257 SER HB3 H 3.855 0.005 1 2638 257 257 SER C C 174.590 0.005 1 2639 257 257 SER CA C 58.124 0.005 1 2640 257 257 SER CB C 63.997 0.005 1 2641 257 257 SER N N 114.232 0.02 1 2642 258 258 SER H H 8.385 0.005 1 2643 258 258 SER HA H 4.472 0.005 1 2644 258 258 SER HB2 H 3.890 0.005 1 2645 258 258 SER HB3 H 3.890 0.005 1 2646 258 258 SER C C 173.171 0.005 1 2647 258 258 SER CA C 58.578 0.005 1 2648 258 258 SER CB C 63.965 0.005 1 2649 258 258 SER N N 118.770 0.02 1 2650 259 259 TYR H H 7.792 0.005 1 2651 259 259 TYR HA H 4.413 0.005 1 2652 259 259 TYR HB2 H 2.966 0.005 1 2653 259 259 TYR HB3 H 2.966 0.005 1 2654 259 259 TYR HD1 H 7.122 0.005 1 2655 259 259 TYR HD2 H 7.122 0.005 1 2656 259 259 TYR HE1 H 6.745 0.005 1 2657 259 259 TYR HE2 H 6.745 0.005 1 2658 259 259 TYR CA C 59.569 0.005 1 2659 259 259 TYR CB C 39.686 0.005 1 2660 259 259 TYR CD1 C 133.189 0.005 1 2661 259 259 TYR CD2 C 133.189 0.005 1 2662 259 259 TYR CE1 C 118.006 0.005 1 2663 259 259 TYR CE2 C 118.006 0.005 1 2664 259 259 TYR N N 127.355 0.02 1 stop_ save_