data_17081 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Mouse Prion Protein (121-231) with mutation Y169G ; _BMRB_accession_number 17081 _BMRB_flat_file_name bmr17081.str _Entry_type original _Submission_date 2010-07-28 _Accession_date 2010-07-28 _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 Christen Barbara . . 2 Damberger Fred F. . 3 Perez Daniel R. . 4 Hornemann Simone . . 5 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 687 "13C chemical shifts" 480 "15N chemical shifts" 135 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-09 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 17082 'Prion Protein with 175A mutation' 17084 'Prion Protein' 17087 'Prion Protein with Y169A, Y225A, Y226A mutation' stop_ _Original_release_date 2012-03-09 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Cellular prion protein conformation and function.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21987789 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Damberger Fred F. . 2 Christen Barbara . . 3 Perez Daniel R. . 4 Hornemann Simone . . 5 Wuthrich Kurt . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 108 _Journal_issue 42 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 17308 _Page_last 17313 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Prion with Y169G mutation' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label prion $prion stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_prion _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Prion with Y169G mutation' _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 114 _Mol_residue_sequence ; GSVVGGLGGYMLGSAMSRPM IHFGNDWEDRYYRENMYRYP NQVYYRPVDQGSNQNNFVHD CVNITIKQHTVTTTTKGENF TETDVKMMERVVEQMCVTQY QKESQAYYDGRRSS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 119 GLY 2 120 SER 3 121 VAL 4 122 VAL 5 123 GLY 6 124 GLY 7 125 LEU 8 126 GLY 9 127 GLY 10 128 TYR 11 129 MET 12 130 LEU 13 131 GLY 14 132 SER 15 133 ALA 16 134 MET 17 135 SER 18 136 ARG 19 137 PRO 20 138 MET 21 139 ILE 22 140 HIS 23 141 PHE 24 142 GLY 25 143 ASN 26 144 ASP 27 145 TRP 28 146 GLU 29 147 ASP 30 148 ARG 31 149 TYR 32 150 TYR 33 151 ARG 34 152 GLU 35 153 ASN 36 154 MET 37 155 TYR 38 156 ARG 39 157 TYR 40 158 PRO 41 159 ASN 42 160 GLN 43 161 VAL 44 162 TYR 45 163 TYR 46 164 ARG 47 165 PRO 48 166 VAL 49 167 ASP 50 168 GLN 51 169 GLY 52 170 SER 53 171 ASN 54 172 GLN 55 173 ASN 56 174 ASN 57 175 PHE 58 176 VAL 59 177 HIS 60 178 ASP 61 179 CYS 62 180 VAL 63 181 ASN 64 182 ILE 65 183 THR 66 184 ILE 67 185 LYS 68 186 GLN 69 187 HIS 70 188 THR 71 189 VAL 72 190 THR 73 191 THR 74 192 THR 75 193 THR 76 194 LYS 77 195 GLY 78 196 GLU 79 197 ASN 80 198 PHE 81 199 THR 82 200 GLU 83 201 THR 84 202 ASP 85 203 VAL 86 204 LYS 87 205 MET 88 206 MET 89 207 GLU 90 208 ARG 91 209 VAL 92 210 VAL 93 211 GLU 94 212 GLN 95 213 MET 96 214 CYS 97 215 VAL 98 216 THR 99 217 GLN 100 218 TYR 101 219 GLN 102 220 LYS 103 221 GLU 104 222 SER 105 223 GLN 106 224 ALA 107 225 TYR 108 226 TYR 109 227 ASP 110 228 GLY 111 229 ARG 112 230 ARG 113 231 SER 114 232 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 BMRB 15845 Prion_Protein 100.00 114 98.25 99.12 8.16e-77 BMRB 16071 mPrP90 99.12 144 98.23 99.12 1.82e-76 BMRB 16075 mPrP90_M129V 99.12 141 97.35 99.12 6.81e-76 BMRB 16076 mPrP90_P102L 99.12 141 98.23 99.12 9.99e-77 BMRB 16077 mPrP90_P105L 99.12 141 98.23 99.12 9.99e-77 BMRB 16078 mPrP90_A117V 99.12 142 98.23 99.12 2.05e-76 BMRB 16079 mPrP90_3AV 99.12 142 98.23 99.12 3.17e-76 BMRB 16080 mPrP90_2II 99.12 142 98.23 99.12 1.96e-76 BMRB 16184 mpp_121-231 100.00 114 97.37 97.37 1.31e-75 BMRB 16185 mpp_121-231 100.00 114 98.25 98.25 5.57e-77 BMRB 16722 "mouse prion protein double mutant D167S, N173K" 99.12 113 98.23 98.23 6.72e-76 BMRB 16723 "mouse prion protein double mutant D167S, N173K" 99.12 113 97.35 97.35 4.07e-75 BMRB 17082 mPrP121-231_F175A 100.00 114 98.25 98.25 2.35e-76 BMRB 17084 prion 100.00 114 99.12 99.12 1.59e-77 BMRB 17087 "Prion with Y169A, Y225A, Y226A mutation" 100.00 114 97.37 97.37 1.42e-76 BMRB 17174 Mouse_prion 100.00 114 99.12 99.12 1.59e-77 BMRB 17213 entity 100.00 114 99.12 99.12 2.43e-78 BMRB 17758 mPrP(121-232) 100.00 114 99.12 99.12 1.59e-77 BMRB 17759 mPrP(121-232) 100.00 114 97.37 97.37 1.06e-74 PDB 1AG2 "Prion Protein Domain Prp(121-231) From Mouse, Nmr, 2 Minimized Average Structure" 89.47 103 99.02 99.02 1.58e-68 PDB 1XYX "Mouse Prion Protein Fragment 121-231" 98.25 112 99.11 99.11 4.95e-76 PDB 1Y15 "Mouse Prion Protein With Mutation N174t" 98.25 112 98.21 98.21 3.86e-75 PDB 1Y16 "Mouse Prion Protein With Mutations S170n And N174t" 98.25 112 97.32 98.21 1.65e-74 PDB 2K5O "Mouse Prion Protein (121-231) With Mutation S170n" 100.00 114 98.25 99.12 8.16e-77 PDB 2KFM "Mouse Prion Protein (121-231) With Mutations Y225a And Y226a" 100.00 114 97.37 97.37 1.31e-75 PDB 2KFO "Mouse Prion Protein (121-231) With Mutation V166a" 100.00 114 98.25 98.25 5.57e-77 PDB 2KU5 "Mouse Prion Protein (121-231) With Mutation D167s" 99.12 113 98.23 98.23 6.72e-76 PDB 2KU6 "Mouse Prion Protein (121-231) With Mutations D167s And N173k" 99.12 113 97.35 97.35 4.07e-75 PDB 2L1D "Mouse Prion Protein (121-231) Containing The Substitution Y169g" 100.00 114 100.00 100.00 7.89e-79 PDB 2L1E "Mouse Prion Protein (121-231) Containing The Substitution F175a" 100.00 114 98.25 98.25 2.35e-76 PDB 2L1H "Mouse Prion Protein Fragment 121-231 At 20 C" 100.00 114 99.12 99.12 1.59e-77 PDB 2L1K "Mouse Prion Protein (121-231) Containing The Substitutions Y169a, Y225a, And Y226a" 100.00 114 97.37 97.37 1.42e-76 PDB 2L39 "Mouse Prion Protein Fragment 121-231 At 37 C" 100.00 114 99.12 99.12 1.59e-77 PDB 2L40 "Mouse Prion Protein (121-231) Containing The Substitution Y169a" 100.00 114 99.12 99.12 2.43e-78 PDB 4H88 "Structure Of Pom1 Fab Fragment Complexed With Mouse Prpc Fragment 120- 230" 97.37 111 98.20 98.20 1.41e-74 PDB 4MA7 "Crystal Structure Of Mouse Prion Protein Complexed With Promazine" 98.25 114 98.21 99.11 6.02e-76 PDB 4MA8 "Crystal Structure Of Mouse Prion Protein Complexed With Chlorpromazine" 98.25 114 98.21 99.11 6.02e-76 DBJ BAA08790 "prion protein [Rattus norvegicus]" 100.00 254 97.37 99.12 2.10e-75 DBJ BAE28320 "unnamed protein product [Mus musculus]" 100.00 254 97.37 99.12 1.55e-75 DBJ BAE28693 "unnamed protein product [Mus musculus]" 100.00 254 97.37 98.25 4.35e-75 DBJ BAE29994 "unnamed protein product [Mus musculus]" 100.00 254 97.37 98.25 5.46e-75 DBJ BAE34221 "unnamed protein product [Mus musculus]" 100.00 254 98.25 99.12 9.10e-76 EMBL CAJ18553 "Prnp [Mus musculus]" 100.00 254 98.25 99.12 7.48e-76 GB AAA39996 "prion protein [Mus musculus]" 100.00 254 97.37 99.12 4.07e-75 GB AAA39997 "prion protein [Mus musculus]" 100.00 254 98.25 99.12 7.48e-76 GB AAA39998 "prion protein [Mus musculus]" 100.00 254 97.37 98.25 5.58e-75 GB AAA41947 "prion-related protein, partial [Rattus norvegicus]" 100.00 226 97.37 99.12 7.27e-76 GB AAB30728 "prion protein [Rattus norvegicus]" 100.00 254 97.37 99.12 2.10e-75 REF NP_001265185 "major prion protein precursor [Mus musculus]" 100.00 254 98.25 99.12 7.48e-76 REF NP_035300 "major prion protein precursor [Mus musculus]" 100.00 254 98.25 99.12 7.48e-76 REF NP_036763 "major prion protein precursor [Rattus norvegicus]" 100.00 254 97.37 99.12 2.10e-75 REF XP_006235124 "PREDICTED: major prion protein isoform X1 [Rattus norvegicus]" 100.00 254 97.37 99.12 2.10e-75 SP P04925 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 100.00 254 98.25 99.12 7.48e-76 SP P13852 "RecName: Full=Major prion protein; Short=PrP; AltName: CD_antigen=CD230; Flags: Precursor" 100.00 254 97.37 99.12 2.10e-75 SP Q9Z0T3 "RecName: Full=Major prion protein; Short=PrP; AltName: CD_antigen=CD230; Flags: Precursor" 100.00 254 97.37 99.12 2.97e-75 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $prion Mouse 10090 Eukaryota Metazoa Mus musculus 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 $prion 'recombinant technology' . Escherichia coli . pRSETA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $prion 1.9 mM '[U-99% 13C; U-99% 15N]' 'sodium acetate' 10 mM [U-2H] 'sodium azide' 0.02 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_ATNOS-CANDID _Saveframe_category software _Name ATHNOS-CANDID _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Herrmann, Guntert and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_DYANA _Saveframe_category software _Name DYANA _Version 1.0.3 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_OPALP _Saveframe_category software _Name OPALP _Version . loop_ _Vendor _Address _Electronic_address 'Luginbuhl, Guntert, Billeter and Wuthrich' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 750 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.01 . M pH 4.5 . pH pressure 1 . atm temperature 293.2 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0 internal indirect cylindrical 'insert at outer edge of experimental sample tube' parallel 0.251449530 $citations $citations DSS H 1 'methyl protons' ppm 0 external direct cylindrical 'insert at outer edge of experimental sample tube' parallel 1.0000 $citations $citations DSS N 15 'methyl protons' ppm 0 internal indirect cylindrical 'insert at outer edge of experimental sample tube' parallel 0.101329118 $citations $citations stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name prion _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 1 119 1 GLY HA2 H 3.920 0.020 1 2 119 1 GLY HA3 H 3.920 0.020 1 3 119 1 GLY C C 167.403 0.3 1 4 119 1 GLY CA C 42.909 0.3 1 5 120 2 SER H H 8.686 0.020 1 6 120 2 SER HA H 4.613 0.020 1 7 120 2 SER HB2 H 3.844 0.020 1 8 120 2 SER HB3 H 3.844 0.020 1 9 120 2 SER C C 171.624 0.3 1 10 120 2 SER CA C 57.547 0.3 1 11 120 2 SER CB C 63.686 0.3 1 12 120 2 SER N N 115.698 0.3 1 13 121 3 VAL H H 8.420 0.020 1 14 121 3 VAL HA H 4.195 0.020 1 15 121 3 VAL HB H 2.061 0.020 1 16 121 3 VAL HG1 H 0.927 0.020 2 17 121 3 VAL HG2 H 0.893 0.020 2 18 121 3 VAL C C 173.658 0.3 1 19 121 3 VAL CA C 61.875 0.3 1 20 121 3 VAL CB C 32.324 0.3 1 21 121 3 VAL CG1 C 20.177 0.3 1 22 121 3 VAL CG2 C 20.728 0.3 1 23 121 3 VAL N N 122.291 0.3 1 24 122 4 VAL H H 8.355 0.020 1 25 122 4 VAL HA H 4.103 0.020 1 26 122 4 VAL HB H 2.036 0.020 1 27 122 4 VAL HG1 H 0.927 0.020 2 28 122 4 VAL HG2 H 0.920 0.020 2 29 122 4 VAL C C 174.018 0.3 1 30 122 4 VAL CA C 62.051 0.3 1 31 122 4 VAL CB C 32.188 0.3 1 32 122 4 VAL CG1 C 20.727 0.3 1 33 122 4 VAL CG2 C 20.723 0.3 1 34 122 4 VAL N N 125.171 0.3 1 35 123 5 GLY H H 8.625 0.020 1 36 123 5 GLY HA2 H 3.961 0.020 1 37 123 5 GLY HA3 H 3.961 0.020 1 38 123 5 GLY C C 172.044 0.3 1 39 123 5 GLY CA C 44.920 0.3 1 40 123 5 GLY N N 113.649 0.3 1 41 124 6 GLY H H 8.342 0.020 1 42 124 6 GLY HA2 H 3.964 0.020 1 43 124 6 GLY HA3 H 3.964 0.020 1 44 124 6 GLY C C 171.739 0.3 1 45 124 6 GLY CA C 44.976 0.3 1 46 124 6 GLY N N 108.765 0.3 1 47 125 7 LEU H H 8.257 0.020 1 48 125 7 LEU HA H 4.393 0.020 1 49 125 7 LEU HB2 H 1.514 0.020 2 50 125 7 LEU HB3 H 1.625 0.020 2 51 125 7 LEU HD1 H 0.653 0.020 2 52 125 7 LEU HD2 H 0.517 0.020 2 53 125 7 LEU HG H 1.477 0.020 1 54 125 7 LEU C C 175.304 0.3 1 55 125 7 LEU CA C 54.244 0.3 1 56 125 7 LEU CB C 42.073 0.3 1 57 125 7 LEU CD1 C 24.229 0.3 1 58 125 7 LEU CD2 C 23.061 0.3 1 59 125 7 LEU CG C 26.458 0.3 1 60 125 7 LEU N N 121.826 0.3 1 61 126 8 GLY H H 8.572 0.020 1 62 126 8 GLY HA2 H 3.852 0.020 1 63 126 8 GLY C C 172.297 0.3 1 64 126 8 GLY CA C 46.037 0.3 1 65 126 8 GLY N N 110.113 0.3 1 66 127 9 GLY H H 8.457 0.020 1 67 127 9 GLY HA2 H 3.727 0.020 1 68 127 9 GLY C C 171.179 0.3 1 69 127 9 GLY CA C 44.648 0.3 1 70 127 9 GLY N N 109.683 0.3 1 71 128 10 TYR H H 7.715 0.020 1 72 128 10 TYR HA H 4.523 0.020 1 73 128 10 TYR HB2 H 2.875 0.020 2 74 128 10 TYR HB3 H 2.774 0.020 2 75 128 10 TYR HD1 H 6.781 0.020 1 76 128 10 TYR HD2 H 6.781 0.020 1 77 128 10 TYR HE1 H 6.682 0.020 1 78 128 10 TYR HE2 H 6.682 0.020 1 79 128 10 TYR C C 172.948 0.3 1 80 128 10 TYR CA C 57.627 0.3 1 81 128 10 TYR CB C 39.936 0.3 1 82 128 10 TYR CD1 C 132.321 0.3 1 83 128 10 TYR CE1 C 118.034 0.3 1 84 128 10 TYR N N 117.491 0.3 1 85 129 11 MET H H 9.036 0.020 1 86 129 11 MET HA H 4.577 0.020 1 87 129 11 MET HB2 H 0.925 0.020 2 88 129 11 MET HB3 H 1.596 0.020 2 89 129 11 MET HE H 2.040 0.020 1 90 129 11 MET HG2 H 2.246 0.020 2 91 129 11 MET HG3 H 2.214 0.020 2 92 129 11 MET C C 170.338 0.3 1 93 129 11 MET CA C 53.003 0.3 1 94 129 11 MET CB C 34.333 0.3 1 95 129 11 MET CE C 16.797 0.3 1 96 129 11 MET CG C 31.790 0.3 1 97 129 11 MET N N 120.640 0.3 1 98 130 12 LEU H H 8.128 0.020 1 99 130 12 LEU HA H 4.457 0.020 1 100 130 12 LEU HB2 H 0.949 0.020 2 101 130 12 LEU HB3 H 1.619 0.020 2 102 130 12 LEU HD1 H -0.066 0.020 2 103 130 12 LEU HD2 H 0.627 0.020 2 104 130 12 LEU HG H 1.391 0.020 1 105 130 12 LEU C C 175.495 0.3 1 106 130 12 LEU CA C 52.928 0.3 1 107 130 12 LEU CB C 43.038 0.3 1 108 130 12 LEU CD1 C 20.975 0.3 1 109 130 12 LEU CD2 C 25.418 0.3 1 110 130 12 LEU CG C 25.508 0.3 1 111 130 12 LEU N N 121.274 0.3 1 112 131 13 GLY H H 9.396 0.020 1 113 131 13 GLY HA2 H 4.087 0.020 1 114 131 13 GLY C C 170.109 0.3 1 115 131 13 GLY CA C 44.477 0.3 1 116 131 13 GLY N N 115.327 0.3 1 117 132 14 SER H H 8.355 0.020 1 118 132 14 SER HA H 4.405 0.020 1 119 132 14 SER HB2 H 3.916 0.020 2 120 132 14 SER HB3 H 3.990 0.020 2 121 132 14 SER C C 172.337 0.3 1 122 132 14 SER CA C 58.063 0.3 1 123 132 14 SER CB C 63.543 0.3 1 124 132 14 SER N N 113.618 0.3 1 125 133 15 ALA H H 8.774 0.020 1 126 133 15 ALA HA H 4.428 0.020 1 127 133 15 ALA HB H 1.270 0.020 1 128 133 15 ALA C C 174.896 0.3 1 129 133 15 ALA CA C 52.524 0.3 1 130 133 15 ALA CB C 17.972 0.3 1 131 133 15 ALA N N 125.446 0.3 1 132 134 16 MET H H 8.844 0.020 1 133 134 16 MET HA H 4.751 0.020 1 134 134 16 MET HB2 H 2.054 0.020 2 135 134 16 MET HB3 H 1.999 0.020 2 136 134 16 MET HE H 2.217 0.020 1 137 134 16 MET HG2 H 2.544 0.020 2 138 134 16 MET HG3 H 2.453 0.020 2 139 134 16 MET C C 172.961 0.3 1 140 134 16 MET CA C 53.445 0.3 1 141 134 16 MET CB C 36.459 0.3 1 142 134 16 MET CE C 17.498 0.3 1 143 134 16 MET CG C 31.072 0.3 1 144 134 16 MET N N 121.551 0.3 1 145 135 17 SER H H 8.469 0.020 1 146 135 17 SER HA H 4.338 0.020 1 147 135 17 SER HB2 H 3.843 0.020 2 148 135 17 SER HB3 H 3.754 0.020 2 149 135 17 SER C C 171.815 0.3 1 150 135 17 SER CA C 58.264 0.3 1 151 135 17 SER CB C 62.615 0.3 1 152 135 17 SER N N 116.110 0.3 1 153 136 18 ARG H H 8.708 0.020 1 154 136 18 ARG HA H 4.388 0.020 1 155 136 18 ARG HB2 H 1.860 0.020 2 156 136 18 ARG HB3 H 1.801 0.020 2 157 136 18 ARG HD2 H 3.071 0.020 2 158 136 18 ARG HD3 H 2.953 0.020 2 159 136 18 ARG HE H 6.861 0.020 1 160 136 18 ARG HG2 H 1.697 0.020 2 161 136 18 ARG HG3 H 1.617 0.020 2 162 136 18 ARG C C 172.083 0.3 1 163 136 18 ARG CA C 54.443 0.3 1 164 136 18 ARG CB C 28.433 0.3 1 165 136 18 ARG CD C 43.449 0.3 1 166 136 18 ARG CG C 28.926 0.3 1 167 136 18 ARG N N 126.555 0.3 1 168 136 18 ARG NE N 85.699 0.3 1 169 137 19 PRO HA H 4.425 0.020 1 170 137 19 PRO HB2 H 1.780 0.020 2 171 137 19 PRO HB3 H 2.248 0.020 2 172 137 19 PRO HD2 H 3.661 0.020 2 173 137 19 PRO HD3 H 3.929 0.020 2 174 137 19 PRO HG2 H 2.046 0.020 2 175 137 19 PRO HG3 H 2.040 0.020 2 176 137 19 PRO C C 173.127 0.3 1 177 137 19 PRO CA C 61.848 0.3 1 178 137 19 PRO CB C 31.878 0.3 1 179 137 19 PRO CD C 50.204 0.3 1 180 137 19 PRO CG C 26.934 0.3 1 181 138 20 MET H H 8.774 0.020 1 182 138 20 MET HA H 4.879 0.020 1 183 138 20 MET HB2 H 2.024 0.020 2 184 138 20 MET HB3 H 2.005 0.020 2 185 138 20 MET HE H 2.136 0.020 1 186 138 20 MET HG2 H 2.697 0.020 2 187 138 20 MET HG3 H 2.334 0.020 2 188 138 20 MET C C 172.401 0.3 1 189 138 20 MET CA C 53.573 0.3 1 190 138 20 MET CB C 29.797 0.3 1 191 138 20 MET CE C 16.030 0.3 1 192 138 20 MET CG C 31.431 0.3 1 193 138 20 MET N N 122.117 0.3 1 194 139 21 ILE H H 6.567 0.020 1 195 139 21 ILE HA H 3.829 0.020 1 196 139 21 ILE HB H 0.785 0.020 1 197 139 21 ILE HD1 H 0.444 0.020 1 198 139 21 ILE HG12 H 0.898 0.020 2 199 139 21 ILE HG13 H 0.740 0.020 2 200 139 21 ILE HG2 H -0.109 0.020 1 201 139 21 ILE C C 170.724 0.3 1 202 139 21 ILE CA C 59.045 0.3 1 203 139 21 ILE CB C 38.498 0.3 1 204 139 21 ILE CD1 C 12.067 0.3 1 205 139 21 ILE CG1 C 26.195 0.3 1 206 139 21 ILE CG2 C 16.772 0.3 1 207 139 21 ILE N N 124.730 0.3 1 208 140 22 HIS H H 8.238 0.020 1 209 140 22 HIS HA H 4.924 0.020 1 210 140 22 HIS HB2 H 3.303 0.020 2 211 140 22 HIS HB3 H 2.951 0.020 2 212 140 22 HIS HD2 H 7.224 0.020 1 213 140 22 HIS HE1 H 8.579 0.020 1 214 140 22 HIS C C 172.045 0.3 1 215 140 22 HIS CA C 53.597 0.3 1 216 140 22 HIS CB C 29.103 0.3 1 217 140 22 HIS CD2 C 119.546 0.3 1 218 140 22 HIS CE1 C 136.082 0.3 1 219 140 22 HIS N N 121.909 0.3 1 220 141 23 PHE H H 10.453 0.020 1 221 141 23 PHE HA H 4.272 0.020 1 222 141 23 PHE HB2 H 2.792 0.020 2 223 141 23 PHE HB3 H 3.313 0.020 2 224 141 23 PHE HD1 H 7.303 0.020 1 225 141 23 PHE HD2 H 7.303 0.020 1 226 141 23 PHE HE1 H 6.898 0.020 1 227 141 23 PHE HE2 H 6.898 0.020 1 228 141 23 PHE HZ H 6.756 0.020 1 229 141 23 PHE C C 174.300 0.3 1 230 141 23 PHE CA C 59.208 0.3 1 231 141 23 PHE CB C 40.467 0.3 1 232 141 23 PHE CD1 C 131.689 0.3 1 233 141 23 PHE CE1 C 130.763 0.3 1 234 141 23 PHE CZ C 128.738 0.3 1 235 141 23 PHE N N 124.702 0.3 1 236 142 24 GLY H H 9.048 0.020 1 237 142 24 GLY HA2 H 3.758 0.020 1 238 142 24 GLY C C 170.630 0.3 1 239 142 24 GLY CA C 45.251 0.3 1 240 142 24 GLY N N 109.080 0.3 1 241 143 25 ASN H H 7.226 0.020 1 242 143 25 ASN HA H 4.892 0.020 1 243 143 25 ASN HB2 H 2.722 0.020 2 244 143 25 ASN HB3 H 2.694 0.020 2 245 143 25 ASN HD21 H 7.593 0.020 1 246 143 25 ASN HD22 H 7.503 0.020 1 247 143 25 ASN C C 171.790 0.3 1 248 143 25 ASN CA C 52.072 0.3 1 249 143 25 ASN CB C 41.136 0.3 1 250 143 25 ASN N N 114.319 0.3 1 251 143 25 ASN ND2 N 116.153 0.3 1 252 144 26 ASP H H 9.053 0.020 1 253 144 26 ASP HA H 4.441 0.020 1 254 144 26 ASP HB2 H 2.779 0.020 1 255 144 26 ASP HB3 H 2.779 0.020 1 256 144 26 ASP C C 175.287 0.3 1 257 144 26 ASP CA C 57.412 0.3 1 258 144 26 ASP CB C 40.626 0.3 1 259 144 26 ASP N N 123.341 0.3 1 260 145 27 TRP H H 8.556 0.020 1 261 145 27 TRP HA H 4.241 0.020 1 262 145 27 TRP HB2 H 3.419 0.020 1 263 145 27 TRP HB3 H 3.419 0.020 1 264 145 27 TRP HD1 H 7.339 0.020 1 265 145 27 TRP HE1 H 10.248 0.020 1 266 145 27 TRP HE3 H 7.358 0.020 1 267 145 27 TRP HH2 H 6.898 0.020 1 268 145 27 TRP HZ2 H 7.436 0.020 1 269 145 27 TRP HZ3 H 6.723 0.020 1 270 145 27 TRP C C 176.541 0.3 1 271 145 27 TRP CA C 61.413 0.3 1 272 145 27 TRP CB C 27.925 0.3 1 273 145 27 TRP CD1 C 127.253 0.3 1 274 145 27 TRP CE3 C 120.256 0.3 1 275 145 27 TRP CH2 C 124.602 0.3 1 276 145 27 TRP CZ2 C 114.294 0.3 1 277 145 27 TRP CZ3 C 120.924 0.3 1 278 145 27 TRP N N 120.599 0.3 1 279 145 27 TRP NE1 N 129.592 0.3 1 280 146 28 GLU H H 8.217 0.020 1 281 146 28 GLU HA H 3.459 0.020 1 282 146 28 GLU HB2 H 1.851 0.020 2 283 146 28 GLU HB3 H 1.276 0.020 2 284 146 28 GLU HG2 H 2.143 0.020 2 285 146 28 GLU HG3 H 1.596 0.020 2 286 146 28 GLU C C 175.020 0.3 1 287 146 28 GLU CA C 59.431 0.3 1 288 146 28 GLU CB C 29.149 0.3 1 289 146 28 GLU CG C 36.897 0.3 1 290 146 28 GLU N N 120.410 0.3 1 291 147 29 ASP H H 7.964 0.020 1 292 147 29 ASP HA H 4.677 0.020 1 293 147 29 ASP HB2 H 2.838 0.020 2 294 147 29 ASP HB3 H 2.933 0.020 2 295 147 29 ASP C C 176.424 0.3 1 296 147 29 ASP CA C 58.106 0.3 1 297 147 29 ASP CB C 40.023 0.3 1 298 147 29 ASP N N 119.086 0.3 1 299 148 30 ARG H H 8.048 0.020 1 300 148 30 ARG HA H 3.974 0.020 1 301 148 30 ARG HB2 H 1.869 0.020 1 302 148 30 ARG HB3 H 1.869 0.020 1 303 148 30 ARG HD2 H 3.203 0.020 2 304 148 30 ARG HD3 H 3.187 0.020 2 305 148 30 ARG HE H 7.463 0.020 1 306 148 30 ARG HG2 H 1.718 0.020 2 307 148 30 ARG HG3 H 1.485 0.020 2 308 148 30 ARG C C 174.913 0.3 1 309 148 30 ARG CA C 59.143 0.3 1 310 148 30 ARG CB C 29.417 0.3 1 311 148 30 ARG CD C 43.144 0.3 1 312 148 30 ARG CG C 27.308 0.3 1 313 148 30 ARG N N 120.034 0.3 1 314 148 30 ARG NE N 85.223 0.3 1 315 149 31 TYR H H 8.274 0.020 1 316 149 31 TYR HA H 3.744 0.020 1 317 149 31 TYR HB2 H 2.684 0.020 2 318 149 31 TYR HB3 H 2.311 0.020 2 319 149 31 TYR HD1 H 6.876 0.020 1 320 149 31 TYR HD2 H 6.876 0.020 1 321 149 31 TYR HE1 H 6.885 0.020 1 322 149 31 TYR HE2 H 6.885 0.020 1 323 149 31 TYR C C 176.900 0.3 1 324 149 31 TYR CA C 61.739 0.3 1 325 149 31 TYR CB C 37.772 0.3 1 326 149 31 TYR CD1 C 133.265 0.3 1 327 149 31 TYR CE1 C 117.586 0.3 1 328 149 31 TYR N N 120.932 0.3 1 329 150 32 TYR H H 9.007 0.020 1 330 150 32 TYR HA H 4.093 0.020 1 331 150 32 TYR HB2 H 3.570 0.020 2 332 150 32 TYR HB3 H 3.215 0.020 2 333 150 32 TYR HD1 H 7.491 0.020 1 334 150 32 TYR HD2 H 7.491 0.020 1 335 150 32 TYR HE1 H 7.026 0.020 1 336 150 32 TYR HE2 H 7.026 0.020 1 337 150 32 TYR C C 174.285 0.3 1 338 150 32 TYR CA C 62.712 0.3 1 339 150 32 TYR CB C 37.988 0.3 1 340 150 32 TYR CD1 C 133.164 0.3 1 341 150 32 TYR CE1 C 118.051 0.3 1 342 150 32 TYR N N 120.393 0.3 1 343 151 33 ARG H H 7.903 0.020 1 344 151 33 ARG HA H 3.869 0.020 1 345 151 33 ARG HB2 H 1.963 0.020 2 346 151 33 ARG HB3 H 2.035 0.020 2 347 151 33 ARG HD2 H 3.363 0.020 2 348 151 33 ARG HD3 H 3.282 0.020 2 349 151 33 ARG HE H 7.491 0.020 1 350 151 33 ARG HG2 H 1.997 0.020 2 351 151 33 ARG HG3 H 1.756 0.020 2 352 151 33 ARG C C 176.386 0.3 1 353 151 33 ARG CA C 59.599 0.3 1 354 151 33 ARG CB C 29.455 0.3 1 355 151 33 ARG CD C 43.150 0.3 1 356 151 33 ARG CG C 28.012 0.3 1 357 151 33 ARG N N 117.290 0.3 1 358 151 33 ARG NE N 84.819 0.3 1 359 152 34 GLU H H 7.880 0.020 1 360 152 34 GLU HA H 4.103 0.020 1 361 152 34 GLU HB2 H 1.869 0.020 1 362 152 34 GLU HB3 H 1.869 0.020 1 363 152 34 GLU HG2 H 2.455 0.020 2 364 152 34 GLU HG3 H 2.242 0.020 2 365 152 34 GLU C C 174.859 0.3 1 366 152 34 GLU CA C 57.325 0.3 1 367 152 34 GLU CB C 29.420 0.3 1 368 152 34 GLU CG C 35.593 0.3 1 369 152 34 GLU N N 115.453 0.3 1 370 153 35 ASN H H 7.564 0.020 1 371 153 35 ASN HA H 4.507 0.020 1 372 153 35 ASN HB2 H 2.240 0.020 2 373 153 35 ASN HB3 H 2.143 0.020 2 374 153 35 ASN HD21 H 6.761 0.020 1 375 153 35 ASN HD22 H 6.533 0.020 1 376 153 35 ASN C C 172.844 0.3 1 377 153 35 ASN CA C 54.433 0.3 1 378 153 35 ASN CB C 40.775 0.3 1 379 153 35 ASN N N 115.304 0.3 1 380 153 35 ASN ND2 N 116.779 0.3 1 381 154 36 MET H H 7.850 0.020 1 382 154 36 MET HA H 3.481 0.020 1 383 154 36 MET HB2 H 1.586 0.020 2 384 154 36 MET HB3 H 1.265 0.020 2 385 154 36 MET HE H 1.931 0.020 1 386 154 36 MET HG2 H 2.292 0.020 2 387 154 36 MET HG3 H 1.793 0.020 2 388 154 36 MET C C 173.738 0.3 1 389 154 36 MET CA C 58.751 0.3 1 390 154 36 MET CB C 30.177 0.3 1 391 154 36 MET CE C 16.913 0.3 1 392 154 36 MET CG C 29.818 0.3 1 393 154 36 MET N N 118.308 0.3 1 394 155 37 TYR H H 7.604 0.020 1 395 155 37 TYR HA H 4.142 0.020 1 396 155 37 TYR HB2 H 2.945 0.020 2 397 155 37 TYR HB3 H 3.006 0.020 2 398 155 37 TYR HD1 H 7.073 0.020 1 399 155 37 TYR HD2 H 7.073 0.020 1 400 155 37 TYR HE1 H 6.884 0.020 1 401 155 37 TYR HE2 H 6.884 0.020 1 402 155 37 TYR C C 173.216 0.3 1 403 155 37 TYR CA C 58.927 0.3 1 404 155 37 TYR CB C 35.803 0.3 1 405 155 37 TYR CD1 C 132.935 0.3 1 406 155 37 TYR CE1 C 118.216 0.3 1 407 155 37 TYR N N 116.256 0.3 1 408 156 38 ARG H H 7.526 0.020 1 409 156 38 ARG HA H 4.023 0.020 1 410 156 38 ARG HB2 H 1.318 0.020 2 411 156 38 ARG HB3 H 1.975 0.020 2 412 156 38 ARG HD2 H 3.202 0.020 2 413 156 38 ARG HD3 H 3.075 0.020 2 414 156 38 ARG HE H 7.321 0.020 1 415 156 38 ARG HG2 H 1.270 0.020 2 416 156 38 ARG HG3 H 0.604 0.020 2 417 156 38 ARG HH21 H 6.453 0.020 1 418 156 38 ARG C C 174.018 0.3 1 419 156 38 ARG CA C 55.969 0.3 1 420 156 38 ARG CB C 30.284 0.3 1 421 156 38 ARG CD C 43.965 0.3 1 422 156 38 ARG CG C 26.986 0.3 1 423 156 38 ARG N N 118.595 0.3 1 424 156 38 ARG NE N 84.627 0.3 1 425 157 39 TYR H H 7.349 0.020 1 426 157 39 TYR HA H 5.043 0.020 1 427 157 39 TYR HB2 H 3.122 0.020 2 428 157 39 TYR HB3 H 3.082 0.020 2 429 157 39 TYR HD1 H 6.920 0.020 1 430 157 39 TYR HD2 H 6.920 0.020 1 431 157 39 TYR HE1 H 6.520 0.020 1 432 157 39 TYR HE2 H 6.520 0.020 1 433 157 39 TYR C C 170.256 0.3 1 434 157 39 TYR CA C 52.439 0.3 1 435 157 39 TYR CB C 34.805 0.3 1 436 157 39 TYR CD1 C 131.012 0.3 1 437 157 39 TYR CE1 C 116.985 0.3 1 438 157 39 TYR N N 120.600 0.3 1 439 158 40 PRO HA H 4.468 0.020 1 440 158 40 PRO HB2 H 1.735 0.020 2 441 158 40 PRO HB3 H 2.459 0.020 2 442 158 40 PRO HD2 H 3.184 0.020 2 443 158 40 PRO HD3 H 3.397 0.020 2 444 158 40 PRO HG2 H 1.584 0.020 2 445 158 40 PRO HG3 H 1.378 0.020 2 446 158 40 PRO C C 172.044 0.3 1 447 158 40 PRO CA C 63.092 0.3 1 448 158 40 PRO CB C 31.989 0.3 1 449 158 40 PRO CD C 49.661 0.3 1 450 158 40 PRO CG C 26.874 0.3 1 451 159 41 ASN H H 8.456 0.020 1 452 159 41 ASN HA H 4.732 0.020 1 453 159 41 ASN HB2 H 3.757 0.020 2 454 159 41 ASN HB3 H 2.395 0.020 2 455 159 41 ASN HD21 H 7.519 0.020 1 456 159 41 ASN HD22 H 6.823 0.020 1 457 159 41 ASN C C 170.364 0.3 1 458 159 41 ASN CA C 51.273 0.3 1 459 159 41 ASN CB C 37.704 0.3 1 460 159 41 ASN N N 115.601 0.3 1 461 159 41 ASN ND2 N 109.046 0.3 1 462 160 42 GLN H H 7.252 0.020 1 463 160 42 GLN HA H 4.594 0.020 1 464 160 42 GLN HB2 H 1.974 0.020 2 465 160 42 GLN HB3 H 1.706 0.020 2 466 160 42 GLN HE21 H 7.959 0.020 1 467 160 42 GLN HE22 H 7.045 0.020 1 468 160 42 GLN HG2 H 2.169 0.020 2 469 160 42 GLN HG3 H 2.033 0.020 2 470 160 42 GLN C C 172.431 0.3 1 471 160 42 GLN CA C 53.739 0.3 1 472 160 42 GLN CB C 33.220 0.3 1 473 160 42 GLN CG C 33.753 0.3 1 474 160 42 GLN N N 113.685 0.3 1 475 160 42 GLN NE2 N 112.872 0.3 1 476 161 43 VAL H H 8.558 0.020 1 477 161 43 VAL HA H 4.935 0.020 1 478 161 43 VAL HB H 2.653 0.020 1 479 161 43 VAL HG1 H 0.981 0.020 2 480 161 43 VAL HG2 H 0.772 0.020 2 481 161 43 VAL C C 171.509 0.3 1 482 161 43 VAL CA C 58.297 0.3 1 483 161 43 VAL CB C 33.616 0.3 1 484 161 43 VAL CG1 C 23.220 0.3 1 485 161 43 VAL CG2 C 17.789 0.3 1 486 161 43 VAL N N 112.912 0.3 1 487 162 44 TYR H H 8.473 0.020 1 488 162 44 TYR HA H 5.528 0.020 1 489 162 44 TYR HB2 H 2.621 0.020 2 490 162 44 TYR HB3 H 2.526 0.020 2 491 162 44 TYR HD1 H 6.890 0.020 1 492 162 44 TYR HD2 H 6.890 0.020 1 493 162 44 TYR HE1 H 6.762 0.020 1 494 162 44 TYR HE2 H 6.762 0.020 1 495 162 44 TYR C C 171.981 0.3 1 496 162 44 TYR CA C 56.545 0.3 1 497 162 44 TYR CB C 41.452 0.3 1 498 162 44 TYR CD1 C 132.612 0.3 1 499 162 44 TYR CE1 C 118.140 0.3 1 500 162 44 TYR N N 121.465 0.3 1 501 163 45 TYR H H 8.600 0.020 1 502 163 45 TYR HA H 4.700 0.020 1 503 163 45 TYR HB2 H 2.593 0.020 2 504 163 45 TYR HB3 H 2.581 0.020 2 505 163 45 TYR HD1 H 6.938 0.020 1 506 163 45 TYR HD2 H 6.938 0.020 1 507 163 45 TYR HE1 H 6.474 0.020 1 508 163 45 TYR HE2 H 6.474 0.020 1 509 163 45 TYR C C 170.339 0.3 1 510 163 45 TYR CA C 55.346 0.3 1 511 163 45 TYR CB C 40.393 0.3 1 512 163 45 TYR CD1 C 133.555 0.3 1 513 163 45 TYR CE1 C 117.260 0.3 1 514 163 45 TYR N N 110.787 0.3 1 515 164 46 ARG H H 8.070 0.020 1 516 164 46 ARG HA H 4.651 0.020 1 517 164 46 ARG HB2 H 1.489 0.020 2 518 164 46 ARG HB3 H 1.612 0.020 2 519 164 46 ARG HD2 H 2.854 0.020 2 520 164 46 ARG HD3 H 2.929 0.020 2 521 164 46 ARG HE H 7.004 0.020 1 522 164 46 ARG HG2 H 1.226 0.020 2 523 164 46 ARG HG3 H 1.109 0.020 2 524 164 46 ARG C C 171.443 0.3 1 525 164 46 ARG CA C 52.272 0.3 1 526 164 46 ARG CB C 30.242 0.3 1 527 164 46 ARG CD C 42.984 0.3 1 528 164 46 ARG CG C 26.731 0.3 1 529 164 46 ARG N N 121.269 0.3 1 530 164 46 ARG NE N 85.094 0.3 1 531 165 47 PRO HA H 4.592 0.020 1 532 165 47 PRO HB2 H 1.888 0.020 2 533 165 47 PRO HB3 H 2.493 0.020 2 534 165 47 PRO HD2 H 3.657 0.020 2 535 165 47 PRO HD3 H 3.555 0.020 2 536 165 47 PRO HG2 H 2.081 0.020 2 537 165 47 PRO HG3 H 1.959 0.020 2 538 165 47 PRO C C 174.605 0.3 1 539 165 47 PRO CA C 62.672 0.3 1 540 165 47 PRO CB C 32.061 0.3 1 541 165 47 PRO CD C 50.304 0.3 1 542 165 47 PRO CG C 27.476 0.3 1 543 166 48 VAL H H 8.465 0.020 1 544 166 48 VAL HA H 4.150 0.020 1 545 166 48 VAL HB H 1.871 0.020 1 546 166 48 VAL HG1 H 0.719 0.020 2 547 166 48 VAL HG2 H 0.861 0.020 2 548 166 48 VAL C C 172.541 0.3 1 549 166 48 VAL CA C 62.152 0.3 1 550 166 48 VAL CB C 32.430 0.3 1 551 166 48 VAL CG1 C 21.684 0.3 1 552 166 48 VAL CG2 C 22.389 0.3 1 553 166 48 VAL N N 120.698 0.3 1 554 167 49 ASP H H 8.530 0.020 1 555 167 49 ASP HA H 4.262 0.020 1 556 167 49 ASP HB2 H 2.988 0.020 2 557 167 49 ASP HB3 H 2.654 0.020 2 558 167 49 ASP C C 173.992 0.3 1 559 167 49 ASP CA C 51.979 0.3 1 560 167 49 ASP CB C 41.832 0.3 1 561 167 49 ASP N N 123.910 0.3 1 562 168 50 GLN H H 8.529 0.020 1 563 168 50 GLN HA H 4.115 0.020 1 564 168 50 GLN HB2 H 2.200 0.020 2 565 168 50 GLN HB3 H 2.193 0.020 2 566 168 50 GLN HE21 H 7.645 0.020 1 567 168 50 GLN HE22 H 6.939 0.020 1 568 168 50 GLN HG2 H 2.465 0.020 2 569 168 50 GLN HG3 H 2.512 0.020 2 570 168 50 GLN C C 174.068 0.3 1 571 168 50 GLN CA C 57.842 0.3 1 572 168 50 GLN CB C 27.929 0.3 1 573 168 50 GLN CG C 33.115 0.3 1 574 168 50 GLN N N 118.297 0.3 1 575 168 50 GLN NE2 N 112.368 0.3 1 576 169 51 GLY H H 8.666 0.020 1 577 169 51 GLY HA2 H 3.831 0.020 1 578 169 51 GLY C C 172.719 0.3 1 579 169 51 GLY CA C 44.580 0.3 1 580 169 51 GLY N N 108.097 0.3 1 581 170 52 SER H H 7.792 0.020 1 582 170 52 SER HA H 4.717 0.020 1 583 170 52 SER HB2 H 4.143 0.020 2 584 170 52 SER HB3 H 4.048 0.020 2 585 170 52 SER C C 170.695 0.3 1 586 170 52 SER CA C 59.353 0.3 1 587 170 52 SER CB C 63.543 0.3 1 588 170 52 SER N N 117.464 0.3 1 589 171 53 ASN H H 8.607 0.020 1 590 171 53 ASN HA H 4.890 0.020 1 591 171 53 ASN HB2 H 2.939 0.020 2 592 171 53 ASN HB3 H 2.951 0.020 2 593 171 53 ASN HD21 H 7.726 0.020 1 594 171 53 ASN HD22 H 6.755 0.020 1 595 171 53 ASN C C 171.293 0.3 1 596 171 53 ASN CA C 51.674 0.3 1 597 171 53 ASN CB C 40.331 0.3 1 598 171 53 ASN N N 119.092 0.3 1 599 171 53 ASN ND2 N 114.537 0.3 1 600 172 54 GLN H H 8.752 0.020 1 601 172 54 GLN HA H 2.443 0.020 1 602 172 54 GLN HB2 H 1.800 0.020 2 603 172 54 GLN HB3 H 1.666 0.020 2 604 172 54 GLN HE21 H 7.498 0.020 1 605 172 54 GLN HE22 H 6.957 0.020 1 606 172 54 GLN HG2 H 2.050 0.020 2 607 172 54 GLN HG3 H 1.541 0.020 2 608 172 54 GLN C C 174.107 0.3 1 609 172 54 GLN CA C 59.572 0.3 1 610 172 54 GLN CB C 28.640 0.3 1 611 172 54 GLN CG C 33.613 0.3 1 612 172 54 GLN N N 121.618 0.3 1 613 172 54 GLN NE2 N 112.304 0.3 1 614 173 55 ASN H H 8.393 0.020 1 615 173 55 ASN HA H 4.306 0.020 1 616 173 55 ASN HB2 H 2.718 0.020 2 617 173 55 ASN HB3 H 2.781 0.020 2 618 173 55 ASN HD21 H 7.638 0.020 1 619 173 55 ASN HD22 H 7.001 0.020 1 620 173 55 ASN C C 175.486 0.3 1 621 173 55 ASN CA C 56.157 0.3 1 622 173 55 ASN CB C 37.689 0.3 1 623 173 55 ASN N N 116.013 0.3 1 624 173 55 ASN ND2 N 113.034 0.3 1 625 174 56 ASN H H 8.650 0.020 1 626 174 56 ASN HA H 4.528 0.020 1 627 174 56 ASN HB2 H 2.977 0.020 2 628 174 56 ASN HB3 H 2.953 0.020 2 629 174 56 ASN HD21 H 7.782 0.020 1 630 174 56 ASN HD22 H 7.039 0.020 1 631 174 56 ASN C C 174.934 0.3 1 632 174 56 ASN CA C 55.478 0.3 1 633 174 56 ASN CB C 37.254 0.3 1 634 174 56 ASN N N 118.955 0.3 1 635 174 56 ASN ND2 N 112.084 0.3 1 636 175 57 PHE H H 8.443 0.020 1 637 175 57 PHE HA H 4.455 0.020 1 638 175 57 PHE HB2 H 3.258 0.020 2 639 175 57 PHE HB3 H 3.146 0.020 2 640 175 57 PHE HD1 H 7.367 0.020 1 641 175 57 PHE HD2 H 7.367 0.020 1 642 175 57 PHE HE1 H 7.729 0.020 1 643 175 57 PHE HE2 H 7.729 0.020 1 644 175 57 PHE HZ H 6.679 0.020 1 645 175 57 PHE C C 176.335 0.3 1 646 175 57 PHE CA C 60.865 0.3 1 647 175 57 PHE CB C 39.643 0.3 1 648 175 57 PHE CD1 C 132.975 0.3 1 649 175 57 PHE CE1 C 131.700 0.3 1 650 175 57 PHE CZ C 128.926 0.3 1 651 175 57 PHE N N 122.281 0.3 1 652 176 58 VAL H H 9.189 0.020 1 653 176 58 VAL HA H 3.635 0.020 1 654 176 58 VAL HB H 2.342 0.020 1 655 176 58 VAL HG1 H 1.066 0.020 2 656 176 58 VAL HG2 H 1.157 0.020 2 657 176 58 VAL C C 174.311 0.3 1 658 176 58 VAL CA C 67.485 0.3 1 659 176 58 VAL CB C 31.371 0.3 1 660 176 58 VAL CG1 C 21.318 0.3 1 661 176 58 VAL CG2 C 24.469 0.3 1 662 176 58 VAL N N 120.405 0.3 1 663 177 59 HIS H H 8.251 0.020 1 664 177 59 HIS HA H 4.335 0.020 1 665 177 59 HIS HB2 H 3.414 0.020 2 666 177 59 HIS HB3 H 3.361 0.020 2 667 177 59 HIS HD2 H 7.401 0.020 1 668 177 59 HIS HE1 H 8.626 0.020 1 669 177 59 HIS C C 174.425 0.3 1 670 177 59 HIS CA C 59.204 0.3 1 671 177 59 HIS CB C 27.791 0.3 1 672 177 59 HIS CD2 C 119.948 0.3 1 673 177 59 HIS CE1 C 136.102 0.3 1 674 177 59 HIS N N 117.199 0.3 1 675 178 60 ASP H H 7.836 0.020 1 676 178 60 ASP HA H 4.483 0.020 1 677 178 60 ASP HB2 H 2.915 0.020 2 678 178 60 ASP HB3 H 2.847 0.020 2 679 178 60 ASP C C 173.244 0.3 1 680 178 60 ASP CA C 56.938 0.3 1 681 178 60 ASP CB C 41.046 0.3 1 682 178 60 ASP N N 118.684 0.3 1 683 179 61 CYS H H 8.292 0.020 1 684 179 61 CYS HA H 4.778 0.020 1 685 179 61 CYS HB2 H 3.399 0.020 2 686 179 61 CYS HB3 H 3.001 0.020 2 687 179 61 CYS C C 174.654 0.3 1 688 179 61 CYS CA C 58.050 0.3 1 689 179 61 CYS CB C 40.573 0.3 1 690 179 61 CYS N N 119.407 0.3 1 691 180 62 VAL H H 9.289 0.020 1 692 180 62 VAL HA H 3.662 0.020 1 693 180 62 VAL HB H 2.186 0.020 1 694 180 62 VAL HG1 H 0.989 0.020 2 695 180 62 VAL HG2 H 1.114 0.020 2 696 180 62 VAL C C 174.565 0.3 1 697 180 62 VAL CA C 65.853 0.3 1 698 180 62 VAL CB C 31.585 0.3 1 699 180 62 VAL CG1 C 21.318 0.3 1 700 180 62 VAL CG2 C 23.347 0.3 1 701 180 62 VAL N N 124.954 0.3 1 702 181 63 ASN H H 7.651 0.020 1 703 181 63 ASN HA H 4.324 0.020 1 704 181 63 ASN HB2 H 2.849 0.020 2 705 181 63 ASN HB3 H 2.789 0.020 2 706 181 63 ASN HD21 H 7.674 0.020 1 707 181 63 ASN HD22 H 6.829 0.020 1 708 181 63 ASN C C 175.826 0.3 1 709 181 63 ASN CA C 56.236 0.3 1 710 181 63 ASN CB C 38.443 0.3 1 711 181 63 ASN N N 116.022 0.3 1 712 181 63 ASN ND2 N 112.222 0.3 1 713 182 64 ILE H H 8.573 0.020 1 714 182 64 ILE HA H 3.814 0.020 1 715 182 64 ILE HB H 1.552 0.020 1 716 182 64 ILE HD1 H 0.374 0.020 1 717 182 64 ILE HG12 H 0.776 0.020 1 718 182 64 ILE HG13 H 0.776 0.020 1 719 182 64 ILE HG2 H 0.325 0.020 1 720 182 64 ILE C C 174.973 0.3 1 721 182 64 ILE CA C 61.400 0.3 1 722 182 64 ILE CB C 36.145 0.3 1 723 182 64 ILE CD1 C 10.961 0.3 1 724 182 64 ILE CG1 C 27.117 0.3 1 725 182 64 ILE CG2 C 18.217 0.3 1 726 182 64 ILE N N 118.329 0.3 1 727 183 65 THR H H 8.167 0.020 1 728 183 65 THR HA H 4.078 0.020 1 729 183 65 THR HB H 4.496 0.020 1 730 183 65 THR HG1 H 6.400 0.020 1 731 183 65 THR HG2 H 1.509 0.020 1 732 183 65 THR C C 174.973 0.3 1 733 183 65 THR CA C 68.319 0.3 1 734 183 65 THR CB C 67.800 0.3 1 735 183 65 THR CG2 C 21.887 0.3 1 736 183 65 THR N N 118.699 0.3 1 737 184 66 ILE H H 8.525 0.020 1 738 184 66 ILE HA H 3.740 0.020 1 739 184 66 ILE HB H 2.122 0.020 1 740 184 66 ILE HD1 H 0.798 0.020 1 741 184 66 ILE HG12 H 1.831 0.020 2 742 184 66 ILE HG13 H 1.265 0.020 2 743 184 66 ILE HG2 H 0.905 0.020 1 744 184 66 ILE C C 176.322 0.3 1 745 184 66 ILE CA C 65.177 0.3 1 746 184 66 ILE CB C 36.202 0.3 1 747 184 66 ILE CD1 C 12.414 0.3 1 748 184 66 ILE CG1 C 29.316 0.3 1 749 184 66 ILE CG2 C 16.420 0.3 1 750 184 66 ILE N N 120.882 0.3 1 751 185 67 LYS H H 8.015 0.020 1 752 185 67 LYS HA H 4.062 0.020 1 753 185 67 LYS HB2 H 1.950 0.020 2 754 185 67 LYS HB3 H 1.871 0.020 2 755 185 67 LYS HD2 H 1.603 0.020 1 756 185 67 LYS HD3 H 1.603 0.020 1 757 185 67 LYS HE2 H 2.913 0.020 1 758 185 67 LYS HE3 H 2.913 0.020 1 759 185 67 LYS HG2 H 1.499 0.020 2 760 185 67 LYS HG3 H 1.386 0.020 2 761 185 67 LYS C C 176.450 0.3 1 762 185 67 LYS CA C 59.601 0.3 1 763 185 67 LYS CB C 31.867 0.3 1 764 185 67 LYS CD C 28.757 0.3 1 765 185 67 LYS CE C 41.571 0.3 1 766 185 67 LYS CG C 24.677 0.3 1 767 185 67 LYS N N 122.748 0.3 1 768 186 68 GLN H H 8.366 0.020 1 769 186 68 GLN HA H 4.040 0.020 1 770 186 68 GLN HB2 H 2.013 0.020 2 771 186 68 GLN HB3 H 1.904 0.020 2 772 186 68 GLN HE21 H 6.781 0.020 1 773 186 68 GLN HE22 H 6.741 0.020 1 774 186 68 GLN HG2 H 2.095 0.020 2 775 186 68 GLN HG3 H 1.549 0.020 2 776 186 68 GLN C C 175.329 0.3 1 777 186 68 GLN CA C 57.195 0.3 1 778 186 68 GLN CB C 27.858 0.3 1 779 186 68 GLN CG C 33.134 0.3 1 780 186 68 GLN N N 116.233 0.3 1 781 186 68 GLN NE2 N 110.136 0.3 1 782 187 69 HIS H H 8.110 0.020 1 783 187 69 HIS HA H 4.610 0.020 1 784 187 69 HIS HB2 H 3.345 0.020 2 785 187 69 HIS HB3 H 3.319 0.020 2 786 187 69 HIS HD2 H 7.284 0.020 1 787 187 69 HIS HE1 H 8.164 0.020 1 788 187 69 HIS C C 173.980 0.3 1 789 187 69 HIS CA C 58.255 0.3 1 790 187 69 HIS CB C 29.717 0.3 1 791 187 69 HIS CD2 C 118.686 0.3 1 792 187 69 HIS CE1 C 137.716 0.3 1 793 187 69 HIS N N 117.919 0.3 1 794 188 70 THR H H 8.223 0.020 1 795 188 70 THR HA H 4.224 0.020 1 796 188 70 THR HB H 4.428 0.020 1 797 188 70 THR HG2 H 1.256 0.020 1 798 188 70 THR C C 173.076 0.3 1 799 188 70 THR CA C 64.538 0.3 1 800 188 70 THR CB C 68.857 0.3 1 801 188 70 THR CG2 C 21.116 0.3 1 802 188 70 THR N N 114.122 0.3 1 803 189 71 VAL H H 8.001 0.020 1 804 189 71 VAL HA H 4.019 0.020 1 805 189 71 VAL HB H 2.215 0.020 1 806 189 71 VAL HG1 H 0.961 0.020 2 807 189 71 VAL HG2 H 1.026 0.020 2 808 189 71 VAL C C 175.024 0.3 1 809 189 71 VAL CA C 64.384 0.3 1 810 189 71 VAL CB C 31.698 0.3 1 811 189 71 VAL CG1 C 20.677 0.3 1 812 189 71 VAL CG2 C 21.083 0.3 1 813 189 71 VAL N N 122.059 0.3 1 814 190 72 THR H H 8.109 0.020 1 815 190 72 THR HA H 4.254 0.020 1 816 190 72 THR HB H 4.280 0.020 1 817 190 72 THR HG2 H 1.270 0.020 1 818 190 72 THR C C 173.190 0.3 1 819 190 72 THR CA C 63.403 0.3 1 820 190 72 THR CB C 68.898 0.3 1 821 190 72 THR CG2 C 21.282 0.3 1 822 190 72 THR N N 115.376 0.3 1 823 191 73 THR H H 8.039 0.020 1 824 191 73 THR HA H 4.237 0.020 1 825 191 73 THR HB H 4.186 0.020 1 826 191 73 THR HG2 H 1.038 0.020 1 827 191 73 THR C C 173.381 0.3 1 828 191 73 THR CA C 63.334 0.3 1 829 191 73 THR CB C 68.749 0.3 1 830 191 73 THR CG2 C 21.110 0.3 1 831 191 73 THR N N 115.011 0.3 1 832 192 74 THR H H 8.210 0.020 1 833 192 74 THR HA H 4.389 0.020 1 834 192 74 THR HB H 4.374 0.020 1 835 192 74 THR HG2 H 1.288 0.020 1 836 192 74 THR C C 173.929 0.3 1 837 192 74 THR CA C 63.509 0.3 1 838 192 74 THR CB C 68.878 0.3 1 839 192 74 THR CG2 C 21.143 0.3 1 840 192 74 THR N N 116.570 0.3 1 841 193 75 THR H H 8.004 0.020 1 842 193 75 THR HA H 4.251 0.020 1 843 193 75 THR HB H 4.288 0.020 1 844 193 75 THR HG2 H 1.272 0.020 1 845 193 75 THR C C 172.377 0.3 1 846 193 75 THR CA C 63.346 0.3 1 847 193 75 THR CB C 68.918 0.3 1 848 193 75 THR CG2 C 21.318 0.3 1 849 193 75 THR N N 116.277 0.3 1 850 194 76 LYS H H 7.924 0.020 1 851 194 76 LYS HA H 4.349 0.020 1 852 194 76 LYS HB2 H 1.945 0.020 2 853 194 76 LYS HB3 H 1.829 0.020 2 854 194 76 LYS HD2 H 1.676 0.020 1 855 194 76 LYS HD3 H 1.676 0.020 1 856 194 76 LYS HE2 H 2.979 0.020 1 857 194 76 LYS HE3 H 2.979 0.020 1 858 194 76 LYS HG2 H 1.511 0.020 2 859 194 76 LYS HG3 H 1.453 0.020 2 860 194 76 LYS C C 174.245 0.3 1 861 194 76 LYS CA C 56.164 0.3 1 862 194 76 LYS CB C 32.164 0.3 1 863 194 76 LYS CD C 28.694 0.3 1 864 194 76 LYS CE C 41.653 0.3 1 865 194 76 LYS CG C 24.445 0.3 1 866 194 76 LYS N N 121.275 0.3 1 867 195 77 GLY H H 8.164 0.020 1 868 195 77 GLY HA2 H 3.873 0.020 1 869 195 77 GLY C C 171.563 0.3 1 870 195 77 GLY CA C 45.040 0.3 1 871 195 77 GLY N N 109.131 0.3 1 872 196 78 GLU H H 7.806 0.020 1 873 196 78 GLU HA H 4.263 0.020 1 874 196 78 GLU HB2 H 1.724 0.020 1 875 196 78 GLU HB3 H 1.724 0.020 1 876 196 78 GLU HG2 H 2.114 0.020 2 877 196 78 GLU HG3 H 2.139 0.020 2 878 196 78 GLU C C 172.668 0.3 1 879 196 78 GLU CA C 55.400 0.3 1 880 196 78 GLU CB C 30.160 0.3 1 881 196 78 GLU CG C 35.137 0.3 1 882 196 78 GLU N N 120.047 0.3 1 883 197 79 ASN H H 8.530 0.020 1 884 197 79 ASN HA H 4.676 0.020 1 885 197 79 ASN HB2 H 2.730 0.020 2 886 197 79 ASN HB3 H 2.652 0.020 2 887 197 79 ASN HD21 H 7.590 0.020 1 888 197 79 ASN HD22 H 6.873 0.020 1 889 197 79 ASN C C 171.433 0.3 1 890 197 79 ASN CA C 52.500 0.3 1 891 197 79 ASN CB C 39.538 0.3 1 892 197 79 ASN N N 119.935 0.3 1 893 197 79 ASN ND2 N 113.180 0.3 1 894 198 80 PHE H H 8.666 0.020 1 895 198 80 PHE HA H 5.270 0.020 1 896 198 80 PHE HB2 H 3.012 0.020 2 897 198 80 PHE HB3 H 3.200 0.020 2 898 198 80 PHE HD1 H 7.367 0.020 1 899 198 80 PHE HD2 H 7.367 0.020 1 900 198 80 PHE HE1 H 7.460 0.020 1 901 198 80 PHE HE2 H 7.460 0.020 1 902 198 80 PHE C C 174.120 0.3 1 903 198 80 PHE CA C 56.375 0.3 1 904 198 80 PHE CB C 39.587 0.3 1 905 198 80 PHE CD1 C 131.130 0.3 1 906 198 80 PHE CE1 C 129.647 0.3 1 907 198 80 PHE N N 122.205 0.3 1 908 199 81 THR H H 9.508 0.020 1 909 199 81 THR HA H 4.633 0.020 1 910 199 81 THR HB H 4.861 0.020 1 911 199 81 THR HG2 H 1.456 0.020 1 912 199 81 THR C C 172.808 0.3 1 913 199 81 THR CA C 60.226 0.3 1 914 199 81 THR CB C 71.695 0.3 1 915 199 81 THR CG2 C 21.348 0.3 1 916 199 81 THR N N 116.369 0.3 1 917 200 82 GLU H H 9.159 0.020 1 918 200 82 GLU HA H 4.101 0.020 1 919 200 82 GLU HB2 H 2.147 0.020 2 920 200 82 GLU HB3 H 2.091 0.020 2 921 200 82 GLU HG2 H 2.446 0.020 2 922 200 82 GLU HG3 H 2.384 0.020 2 923 200 82 GLU C C 176.487 0.3 1 924 200 82 GLU CA C 59.376 0.3 1 925 200 82 GLU CB C 28.354 0.3 1 926 200 82 GLU CG C 35.265 0.3 1 927 200 82 GLU N N 119.904 0.3 1 928 201 83 THR H H 7.983 0.020 1 929 201 83 THR HA H 3.827 0.020 1 930 201 83 THR HB H 3.773 0.020 1 931 201 83 THR HG2 H 0.772 0.020 1 932 201 83 THR C C 173.050 0.3 1 933 201 83 THR CA C 66.454 0.3 1 934 201 83 THR CB C 68.270 0.3 1 935 201 83 THR CG2 C 21.004 0.3 1 936 201 83 THR N N 116.467 0.3 1 937 202 84 ASP H H 7.516 0.020 1 938 202 84 ASP HA H 4.568 0.020 1 939 202 84 ASP HB2 H 3.265 0.020 2 940 202 84 ASP HB3 H 2.502 0.020 2 941 202 84 ASP C C 174.896 0.3 1 942 202 84 ASP CA C 57.592 0.3 1 943 202 84 ASP CB C 40.919 0.3 1 944 202 84 ASP N N 120.223 0.3 1 945 203 85 VAL H H 8.254 0.020 1 946 203 85 VAL HA H 3.366 0.020 1 947 203 85 VAL HB H 2.148 0.020 1 948 203 85 VAL HG1 H 1.035 0.020 2 949 203 85 VAL HG2 H 0.924 0.020 2 950 203 85 VAL C C 175.189 0.3 1 951 203 85 VAL CA C 67.181 0.3 1 952 203 85 VAL CB C 31.190 0.3 1 953 203 85 VAL CG1 C 22.398 0.3 1 954 203 85 VAL CG2 C 20.750 0.3 1 955 203 85 VAL N N 119.732 0.3 1 956 204 86 LYS H H 7.708 0.020 1 957 204 86 LYS HA H 4.088 0.020 1 958 204 86 LYS HB2 H 1.995 0.020 2 959 204 86 LYS HB3 H 1.952 0.020 2 960 204 86 LYS HD2 H 1.697 0.020 1 961 204 86 LYS HD3 H 1.697 0.020 1 962 204 86 LYS HE2 H 2.948 0.020 1 963 204 86 LYS HE3 H 2.948 0.020 1 964 204 86 LYS HG2 H 1.638 0.020 2 965 204 86 LYS HG3 H 1.443 0.020 2 966 204 86 LYS C C 177.392 0.3 1 967 204 86 LYS CA C 58.979 0.3 1 968 204 86 LYS CB C 31.693 0.3 1 969 204 86 LYS CD C 28.875 0.3 1 970 204 86 LYS CE C 41.582 0.3 1 971 204 86 LYS CG C 24.711 0.3 1 972 204 86 LYS N N 119.287 0.3 1 973 205 87 MET H H 8.237 0.020 1 974 205 87 MET HA H 4.157 0.020 1 975 205 87 MET HB2 H 2.332 0.020 2 976 205 87 MET HB3 H 1.910 0.020 2 977 205 87 MET HE H 1.503 0.020 1 978 205 87 MET HG2 H 3.032 0.020 2 979 205 87 MET HG3 H 2.352 0.020 2 980 205 87 MET C C 175.367 0.3 1 981 205 87 MET CA C 59.388 0.3 1 982 205 87 MET CB C 32.481 0.3 1 983 205 87 MET CE C 17.772 0.3 1 984 205 87 MET CG C 33.596 0.3 1 985 205 87 MET N N 118.719 0.3 1 986 206 88 MET H H 8.747 0.020 1 987 206 88 MET HA H 3.552 0.020 1 988 206 88 MET HB2 H 1.909 0.020 2 989 206 88 MET HB3 H 1.788 0.020 2 990 206 88 MET HE H 1.524 0.020 1 991 206 88 MET HG2 H 2.012 0.020 2 992 206 88 MET HG3 H 1.854 0.020 2 993 206 88 MET C C 175.062 0.3 1 994 206 88 MET CA C 59.154 0.3 1 995 206 88 MET CB C 32.815 0.3 1 996 206 88 MET CE C 15.850 0.3 1 997 206 88 MET CG C 32.141 0.3 1 998 206 88 MET N N 118.366 0.3 1 999 207 89 GLU H H 8.388 0.020 1 1000 207 89 GLU HA H 3.698 0.020 1 1001 207 89 GLU HB2 H 2.226 0.020 2 1002 207 89 GLU HB3 H 2.092 0.020 2 1003 207 89 GLU HG2 H 2.560 0.020 2 1004 207 89 GLU HG3 H 2.235 0.020 2 1005 207 89 GLU C C 175.558 0.3 1 1006 207 89 GLU CA C 60.134 0.3 1 1007 207 89 GLU CB C 27.765 0.3 1 1008 207 89 GLU CG C 34.772 0.3 1 1009 207 89 GLU N N 118.329 0.3 1 1010 208 90 ARG H H 7.339 0.020 1 1011 208 90 ARG HA H 4.180 0.020 1 1012 208 90 ARG HB2 H 1.920 0.020 2 1013 208 90 ARG HB3 H 2.086 0.020 2 1014 208 90 ARG HD2 H 3.223 0.020 2 1015 208 90 ARG HD3 H 3.145 0.020 2 1016 208 90 ARG HE H 7.313 0.020 1 1017 208 90 ARG HG2 H 1.805 0.020 2 1018 208 90 ARG HG3 H 1.760 0.020 2 1019 208 90 ARG C C 176.615 0.3 1 1020 208 90 ARG CA C 57.978 0.3 1 1021 208 90 ARG CB C 29.457 0.3 1 1022 208 90 ARG CD C 42.050 0.3 1 1023 208 90 ARG CG C 26.449 0.3 1 1024 208 90 ARG N N 117.014 0.3 1 1025 208 90 ARG NE N 83.251 0.3 1 1026 209 91 VAL H H 8.240 0.020 1 1027 209 91 VAL HA H 3.750 0.020 1 1028 209 91 VAL HB H 2.325 0.020 1 1029 209 91 VAL HG1 H 1.338 0.020 2 1030 209 91 VAL HG2 H 1.261 0.020 2 1031 209 91 VAL C C 174.553 0.3 1 1032 209 91 VAL CA C 65.584 0.3 1 1033 209 91 VAL CB C 31.901 0.3 1 1034 209 91 VAL CG1 C 23.763 0.3 1 1035 209 91 VAL CG2 C 20.615 0.3 1 1036 209 91 VAL N N 119.379 0.3 1 1037 210 92 VAL H H 8.958 0.020 1 1038 210 92 VAL HA H 3.640 0.020 1 1039 210 92 VAL HB H 2.276 0.020 1 1040 210 92 VAL HG1 H 1.232 0.020 2 1041 210 92 VAL HG2 H 0.979 0.020 2 1042 210 92 VAL C C 174.847 0.3 1 1043 210 92 VAL CA C 66.159 0.3 1 1044 210 92 VAL CB C 30.950 0.3 1 1045 210 92 VAL CG1 C 24.107 0.3 1 1046 210 92 VAL CG2 C 23.782 0.3 1 1047 210 92 VAL N N 120.758 0.3 1 1048 211 93 GLU H H 8.226 0.020 1 1049 211 93 GLU HA H 3.625 0.020 1 1050 211 93 GLU HB2 H 2.247 0.020 2 1051 211 93 GLU HB3 H 2.144 0.020 2 1052 211 93 GLU HG2 H 2.270 0.020 2 1053 211 93 GLU HG3 H 2.204 0.020 2 1054 211 93 GLU C C 174.973 0.3 1 1055 211 93 GLU CA C 60.692 0.3 1 1056 211 93 GLU CB C 28.247 0.3 1 1057 211 93 GLU CG C 35.093 0.3 1 1058 211 93 GLU N N 120.307 0.3 1 1059 212 94 GLN H H 7.260 0.020 1 1060 212 94 GLN HA H 4.012 0.020 1 1061 212 94 GLN HB2 H 2.147 0.020 2 1062 212 94 GLN HB3 H 2.169 0.020 2 1063 212 94 GLN HE21 H 7.450 0.020 1 1064 212 94 GLN HE22 H 6.827 0.020 1 1065 212 94 GLN HG2 H 2.479 0.020 2 1066 212 94 GLN HG3 H 2.420 0.020 2 1067 212 94 GLN C C 176.564 0.3 1 1068 212 94 GLN CA C 58.805 0.3 1 1069 212 94 GLN CB C 27.570 0.3 1 1070 212 94 GLN CG C 33.562 0.3 1 1071 212 94 GLN N N 115.551 0.3 1 1072 212 94 GLN NE2 N 111.856 0.3 1 1073 213 95 MET H H 8.313 0.020 1 1074 213 95 MET HA H 4.169 0.020 1 1075 213 95 MET HB2 H 2.232 0.020 2 1076 213 95 MET HB3 H 2.073 0.020 2 1077 213 95 MET HE H 1.922 0.020 1 1078 213 95 MET HG2 H 2.867 0.020 2 1079 213 95 MET HG3 H 2.505 0.020 2 1080 213 95 MET C C 176.080 0.3 1 1081 213 95 MET CA C 59.604 0.3 1 1082 213 95 MET CB C 34.059 0.3 1 1083 213 95 MET CE C 16.466 0.3 1 1084 213 95 MET CG C 32.207 0.3 1 1085 213 95 MET N N 119.365 0.3 1 1086 214 96 CYS H H 9.236 0.020 1 1087 214 96 CYS HA H 4.469 0.020 1 1088 214 96 CYS HB2 H 3.593 0.020 2 1089 214 96 CYS HB3 H 2.951 0.020 2 1090 214 96 CYS C C 174.311 0.3 1 1091 214 96 CYS CA C 59.376 0.3 1 1092 214 96 CYS CB C 41.150 0.3 1 1093 214 96 CYS N N 118.981 0.3 1 1094 215 97 VAL H H 8.356 0.020 1 1095 215 97 VAL HA H 3.530 0.020 1 1096 215 97 VAL HB H 2.341 0.020 1 1097 215 97 VAL HG1 H 1.141 0.020 2 1098 215 97 VAL HG2 H 0.943 0.020 2 1099 215 97 VAL C C 175.533 0.3 1 1100 215 97 VAL CA C 67.304 0.3 1 1101 215 97 VAL CB C 31.174 0.3 1 1102 215 97 VAL CG1 C 23.486 0.3 1 1103 215 97 VAL CG2 C 20.935 0.3 1 1104 215 97 VAL N N 123.536 0.3 1 1105 216 98 THR H H 8.102 0.020 1 1106 216 98 THR HA H 3.914 0.020 1 1107 216 98 THR HB H 4.313 0.020 1 1108 216 98 THR HG2 H 1.261 0.020 1 1109 216 98 THR C C 174.158 0.3 1 1110 216 98 THR CA C 66.581 0.3 1 1111 216 98 THR CB C 67.936 0.3 1 1112 216 98 THR CG2 C 21.928 0.3 1 1113 216 98 THR N N 118.412 0.3 1 1114 217 99 GLN H H 8.875 0.020 1 1115 217 99 GLN HA H 3.636 0.020 1 1116 217 99 GLN HB2 H 2.383 0.020 2 1117 217 99 GLN HB3 H 2.136 0.020 2 1118 217 99 GLN HE21 H 7.251 0.020 1 1119 217 99 GLN HE22 H 6.961 0.020 1 1120 217 99 GLN HG2 H 1.744 0.020 2 1121 217 99 GLN HG3 H 1.682 0.020 2 1122 217 99 GLN C C 174.845 0.3 1 1123 217 99 GLN CA C 58.171 0.3 1 1124 217 99 GLN CB C 27.899 0.3 1 1125 217 99 GLN CG C 32.305 0.3 1 1126 217 99 GLN N N 122.484 0.3 1 1127 217 99 GLN NE2 N 115.048 0.3 1 1128 218 100 TYR H H 8.620 0.020 1 1129 218 100 TYR HA H 2.850 0.020 1 1130 218 100 TYR HB2 H 2.974 0.020 2 1131 218 100 TYR HB3 H 2.802 0.020 2 1132 218 100 TYR HD1 H 6.243 0.020 1 1133 218 100 TYR HD2 H 6.243 0.020 1 1134 218 100 TYR HE1 H 6.540 0.020 1 1135 218 100 TYR HE2 H 6.540 0.020 1 1136 218 100 TYR C C 175.227 0.3 1 1137 218 100 TYR CA C 61.415 0.3 1 1138 218 100 TYR CB C 36.626 0.3 1 1139 218 100 TYR CD1 C 132.130 0.3 1 1140 218 100 TYR CE1 C 117.424 0.3 1 1141 218 100 TYR N N 120.281 0.3 1 1142 219 101 GLN H H 8.143 0.020 1 1143 219 101 GLN HA H 3.630 0.020 1 1144 219 101 GLN HB2 H 2.307 0.020 2 1145 219 101 GLN HB3 H 2.069 0.020 2 1146 219 101 GLN HE21 H 7.431 0.020 1 1147 219 101 GLN HE22 H 6.847 0.020 1 1148 219 101 GLN HG2 H 2.677 0.020 2 1149 219 101 GLN HG3 H 2.474 0.020 2 1150 219 101 GLN C C 175.826 0.3 1 1151 219 101 GLN CA C 58.676 0.3 1 1152 219 101 GLN CB C 27.033 0.3 1 1153 219 101 GLN CG C 33.351 0.3 1 1154 219 101 GLN N N 119.551 0.3 1 1155 219 101 GLN NE2 N 111.036 0.3 1 1156 220 102 LYS H H 7.666 0.020 1 1157 220 102 LYS HA H 3.989 0.020 1 1158 220 102 LYS HB2 H 1.874 0.020 2 1159 220 102 LYS HB3 H 1.837 0.020 2 1160 220 102 LYS HD2 H 1.596 0.020 1 1161 220 102 LYS HD3 H 1.596 0.020 1 1162 220 102 LYS HE2 H 2.903 0.020 1 1163 220 102 LYS HE3 H 2.903 0.020 1 1164 220 102 LYS HG2 H 1.540 0.020 2 1165 220 102 LYS HG3 H 1.366 0.020 2 1166 220 102 LYS C C 177.023 0.3 1 1167 220 102 LYS CA C 58.909 0.3 1 1168 220 102 LYS CB C 32.049 0.3 1 1169 220 102 LYS CD C 29.039 0.3 1 1170 220 102 LYS CE C 41.550 0.3 1 1171 220 102 LYS CG C 24.481 0.3 1 1172 220 102 LYS N N 118.667 0.3 1 1173 221 103 GLU H H 8.418 0.020 1 1174 221 103 GLU HA H 4.041 0.020 1 1175 221 103 GLU HB2 H 2.198 0.020 2 1176 221 103 GLU HB3 H 1.589 0.020 2 1177 221 103 GLU HG2 H 2.132 0.020 2 1178 221 103 GLU HG3 H 2.416 0.020 2 1179 221 103 GLU C C 176.462 0.3 1 1180 221 103 GLU CA C 57.313 0.3 1 1181 221 103 GLU CB C 29.073 0.3 1 1182 221 103 GLU CG C 35.708 0.3 1 1183 221 103 GLU N N 118.552 0.3 1 1184 222 104 SER H H 8.554 0.020 1 1185 222 104 SER HA H 3.901 0.020 1 1186 222 104 SER HB2 H 3.413 0.020 2 1187 222 104 SER HB3 H 3.257 0.020 2 1188 222 104 SER C C 173.343 0.3 1 1189 222 104 SER CA C 60.767 0.3 1 1190 222 104 SER CB C 61.996 0.3 1 1191 222 104 SER N N 115.407 0.3 1 1192 223 105 GLN H H 7.563 0.020 1 1193 223 105 GLN HA H 4.083 0.020 1 1194 223 105 GLN HB2 H 2.080 0.020 2 1195 223 105 GLN HB3 H 2.148 0.020 2 1196 223 105 GLN HE21 H 7.683 0.020 1 1197 223 105 GLN HE22 H 6.837 0.020 1 1198 223 105 GLN HG2 H 2.468 0.020 2 1199 223 105 GLN HG3 H 2.383 0.020 2 1200 223 105 GLN C C 174.858 0.3 1 1201 223 105 GLN CA C 57.999 0.3 1 1202 223 105 GLN CB C 27.897 0.3 1 1203 223 105 GLN CG C 33.384 0.3 1 1204 223 105 GLN N N 120.765 0.3 1 1205 223 105 GLN NE2 N 113.161 0.3 1 1206 224 106 ALA H H 7.572 0.020 1 1207 224 106 ALA HA H 4.177 0.020 1 1208 224 106 ALA HB H 1.436 0.020 1 1209 224 106 ALA C C 176.742 0.3 1 1210 224 106 ALA CA C 53.973 0.3 1 1211 224 106 ALA CB C 17.858 0.3 1 1212 224 106 ALA N N 120.241 0.3 1 1213 225 107 TYR H H 7.933 0.020 1 1214 225 107 TYR HA H 4.180 0.020 1 1215 225 107 TYR HB2 H 2.969 0.020 2 1216 225 107 TYR HB3 H 2.847 0.020 2 1217 225 107 TYR HD1 H 6.641 0.020 1 1218 225 107 TYR HD2 H 6.641 0.020 1 1219 225 107 TYR HE1 H 6.626 0.020 1 1220 225 107 TYR HE2 H 6.626 0.020 1 1221 225 107 TYR C C 174.985 0.3 1 1222 225 107 TYR CA C 59.959 0.3 1 1223 225 107 TYR CB C 38.123 0.3 1 1224 225 107 TYR CD1 C 132.911 0.3 1 1225 225 107 TYR CE1 C 117.241 0.3 1 1226 225 107 TYR N N 119.547 0.3 1 1227 226 108 TYR H H 8.094 0.020 1 1228 226 108 TYR HA H 4.168 0.020 1 1229 226 108 TYR HB2 H 3.146 0.020 2 1230 226 108 TYR HB3 H 2.956 0.020 2 1231 226 108 TYR HD1 H 7.234 0.020 1 1232 226 108 TYR HD2 H 7.234 0.020 1 1233 226 108 TYR HE1 H 6.876 0.020 1 1234 226 108 TYR HE2 H 6.876 0.020 1 1235 226 108 TYR C C 174.731 0.3 1 1236 226 108 TYR CA C 59.977 0.3 1 1237 226 108 TYR CB C 37.637 0.3 1 1238 226 108 TYR CD1 C 133.087 0.3 1 1239 226 108 TYR CE1 C 117.864 0.3 1 1240 226 108 TYR N N 119.174 0.3 1 1241 227 109 ASP H H 8.321 0.020 1 1242 227 109 ASP HA H 4.519 0.020 1 1243 227 109 ASP HB2 H 2.777 0.020 2 1244 227 109 ASP HB3 H 2.758 0.020 2 1245 227 109 ASP C C 174.680 0.3 1 1246 227 109 ASP CA C 54.911 0.3 1 1247 227 109 ASP CB C 39.870 0.3 1 1248 227 109 ASP N N 120.337 0.3 1 1249 228 110 GLY H H 7.848 0.020 1 1250 228 110 GLY HA2 H 3.922 0.020 1 1251 228 110 GLY HA3 H 3.922 0.020 1 1252 228 110 GLY C C 171.904 0.3 1 1253 228 110 GLY CA C 45.273 0.3 1 1254 228 110 GLY N N 107.709 0.3 1 1255 229 111 ARG H H 7.777 0.020 1 1256 229 111 ARG HA H 4.305 0.020 1 1257 229 111 ARG HB2 H 1.705 0.020 2 1258 229 111 ARG HB3 H 1.847 0.020 2 1259 229 111 ARG HD2 H 3.027 0.020 1 1260 229 111 ARG HD3 H 3.027 0.020 1 1261 229 111 ARG HE H 7.206 0.020 1 1262 229 111 ARG HG2 H 1.534 0.020 1 1263 229 111 ARG HG3 H 1.534 0.020 1 1264 229 111 ARG C C 173.658 0.3 1 1265 229 111 ARG CA C 55.615 0.3 1 1266 229 111 ARG CB C 30.150 0.3 1 1267 229 111 ARG CD C 42.820 0.3 1 1268 229 111 ARG CG C 26.482 0.3 1 1269 229 111 ARG N N 119.807 0.3 1 1270 229 111 ARG NE N 84.518 0.3 1 1271 230 112 ARG H H 8.177 0.020 1 1272 230 112 ARG HA H 4.398 0.020 1 1273 230 112 ARG HB2 H 1.793 0.020 2 1274 230 112 ARG HB3 H 1.903 0.020 2 1275 230 112 ARG HD2 H 3.181 0.020 1 1276 230 112 ARG HD3 H 3.181 0.020 1 1277 230 112 ARG HE H 7.225 0.020 1 1278 230 112 ARG HG2 H 1.666 0.020 2 1279 230 112 ARG HG3 H 1.620 0.020 2 1280 230 112 ARG C C 173.671 0.3 1 1281 230 112 ARG CA C 55.645 0.3 1 1282 230 112 ARG CB C 30.550 0.3 1 1283 230 112 ARG CD C 42.855 0.3 1 1284 230 112 ARG CG C 26.648 0.3 1 1285 230 112 ARG N N 121.709 0.3 1 1286 230 112 ARG NE N 84.658 0.3 1 1287 231 113 SER H H 8.418 0.020 1 1288 231 113 SER HA H 4.516 0.020 1 1289 231 113 SER HB2 H 3.924 0.020 2 1290 231 113 SER HB3 H 3.888 0.020 2 1291 231 113 SER C C 171.043 0.3 1 1292 231 113 SER CA C 57.894 0.3 1 1293 231 113 SER CB C 63.602 0.3 1 1294 231 113 SER N N 117.380 0.3 1 1295 232 114 SER H H 8.033 0.020 1 1296 232 114 SER HA H 4.296 0.020 1 1297 232 114 SER HB2 H 3.879 0.020 1 1298 232 114 SER HB3 H 3.879 0.020 1 1299 232 114 SER C C 175.913 0.3 1 1300 232 114 SER CA C 59.533 0.3 1 1301 232 114 SER CB C 64.334 0.3 1 1302 232 114 SER N N 122.802 0.3 1 stop_ save_