data_17174 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; MOUSE PRION PROTEIN FRAGMENT 121-231 AT 37 C ; _BMRB_accession_number 17174 _BMRB_flat_file_name bmr17174.str _Entry_type original _Submission_date 2010-09-10 _Accession_date 2010-09-10 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Additional HN/N signals from the beta 2-alpha 2 loop of the mouse prion protein fragment 121-231 are visible at 37C allowing the identification of additional NOE constraints which lead to a defined conformation for the loop.' 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" 690 "13C chemical shifts" 369 "15N chemical shifts" 135 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-09 original author . 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 'Mouse prion protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Mouse_prion $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Mouse_prion _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 114 _Mol_residue_sequence ; GSVVGGLGGYMLGSAMSRPM IHFGNDWEDRYYRENMYRYP NQVYYRPVDQYSNQNNFVHD 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 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 99.12 100.00 3.41e-78 BMRB 16071 mPrP90 99.12 144 99.12 100.00 4.91e-78 BMRB 16075 mPrP90_M129V 99.12 141 98.23 100.00 2.19e-77 BMRB 16076 mPrP90_P102L 99.12 141 99.12 100.00 3.51e-78 BMRB 16077 mPrP90_P105L 99.12 141 99.12 100.00 3.51e-78 BMRB 16078 mPrP90_A117V 99.12 142 99.12 100.00 6.32e-78 BMRB 16079 mPrP90_3AV 99.12 142 99.12 100.00 1.16e-77 BMRB 16080 mPrP90_2II 99.12 142 99.12 100.00 5.54e-78 BMRB 16184 mpp_121-231 100.00 114 98.25 98.25 4.53e-77 BMRB 16185 mpp_121-231 100.00 114 99.12 99.12 2.32e-78 BMRB 16722 "mouse prion protein double mutant D167S, N173K" 99.12 113 99.12 99.12 3.27e-77 BMRB 16723 "mouse prion protein double mutant D167S, N173K" 99.12 113 98.23 98.23 1.98e-76 BMRB 17081 "Prion with Y169G mutation" 100.00 114 99.12 99.12 1.59e-77 BMRB 17082 mPrP121-231_F175A 100.00 114 99.12 99.12 9.93e-78 BMRB 17084 prion 100.00 114 100.00 100.00 7.07e-79 BMRB 17087 "Prion with Y169A, Y225A, Y226A mutation" 100.00 114 97.37 97.37 2.93e-76 BMRB 17213 entity 100.00 114 99.12 99.12 5.39e-78 BMRB 17758 mPrP(121-232) 100.00 114 100.00 100.00 7.07e-79 BMRB 17759 mPrP(121-232) 100.00 114 98.25 98.25 4.34e-76 PDB 1AG2 "Prion Protein Domain Prp(121-231) From Mouse, Nmr, 2 Minimized Average Structure" 89.47 103 100.00 100.00 8.47e-70 PDB 1XYX "Mouse Prion Protein Fragment 121-231" 98.25 112 100.00 100.00 2.84e-77 PDB 1Y15 "Mouse Prion Protein With Mutation N174t" 98.25 112 99.11 99.11 1.80e-76 PDB 1Y16 "Mouse Prion Protein With Mutations S170n And N174t" 98.25 112 98.21 99.11 8.10e-76 PDB 2K5O "Mouse Prion Protein (121-231) With Mutation S170n" 100.00 114 99.12 100.00 3.41e-78 PDB 2KFM "Mouse Prion Protein (121-231) With Mutations Y225a And Y226a" 100.00 114 98.25 98.25 4.53e-77 PDB 2KFO "Mouse Prion Protein (121-231) With Mutation V166a" 100.00 114 99.12 99.12 2.32e-78 PDB 2KU5 "Mouse Prion Protein (121-231) With Mutation D167s" 99.12 113 99.12 99.12 3.27e-77 PDB 2KU6 "Mouse Prion Protein (121-231) With Mutations D167s And N173k" 99.12 113 98.23 98.23 1.98e-76 PDB 2L1D "Mouse Prion Protein (121-231) Containing The Substitution Y169g" 100.00 114 99.12 99.12 1.59e-77 PDB 2L1E "Mouse Prion Protein (121-231) Containing The Substitution F175a" 100.00 114 99.12 99.12 9.93e-78 PDB 2L1H "Mouse Prion Protein Fragment 121-231 At 20 C" 100.00 114 100.00 100.00 7.07e-79 PDB 2L1K "Mouse Prion Protein (121-231) Containing The Substitutions Y169a, Y225a, And Y226a" 100.00 114 97.37 97.37 2.93e-76 PDB 2L39 "Mouse Prion Protein Fragment 121-231 At 37 C" 100.00 114 100.00 100.00 7.07e-79 PDB 2L40 "Mouse Prion Protein (121-231) Containing The Substitution Y169a" 100.00 114 99.12 99.12 5.39e-78 PDB 4H88 "Structure Of Pom1 Fab Fragment Complexed With Mouse Prpc Fragment 120- 230" 97.37 111 99.10 99.10 6.17e-76 PDB 4MA7 "Crystal Structure Of Mouse Prion Protein Complexed With Promazine" 98.25 114 99.11 100.00 2.48e-77 PDB 4MA8 "Crystal Structure Of Mouse Prion Protein Complexed With Chlorpromazine" 98.25 114 99.11 100.00 2.48e-77 DBJ BAA08790 "prion protein [Rattus norvegicus]" 100.00 254 98.25 100.00 3.27e-77 DBJ BAE28320 "unnamed protein product [Mus musculus]" 100.00 254 98.25 100.00 2.69e-77 DBJ BAE28693 "unnamed protein product [Mus musculus]" 100.00 254 98.25 99.12 7.47e-77 DBJ BAE29994 "unnamed protein product [Mus musculus]" 100.00 254 98.25 99.12 1.06e-76 DBJ BAE34221 "unnamed protein product [Mus musculus]" 100.00 254 99.12 100.00 1.45e-77 EMBL CAJ18553 "Prnp [Mus musculus]" 100.00 254 99.12 100.00 1.46e-77 GB AAA39996 "prion protein [Mus musculus]" 100.00 254 98.25 100.00 6.70e-77 GB AAA39997 "prion protein [Mus musculus]" 100.00 254 99.12 100.00 1.46e-77 GB AAA39998 "prion protein [Mus musculus]" 100.00 254 98.25 99.12 7.97e-77 GB AAA41947 "prion-related protein, partial [Rattus norvegicus]" 100.00 226 98.25 100.00 8.04e-78 GB AAB30728 "prion protein [Rattus norvegicus]" 100.00 254 98.25 100.00 3.27e-77 REF NP_001265185 "major prion protein precursor [Mus musculus]" 100.00 254 99.12 100.00 1.46e-77 REF NP_035300 "major prion protein precursor [Mus musculus]" 100.00 254 99.12 100.00 1.46e-77 REF NP_036763 "major prion protein precursor [Rattus norvegicus]" 100.00 254 98.25 100.00 3.27e-77 REF XP_006235124 "PREDICTED: major prion protein isoform X1 [Rattus norvegicus]" 100.00 254 98.25 100.00 3.27e-77 REF XP_006984054 "PREDICTED: major prion protein [Peromyscus maniculatus bairdii]" 100.00 254 97.37 99.12 7.90e-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 99.12 100.00 1.46e-77 SP P13852 "RecName: Full=Major prion protein; Short=PrP; AltName: CD_antigen=CD230; Flags: Precursor" 100.00 254 98.25 100.00 3.27e-77 SP Q9Z0T3 "RecName: Full=Major prion protein; Short=PrP; AltName: CD_antigen=CD230; Flags: Precursor" 100.00 254 98.25 100.00 5.57e-77 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'House 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 $entity '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 $entity 1.6 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' . www.nmr.ch 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 1.2 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 2K.2 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_ ############################# # 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_ save_3D_1H-13C_NOESY_3 _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 310.2 . 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 . . . 1.000000000 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_ _Software_label $CARA stop_ 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 Mouse_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 3.921 0.020 1 2 119 1 GLY HA3 H 3.921 0.020 1 3 119 1 GLY CA C 43.367 0.3 1 4 120 2 SER H H 8.608 0.020 1 5 120 2 SER HA H 4.613 0.020 1 6 120 2 SER HB2 H 3.855 0.020 1 7 120 2 SER HB3 H 3.855 0.020 1 8 120 2 SER CA C 58.057 0.3 1 9 120 2 SER CB C 64.134 0.3 1 10 120 2 SER N N 115.804 0.3 1 11 121 3 VAL H H 8.316 0.020 1 12 121 3 VAL HA H 4.207 0.020 1 13 121 3 VAL HB H 2.071 0.020 1 14 121 3 VAL HG1 H 0.928 0.020 2 15 121 3 VAL HG2 H 0.899 0.020 2 16 121 3 VAL CA C 62.317 0.3 1 17 121 3 VAL CB C 32.728 0.3 1 18 121 3 VAL CG1 C 20.491 0.3 1 19 121 3 VAL CG2 C 21.168 0.3 1 20 121 3 VAL N N 122.056 0.3 1 21 122 4 VAL H H 8.245 0.020 1 22 122 4 VAL HA H 4.123 0.020 1 23 122 4 VAL HB H 2.049 0.020 1 24 122 4 VAL HG1 H 0.943 0.020 2 25 122 4 VAL HG2 H 0.928 0.020 2 26 122 4 VAL CA C 62.414 0.3 1 27 122 4 VAL CB C 32.624 0.3 1 28 122 4 VAL CG1 C 20.700 0.3 1 29 122 4 VAL CG2 C 21.168 0.3 1 30 122 4 VAL N N 124.535 0.3 1 31 123 5 GLY H H 8.498 0.020 1 32 123 5 GLY HA2 H 3.969 0.020 1 33 123 5 GLY HA3 H 3.969 0.020 1 34 123 5 GLY CA C 45.376 0.3 1 35 123 5 GLY N N 113.176 0.3 1 36 124 6 GLY H H 8.245 0.020 1 37 124 6 GLY HA2 H 3.974 0.020 1 38 124 6 GLY HA3 H 3.974 0.020 1 39 124 6 GLY CA C 45.365 0.3 1 40 124 6 GLY N N 108.589 0.3 1 41 125 7 LEU H H 8.182 0.020 1 42 125 7 LEU HA H 4.387 0.020 1 43 125 7 LEU HB2 H 1.552 0.020 2 44 125 7 LEU HB3 H 1.637 0.020 2 45 125 7 LEU HD1 H 0.719 0.020 2 46 125 7 LEU HD2 H 0.622 0.020 2 47 125 7 LEU HG H 1.527 0.020 1 48 125 7 LEU CA C 54.897 0.3 1 49 125 7 LEU CB C 42.489 0.3 1 50 125 7 LEU CD1 C 24.663 0.3 1 51 125 7 LEU CD2 C 23.592 0.3 1 52 125 7 LEU CG C 26.965 0.3 1 53 125 7 LEU N N 121.812 0.3 1 54 126 8 GLY H H 8.486 0.020 1 55 126 8 GLY HA2 H 3.925 0.020 1 56 126 8 GLY CA C 46.272 0.3 1 57 126 8 GLY N N 109.755 0.3 1 58 127 9 GLY H H 8.312 0.020 1 59 127 9 GLY HA2 H 3.924 0.020 1 60 127 9 GLY CA C 45.134 0.3 1 61 127 9 GLY N N 109.044 0.3 1 62 128 10 TYR H H 7.699 0.020 1 63 128 10 TYR HA H 4.471 0.020 1 64 128 10 TYR HB2 H 2.911 0.020 2 65 128 10 TYR HB3 H 2.880 0.020 2 66 128 10 TYR HD1 H 6.874 0.020 1 67 128 10 TYR HD2 H 6.874 0.020 1 68 128 10 TYR HE1 H 6.672 0.020 1 69 128 10 TYR HE2 H 6.672 0.020 1 70 128 10 TYR CA C 58.046 0.3 1 71 128 10 TYR CB C 40.105 0.3 1 72 128 10 TYR CD1 C 132.782 0.3 1 73 128 10 TYR CE1 C 118.230 0.3 1 74 128 10 TYR N N 117.761 0.3 1 75 129 11 MET H H 9.040 0.020 1 76 129 11 MET HA H 4.518 0.020 1 77 129 11 MET HB2 H 1.007 0.020 2 78 129 11 MET HB3 H 1.595 0.020 2 79 129 11 MET HE H 2.006 0.020 1 80 129 11 MET HG2 H 2.244 0.020 1 81 129 11 MET HG3 H 2.244 0.020 1 82 129 11 MET CA C 53.815 0.3 1 83 129 11 MET CB C 34.465 0.3 1 84 129 11 MET CE C 17.188 0.3 1 85 129 11 MET CG C 31.985 0.3 1 86 129 11 MET N N 121.166 0.3 1 87 130 12 LEU H H 8.021 0.020 1 88 130 12 LEU HA H 4.513 0.020 1 89 130 12 LEU HB2 H 0.998 0.020 2 90 130 12 LEU HB3 H 1.592 0.020 2 91 130 12 LEU HD1 H 0.058 0.020 2 92 130 12 LEU HD2 H 0.634 0.020 2 93 130 12 LEU HG H 1.389 0.020 1 94 130 12 LEU CA C 53.453 0.3 1 95 130 12 LEU CB C 43.685 0.3 1 96 130 12 LEU CD1 C 21.954 0.3 1 97 130 12 LEU CD2 C 25.648 0.3 1 98 130 12 LEU CG C 26.168 0.3 1 99 130 12 LEU N N 121.247 0.3 1 100 131 13 GLY H H 9.290 0.020 1 101 131 13 GLY HA2 H 4.450 0.020 1 102 131 13 GLY CA C 44.947 0.3 1 103 131 13 GLY N N 114.539 0.3 1 104 132 14 SER H H 8.238 0.020 1 105 132 14 SER HA H 4.432 0.020 1 106 132 14 SER HB2 H 3.911 0.020 2 107 132 14 SER HB3 H 3.973 0.020 2 108 132 14 SER CA C 58.455 0.3 1 109 132 14 SER CB C 64.087 0.3 1 110 132 14 SER N N 113.736 0.3 1 111 133 15 ALA H H 8.644 0.020 1 112 133 15 ALA HA H 4.423 0.020 1 113 133 15 ALA HB H 1.287 0.020 1 114 133 15 ALA CA C 52.914 0.3 1 115 133 15 ALA CB C 18.455 0.3 1 116 133 15 ALA N N 125.415 0.3 1 117 134 16 MET H H 8.731 0.020 1 118 134 16 MET HA H 4.737 0.020 1 119 134 16 MET HB2 H 2.070 0.020 2 120 134 16 MET HB3 H 1.982 0.020 2 121 134 16 MET HE H 2.200 0.020 1 122 134 16 MET HG2 H 2.568 0.020 2 123 134 16 MET HG3 H 2.477 0.020 2 124 134 16 MET CA C 54.007 0.3 1 125 134 16 MET CB C 36.484 0.3 1 126 134 16 MET CE C 17.816 0.3 1 127 134 16 MET CG C 31.678 0.3 1 128 134 16 MET N N 121.320 0.3 1 129 135 17 SER H H 8.349 0.020 1 130 135 17 SER HA H 4.366 0.020 1 131 135 17 SER HB2 H 3.848 0.020 2 132 135 17 SER HB3 H 3.770 0.020 2 133 135 17 SER CA C 58.598 0.3 1 134 135 17 SER CB C 63.161 0.3 1 135 135 17 SER N N 116.010 0.3 1 136 136 18 ARG H H 8.580 0.020 1 137 136 18 ARG HA H 4.397 0.020 1 138 136 18 ARG HB2 H 1.847 0.020 2 139 136 18 ARG HB3 H 1.786 0.020 2 140 136 18 ARG HD2 H 3.086 0.020 2 141 136 18 ARG HD3 H 2.978 0.020 2 142 136 18 ARG HE H 6.864 0.020 1 143 136 18 ARG HG2 H 1.722 0.020 2 144 136 18 ARG HG3 H 1.642 0.020 2 145 136 18 ARG CA C 54.854 0.3 1 146 136 18 ARG CB C 28.732 0.3 1 147 136 18 ARG CD C 43.892 0.3 1 148 136 18 ARG CG C 29.505 0.3 1 149 136 18 ARG N N 126.057 0.3 1 150 136 18 ARG NE N 85.676 0.3 1 151 137 19 PRO HA H 4.439 0.020 1 152 137 19 PRO HB2 H 1.783 0.020 2 153 137 19 PRO HB3 H 2.249 0.020 2 154 137 19 PRO HD2 H 3.652 0.020 2 155 137 19 PRO HD3 H 3.931 0.020 2 156 137 19 PRO HG2 H 2.036 0.020 2 157 137 19 PRO HG3 H 2.020 0.020 2 158 137 19 PRO CA C 62.333 0.3 1 159 137 19 PRO CB C 32.255 0.3 1 160 137 19 PRO CD C 50.602 0.3 1 161 137 19 PRO CG C 27.268 0.3 1 162 138 20 MET H H 8.665 0.020 1 163 138 20 MET HA H 4.854 0.020 1 164 138 20 MET HB2 H 2.021 0.020 2 165 138 20 MET HB3 H 2.015 0.020 2 166 138 20 MET HE H 2.138 0.020 1 167 138 20 MET HG2 H 2.683 0.020 2 168 138 20 MET HG3 H 2.378 0.020 2 169 138 20 MET CA C 54.114 0.3 1 170 138 20 MET CB C 30.444 0.3 1 171 138 20 MET CE C 16.561 0.3 1 172 138 20 MET CG C 31.962 0.3 1 173 138 20 MET N N 122.105 0.3 1 174 139 21 ILE H H 6.602 0.020 1 175 139 21 ILE HA H 3.853 0.020 1 176 139 21 ILE HB H 0.855 0.020 1 177 139 21 ILE HD1 H 0.444 0.020 1 178 139 21 ILE HG12 H 0.903 0.020 2 179 139 21 ILE HG13 H 0.727 0.020 2 180 139 21 ILE HG2 H -0.073 0.020 1 181 139 21 ILE CA C 59.523 0.3 1 182 139 21 ILE CB C 39.066 0.3 1 183 139 21 ILE CD1 C 12.550 0.3 1 184 139 21 ILE CG1 C 26.635 0.3 1 185 139 21 ILE CG2 C 17.137 0.3 1 186 139 21 ILE N N 124.214 0.3 1 187 140 22 HIS H H 8.149 0.020 1 188 140 22 HIS HA H 4.914 0.020 1 189 140 22 HIS HB2 H 3.283 0.020 2 190 140 22 HIS HB3 H 2.960 0.020 2 191 140 22 HIS HD2 H 7.237 0.020 1 192 140 22 HIS HE1 H 8.576 0.020 1 193 140 22 HIS CA C 54.075 0.3 1 194 140 22 HIS CB C 29.568 0.3 1 195 140 22 HIS CD2 C 119.878 0.3 1 196 140 22 HIS CE1 C 136.367 0.3 1 197 140 22 HIS N N 121.762 0.3 1 198 141 23 PHE H H 10.342 0.020 1 199 141 23 PHE HA H 4.280 0.020 1 200 141 23 PHE HB2 H 2.783 0.020 2 201 141 23 PHE HB3 H 3.306 0.020 2 202 141 23 PHE HD1 H 7.301 0.020 1 203 141 23 PHE HD2 H 7.301 0.020 1 204 141 23 PHE HE1 H 6.903 0.020 1 205 141 23 PHE HE2 H 6.903 0.020 1 206 141 23 PHE HZ H 6.760 0.020 1 207 141 23 PHE CA C 59.562 0.3 1 208 141 23 PHE CB C 40.803 0.3 1 209 141 23 PHE CD1 C 131.916 0.3 1 210 141 23 PHE CE1 C 130.979 0.3 1 211 141 23 PHE CZ C 128.972 0.3 1 212 141 23 PHE N N 124.878 0.3 1 213 142 24 GLY H H 8.950 0.020 1 214 142 24 GLY HA2 H 4.108 0.020 1 215 142 24 GLY CA C 45.766 0.3 1 216 142 24 GLY N N 108.850 0.3 1 217 143 25 ASN H H 7.233 0.020 1 218 143 25 ASN HA H 4.895 0.020 1 219 143 25 ASN HB2 H 2.724 0.020 2 220 143 25 ASN HB3 H 2.711 0.020 2 221 143 25 ASN HD21 H 7.567 0.020 1 222 143 25 ASN HD22 H 7.357 0.020 1 223 143 25 ASN CA C 52.509 0.3 1 224 143 25 ASN CB C 41.424 0.3 1 225 143 25 ASN N N 114.666 0.3 1 226 143 25 ASN ND2 N 115.468 0.3 1 227 144 26 ASP H H 8.979 0.020 1 228 144 26 ASP HA H 4.449 0.020 1 229 144 26 ASP HB2 H 2.780 0.020 1 230 144 26 ASP HB3 H 2.780 0.020 1 231 144 26 ASP CA C 57.850 0.3 1 232 144 26 ASP CB C 41.080 0.3 1 233 144 26 ASP N N 123.487 0.3 1 234 145 27 TRP H H 8.460 0.020 1 235 145 27 TRP HA H 4.256 0.020 1 236 145 27 TRP HB2 H 3.425 0.020 1 237 145 27 TRP HB3 H 3.425 0.020 1 238 145 27 TRP HD1 H 7.354 0.020 1 239 145 27 TRP HE1 H 10.193 0.020 1 240 145 27 TRP HE3 H 7.384 0.020 1 241 145 27 TRP HH2 H 6.912 0.020 1 242 145 27 TRP HZ2 H 7.443 0.020 1 243 145 27 TRP HZ3 H 6.747 0.020 1 244 145 27 TRP CA C 61.698 0.3 1 245 145 27 TRP CB C 28.340 0.3 1 246 145 27 TRP CD1 C 127.491 0.3 1 247 145 27 TRP CE3 C 120.510 0.3 1 248 145 27 TRP CH2 C 124.839 0.3 1 249 145 27 TRP CZ2 C 114.632 0.3 1 250 145 27 TRP CZ3 C 121.207 0.3 1 251 145 27 TRP N N 120.338 0.3 1 252 145 27 TRP NE1 N 129.456 0.3 1 253 146 28 GLU H H 8.097 0.020 1 254 146 28 GLU HA H 3.455 0.020 1 255 146 28 GLU HB2 H 1.846 0.020 2 256 146 28 GLU HB3 H 1.299 0.020 2 257 146 28 GLU HG2 H 2.099 0.020 2 258 146 28 GLU HG3 H 1.601 0.020 2 259 146 28 GLU CA C 59.846 0.3 1 260 146 28 GLU CB C 29.597 0.3 1 261 146 28 GLU CG C 37.137 0.3 1 262 146 28 GLU N N 120.357 0.3 1 263 147 29 ASP H H 7.971 0.020 1 264 147 29 ASP HA H 4.680 0.020 1 265 147 29 ASP HB2 H 2.839 0.020 2 266 147 29 ASP HB3 H 2.924 0.020 2 267 147 29 ASP CA C 58.555 0.3 1 268 147 29 ASP CB C 40.632 0.3 1 269 147 29 ASP N N 118.971 0.3 1 270 148 30 ARG H H 8.026 0.020 1 271 148 30 ARG HA H 3.984 0.020 1 272 148 30 ARG HB2 H 1.885 0.020 1 273 148 30 ARG HB3 H 1.885 0.020 1 274 148 30 ARG HD2 H 3.219 0.020 2 275 148 30 ARG HD3 H 3.197 0.020 2 276 148 30 ARG HE H 7.439 0.020 1 277 148 30 ARG HG2 H 1.739 0.020 2 278 148 30 ARG HG3 H 1.516 0.020 2 279 148 30 ARG CA C 59.607 0.3 1 280 148 30 ARG CB C 29.883 0.3 1 281 148 30 ARG CD C 43.585 0.3 1 282 148 30 ARG CG C 27.732 0.3 1 283 148 30 ARG N N 119.866 0.3 1 284 148 30 ARG NE N 85.442 0.3 1 285 149 31 TYR H H 8.271 0.020 1 286 149 31 TYR HA H 3.757 0.020 1 287 149 31 TYR HB2 H 2.696 0.020 2 288 149 31 TYR HB3 H 2.358 0.020 2 289 149 31 TYR HD1 H 6.893 0.020 1 290 149 31 TYR HD2 H 6.893 0.020 1 291 149 31 TYR HE1 H 6.908 0.020 1 292 149 31 TYR HE2 H 6.908 0.020 1 293 149 31 TYR CA C 62.186 0.3 1 294 149 31 TYR CB C 38.237 0.3 1 295 149 31 TYR CD1 C 133.476 0.3 1 296 149 31 TYR CE1 C 117.919 0.3 1 297 149 31 TYR N N 120.913 0.3 1 298 150 32 TYR H H 8.960 0.020 1 299 150 32 TYR HA H 4.100 0.020 1 300 150 32 TYR HB2 H 3.543 0.020 2 301 150 32 TYR HB3 H 3.215 0.020 2 302 150 32 TYR HD1 H 7.468 0.020 1 303 150 32 TYR HD2 H 7.468 0.020 1 304 150 32 TYR HE1 H 7.020 0.020 1 305 150 32 TYR HE2 H 7.020 0.020 1 306 150 32 TYR CA C 62.987 0.3 1 307 150 32 TYR CB C 38.436 0.3 1 308 150 32 TYR CD1 C 133.361 0.3 1 309 150 32 TYR CE1 C 118.300 0.3 1 310 150 32 TYR N N 120.346 0.3 1 311 151 33 ARG H H 7.896 0.020 1 312 151 33 ARG HA H 3.849 0.020 1 313 151 33 ARG HB2 H 1.975 0.020 2 314 151 33 ARG HB3 H 2.029 0.020 2 315 151 33 ARG HD2 H 3.351 0.020 2 316 151 33 ARG HD3 H 3.287 0.020 2 317 151 33 ARG HE H 7.455 0.020 1 318 151 33 ARG HG2 H 1.984 0.020 2 319 151 33 ARG HG3 H 1.764 0.020 2 320 151 33 ARG CA C 59.918 0.3 1 321 151 33 ARG CB C 29.817 0.3 1 322 151 33 ARG CD C 43.592 0.3 1 323 151 33 ARG CG C 28.383 0.3 1 324 151 33 ARG N N 117.236 0.3 1 325 151 33 ARG NE N 85.133 0.3 1 326 152 34 GLU H H 7.850 0.020 1 327 152 34 GLU HA H 4.113 0.020 1 328 152 34 GLU HB2 H 1.893 0.020 1 329 152 34 GLU HB3 H 1.893 0.020 1 330 152 34 GLU HG2 H 2.450 0.020 2 331 152 34 GLU HG3 H 2.250 0.020 2 332 152 34 GLU CA C 57.782 0.3 1 333 152 34 GLU CB C 29.837 0.3 1 334 152 34 GLU CG C 35.953 0.3 1 335 152 34 GLU N N 115.420 0.3 1 336 153 35 ASN H H 7.534 0.020 1 337 153 35 ASN HA H 4.514 0.020 1 338 153 35 ASN HB2 H 2.247 0.020 2 339 153 35 ASN HB3 H 2.149 0.020 2 340 153 35 ASN HD21 H 6.721 0.020 1 341 153 35 ASN HD22 H 6.459 0.020 1 342 153 35 ASN CA C 54.830 0.3 1 343 153 35 ASN CB C 41.187 0.3 1 344 153 35 ASN N N 115.227 0.3 1 345 153 35 ASN ND2 N 116.496 0.3 1 346 154 36 MET H H 7.793 0.020 1 347 154 36 MET HA H 3.458 0.020 1 348 154 36 MET HB2 H 1.586 0.020 2 349 154 36 MET HB3 H 1.295 0.020 2 350 154 36 MET HE H 1.930 0.020 1 351 154 36 MET HG2 H 2.274 0.020 2 352 154 36 MET HG3 H 1.801 0.020 2 353 154 36 MET CA C 59.213 0.3 1 354 154 36 MET CB C 30.775 0.3 1 355 154 36 MET CE C 17.302 0.3 1 356 154 36 MET CG C 30.202 0.3 1 357 154 36 MET N N 118.301 0.3 1 358 155 37 TYR H H 7.547 0.020 1 359 155 37 TYR HA H 4.162 0.020 1 360 155 37 TYR HB2 H 2.948 0.020 2 361 155 37 TYR HB3 H 3.022 0.020 2 362 155 37 TYR HD1 H 7.083 0.020 1 363 155 37 TYR HD2 H 7.083 0.020 1 364 155 37 TYR HE1 H 6.903 0.020 1 365 155 37 TYR HE2 H 6.903 0.020 1 366 155 37 TYR CA C 59.313 0.3 1 367 155 37 TYR CB C 36.324 0.3 1 368 155 37 TYR CD1 C 133.091 0.3 1 369 155 37 TYR CE1 C 118.522 0.3 1 370 155 37 TYR N N 116.191 0.3 1 371 156 38 ARG H H 7.517 0.020 1 372 156 38 ARG HA H 4.068 0.020 1 373 156 38 ARG HB2 H 1.355 0.020 2 374 156 38 ARG HB3 H 1.968 0.020 2 375 156 38 ARG HD2 H 3.208 0.020 2 376 156 38 ARG HD3 H 3.084 0.020 2 377 156 38 ARG HE H 7.305 0.020 1 378 156 38 ARG HG2 H 1.288 0.020 2 379 156 38 ARG HG3 H 0.675 0.020 2 380 156 38 ARG HH21 H 6.558 0.020 1 381 156 38 ARG CA C 56.381 0.3 1 382 156 38 ARG CB C 30.739 0.3 1 383 156 38 ARG CD C 44.356 0.3 1 384 156 38 ARG CG C 27.410 0.3 1 385 156 38 ARG N N 118.498 0.3 1 386 156 38 ARG NE N 84.878 0.3 1 387 157 39 TYR H H 7.331 0.020 1 388 157 39 TYR HA H 5.022 0.020 1 389 157 39 TYR HB2 H 3.112 0.020 1 390 157 39 TYR HB3 H 3.112 0.020 1 391 157 39 TYR HD1 H 6.935 0.020 1 392 157 39 TYR HD2 H 6.935 0.020 1 393 157 39 TYR HE1 H 6.569 0.020 1 394 157 39 TYR HE2 H 6.569 0.020 1 395 157 39 TYR CA C 52.909 0.3 1 396 157 39 TYR CB C 35.168 0.3 1 397 157 39 TYR CD1 C 131.257 0.3 1 398 157 39 TYR CE1 C 117.345 0.3 1 399 157 39 TYR N N 120.484 0.3 1 400 158 40 PRO HA H 4.410 0.020 1 401 158 40 PRO HB2 H 1.712 0.020 2 402 158 40 PRO HB3 H 2.397 0.020 2 403 158 40 PRO HD2 H 3.169 0.020 2 404 158 40 PRO HD3 H 3.342 0.020 2 405 158 40 PRO HG2 H 1.573 0.020 2 406 158 40 PRO HG3 H 1.328 0.020 2 407 158 40 PRO CA C 63.570 0.3 1 408 158 40 PRO CB C 32.317 0.3 1 409 158 40 PRO CD C 50.015 0.3 1 410 158 40 PRO CG C 27.199 0.3 1 411 159 41 ASN H H 8.453 0.020 1 412 159 41 ASN HA H 4.717 0.020 1 413 159 41 ASN HB2 H 3.662 0.020 2 414 159 41 ASN HB3 H 2.420 0.020 2 415 159 41 ASN HD21 H 7.460 0.020 1 416 159 41 ASN HD22 H 6.785 0.020 1 417 159 41 ASN CA C 51.862 0.3 1 418 159 41 ASN CB C 38.270 0.3 1 419 159 41 ASN N N 115.862 0.3 1 420 159 41 ASN ND2 N 109.178 0.3 1 421 160 42 GLN H H 7.259 0.020 1 422 160 42 GLN HA H 4.608 0.020 1 423 160 42 GLN HB2 H 1.975 0.020 2 424 160 42 GLN HB3 H 1.718 0.020 2 425 160 42 GLN HE21 H 7.823 0.020 1 426 160 42 GLN HE22 H 6.925 0.020 1 427 160 42 GLN HG2 H 2.161 0.020 2 428 160 42 GLN HG3 H 2.049 0.020 2 429 160 42 GLN CA C 54.251 0.3 1 430 160 42 GLN CB C 33.552 0.3 1 431 160 42 GLN CG C 34.163 0.3 1 432 160 42 GLN N N 114.319 0.3 1 433 160 42 GLN NE2 N 112.228 0.3 1 434 161 43 VAL H H 8.427 0.020 1 435 161 43 VAL HA H 4.928 0.020 1 436 161 43 VAL HB H 2.598 0.020 1 437 161 43 VAL HG1 H 0.968 0.020 2 438 161 43 VAL HG2 H 0.764 0.020 2 439 161 43 VAL CA C 58.747 0.3 1 440 161 43 VAL CB C 33.954 0.3 1 441 161 43 VAL CG1 C 23.746 0.3 1 442 161 43 VAL CG2 C 18.194 0.3 1 443 161 43 VAL N N 112.831 0.3 1 444 162 44 TYR H H 8.431 0.020 1 445 162 44 TYR HA H 5.555 0.020 1 446 162 44 TYR HB2 H 2.607 0.020 2 447 162 44 TYR HB3 H 2.573 0.020 2 448 162 44 TYR HD1 H 6.929 0.020 1 449 162 44 TYR HD2 H 6.929 0.020 1 450 162 44 TYR HE1 H 6.772 0.020 1 451 162 44 TYR HE2 H 6.772 0.020 1 452 162 44 TYR CA C 56.918 0.3 1 453 162 44 TYR CB C 41.956 0.3 1 454 162 44 TYR CD1 C 132.902 0.3 1 455 162 44 TYR CE1 C 118.347 0.3 1 456 162 44 TYR N N 121.288 0.3 1 457 163 45 TYR H H 8.514 0.020 1 458 163 45 TYR HA H 4.839 0.020 1 459 163 45 TYR HB2 H 2.840 0.020 2 460 163 45 TYR HB3 H 2.694 0.020 2 461 163 45 TYR HD1 H 7.118 0.020 1 462 163 45 TYR HD2 H 7.118 0.020 1 463 163 45 TYR HE1 H 6.509 0.020 1 464 163 45 TYR HE2 H 6.509 0.020 1 465 163 45 TYR CA C 55.969 0.3 1 466 163 45 TYR CB C 40.097 0.3 1 467 163 45 TYR CD1 C 134.078 0.3 1 468 163 45 TYR CE1 C 117.847 0.3 1 469 163 45 TYR N N 111.176 0.3 1 470 164 46 ARG H H 7.970 0.020 1 471 164 46 ARG HA H 4.661 0.020 1 472 164 46 ARG HB2 H 1.674 0.020 2 473 164 46 ARG HB3 H 1.688 0.020 2 474 164 46 ARG HD2 H 2.851 0.020 2 475 164 46 ARG HD3 H 2.892 0.020 2 476 164 46 ARG HE H 6.654 0.020 1 477 164 46 ARG HG2 H 1.160 0.020 2 478 164 46 ARG HG3 H 1.079 0.020 2 479 164 46 ARG CA C 53.536 0.3 1 480 164 46 ARG CB C 29.946 0.3 1 481 164 46 ARG CD C 43.589 0.3 1 482 164 46 ARG CG C 27.855 0.3 1 483 164 46 ARG N N 120.518 0.3 1 484 164 46 ARG NE N 84.902 0.3 1 485 165 47 PRO HA H 4.588 0.020 1 486 165 47 PRO HB2 H 1.985 0.020 2 487 165 47 PRO HB3 H 2.494 0.020 2 488 165 47 PRO HD2 H 3.675 0.020 2 489 165 47 PRO HD3 H 3.463 0.020 2 490 165 47 PRO HG2 H 2.148 0.020 2 491 165 47 PRO HG3 H 2.010 0.020 2 492 165 47 PRO CA C 63.525 0.3 1 493 165 47 PRO CB C 32.594 0.3 1 494 165 47 PRO CD C 50.241 0.3 1 495 165 47 PRO CG C 28.250 0.3 1 496 166 48 VAL H H 8.484 0.020 1 497 166 48 VAL HA H 4.232 0.020 1 498 166 48 VAL HB H 2.000 0.020 1 499 166 48 VAL HG1 H 0.739 0.020 2 500 166 48 VAL HG2 H 0.774 0.020 2 501 166 48 VAL CA C 65.105 0.3 1 502 166 48 VAL CB C 32.337 0.3 1 503 166 48 VAL CG1 C 21.596 0.3 1 504 166 48 VAL CG2 C 21.718 0.3 1 505 166 48 VAL N N 119.014 0.3 1 506 167 49 ASP H H 8.288 0.020 1 507 167 49 ASP HA H 4.422 0.020 1 508 167 49 ASP HB2 H 2.948 0.020 2 509 167 49 ASP HB3 H 2.500 0.020 2 510 167 49 ASP CA C 54.028 0.3 1 511 167 49 ASP CB C 39.718 0.3 1 512 167 49 ASP N N 118.385 0.3 1 513 168 50 GLN H H 8.250 0.020 1 514 168 50 GLN HA H 4.101 0.020 1 515 168 50 GLN HB2 H 1.907 0.020 2 516 168 50 GLN HB3 H 1.774 0.020 2 517 168 50 GLN HE21 H 7.518 0.020 1 518 168 50 GLN HE22 H 6.773 0.020 1 519 168 50 GLN HG2 H 2.113 0.020 1 520 168 50 GLN HG3 H 2.113 0.020 1 521 168 50 GLN CA C 56.148 0.3 1 522 168 50 GLN CB C 27.539 0.3 1 523 168 50 GLN CG C 33.922 0.3 1 524 168 50 GLN N N 117.306 0.3 1 525 168 50 GLN NE2 N 112.372 0.3 1 526 169 51 TYR H H 7.938 0.020 1 527 169 51 TYR HA H 4.895 0.020 1 528 169 51 TYR HB2 H 3.311 0.020 2 529 169 51 TYR HB3 H 3.038 0.020 2 530 169 51 TYR HD1 H 7.314 0.020 1 531 169 51 TYR HD2 H 7.314 0.020 1 532 169 51 TYR HE1 H 6.936 0.020 1 533 169 51 TYR HE2 H 6.936 0.020 1 534 169 51 TYR CA C 57.085 0.3 1 535 169 51 TYR CB C 41.587 0.3 1 536 169 51 TYR CD1 C 133.816 0.3 1 537 169 51 TYR CE1 C 118.782 0.3 1 538 169 51 TYR N N 117.278 0.3 1 539 170 52 SER H H 8.894 0.020 1 540 170 52 SER HA H 4.579 0.020 1 541 170 52 SER HB2 H 4.050 0.020 2 542 170 52 SER HB3 H 3.998 0.020 2 543 170 52 SER CA C 59.229 0.3 1 544 170 52 SER CB C 64.017 0.3 1 545 170 52 SER N N 115.461 0.3 1 546 171 53 ASN H H 7.747 0.020 1 547 171 53 ASN HA H 4.799 0.020 1 548 171 53 ASN HB2 H 3.167 0.020 2 549 171 53 ASN HB3 H 3.016 0.020 2 550 171 53 ASN HD21 H 7.515 0.020 1 551 171 53 ASN HD22 H 6.709 0.020 1 552 171 53 ASN CA C 52.433 0.3 1 553 171 53 ASN CB C 40.299 0.3 1 554 171 53 ASN N N 115.084 0.3 1 555 171 53 ASN ND2 N 113.505 0.3 1 556 172 54 GLN H H 8.639 0.020 1 557 172 54 GLN HA H 2.826 0.020 1 558 172 54 GLN HB2 H 1.694 0.020 2 559 172 54 GLN HB3 H 1.605 0.020 2 560 172 54 GLN HE21 H 7.155 0.020 1 561 172 54 GLN HE22 H 6.832 0.020 1 562 172 54 GLN HG2 H 1.845 0.020 2 563 172 54 GLN HG3 H 1.216 0.020 2 564 172 54 GLN CA C 59.067 0.3 1 565 172 54 GLN CB C 29.321 0.3 1 566 172 54 GLN CG C 33.555 0.3 1 567 172 54 GLN N N 120.107 0.3 1 568 172 54 GLN NE2 N 111.220 0.3 1 569 173 55 ASN H H 8.377 0.020 1 570 173 55 ASN HA H 4.241 0.020 1 571 173 55 ASN HB2 H 2.666 0.020 2 572 173 55 ASN HB3 H 2.755 0.020 2 573 173 55 ASN HD21 H 7.556 0.020 1 574 173 55 ASN HD22 H 6.935 0.020 1 575 173 55 ASN CA C 56.530 0.3 1 576 173 55 ASN CB C 37.847 0.3 1 577 173 55 ASN N N 117.316 0.3 1 578 173 55 ASN ND2 N 112.642 0.3 1 579 174 56 ASN H H 8.557 0.020 1 580 174 56 ASN HA H 4.570 0.020 1 581 174 56 ASN HB2 H 3.170 0.020 2 582 174 56 ASN HB3 H 2.949 0.020 2 583 174 56 ASN HD21 H 7.644 0.020 1 584 174 56 ASN HD22 H 7.144 0.020 1 585 174 56 ASN CA C 56.043 0.3 1 586 174 56 ASN CB C 38.170 0.3 1 587 174 56 ASN N N 118.484 0.3 1 588 174 56 ASN ND2 N 111.632 0.3 1 589 175 57 PHE H H 7.438 0.020 1 590 175 57 PHE HD1 H 7.231 0.020 1 591 175 57 PHE HD2 H 7.231 0.020 1 592 175 57 PHE HE1 H 7.849 0.020 1 593 175 57 PHE HE2 H 7.849 0.020 1 594 175 57 PHE HZ H 6.694 0.020 1 595 175 57 PHE CA C 60.908 0.3 1 596 175 57 PHE CB C 38.535 0.3 1 597 175 57 PHE CD1 C 132.868 0.3 1 598 175 57 PHE CE1 C 132.157 0.3 1 599 175 57 PHE CZ C 129.091 0.3 1 600 175 57 PHE N N 121.675 0.3 1 601 176 58 VAL H H 8.903 0.020 1 602 176 58 VAL HA H 3.442 0.020 1 603 176 58 VAL HB H 2.218 0.020 1 604 176 58 VAL HG1 H 1.026 0.020 2 605 176 58 VAL HG2 H 1.087 0.020 2 606 176 58 VAL CA C 67.701 0.3 1 607 176 58 VAL CB C 31.936 0.3 1 608 176 58 VAL CG1 C 21.724 0.3 1 609 176 58 VAL CG2 C 24.497 0.3 1 610 176 58 VAL N N 120.243 0.3 1 611 177 59 HIS H H 8.359 0.020 1 612 177 59 HIS HA H 4.314 0.020 1 613 177 59 HIS HB2 H 3.391 0.020 2 614 177 59 HIS HB3 H 3.350 0.020 2 615 177 59 HIS HD2 H 7.400 0.020 1 616 177 59 HIS HE1 H 8.631 0.020 1 617 177 59 HIS CA C 59.354 0.3 1 618 177 59 HIS CB C 28.347 0.3 1 619 177 59 HIS CD2 C 120.143 0.3 1 620 177 59 HIS CE1 C 136.425 0.3 1 621 177 59 HIS N N 116.538 0.3 1 622 178 60 ASP H H 7.536 0.020 1 623 178 60 ASP HA H 4.587 0.020 1 624 178 60 ASP HB2 H 2.964 0.020 2 625 178 60 ASP HB3 H 2.912 0.020 2 626 178 60 ASP CA C 57.261 0.3 1 627 178 60 ASP CB C 41.238 0.3 1 628 178 60 ASP N N 118.651 0.3 1 629 179 61 CYS H H 8.189 0.020 1 630 179 61 CYS HA H 4.695 0.020 1 631 179 61 CYS HB2 H 3.242 0.020 2 632 179 61 CYS HB3 H 2.858 0.020 2 633 179 61 CYS CA C 58.640 0.3 1 634 179 61 CYS CB C 40.809 0.3 1 635 179 61 CYS N N 119.392 0.3 1 636 180 62 VAL H H 9.161 0.020 1 637 180 62 VAL HA H 3.668 0.020 1 638 180 62 VAL HB H 2.166 0.020 1 639 180 62 VAL HG1 H 0.976 0.020 2 640 180 62 VAL HG2 H 1.083 0.020 2 641 180 62 VAL CA C 66.182 0.3 1 642 180 62 VAL CB C 31.949 0.3 1 643 180 62 VAL CG1 C 21.718 0.3 1 644 180 62 VAL CG2 C 23.616 0.3 1 645 180 62 VAL N N 124.467 0.3 1 646 181 63 ASN H H 7.624 0.020 1 647 181 63 ASN HA H 4.328 0.020 1 648 181 63 ASN HB2 H 2.888 0.020 2 649 181 63 ASN HB3 H 2.801 0.020 2 650 181 63 ASN HD21 H 7.616 0.020 1 651 181 63 ASN HD22 H 6.753 0.020 1 652 181 63 ASN CA C 56.698 0.3 1 653 181 63 ASN CB C 38.885 0.3 1 654 181 63 ASN N N 116.530 0.3 1 655 181 63 ASN ND2 N 111.765 0.3 1 656 182 64 ILE H H 8.807 0.020 1 657 182 64 ILE HA H 3.743 0.020 1 658 182 64 ILE HB H 1.608 0.020 1 659 182 64 ILE HD1 H 0.442 0.020 1 660 182 64 ILE HG12 H 0.906 0.020 2 661 182 64 ILE HG13 H 0.936 0.020 2 662 182 64 ILE HG2 H 0.274 0.020 1 663 182 64 ILE CA C 62.468 0.3 1 664 182 64 ILE CB C 36.641 0.3 1 665 182 64 ILE CD1 C 11.447 0.3 1 666 182 64 ILE CG1 C 27.647 0.3 1 667 182 64 ILE CG2 C 18.359 0.3 1 668 182 64 ILE N N 118.875 0.3 1 669 183 65 THR H H 8.135 0.020 1 670 183 65 THR HA H 4.065 0.020 1 671 183 65 THR HB H 4.500 0.020 1 672 183 65 THR HG1 H 6.478 0.020 1 673 183 65 THR HG2 H 1.502 0.020 1 674 183 65 THR CA C 68.750 0.3 1 675 183 65 THR CB C 68.305 0.3 1 676 183 65 THR CG2 C 22.311 0.3 1 677 183 65 THR N N 118.082 0.3 1 678 184 66 ILE H H 8.523 0.020 1 679 184 66 ILE HA H 3.724 0.020 1 680 184 66 ILE HB H 2.094 0.020 1 681 184 66 ILE HD1 H 0.790 0.020 1 682 184 66 ILE HG12 H 1.836 0.020 2 683 184 66 ILE HG13 H 1.214 0.020 2 684 184 66 ILE HG2 H 0.901 0.020 1 685 184 66 ILE CA C 65.804 0.3 1 686 184 66 ILE CB C 36.810 0.3 1 687 184 66 ILE CD1 C 12.986 0.3 1 688 184 66 ILE CG1 C 29.872 0.3 1 689 184 66 ILE CG2 C 16.834 0.3 1 690 184 66 ILE N N 120.679 0.3 1 691 185 67 LYS H H 8.064 0.020 1 692 185 67 LYS HA H 4.065 0.020 1 693 185 67 LYS HB2 H 1.962 0.020 2 694 185 67 LYS HB3 H 1.886 0.020 2 695 185 67 LYS HD2 H 1.622 0.020 1 696 185 67 LYS HD3 H 1.622 0.020 1 697 185 67 LYS HE2 H 2.930 0.020 1 698 185 67 LYS HE3 H 2.930 0.020 1 699 185 67 LYS HG2 H 1.500 0.020 2 700 185 67 LYS HG3 H 1.406 0.020 2 701 185 67 LYS CA C 59.974 0.3 1 702 185 67 LYS CB C 32.196 0.3 1 703 185 67 LYS CD C 29.125 0.3 1 704 185 67 LYS CE C 42.052 0.3 1 705 185 67 LYS CG C 24.985 0.3 1 706 185 67 LYS N N 122.709 0.3 1 707 186 68 GLN H H 8.323 0.020 1 708 186 68 GLN HA H 4.048 0.020 1 709 186 68 GLN HB2 H 1.970 0.020 2 710 186 68 GLN HB3 H 1.883 0.020 2 711 186 68 GLN HE21 H 6.700 0.020 1 712 186 68 GLN HE22 H 6.661 0.020 1 713 186 68 GLN HG2 H 2.080 0.020 2 714 186 68 GLN HG3 H 1.562 0.020 2 715 186 68 GLN CA C 57.633 0.3 1 716 186 68 GLN CB C 28.258 0.3 1 717 186 68 GLN CG C 33.504 0.3 1 718 186 68 GLN N N 116.254 0.3 1 719 186 68 GLN NE2 N 109.780 0.3 1 720 187 69 HIS H H 8.175 0.020 1 721 187 69 HIS HA H 4.618 0.020 1 722 187 69 HIS HB2 H 3.311 0.020 2 723 187 69 HIS HB3 H 3.303 0.020 2 724 187 69 HIS HD2 H 7.192 0.020 1 725 187 69 HIS HE1 H 8.166 0.020 1 726 187 69 HIS CA C 58.775 0.3 1 727 187 69 HIS CB C 30.646 0.3 1 728 187 69 HIS CD2 C 118.651 0.3 1 729 187 69 HIS CE1 C 138.285 0.3 1 730 187 69 HIS N N 117.950 0.3 1 731 188 70 THR H H 8.224 0.020 1 732 188 70 THR HA H 4.225 0.020 1 733 188 70 THR HB H 4.429 0.020 1 734 188 70 THR HG2 H 1.247 0.020 1 735 188 70 THR CA C 65.015 0.3 1 736 188 70 THR CB C 69.276 0.3 1 737 188 70 THR CG2 C 21.495 0.3 1 738 188 70 THR N N 113.358 0.3 1 739 189 71 VAL H H 7.998 0.020 1 740 189 71 VAL HA H 4.039 0.020 1 741 189 71 VAL HB H 2.226 0.020 1 742 189 71 VAL HG1 H 0.977 0.020 2 743 189 71 VAL HG2 H 1.042 0.020 2 744 189 71 VAL CA C 64.867 0.3 1 745 189 71 VAL CB C 32.078 0.3 1 746 189 71 VAL CG1 C 21.085 0.3 1 747 189 71 VAL CG2 C 21.500 0.3 1 748 189 71 VAL N N 121.903 0.3 1 749 190 72 THR H H 8.035 0.020 1 750 190 72 THR HA H 4.269 0.020 1 751 190 72 THR HB H 4.292 0.020 1 752 190 72 THR HG2 H 1.284 0.020 1 753 190 72 THR CA C 63.954 0.3 1 754 190 72 THR CB C 69.395 0.3 1 755 190 72 THR CG2 C 21.718 0.3 1 756 190 72 THR N N 115.077 0.3 1 757 191 73 THR H H 7.989 0.020 1 758 191 73 THR HA H 4.247 0.020 1 759 191 73 THR HB H 4.189 0.020 1 760 191 73 THR HG2 H 1.054 0.020 1 761 191 73 THR CA C 63.819 0.3 1 762 191 73 THR CB C 69.165 0.3 1 763 191 73 THR CG2 C 21.542 0.3 1 764 191 73 THR N N 114.755 0.3 1 765 192 74 THR H H 8.172 0.020 1 766 192 74 THR HA H 4.408 0.020 1 767 192 74 THR HB H 4.376 0.020 1 768 192 74 THR HG2 H 1.305 0.020 1 769 192 74 THR CA C 63.963 0.3 1 770 192 74 THR CB C 69.337 0.3 1 771 192 74 THR CG2 C 21.581 0.3 1 772 192 74 THR N N 116.356 0.3 1 773 193 75 THR H H 7.918 0.020 1 774 193 75 THR HA H 4.267 0.020 1 775 193 75 THR HB H 4.308 0.020 1 776 193 75 THR HG2 H 1.282 0.020 1 777 193 75 THR CA C 63.629 0.3 1 778 193 75 THR CB C 69.290 0.3 1 779 193 75 THR CG2 C 21.749 0.3 1 780 193 75 THR N N 115.856 0.3 1 781 194 76 LYS H H 7.850 0.020 1 782 194 76 LYS HA H 4.366 0.020 1 783 194 76 LYS HB2 H 1.964 0.020 2 784 194 76 LYS HB3 H 1.836 0.020 2 785 194 76 LYS HD2 H 1.690 0.020 1 786 194 76 LYS HD3 H 1.690 0.020 1 787 194 76 LYS HE2 H 2.995 0.020 1 788 194 76 LYS HE3 H 2.995 0.020 1 789 194 76 LYS HG2 H 1.516 0.020 2 790 194 76 LYS HG3 H 1.462 0.020 2 791 194 76 LYS CA C 56.516 0.3 1 792 194 76 LYS CB C 32.576 0.3 1 793 194 76 LYS CD C 29.114 0.3 1 794 194 76 LYS CE C 42.117 0.3 1 795 194 76 LYS CG C 24.799 0.3 1 796 194 76 LYS N N 121.135 0.3 1 797 195 77 GLY H H 8.102 0.020 1 798 195 77 GLY HA2 H 4.084 0.020 1 799 195 77 GLY CA C 45.503 0.3 1 800 195 77 GLY N N 108.845 0.3 1 801 196 78 GLU H H 7.734 0.020 1 802 196 78 GLU HA H 4.277 0.020 1 803 196 78 GLU HB2 H 1.718 0.020 1 804 196 78 GLU HB3 H 1.718 0.020 1 805 196 78 GLU HG2 H 2.104 0.020 2 806 196 78 GLU HG3 H 2.150 0.020 2 807 196 78 GLU CA C 55.771 0.3 1 808 196 78 GLU CB C 30.602 0.3 1 809 196 78 GLU CG C 35.432 0.3 1 810 196 78 GLU N N 119.979 0.3 1 811 197 79 ASN H H 8.418 0.020 1 812 197 79 ASN HA H 4.689 0.020 1 813 197 79 ASN HB2 H 2.720 0.020 2 814 197 79 ASN HB3 H 2.647 0.020 2 815 197 79 ASN HD21 H 7.508 0.020 1 816 197 79 ASN HD22 H 6.813 0.020 1 817 197 79 ASN CA C 52.804 0.3 1 818 197 79 ASN CB C 40.166 0.3 1 819 197 79 ASN N N 119.783 0.3 1 820 197 79 ASN ND2 N 112.815 0.3 1 821 198 80 PHE H H 8.552 0.020 1 822 198 80 PHE HA H 5.259 0.020 1 823 198 80 PHE HB2 H 2.994 0.020 2 824 198 80 PHE HB3 H 3.189 0.020 2 825 198 80 PHE HD1 H 7.367 0.020 1 826 198 80 PHE HD2 H 7.367 0.020 1 827 198 80 PHE HE1 H 7.467 0.020 1 828 198 80 PHE HE2 H 7.467 0.020 1 829 198 80 PHE CA C 56.848 0.3 1 830 198 80 PHE CB C 40.098 0.3 1 831 198 80 PHE CD1 C 131.413 0.3 1 832 198 80 PHE CE1 C 129.916 0.3 1 833 198 80 PHE N N 121.701 0.3 1 834 199 81 THR H H 9.470 0.020 1 835 199 81 THR HA H 4.653 0.020 1 836 199 81 THR HB H 4.847 0.020 1 837 199 81 THR HG2 H 1.459 0.020 1 838 199 81 THR CA C 60.597 0.3 1 839 199 81 THR CB C 71.990 0.3 1 840 199 81 THR CG2 C 21.758 0.3 1 841 199 81 THR N N 115.929 0.3 1 842 200 82 GLU H H 9.094 0.020 1 843 200 82 GLU HA H 4.111 0.020 1 844 200 82 GLU HB2 H 2.157 0.020 2 845 200 82 GLU HB3 H 2.097 0.020 2 846 200 82 GLU HG2 H 2.441 0.020 2 847 200 82 GLU HG3 H 2.385 0.020 2 848 200 82 GLU CA C 59.808 0.3 1 849 200 82 GLU CB C 28.873 0.3 1 850 200 82 GLU CG C 35.675 0.3 1 851 200 82 GLU N N 120.041 0.3 1 852 201 83 THR H H 7.931 0.020 1 853 201 83 THR HA H 3.831 0.020 1 854 201 83 THR HB H 3.792 0.020 1 855 201 83 THR HG2 H 0.794 0.020 1 856 201 83 THR CA C 66.846 0.3 1 857 201 83 THR CB C 68.728 0.3 1 858 201 83 THR CG2 C 21.499 0.3 1 859 201 83 THR N N 116.198 0.3 1 860 202 84 ASP H H 7.532 0.020 1 861 202 84 ASP HA H 4.607 0.020 1 862 202 84 ASP HB2 H 3.323 0.020 2 863 202 84 ASP HB3 H 2.604 0.020 2 864 202 84 ASP CA C 57.969 0.3 1 865 202 84 ASP CB C 41.599 0.3 1 866 202 84 ASP N N 120.040 0.3 1 867 203 85 VAL H H 8.219 0.020 1 868 203 85 VAL HA H 3.365 0.020 1 869 203 85 VAL HB H 2.148 0.020 1 870 203 85 VAL HG1 H 1.017 0.020 2 871 203 85 VAL HG2 H 0.923 0.020 2 872 203 85 VAL CA C 67.706 0.3 1 873 203 85 VAL CB C 31.523 0.3 1 874 203 85 VAL CG1 C 22.759 0.3 1 875 203 85 VAL CG2 C 21.191 0.3 1 876 203 85 VAL N N 119.761 0.3 1 877 204 86 LYS H H 7.733 0.020 1 878 204 86 LYS HA H 4.084 0.020 1 879 204 86 LYS HB2 H 1.998 0.020 2 880 204 86 LYS HB3 H 1.941 0.020 2 881 204 86 LYS HD2 H 1.700 0.020 1 882 204 86 LYS HD3 H 1.700 0.020 1 883 204 86 LYS HE2 H 2.963 0.020 1 884 204 86 LYS HE3 H 2.963 0.020 1 885 204 86 LYS HG2 H 1.638 0.020 2 886 204 86 LYS HG3 H 1.461 0.020 2 887 204 86 LYS CA C 59.358 0.3 1 888 204 86 LYS CB C 32.061 0.3 1 889 204 86 LYS CD C 29.201 0.3 1 890 204 86 LYS CE C 42.067 0.3 1 891 204 86 LYS CG C 25.130 0.3 1 892 204 86 LYS N N 119.241 0.3 1 893 205 87 MET H H 8.188 0.020 1 894 205 87 MET HA H 4.169 0.020 1 895 205 87 MET HB2 H 2.340 0.020 2 896 205 87 MET HB3 H 1.922 0.020 2 897 205 87 MET HE H 1.537 0.020 1 898 205 87 MET HG2 H 3.001 0.020 2 899 205 87 MET HG3 H 2.368 0.020 2 900 205 87 MET CA C 59.667 0.3 1 901 205 87 MET CB C 32.854 0.3 1 902 205 87 MET CE C 18.163 0.3 1 903 205 87 MET CG C 33.926 0.3 1 904 205 87 MET N N 118.588 0.3 1 905 206 88 MET H H 8.726 0.020 1 906 206 88 MET HA H 3.561 0.020 1 907 206 88 MET HB2 H 1.967 0.020 2 908 206 88 MET HB3 H 1.747 0.020 2 909 206 88 MET HE H 1.481 0.020 1 910 206 88 MET HG2 H 2.021 0.020 2 911 206 88 MET HG3 H 1.820 0.020 2 912 206 88 MET CA C 59.759 0.3 1 913 206 88 MET CB C 33.474 0.3 1 914 206 88 MET CE C 16.158 0.3 1 915 206 88 MET CG C 32.582 0.3 1 916 206 88 MET N N 118.283 0.3 1 917 207 89 GLU H H 8.422 0.020 1 918 207 89 GLU HA H 3.692 0.020 1 919 207 89 GLU HB2 H 2.217 0.020 2 920 207 89 GLU HB3 H 2.079 0.020 2 921 207 89 GLU HG2 H 2.562 0.020 2 922 207 89 GLU HG3 H 2.216 0.020 2 923 207 89 GLU CA C 60.586 0.3 1 924 207 89 GLU CB C 28.317 0.3 1 925 207 89 GLU CG C 35.316 0.3 1 926 207 89 GLU N N 118.355 0.3 1 927 208 90 ARG H H 7.319 0.020 1 928 208 90 ARG HA H 4.178 0.020 1 929 208 90 ARG HB2 H 1.923 0.020 2 930 208 90 ARG HB3 H 2.084 0.020 2 931 208 90 ARG HD2 H 3.224 0.020 2 932 208 90 ARG HD3 H 3.147 0.020 2 933 208 90 ARG HE H 7.275 0.020 1 934 208 90 ARG HG2 H 1.802 0.020 2 935 208 90 ARG HG3 H 1.756 0.020 2 936 208 90 ARG CA C 58.459 0.3 1 937 208 90 ARG CB C 29.934 0.3 1 938 208 90 ARG CD C 42.607 0.3 1 939 208 90 ARG CG C 26.875 0.3 1 940 208 90 ARG N N 116.991 0.3 1 941 208 90 ARG NE N 83.664 0.3 1 942 209 91 VAL H H 8.179 0.020 1 943 209 91 VAL HA H 3.726 0.020 1 944 209 91 VAL HB H 2.289 0.020 1 945 209 91 VAL HG1 H 1.312 0.020 2 946 209 91 VAL HG2 H 1.235 0.020 2 947 209 91 VAL CA C 66.034 0.3 1 948 209 91 VAL CB C 32.401 0.3 1 949 209 91 VAL CG1 C 24.006 0.3 1 950 209 91 VAL CG2 C 21.070 0.3 1 951 209 91 VAL N N 119.159 0.3 1 952 210 92 VAL H H 8.969 0.020 1 953 210 92 VAL HA H 3.655 0.020 1 954 210 92 VAL HB H 2.258 0.020 1 955 210 92 VAL HG1 H 1.230 0.020 2 956 210 92 VAL HG2 H 0.984 0.020 2 957 210 92 VAL CA C 66.489 0.3 1 958 210 92 VAL CB C 31.244 0.3 1 959 210 92 VAL CG1 C 24.628 0.3 1 960 210 92 VAL CG2 C 24.136 0.3 1 961 210 92 VAL N N 120.452 0.3 1 962 211 93 GLU H H 8.191 0.020 1 963 211 93 GLU HA H 3.596 0.020 1 964 211 93 GLU HB2 H 2.236 0.020 2 965 211 93 GLU HB3 H 2.136 0.020 2 966 211 93 GLU HG2 H 2.221 0.020 2 967 211 93 GLU HG3 H 2.156 0.020 2 968 211 93 GLU CA C 61.126 0.3 1 969 211 93 GLU CB C 28.744 0.3 1 970 211 93 GLU CG C 35.589 0.3 1 971 211 93 GLU N N 120.619 0.3 1 972 212 94 GLN H H 7.220 0.020 1 973 212 94 GLN HA H 4.004 0.020 1 974 212 94 GLN HB2 H 2.170 0.020 2 975 212 94 GLN HB3 H 2.147 0.020 2 976 212 94 GLN HE21 H 7.374 0.020 1 977 212 94 GLN HE22 H 6.734 0.020 1 978 212 94 GLN HG2 H 2.460 0.020 2 979 212 94 GLN HG3 H 2.408 0.020 2 980 212 94 GLN CA C 59.113 0.3 1 981 212 94 GLN CB C 27.938 0.3 1 982 212 94 GLN CG C 33.867 0.3 1 983 212 94 GLN N N 115.635 0.3 1 984 212 94 GLN NE2 N 111.456 0.3 1 985 213 95 MET H H 8.219 0.020 1 986 213 95 MET HA H 4.134 0.020 1 987 213 95 MET HB2 H 2.207 0.020 2 988 213 95 MET HB3 H 2.090 0.020 2 989 213 95 MET HE H 1.924 0.020 1 990 213 95 MET HG2 H 2.842 0.020 2 991 213 95 MET HG3 H 2.493 0.020 2 992 213 95 MET CA C 60.038 0.3 1 993 213 95 MET CB C 34.413 0.3 1 994 213 95 MET CE C 16.988 0.3 1 995 213 95 MET CG C 32.611 0.3 1 996 213 95 MET N N 119.489 0.3 1 997 214 96 CYS H H 9.186 0.020 1 998 214 96 CYS HA H 4.412 0.020 1 999 214 96 CYS HB2 H 3.544 0.020 2 1000 214 96 CYS HB3 H 2.875 0.020 2 1001 214 96 CYS CA C 60.053 0.3 1 1002 214 96 CYS CB C 41.840 0.3 1 1003 214 96 CYS N N 119.276 0.3 1 1004 215 97 VAL H H 8.382 0.020 1 1005 215 97 VAL HA H 3.486 0.020 1 1006 215 97 VAL HB H 2.293 0.020 1 1007 215 97 VAL HG1 H 1.107 0.020 2 1008 215 97 VAL HG2 H 0.923 0.020 2 1009 215 97 VAL CA C 67.686 0.3 1 1010 215 97 VAL CB C 31.576 0.3 1 1011 215 97 VAL CG1 C 23.852 0.3 1 1012 215 97 VAL CG2 C 21.245 0.3 1 1013 215 97 VAL N N 123.269 0.3 1 1014 216 98 THR H H 8.078 0.020 1 1015 216 98 THR HA H 3.910 0.020 1 1016 216 98 THR HB H 4.315 0.020 1 1017 216 98 THR HG2 H 1.257 0.020 1 1018 216 98 THR CA C 67.043 0.3 1 1019 216 98 THR CB C 68.357 0.3 1 1020 216 98 THR CG2 C 22.191 0.3 1 1021 216 98 THR N N 117.878 0.3 1 1022 217 99 GLN H H 8.729 0.020 1 1023 217 99 GLN HA H 3.673 0.020 1 1024 217 99 GLN HB2 H 2.317 0.020 2 1025 217 99 GLN HB3 H 2.059 0.020 2 1026 217 99 GLN HE21 H 7.103 0.020 1 1027 217 99 GLN HE22 H 6.719 0.020 1 1028 217 99 GLN HG2 H 1.708 0.020 2 1029 217 99 GLN HG3 H 1.653 0.020 2 1030 217 99 GLN CA C 58.631 0.3 1 1031 217 99 GLN CB C 28.229 0.3 1 1032 217 99 GLN CG C 32.453 0.3 1 1033 217 99 GLN N N 122.355 0.3 1 1034 217 99 GLN NE2 N 113.825 0.3 1 1035 218 100 TYR H H 8.467 0.020 1 1036 218 100 TYR HA H 2.920 0.020 1 1037 218 100 TYR HB2 H 3.010 0.020 2 1038 218 100 TYR HB3 H 2.722 0.020 2 1039 218 100 TYR HD1 H 6.191 0.020 1 1040 218 100 TYR HD2 H 6.191 0.020 1 1041 218 100 TYR HE1 H 6.578 0.020 1 1042 218 100 TYR HE2 H 6.578 0.020 1 1043 218 100 TYR CA C 62.084 0.3 1 1044 218 100 TYR CB C 37.107 0.3 1 1045 218 100 TYR CD1 C 132.635 0.3 1 1046 218 100 TYR CE1 C 117.697 0.3 1 1047 218 100 TYR N N 119.928 0.3 1 1048 219 101 GLN H H 8.177 0.020 1 1049 219 101 GLN HA H 3.708 0.020 1 1050 219 101 GLN HB2 H 2.309 0.020 2 1051 219 101 GLN HB3 H 2.083 0.020 2 1052 219 101 GLN HE21 H 7.365 0.020 1 1053 219 101 GLN HE22 H 6.768 0.020 1 1054 219 101 GLN HG2 H 2.695 0.020 2 1055 219 101 GLN HG3 H 2.465 0.020 2 1056 219 101 GLN CA C 59.056 0.3 1 1057 219 101 GLN CB C 27.687 0.3 1 1058 219 101 GLN CG C 33.835 0.3 1 1059 219 101 GLN N N 119.508 0.3 1 1060 219 101 GLN NE2 N 110.609 0.3 1 1061 220 102 LYS H H 7.935 0.020 1 1062 220 102 LYS HA H 3.996 0.020 1 1063 220 102 LYS HB2 H 1.876 0.020 2 1064 220 102 LYS HB3 H 1.832 0.020 2 1065 220 102 LYS HD2 H 1.602 0.020 1 1066 220 102 LYS HD3 H 1.602 0.020 1 1067 220 102 LYS HE2 H 2.922 0.020 1 1068 220 102 LYS HE3 H 2.922 0.020 1 1069 220 102 LYS HG2 H 1.545 0.020 2 1070 220 102 LYS HG3 H 1.395 0.020 2 1071 220 102 LYS CA C 59.270 0.3 1 1072 220 102 LYS CB C 32.464 0.3 1 1073 220 102 LYS CD C 29.396 0.3 1 1074 220 102 LYS CE C 42.013 0.3 1 1075 220 102 LYS CG C 24.866 0.3 1 1076 220 102 LYS N N 119.027 0.3 1 1077 221 103 GLU H H 8.288 0.020 1 1078 221 103 GLU HA H 4.087 0.020 1 1079 221 103 GLU HB2 H 2.185 0.020 2 1080 221 103 GLU HB3 H 1.616 0.020 2 1081 221 103 GLU HG2 H 2.165 0.020 2 1082 221 103 GLU HG3 H 2.413 0.020 2 1083 221 103 GLU CA C 57.723 0.3 1 1084 221 103 GLU CB C 29.677 0.3 1 1085 221 103 GLU CG C 36.113 0.3 1 1086 221 103 GLU N N 117.730 0.3 1 1087 222 104 SER H H 8.292 0.020 1 1088 222 104 SER HA H 3.971 0.020 1 1089 222 104 SER HB2 H 3.557 0.020 2 1090 222 104 SER HB3 H 3.325 0.020 2 1091 222 104 SER CA C 61.015 0.3 1 1092 222 104 SER CB C 62.675 0.3 1 1093 222 104 SER N N 114.852 0.3 1 1094 223 105 GLN H H 7.589 0.020 1 1095 223 105 GLN HA H 4.123 0.020 1 1096 223 105 GLN HB2 H 2.114 0.020 1 1097 223 105 GLN HB3 H 2.114 0.020 1 1098 223 105 GLN HE21 H 7.532 0.020 1 1099 223 105 GLN HE22 H 6.769 0.020 1 1100 223 105 GLN HG2 H 2.473 0.020 2 1101 223 105 GLN HG3 H 2.393 0.020 2 1102 223 105 GLN CA C 57.888 0.3 1 1103 223 105 GLN CB C 28.461 0.3 1 1104 223 105 GLN CG C 33.855 0.3 1 1105 223 105 GLN N N 120.621 0.3 1 1106 223 105 GLN NE2 N 112.170 0.3 1 1107 224 106 ALA H H 7.597 0.020 1 1108 224 106 ALA HA H 4.202 0.020 1 1109 224 106 ALA HB H 1.400 0.020 1 1110 224 106 ALA CA C 53.862 0.3 1 1111 224 106 ALA CB C 18.549 0.3 1 1112 224 106 ALA N N 120.945 0.3 1 1113 225 107 TYR H H 7.885 0.020 1 1114 225 107 TYR HA H 4.287 0.020 1 1115 225 107 TYR HB2 H 2.956 0.020 2 1116 225 107 TYR HB3 H 2.857 0.020 2 1117 225 107 TYR HD1 H 6.790 0.020 1 1118 225 107 TYR HD2 H 6.790 0.020 1 1119 225 107 TYR HE1 H 6.727 0.020 1 1120 225 107 TYR HE2 H 6.727 0.020 1 1121 225 107 TYR CA C 59.615 0.3 1 1122 225 107 TYR CB C 38.728 0.3 1 1123 225 107 TYR CD1 C 133.040 0.3 1 1124 225 107 TYR CE1 C 117.967 0.3 1 1125 225 107 TYR N N 118.710 0.3 1 1126 226 108 TYR H H 7.997 0.020 1 1127 226 108 TYR HA H 4.330 0.020 1 1128 226 108 TYR HB2 H 3.122 0.020 2 1129 226 108 TYR HB3 H 2.961 0.020 2 1130 226 108 TYR HD1 H 7.208 0.020 1 1131 226 108 TYR HD2 H 7.208 0.020 1 1132 226 108 TYR HE1 H 6.873 0.020 1 1133 226 108 TYR HE2 H 6.873 0.020 1 1134 226 108 TYR CA C 59.413 0.3 1 1135 226 108 TYR CB C 38.287 0.3 1 1136 226 108 TYR CD1 C 133.287 0.3 1 1137 226 108 TYR CE1 C 118.143 0.3 1 1138 226 108 TYR N N 119.610 0.3 1 1139 227 109 ASP H H 8.160 0.020 1 1140 227 109 ASP HA H 4.545 0.020 1 1141 227 109 ASP HB2 H 2.757 0.020 1 1142 227 109 ASP HB3 H 2.757 0.020 1 1143 227 109 ASP CA C 54.803 0.3 1 1144 227 109 ASP CB C 40.453 0.3 1 1145 227 109 ASP N N 120.798 0.3 1 1146 228 110 GLY H H 7.858 0.020 1 1147 228 110 GLY HA2 H 3.920 0.020 1 1148 228 110 GLY HA3 H 3.920 0.020 1 1149 228 110 GLY CA C 45.697 0.3 1 1150 228 110 GLY N N 108.027 0.3 1 1151 229 111 ARG H H 7.863 0.020 1 1152 229 111 ARG HA H 4.326 0.020 1 1153 229 111 ARG HB2 H 1.741 0.020 2 1154 229 111 ARG HB3 H 1.856 0.020 2 1155 229 111 ARG HD2 H 3.093 0.020 1 1156 229 111 ARG HD3 H 3.093 0.020 1 1157 229 111 ARG HE H 7.220 0.020 1 1158 229 111 ARG HG2 H 1.577 0.020 1 1159 229 111 ARG HG3 H 1.577 0.020 1 1160 229 111 ARG CA C 56.109 0.3 1 1161 229 111 ARG CB C 30.616 0.3 1 1162 229 111 ARG CD C 43.340 0.3 1 1163 229 111 ARG CG C 27.012 0.3 1 1164 229 111 ARG N N 119.920 0.3 1 1165 229 111 ARG NE N 84.917 0.3 1 1166 230 112 ARG H H 8.191 0.020 1 1167 230 112 ARG HA H 4.408 0.020 1 1168 230 112 ARG HB2 H 1.785 0.020 2 1169 230 112 ARG HB3 H 1.903 0.020 2 1170 230 112 ARG HD2 H 3.180 0.020 1 1171 230 112 ARG HD3 H 3.180 0.020 1 1172 230 112 ARG HE H 7.188 0.020 1 1173 230 112 ARG HG2 H 1.654 0.020 2 1174 230 112 ARG HG3 H 1.624 0.020 2 1175 230 112 ARG CA C 56.029 0.3 1 1176 230 112 ARG CB C 30.985 0.3 1 1177 230 112 ARG CD C 43.322 0.3 1 1178 230 112 ARG CG C 27.067 0.3 1 1179 230 112 ARG N N 121.732 0.3 1 1180 230 112 ARG NE N 84.949 0.3 1 1181 231 113 SER H H 8.351 0.020 1 1182 231 113 SER HA H 4.522 0.020 1 1183 231 113 SER HB2 H 3.921 0.020 2 1184 231 113 SER HB3 H 3.887 0.020 2 1185 231 113 SER CA C 58.305 0.3 1 1186 231 113 SER CB C 64.097 0.3 1 1187 231 113 SER N N 117.395 0.3 1 1188 232 114 SER H H 7.964 0.020 1 1189 232 114 SER HA H 4.302 0.020 1 1190 232 114 SER HB2 H 3.880 0.020 1 1191 232 114 SER HB3 H 3.880 0.020 1 1192 232 114 SER CA C 59.914 0.3 1 1193 232 114 SER CB C 64.794 0.3 1 1194 232 114 SER N N 122.683 0.3 1 stop_ save_