data_17082 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Mouse Prion Protein (121-231) with mutation F175A ; _BMRB_accession_number 17082 _BMRB_flat_file_name bmr17082.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 Hornemann Simone . . 4 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" 695 "13C chemical shifts" 479 "15N chemical shifts" 135 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-01-30 update BMRB 'update entry citation' 2012-09-04 update BMRB 'update entry citation' 2012-08-02 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 17081 'Prion Protein with Y169G Mutation' 17084 'Prion Protein' 17087 'Prion Protein with Y169A, Y225A, and Y226A mutation' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Prion protein mPrP[F175A](121-231): structure and stability in solution.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22922482 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Christen Barbara . . 2 Hornemann Simone . . 3 Damberger Fred F. . 4 Wuthrich Kurt . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 423 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 496 _Page_last 502 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'mouse prion protein with mutation F175A' _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 mPrP121-231_F175A _Molecular_mass 13330.79 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 114 _Mol_residue_sequence ; GSVVGGLGGYMLGSAMSRPM IHFGNDWEDRYYRENMYRYP NQVYYRPVDQYSNQNNAVHD 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 TYR 52 170 SER 53 171 ASN 54 172 GLN 55 173 ASN 56 174 ASN 57 175 ALA 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 4.33e-77 BMRB 16071 mPrP90 99.12 144 98.23 99.12 7.04e-77 BMRB 16075 mPrP90_M129V 99.12 141 97.35 99.12 4.36e-76 BMRB 16076 mPrP90_P102L 99.12 141 98.23 99.12 5.60e-77 BMRB 16077 mPrP90_P105L 99.12 141 98.23 99.12 5.60e-77 BMRB 16078 mPrP90_A117V 99.12 142 98.23 99.12 1.21e-76 BMRB 16079 mPrP90_3AV 99.12 142 98.23 99.12 1.94e-76 BMRB 16080 mPrP90_2II 99.12 142 98.23 99.12 9.66e-77 BMRB 16184 mpp_121-231 100.00 114 97.37 97.37 7.24e-76 BMRB 16185 mpp_121-231 100.00 114 98.25 98.25 3.06e-77 BMRB 16722 "mouse prion protein double mutant D167S, N173K" 99.12 113 98.23 98.23 3.94e-76 BMRB 16723 "mouse prion protein double mutant D167S, N173K" 99.12 113 97.35 97.35 2.36e-75 BMRB 17081 "Prion with Y169G mutation" 100.00 114 98.25 98.25 2.35e-76 BMRB 17084 prion 100.00 114 99.12 99.12 9.93e-78 BMRB 17174 Mouse_prion 100.00 114 99.12 99.12 9.93e-78 BMRB 17213 entity 100.00 114 98.25 98.25 7.99e-77 BMRB 17758 mPrP(121-232) 100.00 114 99.12 99.12 9.93e-78 BMRB 17759 mPrP(121-232) 100.00 114 97.37 97.37 5.17e-75 PDB 1AG2 "Prion Protein Domain Prp(121-231) From Mouse, Nmr, 2 Minimized Average Structure" 89.47 103 99.02 99.02 1.01e-68 PDB 1XYX "Mouse Prion Protein Fragment 121-231" 98.25 112 99.11 99.11 3.53e-76 PDB 1Y15 "Mouse Prion Protein With Mutation N174t" 98.25 112 98.21 98.21 1.84e-75 PDB 1Y16 "Mouse Prion Protein With Mutations S170n And N174t" 98.25 112 97.32 98.21 1.01e-74 PDB 2K5O "Mouse Prion Protein (121-231) With Mutation S170n" 100.00 114 98.25 99.12 4.33e-77 PDB 2KFM "Mouse Prion Protein (121-231) With Mutations Y225a And Y226a" 100.00 114 97.37 97.37 7.24e-76 PDB 2KFO "Mouse Prion Protein (121-231) With Mutation V166a" 100.00 114 98.25 98.25 3.06e-77 PDB 2KU5 "Mouse Prion Protein (121-231) With Mutation D167s" 99.12 113 98.23 98.23 3.94e-76 PDB 2KU6 "Mouse Prion Protein (121-231) With Mutations D167s And N173k" 99.12 113 97.35 97.35 2.36e-75 PDB 2L1D "Mouse Prion Protein (121-231) Containing The Substitution Y169g" 100.00 114 98.25 98.25 2.35e-76 PDB 2L1E "Mouse Prion Protein (121-231) Containing The Substitution F175a" 100.00 114 100.00 100.00 7.63e-79 PDB 2L1H "Mouse Prion Protein Fragment 121-231 At 20 C" 100.00 114 99.12 99.12 9.93e-78 PDB 2L39 "Mouse Prion Protein Fragment 121-231 At 37 C" 100.00 114 99.12 99.12 9.93e-78 PDB 2L40 "Mouse Prion Protein (121-231) Containing The Substitution Y169a" 100.00 114 98.25 98.25 7.99e-77 PDB 4H88 "Structure Of Pom1 Fab Fragment Complexed With Mouse Prpc Fragment 120- 230" 97.37 111 98.20 98.20 8.20e-75 PDB 4MA7 "Crystal Structure Of Mouse Prion Protein Complexed With Promazine" 98.25 114 98.21 99.11 3.64e-76 PDB 4MA8 "Crystal Structure Of Mouse Prion Protein Complexed With Chlorpromazine" 98.25 114 98.21 99.11 3.64e-76 DBJ BAA08790 "prion protein [Rattus norvegicus]" 100.00 254 97.37 99.12 5.00e-76 DBJ BAE28320 "unnamed protein product [Mus musculus]" 100.00 254 97.37 99.12 3.94e-76 DBJ BAE28693 "unnamed protein product [Mus musculus]" 100.00 254 97.37 98.25 1.39e-75 DBJ BAE29994 "unnamed protein product [Mus musculus]" 100.00 254 97.37 98.25 1.36e-75 DBJ BAE34221 "unnamed protein product [Mus musculus]" 100.00 254 98.25 99.12 2.84e-76 EMBL CAJ18553 "Prnp [Mus musculus]" 100.00 254 98.25 99.12 2.26e-76 GB AAA39996 "prion protein [Mus musculus]" 100.00 254 97.37 99.12 1.06e-75 GB AAA39997 "prion protein [Mus musculus]" 100.00 254 98.25 99.12 2.26e-76 GB AAA39998 "prion protein [Mus musculus]" 100.00 254 97.37 98.25 1.37e-75 GB AAA41947 "prion-related protein, partial [Rattus norvegicus]" 100.00 226 97.37 99.12 1.50e-76 GB AAB30728 "prion protein [Rattus norvegicus]" 100.00 254 97.37 99.12 5.00e-76 REF NP_001265185 "major prion protein precursor [Mus musculus]" 100.00 254 98.25 99.12 2.26e-76 REF NP_035300 "major prion protein precursor [Mus musculus]" 100.00 254 98.25 99.12 2.26e-76 REF NP_036763 "major prion protein precursor [Rattus norvegicus]" 100.00 254 97.37 99.12 5.00e-76 REF XP_006235124 "PREDICTED: major prion protein isoform X1 [Rattus norvegicus]" 100.00 254 97.37 99.12 5.00e-76 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 2.26e-76 SP P13852 "RecName: Full=Major prion protein; Short=PrP; AltName: CD_antigen=CD230; Flags: Precursor" 100.00 254 97.37 99.12 5.00e-76 SP Q9Z0T3 "RecName: Full=Major prion protein; Short=PrP; AltName: CD_antigen=CD230; Flags: Precursor" 100.00 254 97.37 99.12 8.90e-76 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 1.0 mM '[U-99% 13C; U-99% 15N]' 'sodium acetate' 10 mM [U-2H] 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 DSS C 13 'methyl protons' ppm 0 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0000 DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.101329118 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 3.908 0.020 1 2 119 1 GLY HA3 H 3.908 0.020 1 3 119 1 GLY C C 167.435 0.3 1 4 119 1 GLY CA C 42.853 0.3 1 5 120 2 SER H H 8.691 0.020 1 6 120 2 SER HA H 4.593 0.020 1 7 120 2 SER HB2 H 3.851 0.020 1 8 120 2 SER HB3 H 3.851 0.020 1 9 120 2 SER C C 171.704 0.3 1 10 120 2 SER CA C 57.605 0.3 1 11 120 2 SER CB C 63.572 0.3 1 12 120 2 SER N N 115.774 0.3 1 13 121 3 VAL H H 8.409 0.020 1 14 121 3 VAL HA H 4.209 0.020 1 15 121 3 VAL HB H 2.067 0.020 1 16 121 3 VAL HG1 H 0.919 0.020 2 17 121 3 VAL HG2 H 0.892 0.020 2 18 121 3 VAL C C 173.665 0.3 1 19 121 3 VAL CA C 61.818 0.3 1 20 121 3 VAL CB C 32.294 0.3 1 21 121 3 VAL CG1 C 20.055 0.3 1 22 121 3 VAL CG2 C 20.725 0.3 1 23 121 3 VAL N N 122.144 0.3 1 24 122 4 VAL H H 8.380 0.020 1 25 122 4 VAL HA H 4.109 0.020 1 26 122 4 VAL HB H 2.044 0.020 1 27 122 4 VAL HG1 H 0.938 0.020 2 28 122 4 VAL HG2 H 0.914 0.020 2 29 122 4 VAL C C 173.985 0.3 1 30 122 4 VAL CA C 62.062 0.3 1 31 122 4 VAL CB C 32.133 0.3 1 32 122 4 VAL CG1 C 20.323 0.3 1 33 122 4 VAL CG2 C 20.697 0.3 1 34 122 4 VAL N N 124.889 0.3 1 35 123 5 GLY H H 8.611 0.020 1 36 123 5 GLY HA2 H 3.980 0.020 1 37 123 5 GLY HA3 H 3.980 0.020 1 38 123 5 GLY C C 171.984 0.3 1 39 123 5 GLY CA C 44.818 0.3 1 40 123 5 GLY N N 113.471 0.3 1 41 124 6 GLY H H 8.341 0.020 1 42 124 6 GLY HA2 H 3.989 0.020 1 43 124 6 GLY HA3 H 3.989 0.020 1 44 124 6 GLY C C 171.824 0.3 1 45 124 6 GLY CA C 44.870 0.3 1 46 124 6 GLY N N 108.537 0.3 1 47 125 7 LEU H H 8.321 0.020 1 48 125 7 LEU HA H 4.366 0.020 1 49 125 7 LEU HB2 H 1.512 0.020 2 50 125 7 LEU HB3 H 1.611 0.020 2 51 125 7 LEU HD1 H 0.612 0.020 2 52 125 7 LEU HD2 H 0.536 0.020 2 53 125 7 LEU HG H 1.477 0.020 1 54 125 7 LEU C C 175.493 0.3 1 55 125 7 LEU CA C 54.646 0.3 1 56 125 7 LEU CB C 42.041 0.3 1 57 125 7 LEU CD1 C 23.930 0.3 1 58 125 7 LEU CD2 C 23.204 0.3 1 59 125 7 LEU CG C 26.383 0.3 1 60 125 7 LEU N N 122.008 0.3 1 61 126 8 GLY H H 8.660 0.020 1 62 126 8 GLY HA2 H 3.960 0.020 1 63 126 8 GLY C C 172.304 0.3 1 64 126 8 GLY CA C 45.902 0.3 1 65 126 8 GLY N N 109.954 0.3 1 66 127 9 GLY H H 8.414 0.020 1 67 127 9 GLY HA2 H 3.916 0.020 1 68 127 9 GLY C C 171.397 0.3 1 69 127 9 GLY CA C 44.732 0.3 1 70 127 9 GLY N N 108.912 0.3 1 71 128 10 TYR H H 7.943 0.020 1 72 128 10 TYR HA H 4.267 0.020 1 73 128 10 TYR HB2 H 3.000 0.020 2 74 128 10 TYR HB3 H 2.933 0.020 2 75 128 10 TYR HD1 H 6.933 0.020 1 76 128 10 TYR HD2 H 6.933 0.020 1 77 128 10 TYR HE1 H 6.741 0.020 1 78 128 10 TYR HE2 H 6.741 0.020 1 79 128 10 TYR C C 173.078 0.3 1 80 128 10 TYR CA C 58.117 0.3 1 81 128 10 TYR CB C 39.364 0.3 1 82 128 10 TYR CD1 C 133.321 0.3 1 83 128 10 TYR CE1 C 118.239 0.3 1 84 128 10 TYR N N 118.512 0.3 1 85 129 11 MET H H 9.031 0.020 1 86 129 11 MET HA H 4.464 0.020 1 87 129 11 MET HB2 H 1.163 0.020 2 88 129 11 MET HB3 H 1.612 0.020 2 89 129 11 MET HE H 1.928 0.020 1 90 129 11 MET HG2 H 2.332 0.020 1 91 129 11 MET HG3 H 2.332 0.020 1 92 129 11 MET C C 170.796 0.3 1 93 129 11 MET CA C 53.784 0.3 1 94 129 11 MET CB C 33.788 0.3 1 95 129 11 MET CE C 16.582 0.3 1 96 129 11 MET CG C 31.776 0.3 1 97 129 11 MET N N 122.170 0.3 1 98 130 12 LEU H H 8.164 0.020 1 99 130 12 LEU HA H 4.681 0.020 1 100 130 12 LEU HB2 H 1.060 0.020 2 101 130 12 LEU HB3 H 1.636 0.020 2 102 130 12 LEU HD1 H 0.044 0.020 2 103 130 12 LEU HD2 H 0.617 0.020 2 104 130 12 LEU HG H 1.365 0.020 1 105 130 12 LEU C C 175.800 0.3 1 106 130 12 LEU CA C 52.860 0.3 1 107 130 12 LEU CB C 42.805 0.3 1 108 130 12 LEU CD1 C 21.369 0.3 1 109 130 12 LEU CD2 C 25.159 0.3 1 110 130 12 LEU CG C 25.810 0.3 1 111 130 12 LEU N N 121.650 0.3 1 112 131 13 GLY H H 9.424 0.020 1 113 131 13 GLY HA2 H 4.297 0.020 1 114 131 13 GLY C C 170.116 0.3 1 115 131 13 GLY CA C 44.100 0.3 1 116 131 13 GLY N N 114.927 0.3 1 117 132 14 SER H H 8.223 0.020 1 118 132 14 SER HA H 4.363 0.020 1 119 132 14 SER HB2 H 3.867 0.020 2 120 132 14 SER HB3 H 3.948 0.020 2 121 132 14 SER C C 172.291 0.3 1 122 132 14 SER CA C 58.133 0.3 1 123 132 14 SER CB C 63.479 0.3 1 124 132 14 SER N N 113.904 0.3 1 125 133 15 ALA H H 8.759 0.020 1 126 133 15 ALA HA H 4.388 0.020 1 127 133 15 ALA HB H 1.253 0.020 1 128 133 15 ALA C C 174.879 0.3 1 129 133 15 ALA CA C 52.441 0.3 1 130 133 15 ALA CB C 17.856 0.3 1 131 133 15 ALA N N 125.700 0.3 1 132 134 16 MET H H 8.765 0.020 1 133 134 16 MET HA H 4.703 0.020 1 134 134 16 MET HB2 H 2.011 0.020 2 135 134 16 MET HB3 H 1.941 0.020 2 136 134 16 MET HE H 2.099 0.020 1 137 134 16 MET HG2 H 2.476 0.020 2 138 134 16 MET HG3 H 2.407 0.020 2 139 134 16 MET C C 173.038 0.3 1 140 134 16 MET CA C 53.533 0.3 1 141 134 16 MET CB C 35.921 0.3 1 142 134 16 MET CE C 17.091 0.3 1 143 134 16 MET CG C 30.952 0.3 1 144 134 16 MET N N 121.316 0.3 1 145 135 17 SER H H 8.432 0.020 1 146 135 17 SER HA H 4.346 0.020 1 147 135 17 SER HB2 H 3.820 0.020 2 148 135 17 SER HB3 H 3.743 0.020 2 149 135 17 SER C C 171.784 0.3 1 150 135 17 SER CA C 58.079 0.3 1 151 135 17 SER CB C 62.646 0.3 1 152 135 17 SER N N 116.052 0.3 1 153 136 18 ARG H H 8.685 0.020 1 154 136 18 ARG HA H 4.368 0.020 1 155 136 18 ARG HB2 H 1.807 0.020 2 156 136 18 ARG HB3 H 1.773 0.020 2 157 136 18 ARG HD2 H 3.080 0.020 2 158 136 18 ARG HD3 H 2.959 0.020 2 159 136 18 ARG HE H 6.742 0.020 1 160 136 18 ARG HG2 H 1.626 0.020 1 161 136 18 ARG HG3 H 1.626 0.020 1 162 136 18 ARG C C 171.997 0.3 1 163 136 18 ARG CA C 54.346 0.3 1 164 136 18 ARG CB C 28.212 0.3 1 165 136 18 ARG CD C 43.442 0.3 1 166 136 18 ARG CG C 28.974 0.3 1 167 136 18 ARG N N 126.486 0.3 1 168 136 18 ARG NE N 85.669 0.3 1 169 137 19 PRO HA H 4.404 0.020 1 170 137 19 PRO HB2 H 1.765 0.020 2 171 137 19 PRO HB3 H 2.226 0.020 2 172 137 19 PRO HD2 H 3.596 0.020 2 173 137 19 PRO HD3 H 3.902 0.020 2 174 137 19 PRO HG2 H 1.964 0.020 2 175 137 19 PRO HG3 H 1.992 0.020 2 176 137 19 PRO C C 173.146 0.3 1 177 137 19 PRO CA C 61.886 0.3 1 178 137 19 PRO CB C 31.766 0.3 1 179 137 19 PRO CD C 50.115 0.3 1 180 137 19 PRO CG C 26.839 0.3 1 181 138 20 MET H H 8.755 0.020 1 182 138 20 MET HA H 4.862 0.020 1 183 138 20 MET HB2 H 2.021 0.020 2 184 138 20 MET HB3 H 1.996 0.020 2 185 138 20 MET HE H 2.132 0.020 1 186 138 20 MET HG2 H 2.688 0.020 2 187 138 20 MET HG3 H 2.353 0.020 2 188 138 20 MET C C 172.452 0.3 1 189 138 20 MET CA C 53.584 0.3 1 190 138 20 MET CB C 29.826 0.3 1 191 138 20 MET CE C 16.013 0.3 1 192 138 20 MET CG C 31.430 0.3 1 193 138 20 MET N N 122.019 0.3 1 194 139 21 ILE H H 6.610 0.020 1 195 139 21 ILE HA H 3.869 0.020 1 196 139 21 ILE HB H 0.869 0.020 1 197 139 21 ILE HD1 H 0.431 0.020 1 198 139 21 ILE HG12 H 0.859 0.020 2 199 139 21 ILE HG13 H 0.736 0.020 2 200 139 21 ILE HG2 H -0.075 0.020 1 201 139 21 ILE C C 170.731 0.3 1 202 139 21 ILE CA C 58.836 0.3 1 203 139 21 ILE CB C 38.588 0.3 1 204 139 21 ILE CD1 C 11.977 0.3 1 205 139 21 ILE CG1 C 26.250 0.3 1 206 139 21 ILE CG2 C 16.674 0.3 1 207 139 21 ILE N N 124.208 0.3 1 208 140 22 HIS H H 8.248 0.020 1 209 140 22 HIS HA H 4.925 0.020 1 210 140 22 HIS HB2 H 3.301 0.020 2 211 140 22 HIS HB3 H 2.955 0.020 2 212 140 22 HIS HD2 H 7.235 0.020 1 213 140 22 HIS HE1 H 8.587 0.020 1 214 140 22 HIS C C 172.052 0.3 1 215 140 22 HIS CA C 53.608 0.3 1 216 140 22 HIS CB C 29.087 0.3 1 217 140 22 HIS CD2 C 120.026 0.3 1 218 140 22 HIS CE1 C 136.570 0.3 1 219 140 22 HIS N N 121.669 0.3 1 220 141 23 PHE H H 10.441 0.020 1 221 141 23 PHE HA H 4.268 0.020 1 222 141 23 PHE HB2 H 2.792 0.020 2 223 141 23 PHE HB3 H 3.315 0.020 2 224 141 23 PHE HD1 H 7.319 0.020 1 225 141 23 PHE HD2 H 7.319 0.020 1 226 141 23 PHE HE1 H 6.913 0.020 1 227 141 23 PHE HE2 H 6.913 0.020 1 228 141 23 PHE HZ H 6.773 0.020 1 229 141 23 PHE C C 174.307 0.3 1 230 141 23 PHE CA C 59.148 0.3 1 231 141 23 PHE CB C 40.372 0.3 1 232 141 23 PHE CD1 C 132.124 0.3 1 233 141 23 PHE CE1 C 131.439 0.3 1 234 141 23 PHE CZ C 129.198 0.3 1 235 141 23 PHE N N 124.778 0.3 1 236 142 24 GLY H H 9.048 0.020 1 237 142 24 GLY HA2 H 4.128 0.020 1 238 142 24 GLY C C 170.637 0.3 1 239 142 24 GLY CA C 45.260 0.3 1 240 142 24 GLY N N 108.995 0.3 1 241 143 25 ASN H H 7.244 0.020 1 242 143 25 ASN HA H 4.899 0.020 1 243 143 25 ASN HB2 H 2.733 0.020 2 244 143 25 ASN HB3 H 2.705 0.020 2 245 143 25 ASN HD21 H 7.615 0.020 1 246 143 25 ASN HD22 H 7.462 0.020 1 247 143 25 ASN C C 171.825 0.3 1 248 143 25 ASN CA C 52.101 0.3 1 249 143 25 ASN CB C 41.048 0.3 1 250 143 25 ASN N N 114.391 0.3 1 251 143 25 ASN ND2 N 115.979 0.3 1 252 144 26 ASP H H 9.068 0.020 1 253 144 26 ASP HA H 4.448 0.020 1 254 144 26 ASP HB2 H 2.786 0.020 1 255 144 26 ASP HB3 H 2.786 0.020 1 256 144 26 ASP C C 175.294 0.3 1 257 144 26 ASP CA C 57.360 0.3 1 258 144 26 ASP CB C 40.530 0.3 1 259 144 26 ASP N N 123.346 0.3 1 260 145 27 TRP H H 8.562 0.020 1 261 145 27 TRP HA H 4.244 0.020 1 262 145 27 TRP HB2 H 3.428 0.020 1 263 145 27 TRP HB3 H 3.428 0.020 1 264 145 27 TRP HD1 H 7.358 0.020 1 265 145 27 TRP HE1 H 10.266 0.020 1 266 145 27 TRP HE3 H 7.374 0.020 1 267 145 27 TRP HH2 H 6.913 0.020 1 268 145 27 TRP HZ2 H 7.450 0.020 1 269 145 27 TRP HZ3 H 6.736 0.020 1 270 145 27 TRP C C 176.548 0.3 1 271 145 27 TRP CA C 61.334 0.3 1 272 145 27 TRP CB C 27.882 0.3 1 273 145 27 TRP CD1 C 127.721 0.3 1 274 145 27 TRP CE3 C 120.918 0.3 1 275 145 27 TRP CH2 C 125.073 0.3 1 276 145 27 TRP CZ2 C 114.892 0.3 1 277 145 27 TRP CZ3 C 121.390 0.3 1 278 145 27 TRP N N 120.569 0.3 1 279 145 27 TRP NE1 N 129.611 0.3 1 280 146 28 GLU H H 8.217 0.020 1 281 146 28 GLU HA H 3.471 0.020 1 282 146 28 GLU HB2 H 1.856 0.020 2 283 146 28 GLU HB3 H 1.290 0.020 2 284 146 28 GLU HG2 H 2.140 0.020 2 285 146 28 GLU HG3 H 1.612 0.020 2 286 146 28 GLU C C 175.027 0.3 1 287 146 28 GLU CA C 59.403 0.3 1 288 146 28 GLU CB C 29.107 0.3 1 289 146 28 GLU CG C 36.757 0.3 1 290 146 28 GLU N N 120.434 0.3 1 291 147 29 ASP H H 7.977 0.020 1 292 147 29 ASP HA H 4.680 0.020 1 293 147 29 ASP HB2 H 2.847 0.020 2 294 147 29 ASP HB3 H 2.938 0.020 2 295 147 29 ASP C C 176.375 0.3 1 296 147 29 ASP CA C 58.035 0.3 1 297 147 29 ASP CB C 40.024 0.3 1 298 147 29 ASP N N 119.029 0.3 1 299 148 30 ARG H H 8.061 0.020 1 300 148 30 ARG HA H 3.980 0.020 1 301 148 30 ARG HB2 H 1.875 0.020 1 302 148 30 ARG HB3 H 1.875 0.020 1 303 148 30 ARG HD2 H 3.215 0.020 2 304 148 30 ARG HD3 H 3.190 0.020 2 305 148 30 ARG HE H 7.471 0.020 1 306 148 30 ARG HG2 H 1.723 0.020 2 307 148 30 ARG HG3 H 1.487 0.020 2 308 148 30 ARG C C 174.920 0.3 1 309 148 30 ARG CA C 59.150 0.3 1 310 148 30 ARG CB C 29.400 0.3 1 311 148 30 ARG CD C 43.113 0.3 1 312 148 30 ARG CG C 27.270 0.3 1 313 148 30 ARG N N 120.001 0.3 1 314 148 30 ARG NE N 85.195 0.3 1 315 149 31 TYR H H 8.296 0.020 1 316 149 31 TYR HA H 3.753 0.020 1 317 149 31 TYR HB2 H 2.695 0.020 2 318 149 31 TYR HB3 H 2.327 0.020 2 319 149 31 TYR HD1 H 6.895 0.020 1 320 149 31 TYR HD2 H 6.895 0.020 1 321 149 31 TYR HE1 H 6.921 0.020 1 322 149 31 TYR HE2 H 6.921 0.020 1 323 149 31 TYR C C 176.907 0.3 1 324 149 31 TYR CA C 61.759 0.3 1 325 149 31 TYR CB C 37.745 0.3 1 326 149 31 TYR CD1 C 133.785 0.3 1 327 149 31 TYR CE1 C 118.081 0.3 1 328 149 31 TYR N N 120.866 0.3 1 329 150 32 TYR H H 9.019 0.020 1 330 150 32 TYR HA H 4.104 0.020 1 331 150 32 TYR HB2 H 3.571 0.020 2 332 150 32 TYR HB3 H 3.219 0.020 2 333 150 32 TYR HD1 H 7.505 0.020 1 334 150 32 TYR HD2 H 7.505 0.020 1 335 150 32 TYR HE1 H 7.034 0.020 1 336 150 32 TYR HE2 H 7.034 0.020 1 337 150 32 TYR C C 174.319 0.3 1 338 150 32 TYR CA C 62.558 0.3 1 339 150 32 TYR CB C 37.979 0.3 1 340 150 32 TYR CD1 C 133.600 0.3 1 341 150 32 TYR CE1 C 118.520 0.3 1 342 150 32 TYR N N 120.398 0.3 1 343 151 33 ARG H H 7.927 0.020 1 344 151 33 ARG HA H 3.874 0.020 1 345 151 33 ARG HB2 H 1.969 0.020 2 346 151 33 ARG HB3 H 2.032 0.020 2 347 151 33 ARG HD2 H 3.357 0.020 2 348 151 33 ARG HD3 H 3.283 0.020 2 349 151 33 ARG HE H 7.499 0.020 1 350 151 33 ARG HG2 H 1.991 0.020 2 351 151 33 ARG HG3 H 1.755 0.020 2 352 151 33 ARG HH11 H 7.096 0.020 1 353 151 33 ARG HH12 H 7.096 0.020 1 354 151 33 ARG HH21 H 6.618 0.020 1 355 151 33 ARG HH22 H 6.618 0.020 1 356 151 33 ARG C C 176.427 0.3 1 357 151 33 ARG CA C 59.534 0.3 1 358 151 33 ARG CB C 29.345 0.3 1 359 151 33 ARG CD C 43.100 0.3 1 360 151 33 ARG CG C 27.984 0.3 1 361 151 33 ARG N N 117.378 0.3 1 362 151 33 ARG NE N 84.876 0.3 1 363 152 34 GLU H H 7.906 0.020 1 364 152 34 GLU HA H 4.102 0.020 1 365 152 34 GLU HB2 H 1.885 0.020 1 366 152 34 GLU HB3 H 1.885 0.020 1 367 152 34 GLU HG2 H 2.464 0.020 2 368 152 34 GLU HG3 H 2.254 0.020 2 369 152 34 GLU C C 174.866 0.3 1 370 152 34 GLU CA C 57.218 0.3 1 371 152 34 GLU CB C 29.369 0.3 1 372 152 34 GLU CG C 35.488 0.3 1 373 152 34 GLU N N 115.523 0.3 1 374 153 35 ASN H H 7.554 0.020 1 375 153 35 ASN HA H 4.504 0.020 1 376 153 35 ASN HB2 H 2.219 0.020 2 377 153 35 ASN HB3 H 2.146 0.020 2 378 153 35 ASN HD21 H 6.798 0.020 1 379 153 35 ASN HD22 H 6.556 0.020 1 380 153 35 ASN C C 172.851 0.3 1 381 153 35 ASN CA C 54.440 0.3 1 382 153 35 ASN CB C 40.801 0.3 1 383 153 35 ASN N N 115.222 0.3 1 384 153 35 ASN ND2 N 116.809 0.3 1 385 154 36 MET H H 7.887 0.020 1 386 154 36 MET HA H 3.413 0.020 1 387 154 36 MET HB2 H 1.574 0.020 2 388 154 36 MET HB3 H 1.253 0.020 2 389 154 36 MET HE H 1.934 0.020 1 390 154 36 MET HG2 H 2.311 0.020 2 391 154 36 MET HG3 H 1.824 0.020 2 392 154 36 MET C C 173.812 0.3 1 393 154 36 MET CA C 58.678 0.3 1 394 154 36 MET CB C 29.945 0.3 1 395 154 36 MET CE C 16.911 0.3 1 396 154 36 MET CG C 29.816 0.3 1 397 154 36 MET N N 118.425 0.3 1 398 155 37 TYR H H 7.643 0.020 1 399 155 37 TYR HA H 4.164 0.020 1 400 155 37 TYR HB2 H 2.977 0.020 1 401 155 37 TYR HB3 H 2.977 0.020 1 402 155 37 TYR HD1 H 7.084 0.020 1 403 155 37 TYR HD2 H 7.084 0.020 1 404 155 37 TYR HE1 H 6.892 0.020 1 405 155 37 TYR HE2 H 6.892 0.020 1 406 155 37 TYR C C 173.278 0.3 1 407 155 37 TYR CA C 58.866 0.3 1 408 155 37 TYR CB C 35.728 0.3 1 409 155 37 TYR CD1 C 133.440 0.3 1 410 155 37 TYR CE1 C 118.765 0.3 1 411 155 37 TYR N N 116.528 0.3 1 412 156 38 ARG H H 7.524 0.020 1 413 156 38 ARG HA H 4.069 0.020 1 414 156 38 ARG HB2 H 1.390 0.020 2 415 156 38 ARG HB3 H 2.066 0.020 2 416 156 38 ARG HD2 H 3.212 0.020 2 417 156 38 ARG HD3 H 3.079 0.020 2 418 156 38 ARG HE H 7.436 0.020 1 419 156 38 ARG HG2 H 1.266 0.020 2 420 156 38 ARG HG3 H 0.512 0.020 2 421 156 38 ARG HH11 H 6.410 0.020 1 422 156 38 ARG HH12 H 6.410 0.020 1 423 156 38 ARG C C 174.225 0.3 1 424 156 38 ARG CA C 55.882 0.3 1 425 156 38 ARG CB C 30.310 0.3 1 426 156 38 ARG CD C 43.972 0.3 1 427 156 38 ARG CG C 26.767 0.3 1 428 156 38 ARG N N 118.676 0.3 1 429 156 38 ARG NE N 84.707 0.3 1 430 157 39 TYR H H 7.456 0.020 1 431 157 39 TYR HA H 4.995 0.020 1 432 157 39 TYR HB2 H 3.133 0.020 2 433 157 39 TYR HB3 H 3.077 0.020 2 434 157 39 TYR HD1 H 6.915 0.020 1 435 157 39 TYR HD2 H 6.915 0.020 1 436 157 39 TYR HE1 H 6.594 0.020 1 437 157 39 TYR HE2 H 6.594 0.020 1 438 157 39 TYR C C 170.223 0.3 1 439 157 39 TYR CA C 52.470 0.3 1 440 157 39 TYR CB C 34.368 0.3 1 441 157 39 TYR CD1 C 131.356 0.3 1 442 157 39 TYR CE1 C 117.252 0.3 1 443 157 39 TYR N N 121.207 0.3 1 444 158 40 PRO HA H 4.316 0.020 1 445 158 40 PRO HB2 H 1.608 0.020 2 446 158 40 PRO HB3 H 2.362 0.020 2 447 158 40 PRO HD2 H 3.062 0.020 2 448 158 40 PRO HD3 H 3.222 0.020 2 449 158 40 PRO HG2 H 1.546 0.020 2 450 158 40 PRO HG3 H 1.212 0.020 2 451 158 40 PRO C C 172.332 0.3 1 452 158 40 PRO CA C 63.038 0.3 1 453 158 40 PRO CB C 31.650 0.3 1 454 158 40 PRO CD C 49.380 0.3 1 455 158 40 PRO CG C 26.786 0.3 1 456 159 41 ASN H H 8.627 0.020 1 457 159 41 ASN HA H 4.677 0.020 1 458 159 41 ASN HB2 H 3.616 0.020 2 459 159 41 ASN HB3 H 2.417 0.020 2 460 159 41 ASN HD21 H 7.515 0.020 1 461 159 41 ASN HD22 H 6.843 0.020 1 462 159 41 ASN C C 170.303 0.3 1 463 159 41 ASN CA C 51.447 0.3 1 464 159 41 ASN CB C 37.953 0.3 1 465 159 41 ASN N N 116.235 0.3 1 466 159 41 ASN ND2 N 109.380 0.3 1 467 160 42 GLN H H 7.258 0.020 1 468 160 42 GLN HA H 4.523 0.020 1 469 160 42 GLN HB2 H 1.936 0.020 2 470 160 42 GLN HB3 H 1.691 0.020 2 471 160 42 GLN HE21 H 7.929 0.020 1 472 160 42 GLN HE22 H 7.040 0.020 1 473 160 42 GLN HG2 H 2.148 0.020 2 474 160 42 GLN HG3 H 1.998 0.020 2 475 160 42 GLN C C 172.438 0.3 1 476 160 42 GLN CA C 53.698 0.3 1 477 160 42 GLN CB C 32.786 0.3 1 478 160 42 GLN CG C 33.534 0.3 1 479 160 42 GLN N N 114.100 0.3 1 480 160 42 GLN NE2 N 112.814 0.3 1 481 161 43 VAL H H 8.418 0.020 1 482 161 43 VAL HA H 4.905 0.020 1 483 161 43 VAL HB H 2.497 0.020 1 484 161 43 VAL HG1 H 0.864 0.020 2 485 161 43 VAL HG2 H 0.557 0.020 2 486 161 43 VAL C C 171.397 0.3 1 487 161 43 VAL CA C 58.039 0.3 1 488 161 43 VAL CB C 33.007 0.3 1 489 161 43 VAL CG1 C 23.003 0.3 1 490 161 43 VAL CG2 C 17.635 0.3 1 491 161 43 VAL N N 113.221 0.3 1 492 162 44 TYR H H 8.499 0.020 1 493 162 44 TYR HA H 5.562 0.020 1 494 162 44 TYR HB2 H 2.619 0.020 2 495 162 44 TYR HB3 H 2.557 0.020 2 496 162 44 TYR HD1 H 6.939 0.020 1 497 162 44 TYR HD2 H 6.939 0.020 1 498 162 44 TYR HE1 H 6.793 0.020 1 499 162 44 TYR HE2 H 6.793 0.020 1 500 162 44 TYR C C 171.770 0.3 1 501 162 44 TYR CA C 56.686 0.3 1 502 162 44 TYR CB C 40.932 0.3 1 503 162 44 TYR CD1 C 133.136 0.3 1 504 162 44 TYR CE1 C 118.626 0.3 1 505 162 44 TYR N N 122.027 0.3 1 506 163 45 TYR H H 9.051 0.020 1 507 163 45 TYR HA H 5.439 0.020 1 508 163 45 TYR HB2 H 3.096 0.020 2 509 163 45 TYR HB3 H 2.829 0.020 2 510 163 45 TYR HD1 H 6.795 0.020 1 511 163 45 TYR HD2 H 6.795 0.020 1 512 163 45 TYR HE1 H 6.330 0.020 1 513 163 45 TYR HE2 H 6.330 0.020 1 514 163 45 TYR C C 171.090 0.3 1 515 163 45 TYR CA C 55.494 0.3 1 516 163 45 TYR CB C 39.844 0.3 1 517 163 45 TYR CD1 C 133.541 0.3 1 518 163 45 TYR CE1 C 117.557 0.3 1 519 163 45 TYR N N 113.195 0.3 1 520 164 46 ARG H H 9.137 0.020 1 521 164 46 ARG HA H 4.743 0.020 1 522 164 46 ARG HB2 H 1.678 0.020 2 523 164 46 ARG HB3 H 2.003 0.020 2 524 164 46 ARG HD2 H 2.569 0.020 2 525 164 46 ARG HD3 H 2.634 0.020 2 526 164 46 ARG HE H 6.041 0.020 1 527 164 46 ARG HG2 H 1.293 0.020 2 528 164 46 ARG HG3 H 1.018 0.020 2 529 164 46 ARG CA C 52.588 0.3 1 530 164 46 ARG CB C 30.765 0.3 1 531 164 46 ARG CD C 43.025 0.3 1 532 164 46 ARG CG C 27.358 0.3 1 533 164 46 ARG N N 120.127 0.3 1 534 164 46 ARG NE N 83.892 0.3 1 535 165 47 PRO HA H 4.692 0.020 1 536 165 47 PRO HB2 H 2.076 0.020 2 537 165 47 PRO HB3 H 2.558 0.020 2 538 165 47 PRO HD2 H 3.721 0.020 2 539 165 47 PRO HD3 H 3.446 0.020 2 540 165 47 PRO HG2 H 2.186 0.020 2 541 165 47 PRO HG3 H 2.028 0.020 2 542 165 47 PRO C C 174.547 0.3 1 543 165 47 PRO CA C 63.254 0.3 1 544 165 47 PRO CB C 32.245 0.3 1 545 165 47 PRO CD C 50.302 0.3 1 546 165 47 PRO CG C 27.796 0.3 1 547 166 48 VAL H H 8.971 0.020 1 548 166 48 VAL HA H 3.826 0.020 1 549 166 48 VAL HB H 2.118 0.020 1 550 166 48 VAL HG1 H 0.923 0.020 2 551 166 48 VAL HG2 H 0.750 0.020 2 552 166 48 VAL C C 173.558 0.3 1 553 166 48 VAL CA C 64.757 0.3 1 554 166 48 VAL CB C 31.818 0.3 1 555 166 48 VAL CG1 C 19.650 0.3 1 556 166 48 VAL CG2 C 21.476 0.3 1 557 166 48 VAL N N 122.144 0.3 1 558 167 49 ASP H H 8.189 0.020 1 559 167 49 ASP HA H 4.515 0.020 1 560 167 49 ASP HB2 H 2.956 0.020 2 561 167 49 ASP HB3 H 2.689 0.020 2 562 167 49 ASP C C 174.319 0.3 1 563 167 49 ASP CA C 54.019 0.3 1 564 167 49 ASP CB C 38.978 0.3 1 565 167 49 ASP N N 117.388 0.3 1 566 168 50 GLN H H 8.086 0.020 1 567 168 50 GLN HA H 4.099 0.020 1 568 168 50 GLN HB2 H 1.933 0.020 2 569 168 50 GLN HB3 H 1.661 0.020 2 570 168 50 GLN HE21 H 7.641 0.020 1 571 168 50 GLN HE22 H 6.848 0.020 1 572 168 50 GLN HG2 H 2.227 0.020 1 573 168 50 GLN HG3 H 2.227 0.020 1 574 168 50 GLN C C 171.597 0.3 1 575 168 50 GLN CA C 55.194 0.3 1 576 168 50 GLN CB C 26.692 0.3 1 577 168 50 GLN CG C 33.888 0.3 1 578 168 50 GLN N N 117.833 0.3 1 579 168 50 GLN NE2 N 113.053 0.3 1 580 169 51 TYR H H 7.998 0.020 1 581 169 51 TYR HA H 4.772 0.020 1 582 169 51 TYR HB2 H 3.168 0.020 2 583 169 51 TYR HB3 H 2.842 0.020 2 584 169 51 TYR HD1 H 7.183 0.020 1 585 169 51 TYR HD2 H 7.183 0.020 1 586 169 51 TYR HE1 H 6.848 0.020 1 587 169 51 TYR HE2 H 6.848 0.020 1 588 169 51 TYR C C 173.171 0.3 1 589 169 51 TYR CA C 55.951 0.3 1 590 169 51 TYR CB C 42.054 0.3 1 591 169 51 TYR CD1 C 134.412 0.3 1 592 169 51 TYR CE1 C 118.448 0.3 1 593 169 51 TYR N N 117.764 0.3 1 594 170 52 SER H H 9.151 0.020 1 595 170 52 SER HA H 4.851 0.020 1 596 170 52 SER HB2 H 3.966 0.020 1 597 170 52 SER HB3 H 3.966 0.020 1 598 170 52 SER C C 172.104 0.3 1 599 170 52 SER CA C 59.508 0.3 1 600 170 52 SER CB C 62.761 0.3 1 601 170 52 SER N N 114.832 0.3 1 602 171 53 ASN H H 7.512 0.020 1 603 171 53 ASN HA H 4.622 0.020 1 604 171 53 ASN HB2 H 3.265 0.020 2 605 171 53 ASN HB3 H 3.016 0.020 2 606 171 53 ASN HD21 H 7.567 0.020 1 607 171 53 ASN HD22 H 6.711 0.020 1 608 171 53 ASN C C 172.077 0.3 1 609 171 53 ASN CA C 52.135 0.3 1 610 171 53 ASN CB C 39.093 0.3 1 611 171 53 ASN N N 112.508 0.3 1 612 171 53 ASN ND2 N 113.923 0.3 1 613 172 54 GLN H H 8.881 0.020 1 614 172 54 GLN HA H 3.625 0.020 1 615 172 54 GLN HB2 H 2.044 0.020 2 616 172 54 GLN HB3 H 1.920 0.020 2 617 172 54 GLN HE21 H 7.390 0.020 1 618 172 54 GLN HE22 H 6.746 0.020 1 619 172 54 GLN HG2 H 2.207 0.020 2 620 172 54 GLN HG3 H 1.923 0.020 2 621 172 54 GLN C C 174.199 0.3 1 622 172 54 GLN CA C 58.372 0.3 1 623 172 54 GLN CB C 28.433 0.3 1 624 172 54 GLN CG C 33.920 0.3 1 625 172 54 GLN N N 119.174 0.3 1 626 172 54 GLN NE2 N 110.884 0.3 1 627 173 55 ASN H H 8.441 0.020 1 628 173 55 ASN HA H 4.290 0.020 1 629 173 55 ASN HB2 H 2.667 0.020 2 630 173 55 ASN HB3 H 2.762 0.020 2 631 173 55 ASN HD21 H 7.643 0.020 1 632 173 55 ASN HD22 H 7.016 0.020 1 633 173 55 ASN C C 175.493 0.3 1 634 173 55 ASN CA C 56.085 0.3 1 635 173 55 ASN CB C 37.282 0.3 1 636 173 55 ASN N N 119.128 0.3 1 637 173 55 ASN ND2 N 113.119 0.3 1 638 174 56 ASN H H 8.553 0.020 1 639 174 56 ASN HA H 4.472 0.020 1 640 174 56 ASN HB2 H 3.018 0.020 2 641 174 56 ASN HB3 H 2.802 0.020 2 642 174 56 ASN HD21 H 7.414 0.020 1 643 174 56 ASN HD22 H 7.205 0.020 1 644 174 56 ASN C C 174.706 0.3 1 645 174 56 ASN CA C 55.163 0.3 1 646 174 56 ASN CB C 37.485 0.3 1 647 174 56 ASN N N 119.197 0.3 1 648 174 56 ASN ND2 N 111.599 0.3 1 649 175 57 ALA H H 7.191 0.020 1 650 175 57 ALA HA H 2.131 0.020 1 651 175 57 ALA HB H 1.058 0.020 1 652 175 57 ALA C C 176.587 0.3 1 653 175 57 ALA CA C 54.158 0.3 1 654 175 57 ALA CB C 19.011 0.3 1 655 175 57 ALA N N 126.096 0.3 1 656 176 58 VAL H H 8.383 0.020 1 657 176 58 VAL HA H 3.570 0.020 1 658 176 58 VAL HB H 2.204 0.020 1 659 176 58 VAL HG1 H 0.990 0.020 2 660 176 58 VAL HG2 H 1.069 0.020 2 661 176 58 VAL C C 174.839 0.3 1 662 176 58 VAL CA C 66.953 0.3 1 663 176 58 VAL CB C 31.527 0.3 1 664 176 58 VAL CG1 C 21.245 0.3 1 665 176 58 VAL CG2 C 24.348 0.3 1 666 176 58 VAL N N 118.288 0.3 1 667 177 59 HIS H H 8.190 0.020 1 668 177 59 HIS HA H 4.335 0.020 1 669 177 59 HIS HB2 H 3.338 0.020 1 670 177 59 HIS HB3 H 3.338 0.020 1 671 177 59 HIS HD2 H 7.365 0.020 1 672 177 59 HIS HE1 H 8.648 0.020 1 673 177 59 HIS C C 174.119 0.3 1 674 177 59 HIS CA C 58.764 0.3 1 675 177 59 HIS CB C 27.725 0.3 1 676 177 59 HIS CD2 C 120.316 0.3 1 677 177 59 HIS CE1 C 136.722 0.3 1 678 177 59 HIS N N 115.921 0.3 1 679 178 60 ASP H H 7.881 0.020 1 680 178 60 ASP HA H 4.760 0.020 1 681 178 60 ASP HB2 H 3.003 0.020 2 682 178 60 ASP HB3 H 2.995 0.020 2 683 178 60 ASP C C 173.251 0.3 1 684 178 60 ASP CA C 57.190 0.3 1 685 178 60 ASP CB C 41.147 0.3 1 686 178 60 ASP N N 119.225 0.3 1 687 179 61 CYS H H 8.176 0.020 1 688 179 61 CYS HA H 4.910 0.020 1 689 179 61 CYS HB2 H 3.849 0.020 2 690 179 61 CYS HB3 H 3.803 0.020 2 691 179 61 CYS C C 174.854 0.3 1 692 179 61 CYS CA C 58.592 0.3 1 693 179 61 CYS CB C 40.589 0.3 1 694 179 61 CYS N N 120.243 0.3 1 695 180 62 VAL H H 8.869 0.020 1 696 180 62 VAL HA H 3.696 0.020 1 697 180 62 VAL HB H 2.302 0.020 1 698 180 62 VAL HG1 H 1.006 0.020 2 699 180 62 VAL HG2 H 1.104 0.020 2 700 180 62 VAL C C 174.572 0.3 1 701 180 62 VAL CA C 65.666 0.3 1 702 180 62 VAL CB C 31.481 0.3 1 703 180 62 VAL CG1 C 21.633 0.3 1 704 180 62 VAL CG2 C 22.584 0.3 1 705 180 62 VAL N N 124.646 0.3 1 706 181 63 ASN H H 7.940 0.020 1 707 181 63 ASN HA H 4.372 0.020 1 708 181 63 ASN HB2 H 2.968 0.020 2 709 181 63 ASN HB3 H 2.897 0.020 2 710 181 63 ASN HD21 H 7.762 0.020 1 711 181 63 ASN HD22 H 6.832 0.020 1 712 181 63 ASN C C 176.160 0.3 1 713 181 63 ASN CA C 55.922 0.3 1 714 181 63 ASN CB C 38.283 0.3 1 715 181 63 ASN N N 117.012 0.3 1 716 181 63 ASN ND2 N 111.921 0.3 1 717 182 64 ILE H H 9.131 0.020 1 718 182 64 ILE HA H 3.817 0.020 1 719 182 64 ILE HB H 1.746 0.020 1 720 182 64 ILE HD1 H 0.481 0.020 1 721 182 64 ILE HG12 H 0.889 0.020 1 722 182 64 ILE HG13 H 0.889 0.020 1 723 182 64 ILE HG2 H 0.270 0.020 1 724 182 64 ILE C C 175.401 0.3 1 725 182 64 ILE CA C 61.476 0.3 1 726 182 64 ILE CB C 35.548 0.3 1 727 182 64 ILE CD1 C 10.014 0.3 1 728 182 64 ILE CG1 C 26.891 0.3 1 729 182 64 ILE CG2 C 17.565 0.3 1 730 182 64 ILE N N 120.424 0.3 1 731 183 65 THR H H 8.284 0.020 1 732 183 65 THR HA H 4.105 0.020 1 733 183 65 THR HB H 4.551 0.020 1 734 183 65 THR HG1 H 6.352 0.020 1 735 183 65 THR HG2 H 1.464 0.020 1 736 183 65 THR C C 175.160 0.3 1 737 183 65 THR CA C 68.147 0.3 1 738 183 65 THR CB C 67.884 0.3 1 739 183 65 THR CG2 C 21.739 0.3 1 740 183 65 THR N N 118.605 0.3 1 741 184 66 ILE H H 8.595 0.020 1 742 184 66 ILE HA H 3.652 0.020 1 743 184 66 ILE HB H 2.055 0.020 1 744 184 66 ILE HD1 H 0.792 0.020 1 745 184 66 ILE HG12 H 1.952 0.020 2 746 184 66 ILE HG13 H 1.012 0.020 2 747 184 66 ILE HG2 H 0.891 0.020 1 748 184 66 ILE C C 176.174 0.3 1 749 184 66 ILE CA C 66.091 0.3 1 750 184 66 ILE CB C 36.854 0.3 1 751 184 66 ILE CD1 C 13.589 0.3 1 752 184 66 ILE CG1 C 30.178 0.3 1 753 184 66 ILE CG2 C 16.253 0.3 1 754 184 66 ILE N N 121.410 0.3 1 755 185 67 LYS H H 8.346 0.020 1 756 185 67 LYS HA H 4.092 0.020 1 757 185 67 LYS HB2 H 1.921 0.020 2 758 185 67 LYS HB3 H 1.995 0.020 2 759 185 67 LYS HD2 H 1.652 0.020 1 760 185 67 LYS HD3 H 1.652 0.020 1 761 185 67 LYS HE2 H 2.940 0.020 1 762 185 67 LYS HE3 H 2.940 0.020 1 763 185 67 LYS HG2 H 1.518 0.020 2 764 185 67 LYS HG3 H 1.420 0.020 2 765 185 67 LYS C C 176.414 0.3 1 766 185 67 LYS CA C 59.683 0.3 1 767 185 67 LYS CB C 31.817 0.3 1 768 185 67 LYS CD C 28.793 0.3 1 769 185 67 LYS CE C 41.529 0.3 1 770 185 67 LYS CG C 24.510 0.3 1 771 185 67 LYS N N 123.434 0.3 1 772 186 68 GLN H H 8.471 0.020 1 773 186 68 GLN HA H 4.100 0.020 1 774 186 68 GLN HB2 H 2.076 0.020 2 775 186 68 GLN HB3 H 1.960 0.020 2 776 186 68 GLN HE21 H 6.971 0.020 1 777 186 68 GLN HE22 H 6.750 0.020 1 778 186 68 GLN HG2 H 2.186 0.020 2 779 186 68 GLN HG3 H 1.837 0.020 2 780 186 68 GLN C C 175.614 0.3 1 781 186 68 GLN CA C 57.426 0.3 1 782 186 68 GLN CB C 27.383 0.3 1 783 186 68 GLN CG C 32.974 0.3 1 784 186 68 GLN N N 116.823 0.3 1 785 186 68 GLN NE2 N 110.227 0.3 1 786 187 69 HIS H H 8.285 0.020 1 787 187 69 HIS HA H 4.624 0.020 1 788 187 69 HIS HB2 H 3.396 0.020 2 789 187 69 HIS HB3 H 3.251 0.020 2 790 187 69 HIS HD2 H 7.053 0.020 1 791 187 69 HIS HE1 H 8.133 0.020 1 792 187 69 HIS C C 174.787 0.3 1 793 187 69 HIS CA C 58.522 0.3 1 794 187 69 HIS CB C 30.675 0.3 1 795 187 69 HIS CD2 C 118.275 0.3 1 796 187 69 HIS CE1 C 139.108 0.3 1 797 187 69 HIS N N 118.730 0.3 1 798 188 70 THR H H 8.436 0.020 1 799 188 70 THR HA H 4.160 0.020 1 800 188 70 THR HB H 4.487 0.020 1 801 188 70 THR HG2 H 1.267 0.020 1 802 188 70 THR C C 173.426 0.3 1 803 188 70 THR CA C 65.266 0.3 1 804 188 70 THR CB C 68.542 0.3 1 805 188 70 THR CG2 C 20.873 0.3 1 806 188 70 THR N N 114.399 0.3 1 807 189 71 VAL H H 8.078 0.020 1 808 189 71 VAL HA H 3.980 0.020 1 809 189 71 VAL HB H 2.251 0.020 1 810 189 71 VAL HG1 H 0.985 0.020 2 811 189 71 VAL HG2 H 1.071 0.020 2 812 189 71 VAL C C 175.414 0.3 1 813 189 71 VAL CA C 64.971 0.3 1 814 189 71 VAL CB C 31.507 0.3 1 815 189 71 VAL CG1 C 20.563 0.3 1 816 189 71 VAL CG2 C 21.358 0.3 1 817 189 71 VAL N N 122.497 0.3 1 818 190 72 THR H H 8.128 0.020 1 819 190 72 THR HA H 4.230 0.020 1 820 190 72 THR HB H 4.307 0.020 1 821 190 72 THR HG2 H 1.315 0.020 1 822 190 72 THR C C 173.585 0.3 1 823 190 72 THR CA C 63.947 0.3 1 824 190 72 THR CB C 68.856 0.3 1 825 190 72 THR CG2 C 21.317 0.3 1 826 190 72 THR N N 114.782 0.3 1 827 191 73 THR H H 8.033 0.020 1 828 191 73 THR HA H 4.195 0.020 1 829 191 73 THR HB H 4.167 0.020 1 830 191 73 THR HG2 H 1.001 0.020 1 831 191 73 THR C C 173.785 0.3 1 832 191 73 THR CA C 63.793 0.3 1 833 191 73 THR CB C 68.607 0.3 1 834 191 73 THR CG2 C 21.028 0.3 1 835 191 73 THR N N 114.677 0.3 1 836 192 74 THR H H 8.260 0.020 1 837 192 74 THR HA H 4.397 0.020 1 838 192 74 THR HB H 4.386 0.020 1 839 192 74 THR HG2 H 1.322 0.020 1 840 192 74 THR C C 174.400 0.3 1 841 192 74 THR CA C 64.077 0.3 1 842 192 74 THR CB C 68.711 0.3 1 843 192 74 THR CG2 C 21.143 0.3 1 844 192 74 THR N N 117.368 0.3 1 845 193 75 THR H H 7.902 0.020 1 846 193 75 THR HA H 4.251 0.020 1 847 193 75 THR HB H 4.316 0.020 1 848 193 75 THR HG2 H 1.301 0.020 1 849 193 75 THR C C 172.384 0.3 1 850 193 75 THR CA C 63.505 0.3 1 851 193 75 THR CB C 68.746 0.3 1 852 193 75 THR CG2 C 21.253 0.3 1 853 193 75 THR N N 116.012 0.3 1 854 194 76 LYS H H 7.771 0.020 1 855 194 76 LYS HA H 4.395 0.020 1 856 194 76 LYS HB2 H 1.988 0.020 2 857 194 76 LYS HB3 H 1.846 0.020 2 858 194 76 LYS HD2 H 1.681 0.020 1 859 194 76 LYS HD3 H 1.681 0.020 1 860 194 76 LYS HE2 H 2.981 0.020 1 861 194 76 LYS HE3 H 2.981 0.020 1 862 194 76 LYS HG2 H 1.506 0.020 2 863 194 76 LYS HG3 H 1.471 0.020 2 864 194 76 LYS C C 174.252 0.3 1 865 194 76 LYS CA C 55.900 0.3 1 866 194 76 LYS CB C 32.008 0.3 1 867 194 76 LYS CD C 28.707 0.3 1 868 194 76 LYS CE C 41.632 0.3 1 869 194 76 LYS CG C 24.382 0.3 1 870 194 76 LYS N N 120.777 0.3 1 871 195 77 GLY H H 8.112 0.020 1 872 195 77 GLY HA2 H 4.119 0.020 1 873 195 77 GLY C C 171.531 0.3 1 874 195 77 GLY CA C 45.012 0.3 1 875 195 77 GLY N N 108.674 0.3 1 876 196 78 GLU H H 7.649 0.020 1 877 196 78 GLU HA H 4.276 0.020 1 878 196 78 GLU HB2 H 1.654 0.020 1 879 196 78 GLU HB3 H 1.654 0.020 1 880 196 78 GLU HG2 H 1.996 0.020 2 881 196 78 GLU HG3 H 2.112 0.020 2 882 196 78 GLU C C 172.425 0.3 1 883 196 78 GLU CA C 55.178 0.3 1 884 196 78 GLU CB C 30.280 0.3 1 885 196 78 GLU CG C 34.899 0.3 1 886 196 78 GLU N N 120.037 0.3 1 887 197 79 ASN H H 8.532 0.020 1 888 197 79 ASN HA H 4.675 0.020 1 889 197 79 ASN HB2 H 2.682 0.020 2 890 197 79 ASN HB3 H 2.624 0.020 2 891 197 79 ASN HD21 H 7.596 0.020 1 892 197 79 ASN HD22 H 6.861 0.020 1 893 197 79 ASN C C 171.251 0.3 1 894 197 79 ASN CA C 52.383 0.3 1 895 197 79 ASN CB C 40.193 0.3 1 896 197 79 ASN N N 119.822 0.3 1 897 197 79 ASN ND2 N 113.324 0.3 1 898 198 80 PHE H H 8.739 0.020 1 899 198 80 PHE HA H 5.313 0.020 1 900 198 80 PHE HB2 H 2.968 0.020 2 901 198 80 PHE HB3 H 3.150 0.020 2 902 198 80 PHE HD1 H 7.370 0.020 1 903 198 80 PHE HD2 H 7.370 0.020 1 904 198 80 PHE HE1 H 7.473 0.020 1 905 198 80 PHE HE2 H 7.473 0.020 1 906 198 80 PHE C C 174.040 0.3 1 907 198 80 PHE CA C 56.316 0.3 1 908 198 80 PHE CB C 39.548 0.3 1 909 198 80 PHE CD1 C 131.693 0.3 1 910 198 80 PHE CE1 C 130.336 0.3 1 911 198 80 PHE N N 121.446 0.3 1 912 199 81 THR H H 9.598 0.020 1 913 199 81 THR HA H 4.650 0.020 1 914 199 81 THR HB H 4.861 0.020 1 915 199 81 THR HG2 H 1.465 0.020 1 916 199 81 THR C C 172.865 0.3 1 917 199 81 THR CA C 60.003 0.3 1 918 199 81 THR CB C 71.436 0.3 1 919 199 81 THR CG2 C 21.292 0.3 1 920 199 81 THR N N 116.099 0.3 1 921 200 82 GLU H H 9.189 0.020 1 922 200 82 GLU HA H 4.112 0.020 1 923 200 82 GLU HB2 H 2.159 0.020 2 924 200 82 GLU HB3 H 2.098 0.020 2 925 200 82 GLU HG2 H 2.450 0.020 2 926 200 82 GLU HG3 H 2.390 0.020 2 927 200 82 GLU C C 176.441 0.3 1 928 200 82 GLU CA C 59.317 0.3 1 929 200 82 GLU CB C 28.335 0.3 1 930 200 82 GLU CG C 35.140 0.3 1 931 200 82 GLU N N 119.991 0.3 1 932 201 83 THR H H 8.014 0.020 1 933 201 83 THR HA H 3.842 0.020 1 934 201 83 THR HB H 3.821 0.020 1 935 201 83 THR HG2 H 0.802 0.020 1 936 201 83 THR C C 173.092 0.3 1 937 201 83 THR CA C 66.421 0.3 1 938 201 83 THR CB C 68.254 0.3 1 939 201 83 THR CG2 C 20.899 0.3 1 940 201 83 THR N N 116.451 0.3 1 941 202 84 ASP H H 7.562 0.020 1 942 202 84 ASP HA H 4.648 0.020 1 943 202 84 ASP HB2 H 3.432 0.020 2 944 202 84 ASP HB3 H 2.724 0.020 2 945 202 84 ASP C C 175.027 0.3 1 946 202 84 ASP CA C 57.619 0.3 1 947 202 84 ASP CB C 41.325 0.3 1 948 202 84 ASP N N 119.942 0.3 1 949 203 85 VAL H H 8.311 0.020 1 950 203 85 VAL HA H 3.305 0.020 1 951 203 85 VAL HB H 2.127 0.020 1 952 203 85 VAL HG1 H 0.984 0.020 2 953 203 85 VAL HG2 H 0.912 0.020 2 954 203 85 VAL C C 174.960 0.3 1 955 203 85 VAL CA C 67.435 0.3 1 956 203 85 VAL CB C 31.062 0.3 1 957 203 85 VAL CG1 C 22.255 0.3 1 958 203 85 VAL CG2 C 20.791 0.3 1 959 203 85 VAL N N 120.018 0.3 1 960 204 86 LYS H H 7.849 0.020 1 961 204 86 LYS HA H 4.076 0.020 1 962 204 86 LYS HB2 H 2.005 0.020 1 963 204 86 LYS HB3 H 2.005 0.020 1 964 204 86 LYS HD2 H 1.701 0.020 1 965 204 86 LYS HD3 H 1.701 0.020 1 966 204 86 LYS HE2 H 2.968 0.020 1 967 204 86 LYS HE3 H 2.968 0.020 1 968 204 86 LYS HG2 H 1.643 0.020 2 969 204 86 LYS HG3 H 1.464 0.020 2 970 204 86 LYS C C 177.549 0.3 1 971 204 86 LYS CA C 58.935 0.3 1 972 204 86 LYS CB C 31.604 0.3 1 973 204 86 LYS CD C 28.774 0.3 1 974 204 86 LYS CE C 41.594 0.3 1 975 204 86 LYS CG C 24.743 0.3 1 976 204 86 LYS N N 119.225 0.3 1 977 205 87 MET H H 8.234 0.020 1 978 205 87 MET HA H 4.197 0.020 1 979 205 87 MET HB2 H 2.393 0.020 2 980 205 87 MET HB3 H 1.965 0.020 2 981 205 87 MET HE H 1.545 0.020 1 982 205 87 MET HG2 H 3.052 0.020 2 983 205 87 MET HG3 H 2.381 0.020 2 984 205 87 MET C C 175.681 0.3 1 985 205 87 MET CA C 59.365 0.3 1 986 205 87 MET CB C 32.431 0.3 1 987 205 87 MET CE C 17.754 0.3 1 988 205 87 MET CG C 33.584 0.3 1 989 205 87 MET N N 118.625 0.3 1 990 206 88 MET H H 8.754 0.020 1 991 206 88 MET HA H 3.591 0.020 1 992 206 88 MET HB2 H 2.079 0.020 2 993 206 88 MET HB3 H 2.058 0.020 2 994 206 88 MET HE H 1.330 0.020 1 995 206 88 MET HG2 H 1.938 0.020 2 996 206 88 MET HG3 H 1.545 0.020 2 997 206 88 MET C C 175.174 0.3 1 998 206 88 MET CA C 59.679 0.3 1 999 206 88 MET CB C 33.533 0.3 1 1000 206 88 MET CE C 15.605 0.3 1 1001 206 88 MET CG C 32.706 0.3 1 1002 206 88 MET N N 118.090 0.3 1 1003 207 89 GLU H H 8.608 0.020 1 1004 207 89 GLU HA H 3.685 0.020 1 1005 207 89 GLU HB2 H 2.227 0.020 2 1006 207 89 GLU HB3 H 2.038 0.020 2 1007 207 89 GLU HG2 H 2.607 0.020 2 1008 207 89 GLU HG3 H 2.204 0.020 2 1009 207 89 GLU C C 175.868 0.3 1 1010 207 89 GLU CA C 59.954 0.3 1 1011 207 89 GLU CB C 27.804 0.3 1 1012 207 89 GLU CG C 35.000 0.3 1 1013 207 89 GLU N N 118.517 0.3 1 1014 208 90 ARG H H 7.288 0.020 1 1015 208 90 ARG HA H 4.215 0.020 1 1016 208 90 ARG HB2 H 1.936 0.020 2 1017 208 90 ARG HB3 H 2.076 0.020 2 1018 208 90 ARG HD2 H 3.220 0.020 2 1019 208 90 ARG HD3 H 3.119 0.020 2 1020 208 90 ARG HE H 7.296 0.020 1 1021 208 90 ARG HG2 H 1.787 0.020 2 1022 208 90 ARG HG3 H 1.703 0.020 2 1023 208 90 ARG HH11 H 6.779 0.020 1 1024 208 90 ARG HH12 H 6.779 0.020 1 1025 208 90 ARG HH21 H 6.537 0.020 1 1026 208 90 ARG HH22 H 6.537 0.020 1 1027 208 90 ARG C C 176.508 0.3 1 1028 208 90 ARG CA C 58.024 0.3 1 1029 208 90 ARG CB C 29.559 0.3 1 1030 208 90 ARG CD C 42.197 0.3 1 1031 208 90 ARG CG C 26.409 0.3 1 1032 208 90 ARG N N 117.048 0.3 1 1033 208 90 ARG NE N 83.307 0.3 1 1034 209 91 VAL H H 8.290 0.020 1 1035 209 91 VAL HA H 3.770 0.020 1 1036 209 91 VAL HB H 2.266 0.020 1 1037 209 91 VAL HG1 H 1.281 0.020 2 1038 209 91 VAL HG2 H 1.244 0.020 2 1039 209 91 VAL C C 174.560 0.3 1 1040 209 91 VAL CA C 65.346 0.3 1 1041 209 91 VAL CB C 31.900 0.3 1 1042 209 91 VAL CG1 C 23.343 0.3 1 1043 209 91 VAL CG2 C 20.381 0.3 1 1044 209 91 VAL N N 118.909 0.3 1 1045 210 92 VAL H H 9.233 0.020 1 1046 210 92 VAL HA H 3.660 0.020 1 1047 210 92 VAL HB H 2.260 0.020 1 1048 210 92 VAL HG1 H 1.244 0.020 2 1049 210 92 VAL HG2 H 0.948 0.020 2 1050 210 92 VAL C C 174.854 0.3 1 1051 210 92 VAL CA C 65.825 0.3 1 1052 210 92 VAL CB C 30.495 0.3 1 1053 210 92 VAL CG1 C 24.537 0.3 1 1054 210 92 VAL CG2 C 23.669 0.3 1 1055 210 92 VAL N N 120.898 0.3 1 1056 211 93 GLU H H 7.871 0.020 1 1057 211 93 GLU HA H 3.576 0.020 1 1058 211 93 GLU HB2 H 2.259 0.020 2 1059 211 93 GLU HB3 H 2.127 0.020 2 1060 211 93 GLU HG2 H 2.146 0.020 1 1061 211 93 GLU HG3 H 2.146 0.020 1 1062 211 93 GLU C C 174.760 0.3 1 1063 211 93 GLU CA C 60.709 0.3 1 1064 211 93 GLU CB C 28.240 0.3 1 1065 211 93 GLU CG C 35.051 0.3 1 1066 211 93 GLU N N 120.539 0.3 1 1067 212 94 GLN H H 7.087 0.020 1 1068 212 94 GLN HA H 3.990 0.020 1 1069 212 94 GLN HB2 H 2.140 0.020 2 1070 212 94 GLN HB3 H 2.128 0.020 2 1071 212 94 GLN HE21 H 7.445 0.020 1 1072 212 94 GLN HE22 H 6.797 0.020 1 1073 212 94 GLN HG2 H 2.451 0.020 2 1074 212 94 GLN HG3 H 2.375 0.020 2 1075 212 94 GLN C C 176.401 0.3 1 1076 212 94 GLN CA C 58.497 0.3 1 1077 212 94 GLN CB C 27.439 0.3 1 1078 212 94 GLN CG C 33.411 0.3 1 1079 212 94 GLN N N 115.613 0.3 1 1080 212 94 GLN NE2 N 111.693 0.3 1 1081 213 95 MET H H 8.166 0.020 1 1082 213 95 MET HA H 4.006 0.020 1 1083 213 95 MET HB2 H 2.119 0.020 2 1084 213 95 MET HB3 H 2.024 0.020 2 1085 213 95 MET HE H 1.868 0.020 1 1086 213 95 MET HG2 H 2.772 0.020 2 1087 213 95 MET HG3 H 2.450 0.020 2 1088 213 95 MET C C 175.601 0.3 1 1089 213 95 MET CA C 59.543 0.3 1 1090 213 95 MET CB C 33.805 0.3 1 1091 213 95 MET CE C 16.201 0.3 1 1092 213 95 MET CG C 31.823 0.3 1 1093 213 95 MET N N 119.772 0.3 1 1094 214 96 CYS H H 9.121 0.020 1 1095 214 96 CYS HA H 4.083 0.020 1 1096 214 96 CYS HB2 H 3.536 0.020 2 1097 214 96 CYS HB3 H 2.814 0.020 2 1098 214 96 CYS C C 173.332 0.3 1 1099 214 96 CYS CA C 60.166 0.3 1 1100 214 96 CYS CB C 42.625 0.3 1 1101 214 96 CYS N N 119.421 0.3 1 1102 215 97 VAL H H 8.309 0.020 1 1103 215 97 VAL HA H 3.568 0.020 1 1104 215 97 VAL HB H 2.220 0.020 1 1105 215 97 VAL HG1 H 1.142 0.020 2 1106 215 97 VAL HG2 H 0.919 0.020 2 1107 215 97 VAL C C 176.174 0.3 1 1108 215 97 VAL CA C 67.347 0.3 1 1109 215 97 VAL CB C 31.282 0.3 1 1110 215 97 VAL CG1 C 23.450 0.3 1 1111 215 97 VAL CG2 C 20.703 0.3 1 1112 215 97 VAL N N 120.609 0.3 1 1113 216 98 THR H H 8.223 0.020 1 1114 216 98 THR HA H 3.858 0.020 1 1115 216 98 THR HB H 4.222 0.020 1 1116 216 98 THR HG2 H 1.211 0.020 1 1117 216 98 THR C C 173.358 0.3 1 1118 216 98 THR CA C 66.417 0.3 1 1119 216 98 THR CB C 67.966 0.3 1 1120 216 98 THR CG2 C 21.595 0.3 1 1121 216 98 THR N N 117.279 0.3 1 1122 217 99 GLN H H 8.410 0.020 1 1123 217 99 GLN HA H 3.490 0.020 1 1124 217 99 GLN HB2 H 1.842 0.020 2 1125 217 99 GLN HB3 H 1.525 0.020 2 1126 217 99 GLN HE21 H 7.183 0.020 1 1127 217 99 GLN HE22 H 6.419 0.020 1 1128 217 99 GLN HG2 H 0.972 0.020 2 1129 217 99 GLN HG3 H 0.834 0.020 2 1130 217 99 GLN C C 175.427 0.3 1 1131 217 99 GLN CA C 57.951 0.3 1 1132 217 99 GLN CB C 27.165 0.3 1 1133 217 99 GLN CG C 31.057 0.3 1 1134 217 99 GLN N N 122.601 0.3 1 1135 217 99 GLN NE2 N 114.398 0.3 1 1136 218 100 TYR H H 7.898 0.020 1 1137 218 100 TYR HA H 4.210 0.020 1 1138 218 100 TYR HB2 H 3.132 0.020 2 1139 218 100 TYR HB3 H 2.744 0.020 2 1140 218 100 TYR HD1 H 7.203 0.020 1 1141 218 100 TYR HD2 H 7.203 0.020 1 1142 218 100 TYR HE1 H 6.794 0.020 1 1143 218 100 TYR HE2 H 6.794 0.020 1 1144 218 100 TYR C C 176.281 0.3 1 1145 218 100 TYR CA C 62.236 0.3 1 1146 218 100 TYR CB C 37.021 0.3 1 1147 218 100 TYR CD1 C 132.993 0.3 1 1148 218 100 TYR CE1 C 117.263 0.3 1 1149 218 100 TYR N N 116.489 0.3 1 1150 219 101 GLN H H 8.318 0.020 1 1151 219 101 GLN HA H 4.200 0.020 1 1152 219 101 GLN HB2 H 2.291 0.020 2 1153 219 101 GLN HB3 H 2.149 0.020 2 1154 219 101 GLN HE21 H 7.476 0.020 1 1155 219 101 GLN HE22 H 6.829 0.020 1 1156 219 101 GLN HG2 H 2.598 0.020 2 1157 219 101 GLN HG3 H 2.406 0.020 2 1158 219 101 GLN C C 175.801 0.3 1 1159 219 101 GLN CA C 58.027 0.3 1 1160 219 101 GLN CB C 27.703 0.3 1 1161 219 101 GLN CG C 33.625 0.3 1 1162 219 101 GLN N N 121.115 0.3 1 1163 219 101 GLN NE2 N 111.388 0.3 1 1164 220 102 LYS H H 8.123 0.020 1 1165 220 102 LYS HA H 4.106 0.020 1 1166 220 102 LYS HB2 H 1.907 0.020 2 1167 220 102 LYS HB3 H 1.864 0.020 2 1168 220 102 LYS HD2 H 1.592 0.020 1 1169 220 102 LYS HD3 H 1.592 0.020 1 1170 220 102 LYS HE2 H 2.894 0.020 1 1171 220 102 LYS HE3 H 2.894 0.020 1 1172 220 102 LYS HG2 H 1.571 0.020 2 1173 220 102 LYS HG3 H 1.418 0.020 2 1174 220 102 LYS C C 176.121 0.3 1 1175 220 102 LYS CA C 58.138 0.3 1 1176 220 102 LYS CB C 31.758 0.3 1 1177 220 102 LYS CD C 28.892 0.3 1 1178 220 102 LYS CE C 41.552 0.3 1 1179 220 102 LYS CG C 24.555 0.3 1 1180 220 102 LYS N N 120.068 0.3 1 1181 221 103 GLU H H 8.004 0.020 1 1182 221 103 GLU HA H 4.273 0.020 1 1183 221 103 GLU HB2 H 2.317 0.020 2 1184 221 103 GLU HB3 H 2.120 0.020 2 1185 221 103 GLU HG2 H 2.433 0.020 1 1186 221 103 GLU HG3 H 2.433 0.020 1 1187 221 103 GLU C C 175.040 0.3 1 1188 221 103 GLU CA C 56.998 0.3 1 1189 221 103 GLU CB C 29.126 0.3 1 1190 221 103 GLU CG C 35.021 0.3 1 1191 221 103 GLU N N 118.851 0.3 1 1192 222 104 SER H H 8.145 0.020 1 1193 222 104 SER HA H 4.438 0.020 1 1194 222 104 SER HB2 H 4.050 0.020 2 1195 222 104 SER HB3 H 4.030 0.020 2 1196 222 104 SER C C 172.732 0.3 1 1197 222 104 SER CA C 59.338 0.3 1 1198 222 104 SER CB C 63.095 0.3 1 1199 222 104 SER N N 115.328 0.3 1 1200 223 105 GLN H H 8.153 0.020 1 1201 223 105 GLN HA H 4.275 0.020 1 1202 223 105 GLN HB2 H 2.164 0.020 2 1203 223 105 GLN HB3 H 2.106 0.020 2 1204 223 105 GLN HE21 H 7.628 0.020 1 1205 223 105 GLN HE22 H 6.893 0.020 1 1206 223 105 GLN HG2 H 2.439 0.020 2 1207 223 105 GLN HG3 H 2.469 0.020 2 1208 223 105 GLN C C 173.706 0.3 1 1209 223 105 GLN CA C 56.346 0.3 1 1210 223 105 GLN CB C 28.459 0.3 1 1211 223 105 GLN CG C 33.434 0.3 1 1212 223 105 GLN N N 121.292 0.3 1 1213 223 105 GLN NE2 N 112.707 0.3 1 1214 224 106 ALA H H 8.028 0.020 1 1215 224 106 ALA HA H 4.259 0.020 1 1216 224 106 ALA HB H 1.371 0.020 1 1217 224 106 ALA C C 175.414 0.3 1 1218 224 106 ALA CA C 52.835 0.3 1 1219 224 106 ALA CB C 18.409 0.3 1 1220 224 106 ALA N N 122.782 0.3 1 1221 225 107 TYR H H 7.996 0.020 1 1222 225 107 TYR HA H 4.426 0.020 1 1223 225 107 TYR HB2 H 2.983 0.020 1 1224 225 107 TYR HB3 H 2.983 0.020 1 1225 225 107 TYR HD1 H 6.961 0.020 1 1226 225 107 TYR HD2 H 6.961 0.020 1 1227 225 107 TYR HE1 H 6.788 0.020 1 1228 225 107 TYR HE2 H 6.788 0.020 1 1229 225 107 TYR C C 173.639 0.3 1 1230 225 107 TYR CA C 58.218 0.3 1 1231 225 107 TYR CB C 38.221 0.3 1 1232 225 107 TYR CD1 C 133.371 0.3 1 1233 225 107 TYR CE1 C 118.329 0.3 1 1234 225 107 TYR N N 118.874 0.3 1 1235 226 108 TYR H H 8.062 0.020 1 1236 226 108 TYR HA H 4.417 0.020 1 1237 226 108 TYR HB2 H 3.069 0.020 2 1238 226 108 TYR HB3 H 2.981 0.020 2 1239 226 108 TYR HD1 H 7.173 0.020 1 1240 226 108 TYR HD2 H 7.173 0.020 1 1241 226 108 TYR HE1 H 6.863 0.020 1 1242 226 108 TYR HE2 H 6.863 0.020 1 1243 226 108 TYR C C 173.266 0.3 1 1244 226 108 TYR CA C 58.202 0.3 1 1245 226 108 TYR CB C 38.245 0.3 1 1246 226 108 TYR CD1 C 133.542 0.3 1 1247 226 108 TYR CE1 C 118.439 0.3 1 1248 226 108 TYR N N 121.413 0.3 1 1249 227 109 ASP H H 8.297 0.020 1 1250 227 109 ASP HA H 4.512 0.020 1 1251 227 109 ASP HB2 H 2.729 0.020 1 1252 227 109 ASP HB3 H 2.729 0.020 1 1253 227 109 ASP C C 174.092 0.3 1 1254 227 109 ASP CA C 53.895 0.3 1 1255 227 109 ASP CB C 40.161 0.3 1 1256 227 109 ASP N N 122.060 0.3 1 1257 228 110 GLY H H 7.872 0.020 1 1258 228 110 GLY HA2 H 3.925 0.020 1 1259 228 110 GLY C C 171.730 0.3 1 1260 228 110 GLY CA C 45.147 0.3 1 1261 228 110 GLY N N 108.400 0.3 1 1262 229 111 ARG H H 7.968 0.020 1 1263 229 111 ARG HA H 4.328 0.020 1 1264 229 111 ARG HB2 H 1.767 0.020 2 1265 229 111 ARG HB3 H 1.856 0.020 2 1266 229 111 ARG HD2 H 3.126 0.020 1 1267 229 111 ARG HD3 H 3.126 0.020 1 1268 229 111 ARG HE H 7.324 0.020 1 1269 229 111 ARG HG2 H 1.597 0.020 2 1270 229 111 ARG HG3 H 1.585 0.020 2 1271 229 111 ARG C C 173.665 0.3 1 1272 229 111 ARG CA C 55.717 0.3 1 1273 229 111 ARG CB C 30.203 0.3 1 1274 229 111 ARG CD C 42.912 0.3 1 1275 229 111 ARG CG C 26.505 0.3 1 1276 229 111 ARG N N 120.099 0.3 1 1277 229 111 ARG NE N 84.692 0.3 1 1278 230 112 ARG H H 8.367 0.020 1 1279 230 112 ARG HA H 4.409 0.020 1 1280 230 112 ARG HB2 H 1.784 0.020 2 1281 230 112 ARG HB3 H 1.903 0.020 2 1282 230 112 ARG HD2 H 3.181 0.020 1 1283 230 112 ARG HD3 H 3.181 0.020 1 1284 230 112 ARG HE H 7.228 0.020 1 1285 230 112 ARG HG2 H 1.646 0.020 2 1286 230 112 ARG HG3 H 1.611 0.020 2 1287 230 112 ARG C C 173.678 0.3 1 1288 230 112 ARG CA C 55.566 0.3 1 1289 230 112 ARG CB C 30.587 0.3 1 1290 230 112 ARG CD C 42.855 0.3 1 1291 230 112 ARG CG C 26.654 0.3 1 1292 230 112 ARG N N 122.213 0.3 1 1293 230 112 ARG NE N 84.692 0.3 1 1294 231 113 SER H H 8.467 0.020 1 1295 231 113 SER HA H 4.515 0.020 1 1296 231 113 SER HB2 H 3.924 0.020 2 1297 231 113 SER HB3 H 3.887 0.020 2 1298 231 113 SER C C 171.050 0.3 1 1299 231 113 SER CA C 57.897 0.3 1 1300 231 113 SER CB C 63.527 0.3 1 1301 231 113 SER N N 117.699 0.3 1 1302 232 114 SER H H 8.046 0.020 1 1303 232 114 SER HA H 4.296 0.020 1 1304 232 114 SER HB2 H 3.882 0.020 1 1305 232 114 SER HB3 H 3.882 0.020 1 1306 232 114 SER C C 175.920 0.3 1 1307 232 114 SER CA C 59.526 0.3 1 1308 232 114 SER CB C 64.243 0.3 1 1309 232 114 SER N N 122.766 0.3 1 stop_ save_