data_16723 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; mPrP_D1567D_N173K ; _BMRB_accession_number 16723 _BMRB_flat_file_name bmr16723.str _Entry_type original _Submission_date 2010-02-12 _Accession_date 2010-02-12 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'mouse prion protein double mutant D167S, N173K' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Perez Daniel R. . 2 Damberger Fred F. . 3 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" 694 "13C chemical shifts" 370 "15N chemical shifts" 133 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-08-12 update BMRB 'Complete entry citation' 2010-05-18 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 16720 'mouse prion protein mutant D167S' 16722 'mouse prion protein double mutant D167S, N173K' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Horse prion protein NMR structure and comparisons with related variants of the mouse prion protein.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20460128 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Perez Daniel R. . 2 Damberger Fred F. . 3 Wuthrich Kurt . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 400 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 121 _Page_last 128 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'mouse prion protein double mutant D167S, N173K' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'mouse prion protein double mutant D167S, N173K' $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 protein double mutant D167S, N173K' _Molecular_mass 13203.797 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 113 _Mol_residue_sequence ; SVVGGLGGYMLGSAMSRPMI HFGNDWEDRYYRENMYRYPN QVYYRPVSQYSNQKNFVHDC VNITIKQHTVTTTTKGENFT ETDVKMMERVVEQMCVTQYQ KESQAYYDGRRSS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 120 SER 2 121 VAL 3 122 VAL 4 123 GLY 5 124 GLY 6 125 LEU 7 126 GLY 8 127 GLY 9 128 TYR 10 129 MET 11 130 LEU 12 131 GLY 13 132 SER 14 133 ALA 15 134 MET 16 135 SER 17 136 ARG 18 137 PRO 19 138 MET 20 139 ILE 21 140 HIS 22 141 PHE 23 142 GLY 24 143 ASN 25 144 ASP 26 145 TRP 27 146 GLU 28 147 ASP 29 148 ARG 30 149 TYR 31 150 TYR 32 151 ARG 33 152 GLU 34 153 ASN 35 154 MET 36 155 TYR 37 156 ARG 38 157 TYR 39 158 PRO 40 159 ASN 41 160 GLN 42 161 VAL 43 162 TYR 44 163 TYR 45 164 ARG 46 165 PRO 47 166 VAL 48 167 SER 49 168 GLN 50 169 TYR 51 170 SER 52 171 ASN 53 172 GLN 54 173 LYS 55 174 ASN 56 175 PHE 57 176 VAL 58 177 HIS 59 178 ASP 60 179 CYS 61 180 VAL 62 181 ASN 63 182 ILE 64 183 THR 65 184 ILE 66 185 LYS 67 186 GLN 68 187 HIS 69 188 THR 70 189 VAL 71 190 THR 72 191 THR 73 192 THR 74 193 THR 75 194 LYS 76 195 GLY 77 196 GLU 78 197 ASN 79 198 PHE 80 199 THR 81 200 GLU 82 201 THR 83 202 ASP 84 203 VAL 85 204 LYS 86 205 MET 87 206 MET 88 207 GLU 89 208 ARG 90 209 VAL 91 210 VAL 92 211 GLU 93 212 GLN 94 213 MET 95 214 CYS 96 215 VAL 97 216 THR 98 217 GLN 99 218 TYR 100 219 GLN 101 220 LYS 102 221 GLU 103 222 SER 104 223 GLN 105 224 ALA 106 225 TYR 107 226 TYR 108 227 ASP 109 228 GLY 110 229 ARG 111 230 ARG 112 231 SER 113 232 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-05 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 97.35 98.23 5.05e-76 BMRB 16071 mPrP90 99.12 144 97.32 98.21 7.34e-76 BMRB 16076 mPrP90_P102L 99.12 141 97.32 98.21 5.01e-76 BMRB 16077 mPrP90_P105L 99.12 141 97.32 98.21 5.01e-76 BMRB 16078 mPrP90_A117V 99.12 142 97.32 98.21 9.86e-76 BMRB 16079 mPrP90_3AV 99.12 142 97.32 98.21 2.12e-75 BMRB 16080 mPrP90_2II 99.12 142 97.32 98.21 9.23e-76 BMRB 16185 mpp_121-231 100.00 114 97.35 97.35 3.84e-76 BMRB 16722 "mouse prion protein double mutant D167S, N173K" 100.00 113 99.12 99.12 2.35e-77 BMRB 17081 "Prion with Y169G mutation" 100.00 114 97.35 97.35 2.90e-75 BMRB 17082 mPrP121-231_F175A 100.00 114 97.35 97.35 1.68e-75 BMRB 17084 prion 100.00 114 98.23 98.23 1.41e-76 BMRB 17174 Mouse_prion 100.00 114 98.23 98.23 1.41e-76 BMRB 17213 entity 100.00 114 97.35 97.35 1.02e-75 BMRB 17758 mPrP(121-232) 100.00 114 98.23 98.23 1.41e-76 PDB 1AG2 "Prion Protein Domain Prp(121-231) From Mouse, Nmr, 2 Minimized Average Structure" 90.27 103 98.04 98.04 2.14e-68 PDB 1XYX "Mouse Prion Protein Fragment 121-231" 99.12 112 98.21 98.21 5.35e-76 PDB 1Y15 "Mouse Prion Protein With Mutation N174t" 99.12 112 97.32 97.32 3.81e-75 PDB 2K5O "Mouse Prion Protein (121-231) With Mutation S170n" 100.00 114 97.35 98.23 5.05e-76 PDB 2KFO "Mouse Prion Protein (121-231) With Mutation V166a" 100.00 114 97.35 97.35 3.84e-76 PDB 2KU5 "Mouse Prion Protein (121-231) With Mutation D167s" 100.00 113 99.12 99.12 2.35e-77 PDB 2KU6 "Mouse Prion Protein (121-231) With Mutations D167s And N173k" 100.00 113 100.00 100.00 3.06e-78 PDB 2L1D "Mouse Prion Protein (121-231) Containing The Substitution Y169g" 100.00 114 97.35 97.35 2.90e-75 PDB 2L1E "Mouse Prion Protein (121-231) Containing The Substitution F175a" 100.00 114 97.35 97.35 1.68e-75 PDB 2L1H "Mouse Prion Protein Fragment 121-231 At 20 C" 100.00 114 98.23 98.23 1.41e-76 PDB 2L39 "Mouse Prion Protein Fragment 121-231 At 37 C" 100.00 114 98.23 98.23 1.41e-76 PDB 2L40 "Mouse Prion Protein (121-231) Containing The Substitution Y169a" 100.00 114 97.35 97.35 1.02e-75 PDB 4H88 "Structure Of Pom1 Fab Fragment Complexed With Mouse Prpc Fragment 120- 230" 98.23 111 97.30 97.30 1.32e-74 PDB 4MA7 "Crystal Structure Of Mouse Prion Protein Complexed With Promazine" 98.23 114 97.30 98.20 3.68e-75 PDB 4MA8 "Crystal Structure Of Mouse Prion Protein Complexed With Chlorpromazine" 98.23 114 97.30 98.20 3.68e-75 DBJ BAE34221 "unnamed protein product [Mus musculus]" 100.00 254 97.35 98.23 2.93e-75 DBJ BAE34724 "unnamed protein product [Mus musculus]" 100.00 254 97.35 98.23 2.07e-75 DBJ BAE34788 "unnamed protein product [Mus musculus]" 100.00 254 97.35 98.23 2.07e-75 DBJ BAE34911 "unnamed protein product [Mus musculus]" 100.00 254 97.35 98.23 2.07e-75 DBJ BAE35622 "unnamed protein product [Mus musculus]" 100.00 254 97.35 98.23 2.07e-75 EMBL CAJ18553 "Prnp [Mus musculus]" 100.00 254 97.35 98.23 2.07e-75 GB AAA39997 "prion protein [Mus musculus]" 100.00 254 97.35 98.23 2.07e-75 GB AAC02804 "short incubation prion protein Prnpa [Mus musculus]" 100.00 254 97.35 98.23 2.07e-75 GB AAD19985 "prion protein [Meriones unguiculatus]" 100.00 253 97.35 98.23 1.47e-75 GB AAH06703 "Prion protein [Mus musculus]" 100.00 254 97.35 98.23 2.07e-75 GB AAL57230 "prion protein [Apodemus sylvaticus]" 100.00 254 97.35 98.23 1.51e-75 REF NP_001265185 "major prion protein precursor [Mus musculus]" 100.00 254 97.35 98.23 2.07e-75 REF NP_035300 "major prion protein precursor [Mus musculus]" 100.00 254 97.35 98.23 2.07e-75 SP P04925 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 100.00 254 97.35 98.23 2.07e-75 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 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 'Bl21 (DE3)' pRSET 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 'sodium acetate' 10 mM [U-2H] H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' $entity 1.3 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ATNOS-CANDID _Saveframe_category software _Name ATHNOS-CANDID _Version . loop_ _Vendor _Address _Electronic_address 'Herrmann and Wuthrich' . . stop_ loop_ _Task 'automatic peak picking and NOE assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 750 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details 'equipped with cryoprobe' 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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_5 _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' 10 . mM pH 4.5 0.1 pH pressure 1 . atm temperature 298 . 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 . . . 0.25145 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.10133 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 HNCA' '3D HNCACB' '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 protein double mutant D167S, N173K' _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 1 120 1 SER H H 8.556 0.020 1 2 120 1 SER HA H 4.492 0.020 1 3 120 1 SER HB2 H 3.736 0.020 1 4 120 1 SER HB3 H 3.736 0.020 1 5 120 1 SER CA C 57.589 0.3 1 6 120 1 SER CB C 63.676 0.3 1 7 120 1 SER N N 115.655 0.3 1 8 121 2 VAL H H 8.281 0.020 1 9 121 2 VAL HA H 4.087 0.020 1 10 121 2 VAL HB H 1.950 0.020 1 11 121 2 VAL HG1 H 0.809 0.020 2 12 121 2 VAL HG2 H 0.780 0.020 2 13 121 2 VAL CA C 61.898 0.3 1 14 121 2 VAL CB C 32.258 0.3 1 15 121 2 VAL CG1 C 20.131 0.3 1 16 121 2 VAL CG2 C 20.718 0.3 1 17 121 2 VAL N N 122.116 0.3 1 18 122 3 VAL H H 8.218 0.020 1 19 122 3 VAL HA H 3.999 0.020 1 20 122 3 VAL HB H 1.929 0.020 1 21 122 3 VAL HG1 H 0.827 0.020 2 22 122 3 VAL HG2 H 0.810 0.020 2 23 122 3 VAL CA C 62.048 0.3 1 24 122 3 VAL CB C 32.166 0.3 1 25 122 3 VAL CG1 C 20.309 0.3 1 26 122 3 VAL CG2 C 20.712 0.3 1 27 122 3 VAL N N 124.812 0.3 1 28 123 4 GLY H H 8.472 0.020 1 29 123 4 GLY HA2 H 3.858 0.020 1 30 123 4 GLY HA3 H 3.858 0.020 1 31 123 4 GLY CA C 44.906 0.3 1 32 123 4 GLY N N 113.249 0.3 1 33 124 5 GLY H H 8.199 0.020 1 34 124 5 GLY HA2 H 3.860 0.020 1 35 124 5 GLY HA3 H 3.860 0.020 1 36 124 5 GLY CA C 44.923 0.3 1 37 124 5 GLY N N 108.471 0.3 1 38 125 6 LEU H H 8.151 0.020 1 39 125 6 LEU HA H 4.260 0.020 1 40 125 6 LEU HB2 H 1.445 0.020 2 41 125 6 LEU HB3 H 1.518 0.020 2 42 125 6 LEU HD1 H 0.606 0.020 2 43 125 6 LEU HD2 H 0.498 0.020 2 44 125 6 LEU HG H 1.409 0.020 1 45 125 6 LEU CA C 54.438 0.3 1 46 125 6 LEU CB C 42.037 0.3 1 47 125 6 LEU CD1 C 24.287 0.3 1 48 125 6 LEU CD2 C 23.092 0.3 1 49 125 6 LEU CG C 26.426 0.3 1 50 125 6 LEU N N 121.620 0.3 1 51 126 7 GLY H H 8.448 0.020 1 52 126 7 GLY HA2 H 3.807 0.020 1 53 126 7 GLY CA C 45.821 0.3 1 54 126 7 GLY N N 109.657 0.3 1 55 127 8 GLY H H 8.262 0.020 1 56 127 8 GLY HA2 H 3.815 0.020 1 57 127 8 GLY CA C 44.744 0.3 1 58 127 8 GLY N N 108.966 0.3 1 59 128 9 TYR H H 7.648 0.020 1 60 128 9 TYR HA H 4.355 0.020 1 61 128 9 TYR HB2 H 2.819 0.020 2 62 128 9 TYR HB3 H 2.755 0.020 2 63 128 9 TYR HD1 H 6.764 0.020 1 64 128 9 TYR HD2 H 6.764 0.020 1 65 128 9 TYR HE1 H 6.540 0.020 1 66 128 9 TYR HE2 H 6.540 0.020 1 67 128 9 TYR CA C 57.556 0.3 1 68 128 9 TYR CB C 39.579 0.3 1 69 128 9 TYR CD1 C 132.681 0.3 1 70 128 9 TYR CE1 C 117.949 0.3 1 71 128 9 TYR N N 117.715 0.3 1 72 129 10 MET H H 8.961 0.020 1 73 129 10 MET HA H 4.408 0.020 1 74 129 10 MET HB2 H 0.904 0.020 2 75 129 10 MET HB3 H 1.482 0.020 2 76 129 10 MET HE H 1.878 0.020 1 77 129 10 MET HG2 H 2.132 0.020 2 78 129 10 MET HG3 H 2.105 0.020 2 79 129 10 MET CA C 53.363 0.3 1 80 129 10 MET CB C 34.069 0.3 1 81 129 10 MET CE C 16.656 0.3 1 82 129 10 MET CG C 31.355 0.3 1 83 129 10 MET N N 121.145 0.3 1 84 130 11 LEU H H 7.994 0.020 1 85 130 11 LEU HA H 4.360 0.020 1 86 130 11 LEU HB2 H 0.868 0.020 2 87 130 11 LEU HB3 H 1.493 0.020 2 88 130 11 LEU HD1 H -0.104 0.020 2 89 130 11 LEU HD2 H 0.525 0.020 2 90 130 11 LEU HG H 1.277 0.020 1 91 130 11 LEU CA C 52.891 0.3 1 92 130 11 LEU CB C 43.126 0.3 1 93 130 11 LEU CD1 C 21.348 0.3 1 94 130 11 LEU CD2 C 25.346 0.3 1 95 130 11 LEU CG C 25.643 0.3 1 96 130 11 LEU N N 121.287 0.3 1 97 131 12 GLY H H 9.237 0.020 1 98 131 12 GLY HA2 H 4.332 0.020 1 99 131 12 GLY CA C 44.568 0.3 1 100 131 12 GLY N N 114.880 0.3 1 101 132 13 SER H H 8.206 0.020 1 102 132 13 SER HA H 4.305 0.020 1 103 132 13 SER HB2 H 3.807 0.020 2 104 132 13 SER HB3 H 3.869 0.020 2 105 132 13 SER CA C 58.015 0.3 1 106 132 13 SER CB C 63.588 0.3 1 107 132 13 SER N N 113.557 0.3 1 108 133 14 ALA H H 8.636 0.020 1 109 133 14 ALA HA H 4.314 0.020 1 110 133 14 ALA HB H 1.164 0.020 1 111 133 14 ALA CA C 52.427 0.3 1 112 133 14 ALA CB C 17.979 0.3 1 113 133 14 ALA N N 125.411 0.3 1 114 134 15 MET H H 8.695 0.020 1 115 134 15 MET HA H 4.635 0.020 1 116 134 15 MET HB2 H 1.947 0.020 2 117 134 15 MET HB3 H 1.876 0.020 2 118 134 15 MET HE H 2.093 0.020 1 119 134 15 MET HG2 H 2.436 0.020 2 120 134 15 MET HG3 H 2.346 0.020 2 121 134 15 MET CA C 53.467 0.3 1 122 134 15 MET CB C 36.250 0.3 1 123 134 15 MET CE C 17.441 0.3 1 124 134 15 MET CG C 31.062 0.3 1 125 134 15 MET N N 121.358 0.3 1 126 135 16 SER H H 8.324 0.020 1 127 135 16 SER HA H 4.234 0.020 1 128 135 16 SER HB2 H 3.731 0.020 2 129 135 16 SER HB3 H 3.648 0.020 2 130 135 16 SER CA C 58.226 0.3 1 131 135 16 SER CB C 62.627 0.3 1 132 135 16 SER N N 115.924 0.3 1 133 136 17 ARG H H 8.569 0.020 1 134 136 17 ARG HA H 4.274 0.020 1 135 136 17 ARG HB2 H 1.740 0.020 2 136 136 17 ARG HB3 H 1.678 0.020 2 137 136 17 ARG HD2 H 2.958 0.020 2 138 136 17 ARG HD3 H 2.845 0.020 2 139 136 17 ARG HE H 6.786 0.020 1 140 136 17 ARG HG2 H 1.543 0.020 1 141 136 17 ARG HG3 H 1.543 0.020 1 142 136 17 ARG CA C 54.357 0.3 1 143 136 17 ARG CB C 28.322 0.3 1 144 136 17 ARG CD C 43.402 0.3 1 145 136 17 ARG N N 126.264 0.3 1 146 136 17 ARG NE N 85.458 0.3 1 147 137 18 PRO HA H 4.320 0.020 1 148 137 18 PRO HB2 H 1.662 0.020 2 149 137 18 PRO HB3 H 2.132 0.020 2 150 137 18 PRO HD2 H 3.545 0.020 2 151 137 18 PRO HD3 H 3.815 0.020 2 152 137 18 PRO HG2 H 1.914 0.020 1 153 137 18 PRO HG3 H 1.914 0.020 1 154 137 18 PRO CA C 61.834 0.3 1 155 137 18 PRO CB C 31.803 0.3 1 156 137 18 PRO CD C 50.106 0.3 1 157 137 18 PRO CG C 26.829 0.3 1 158 138 19 MET H H 8.641 0.020 1 159 138 19 MET HA H 4.766 0.020 1 160 138 19 MET HB2 H 1.899 0.020 1 161 138 19 MET HB3 H 1.899 0.020 1 162 138 19 MET HE H 2.022 0.020 1 163 138 19 MET HG2 H 2.580 0.020 2 164 138 19 MET HG3 H 2.227 0.020 2 165 138 19 MET CA C 53.568 0.3 1 166 138 19 MET CB C 29.801 0.3 1 167 138 19 MET CE C 16.014 0.3 1 168 138 19 MET CG C 31.383 0.3 1 169 138 19 MET N N 122.024 0.3 1 170 139 20 ILE H H 6.477 0.020 1 171 139 20 ILE HA H 3.719 0.020 1 172 139 20 ILE HB H 0.682 0.020 1 173 139 20 ILE HD1 H 0.323 0.020 1 174 139 20 ILE HG12 H 0.783 0.020 2 175 139 20 ILE HG13 H 0.616 0.020 2 176 139 20 ILE HG2 H -0.228 0.020 1 177 139 20 ILE CA C 59.040 0.3 1 178 139 20 ILE CB C 38.525 0.3 1 179 139 20 ILE CD1 C 12.040 0.3 1 180 139 20 ILE CG1 C 26.198 0.3 1 181 139 20 ILE CG2 C 16.679 0.3 1 182 139 20 ILE N N 124.484 0.3 1 183 140 21 HIS H H 8.109 0.020 1 184 140 21 HIS HA H 4.803 0.020 1 185 140 21 HIS HB2 H 3.189 0.020 2 186 140 21 HIS HB3 H 2.842 0.020 2 187 140 21 HIS HD2 H 7.126 0.020 1 188 140 21 HIS HE1 H 8.488 0.020 1 189 140 21 HIS CA C 53.572 0.3 1 190 140 21 HIS CB C 28.992 0.3 1 191 140 21 HIS CD2 C 119.554 0.3 1 192 140 21 HIS CE1 C 136.226 0.3 1 193 140 21 HIS N N 121.767 0.3 1 194 141 22 PHE H H 10.355 0.020 1 195 141 22 PHE HA H 4.152 0.020 1 196 141 22 PHE HB2 H 2.677 0.020 2 197 141 22 PHE HB3 H 3.178 0.020 2 198 141 22 PHE HD1 H 7.202 0.020 1 199 141 22 PHE HD2 H 7.202 0.020 1 200 141 22 PHE HE1 H 6.799 0.020 1 201 141 22 PHE HE2 H 6.799 0.020 1 202 141 22 PHE HZ H 6.647 0.020 1 203 141 22 PHE CA C 59.194 0.3 1 204 141 22 PHE CB C 40.397 0.3 1 205 141 22 PHE CD1 C 131.837 0.3 1 206 141 22 PHE CE1 C 130.842 0.3 1 207 141 22 PHE CZ C 128.787 0.3 1 208 141 22 PHE N N 124.620 0.3 1 209 142 23 GLY H H 8.921 0.020 1 210 142 23 GLY HA2 H 4.015 0.020 1 211 142 23 GLY CA C 45.305 0.3 1 212 142 23 GLY N N 108.947 0.3 1 213 143 24 ASN H H 7.107 0.020 1 214 143 24 ASN HA H 4.777 0.020 1 215 143 24 ASN HB2 H 2.608 0.020 1 216 143 24 ASN HB3 H 2.608 0.020 1 217 143 24 ASN HD21 H 7.495 0.020 1 218 143 24 ASN HD22 H 7.279 0.020 1 219 143 24 ASN CA C 52.099 0.3 1 220 143 24 ASN CB C 41.078 0.3 1 221 143 24 ASN N N 114.447 0.3 1 222 143 24 ASN ND2 N 115.463 0.3 1 223 144 25 ASP H H 8.942 0.020 1 224 144 25 ASP HA H 4.338 0.020 1 225 144 25 ASP HB2 H 2.673 0.020 1 226 144 25 ASP HB3 H 2.673 0.020 1 227 144 25 ASP CA C 57.377 0.3 1 228 144 25 ASP CB C 40.549 0.3 1 229 144 25 ASP N N 123.492 0.3 1 230 145 26 TRP H H 8.425 0.020 1 231 145 26 TRP HA H 4.130 0.020 1 232 145 26 TRP HB2 H 3.318 0.020 1 233 145 26 TRP HB3 H 3.318 0.020 1 234 145 26 TRP HD1 H 7.246 0.020 1 235 145 26 TRP HE1 H 10.132 0.020 1 236 145 26 TRP HE3 H 7.250 0.020 1 237 145 26 TRP HH2 H 6.784 0.020 1 238 145 26 TRP HZ2 H 7.331 0.020 1 239 145 26 TRP HZ3 H 6.622 0.020 1 240 145 26 TRP CA C 61.350 0.3 1 241 145 26 TRP CB C 27.852 0.3 1 242 145 26 TRP CD1 C 127.341 0.3 1 243 145 26 TRP CE3 C 120.276 0.3 1 244 145 26 TRP CH2 C 124.651 0.3 1 245 145 26 TRP CZ2 C 111.630 0.3 1 246 145 26 TRP CZ3 C 120.845 0.3 1 247 145 26 TRP N N 120.415 0.3 1 248 145 26 TRP NE1 N 129.485 0.3 1 249 146 27 GLU H H 8.090 0.020 1 250 146 27 GLU HA H 3.341 0.020 1 251 146 27 GLU HB2 H 1.728 0.020 2 252 146 27 GLU HB3 H 1.154 0.020 2 253 146 27 GLU HG2 H 2.023 0.020 2 254 146 27 GLU HG3 H 1.488 0.020 2 255 146 27 GLU CA C 59.374 0.3 1 256 146 27 GLU CB C 28.923 0.3 1 257 146 27 GLU CG C 36.417 0.3 1 258 146 27 GLU N N 120.179 0.3 1 259 147 28 ASP H H 7.906 0.020 1 260 147 28 ASP HA H 4.578 0.020 1 261 147 28 ASP HB2 H 2.730 0.020 2 262 147 28 ASP HB3 H 2.824 0.020 2 263 147 28 ASP CA C 58.049 0.3 1 264 147 28 ASP CB C 39.998 0.3 1 265 147 28 ASP N N 118.937 0.3 1 266 148 29 ARG H H 7.942 0.020 1 267 148 29 ARG HA H 3.870 0.020 1 268 148 29 ARG HB2 H 1.763 0.020 1 269 148 29 ARG HB3 H 1.763 0.020 1 270 148 29 ARG HD2 H 3.104 0.020 2 271 148 29 ARG HD3 H 3.080 0.020 2 272 148 29 ARG HE H 7.340 0.020 1 273 148 29 ARG HG2 H 1.618 0.020 2 274 148 29 ARG HG3 H 1.386 0.020 2 275 148 29 ARG CA C 59.155 0.3 1 276 148 29 ARG CB C 29.395 0.3 1 277 148 29 ARG CD C 43.121 0.3 1 278 148 29 ARG CG C 27.231 0.3 1 279 148 29 ARG N N 119.895 0.3 1 280 148 29 ARG NE N 85.055 0.3 1 281 149 30 TYR H H 8.173 0.020 1 282 149 30 TYR HA H 3.629 0.020 1 283 149 30 TYR HB2 H 2.561 0.020 2 284 149 30 TYR HB3 H 2.207 0.020 2 285 149 30 TYR HD1 H 6.775 0.020 1 286 149 30 TYR HD2 H 6.775 0.020 1 287 149 30 TYR HE1 H 6.790 0.020 1 288 149 30 TYR HE2 H 6.790 0.020 1 289 149 30 TYR CA C 61.752 0.3 1 290 149 30 TYR CB C 37.760 0.3 1 291 149 30 TYR CD1 C 133.332 0.3 1 292 149 30 TYR CE1 C 117.637 0.3 1 293 149 30 TYR N N 120.828 0.3 1 294 150 31 TYR H H 8.894 0.020 1 295 150 31 TYR HA H 3.978 0.020 1 296 150 31 TYR HB2 H 3.442 0.020 2 297 150 31 TYR HB3 H 3.103 0.020 2 298 150 31 TYR HD1 H 7.373 0.020 1 299 150 31 TYR HD2 H 7.373 0.020 1 300 150 31 TYR HE1 H 6.908 0.020 1 301 150 31 TYR HE2 H 6.908 0.020 1 302 150 31 TYR CA C 62.639 0.3 1 303 150 31 TYR CB C 37.985 0.3 1 304 150 31 TYR CD1 C 133.270 0.3 1 305 150 31 TYR CE1 C 118.117 0.3 1 306 150 31 TYR N N 120.258 0.3 1 307 151 32 ARG H H 7.803 0.020 1 308 151 32 ARG HA H 3.748 0.020 1 309 151 32 ARG HB2 H 1.855 0.020 2 310 151 32 ARG HB3 H 1.919 0.020 2 311 151 32 ARG HD2 H 3.245 0.020 2 312 151 32 ARG HD3 H 3.177 0.020 2 313 151 32 ARG HE H 7.370 0.020 1 314 151 32 ARG HG2 H 1.882 0.020 2 315 151 32 ARG HG3 H 1.644 0.020 2 316 151 32 ARG CA C 59.492 0.3 1 317 151 32 ARG CB C 29.355 0.3 1 318 151 32 ARG CD C 43.121 0.3 1 319 151 32 ARG CG C 27.899 0.3 1 320 151 32 ARG N N 117.125 0.3 1 321 151 32 ARG NE N 84.752 0.3 1 322 152 33 GLU H H 7.752 0.020 1 323 152 33 GLU HA H 4.002 0.020 1 324 152 33 GLU HB2 H 1.778 0.020 1 325 152 33 GLU HB3 H 1.778 0.020 1 326 152 33 GLU HG2 H 2.353 0.020 2 327 152 33 GLU HG3 H 2.164 0.020 2 328 152 33 GLU CA C 57.211 0.3 1 329 152 33 GLU CB C 29.216 0.3 1 330 152 33 GLU CG C 35.089 0.3 1 331 152 33 GLU N N 115.212 0.3 1 332 153 34 ASN H H 7.443 0.020 1 333 153 34 ASN HA H 4.401 0.020 1 334 153 34 ASN HB2 H 2.127 0.020 2 335 153 34 ASN HB3 H 2.028 0.020 2 336 153 34 ASN HD21 H 6.617 0.020 1 337 153 34 ASN HD22 H 6.405 0.020 1 338 153 34 ASN CA C 54.339 0.3 1 339 153 34 ASN CB C 40.739 0.3 1 340 153 34 ASN N N 115.159 0.3 1 341 153 34 ASN ND2 N 116.536 0.3 1 342 154 35 MET H H 7.721 0.020 1 343 154 35 MET HA H 3.358 0.020 1 344 154 35 MET HB2 H 1.472 0.020 2 345 154 35 MET HB3 H 1.154 0.020 2 346 154 35 MET HE H 1.811 0.020 1 347 154 35 MET HG2 H 2.164 0.020 2 348 154 35 MET HG3 H 1.667 0.020 2 349 154 35 MET CA C 58.743 0.3 1 350 154 35 MET CB C 30.167 0.3 1 351 154 35 MET CE C 16.852 0.3 1 352 154 35 MET CG C 29.695 0.3 1 353 154 35 MET N N 118.195 0.3 1 354 155 36 TYR H H 7.498 0.020 1 355 155 36 TYR HA H 4.033 0.020 1 356 155 36 TYR HB2 H 2.828 0.020 2 357 155 36 TYR HB3 H 2.901 0.020 2 358 155 36 TYR HD1 H 6.974 0.020 1 359 155 36 TYR HD2 H 6.974 0.020 1 360 155 36 TYR HE1 H 6.783 0.020 1 361 155 36 TYR HE2 H 6.783 0.020 1 362 155 36 TYR CA C 58.885 0.3 1 363 155 36 TYR CB C 35.756 0.3 1 364 155 36 TYR CD1 C 132.963 0.3 1 365 155 36 TYR CE1 C 118.201 0.3 1 366 155 36 TYR N N 116.097 0.3 1 367 156 37 ARG H H 7.427 0.020 1 368 156 37 ARG HA H 3.927 0.020 1 369 156 37 ARG HB2 H 1.220 0.020 2 370 156 37 ARG HB3 H 1.844 0.020 2 371 156 37 ARG HD2 H 3.089 0.020 2 372 156 37 ARG HD3 H 2.970 0.020 2 373 156 37 ARG HE H 7.153 0.020 1 374 156 37 ARG HG2 H 1.157 0.020 2 375 156 37 ARG HG3 H 0.549 0.020 2 376 156 37 ARG HH21 H 6.318 0.020 1 377 156 37 ARG CA C 55.894 0.3 1 378 156 37 ARG CB C 30.208 0.3 1 379 156 37 ARG CD C 43.948 0.3 1 380 156 37 ARG CG C 26.907 0.3 1 381 156 37 ARG N N 118.348 0.3 1 382 156 37 ARG NE N 84.529 0.3 1 383 157 38 TYR H H 7.224 0.020 1 384 157 38 TYR HA H 4.928 0.020 1 385 157 38 TYR HB2 H 3.001 0.020 1 386 157 38 TYR HB3 H 3.001 0.020 1 387 157 38 TYR HD1 H 6.825 0.020 1 388 157 38 TYR HD2 H 6.825 0.020 1 389 157 38 TYR HE1 H 6.434 0.020 1 390 157 38 TYR HE2 H 6.434 0.020 1 391 157 38 TYR CA C 52.461 0.3 1 392 157 38 TYR CB C 34.727 0.3 1 393 157 38 TYR CD1 C 131.118 0.3 1 394 157 38 TYR CE1 C 117.055 0.3 1 395 157 38 TYR N N 120.326 0.3 1 396 158 39 PRO HA H 4.348 0.020 1 397 158 39 PRO HB2 H 1.628 0.020 2 398 158 39 PRO HB3 H 2.322 0.020 2 399 158 39 PRO HD2 H 3.091 0.020 2 400 158 39 PRO HD3 H 3.328 0.020 2 401 158 39 PRO HG2 H 1.473 0.020 2 402 158 39 PRO HG3 H 1.261 0.020 2 403 158 39 PRO CA C 63.068 0.3 1 404 158 39 PRO CB C 31.954 0.3 1 405 158 39 PRO CD C 49.606 0.3 1 406 158 39 PRO CG C 26.788 0.3 1 407 159 40 ASN H H 8.335 0.020 1 408 159 40 ASN HA H 4.624 0.020 1 409 159 40 ASN HB2 H 3.619 0.020 2 410 159 40 ASN HB3 H 2.284 0.020 2 411 159 40 ASN HD21 H 7.402 0.020 1 412 159 40 ASN HD22 H 6.709 0.020 1 413 159 40 ASN CA C 51.258 0.3 1 414 159 40 ASN CB C 37.688 0.3 1 415 159 40 ASN N N 115.546 0.3 1 416 159 40 ASN ND2 N 108.949 0.3 1 417 160 41 GLN H H 7.131 0.020 1 418 160 41 GLN HA H 4.494 0.020 1 419 160 41 GLN HB2 H 1.855 0.020 2 420 160 41 GLN HB3 H 1.593 0.020 2 421 160 41 GLN HE21 H 7.793 0.020 1 422 160 41 GLN HE22 H 6.902 0.020 1 423 160 41 GLN HG2 H 1.864 0.020 2 424 160 41 GLN HG3 H 1.595 0.020 2 425 160 41 GLN CA C 53.708 0.3 1 426 160 41 GLN CB C 33.029 0.3 1 427 160 41 GLN CG C 33.277 0.3 1 428 160 41 GLN N N 113.770 0.3 1 429 160 41 GLN NE2 N 112.575 0.3 1 430 161 42 VAL H H 8.385 0.020 1 431 161 42 VAL HA H 4.814 0.020 1 432 161 42 VAL HB H 2.485 0.020 1 433 161 42 VAL HG1 H 0.857 0.020 2 434 161 42 VAL HG2 H 0.638 0.020 2 435 161 42 VAL CA C 58.260 0.3 1 436 161 42 VAL CB C 33.562 0.3 1 437 161 42 VAL CG1 C 23.341 0.3 1 438 161 42 VAL CG2 C 17.720 0.3 1 439 161 42 VAL N N 112.806 0.3 1 440 162 43 TYR H H 8.362 0.020 1 441 162 43 TYR HA H 5.461 0.020 1 442 162 43 TYR HB2 H 2.505 0.020 2 443 162 43 TYR HB3 H 2.448 0.020 2 444 162 43 TYR HD1 H 6.810 0.020 1 445 162 43 TYR HD2 H 6.810 0.020 1 446 162 43 TYR HE1 H 6.660 0.020 1 447 162 43 TYR HE2 H 6.660 0.020 1 448 162 43 TYR CA C 56.408 0.3 1 449 162 43 TYR CB C 41.531 0.3 1 450 162 43 TYR CD1 C 132.755 0.3 1 451 162 43 TYR CE1 C 118.114 0.3 1 452 162 43 TYR N N 121.134 0.3 1 453 163 44 TYR H H 8.449 0.020 1 454 163 44 TYR HA H 4.747 0.020 1 455 163 44 TYR HB2 H 2.768 0.020 2 456 163 44 TYR HB3 H 2.594 0.020 2 457 163 44 TYR HD1 H 7.045 0.020 1 458 163 44 TYR HD2 H 7.045 0.020 1 459 163 44 TYR HE1 H 6.401 0.020 1 460 163 44 TYR HE2 H 6.401 0.020 1 461 163 44 TYR CA C 55.523 0.3 1 462 163 44 TYR CB C 39.635 0.3 1 463 163 44 TYR CD1 C 133.877 0.3 1 464 163 44 TYR CE1 C 117.585 0.3 1 465 163 44 TYR N N 110.847 0.3 1 466 164 45 ARG H H 7.895 0.020 1 467 164 45 ARG HA H 4.546 0.020 1 468 164 45 ARG HB2 H 1.787 0.020 2 469 164 45 ARG HB3 H 1.588 0.020 2 470 164 45 ARG HD2 H 2.734 0.020 2 471 164 45 ARG HD3 H 2.777 0.020 2 472 164 45 ARG HE H 6.490 0.020 1 473 164 45 ARG HG2 H 0.893 0.020 2 474 164 45 ARG HG3 H 1.041 0.020 2 475 164 45 ARG CA C 53.102 0.3 1 476 164 45 ARG CB C 29.446 0.3 1 477 164 45 ARG CD C 43.202 0.3 1 478 164 45 ARG CG C 27.409 0.3 1 479 164 45 ARG N N 120.392 0.3 1 480 164 45 ARG NE N 84.512 0.3 1 481 165 46 PRO HA H 4.491 0.020 1 482 165 46 PRO HB2 H 1.745 0.020 2 483 165 46 PRO HB3 H 2.327 0.020 2 484 165 46 PRO HD2 H 3.570 0.020 2 485 165 46 PRO HD3 H 3.352 0.020 2 486 165 46 PRO HG2 H 2.012 0.020 2 487 165 46 PRO HG3 H 1.914 0.020 2 488 165 46 PRO CA C 63.107 0.3 1 489 165 46 PRO CB C 32.012 0.3 1 490 165 46 PRO CD C 49.629 0.3 1 491 165 46 PRO CG C 27.743 0.3 1 492 166 47 VAL H H 8.563 0.020 1 493 166 47 VAL HA H 4.147 0.020 1 494 166 47 VAL HB H 1.919 0.020 1 495 166 47 VAL HG1 H 0.638 0.020 2 496 166 47 VAL HG2 H 0.661 0.020 2 497 166 47 VAL CA C 65.218 0.3 1 498 166 47 VAL CB C 31.681 0.3 1 499 166 47 VAL CG1 C 21.187 0.3 1 500 166 47 VAL CG2 C 21.401 0.3 1 501 166 47 VAL N N 120.257 0.3 1 502 167 48 SER H H 7.846 0.020 1 503 167 48 SER HA H 4.146 0.020 1 504 167 48 SER HB2 H 3.914 0.020 2 505 167 48 SER HB3 H 3.613 0.020 2 506 167 48 SER CA C 58.685 0.3 1 507 167 48 SER CB C 62.423 0.3 1 508 167 48 SER N N 113.678 0.3 1 509 168 49 GLN H H 8.131 0.020 1 510 168 49 GLN HA H 4.036 0.020 1 511 168 49 GLN HB2 H 1.782 0.020 2 512 168 49 GLN HB3 H 1.660 0.020 2 513 168 49 GLN HE21 H 7.280 0.020 1 514 168 49 GLN HE22 H 6.734 0.020 1 515 168 49 GLN HG2 H 2.101 0.020 2 516 168 49 GLN HG3 H 2.038 0.020 2 517 168 49 GLN CA C 55.686 0.3 1 518 168 49 GLN CB C 27.117 0.3 1 519 168 49 GLN CG C 33.730 0.3 1 520 168 49 GLN N N 119.407 0.3 1 521 168 49 GLN NE2 N 111.316 0.3 1 522 169 50 TYR H H 7.834 0.020 1 523 169 50 TYR HA H 4.819 0.020 1 524 169 50 TYR HB2 H 3.226 0.020 2 525 169 50 TYR HB3 H 2.947 0.020 2 526 169 50 TYR HD1 H 7.251 0.020 1 527 169 50 TYR HD2 H 7.251 0.020 1 528 169 50 TYR HE1 H 6.832 0.020 1 529 169 50 TYR HE2 H 6.832 0.020 1 530 169 50 TYR CA C 56.733 0.3 1 531 169 50 TYR CB C 41.656 0.3 1 532 169 50 TYR CD1 C 133.831 0.3 1 533 169 50 TYR CE1 C 118.509 0.3 1 534 169 50 TYR N N 116.907 0.3 1 535 170 51 SER H H 9.050 0.020 1 536 170 51 SER HA H 4.470 0.020 1 537 170 51 SER HB2 H 3.940 0.020 2 538 170 51 SER HB3 H 3.859 0.020 2 539 170 51 SER CA C 58.415 0.3 1 540 170 51 SER CB C 63.624 0.3 1 541 170 51 SER N N 115.030 0.3 1 542 171 52 ASN H H 7.543 0.020 1 543 171 52 ASN HA H 4.696 0.020 1 544 171 52 ASN HB2 H 3.063 0.020 2 545 171 52 ASN HB3 H 2.887 0.020 2 546 171 52 ASN HD21 H 7.398 0.020 1 547 171 52 ASN HD22 H 6.499 0.020 1 548 171 52 ASN CA C 52.108 0.3 1 549 171 52 ASN CB C 39.779 0.3 1 550 171 52 ASN N N 114.643 0.3 1 551 171 52 ASN ND2 N 112.806 0.3 1 552 172 53 GLN H H 8.499 0.020 1 553 172 53 GLN HA H 2.771 0.020 1 554 172 53 GLN HB2 H 1.514 0.020 1 555 172 53 GLN HB3 H 1.514 0.020 1 556 172 53 GLN HE21 H 6.920 0.020 1 557 172 53 GLN HE22 H 6.825 0.020 1 558 172 53 GLN HG2 H 1.652 0.020 2 559 172 53 GLN HG3 H 1.085 0.020 2 560 172 53 GLN CA C 58.407 0.3 1 561 172 53 GLN CB C 28.923 0.3 1 562 172 53 GLN CG C 33.183 0.3 1 563 172 53 GLN N N 119.857 0.3 1 564 172 53 GLN NE2 N 111.112 0.3 1 565 173 54 LYS H H 8.128 0.020 1 566 173 54 LYS HA H 3.718 0.020 1 567 173 54 LYS HB2 H 1.583 0.020 2 568 173 54 LYS HB3 H 1.690 0.020 2 569 173 54 LYS HD2 H 1.541 0.020 1 570 173 54 LYS HD3 H 1.541 0.020 1 571 173 54 LYS HE2 H 2.848 0.020 1 572 173 54 LYS HE3 H 2.848 0.020 1 573 173 54 LYS HG2 H 1.325 0.020 2 574 173 54 LYS HG3 H 1.193 0.020 2 575 173 54 LYS CA C 59.450 0.3 1 576 173 54 LYS CB C 31.345 0.3 1 577 173 54 LYS CD C 28.804 0.3 1 578 173 54 LYS CE C 41.516 0.3 1 579 173 54 LYS CG C 24.406 0.3 1 580 173 54 LYS N N 119.155 0.3 1 581 174 55 ASN H H 8.417 0.020 1 582 174 55 ASN HA H 4.475 0.020 1 583 174 55 ASN HB2 H 2.840 0.020 2 584 174 55 ASN HB3 H 3.102 0.020 2 585 174 55 ASN HD21 H 7.579 0.020 1 586 174 55 ASN HD22 H 7.039 0.020 1 587 174 55 ASN CA C 55.442 0.3 1 588 174 55 ASN CB C 37.670 0.3 1 589 174 55 ASN N N 117.717 0.3 1 590 174 55 ASN ND2 N 111.360 0.3 1 591 175 56 PHE H H 7.158 0.020 1 592 175 56 PHE HA H 2.667 0.020 1 593 175 56 PHE HB2 H 2.430 0.020 2 594 175 56 PHE HB3 H 2.992 0.020 2 595 175 56 PHE HD1 H 7.098 0.020 1 596 175 56 PHE HD2 H 7.098 0.020 1 597 175 56 PHE HE1 H 7.777 0.020 1 598 175 56 PHE HE2 H 7.777 0.020 1 599 175 56 PHE HZ H 6.602 0.020 1 600 175 56 PHE CA C 60.578 0.3 1 601 175 56 PHE CB C 38.344 0.3 1 602 175 56 PHE CD1 C 132.617 0.3 1 603 175 56 PHE CE1 C 132.132 0.3 1 604 175 56 PHE CZ C 128.960 0.3 1 605 175 56 PHE N N 121.762 0.3 1 606 176 57 VAL H H 8.820 0.020 1 607 176 57 VAL HA H 3.303 0.020 1 608 176 57 VAL HB H 2.074 0.020 1 609 176 57 VAL HG1 H 0.943 0.020 2 610 176 57 VAL HG2 H 0.953 0.020 2 611 176 57 VAL CA C 67.196 0.3 1 612 176 57 VAL CB C 31.488 0.3 1 613 176 57 VAL CG1 C 21.414 0.3 1 614 176 57 VAL CG2 C 24.132 0.3 1 615 176 57 VAL N N 120.170 0.3 1 616 177 58 HIS H H 8.298 0.020 1 617 177 58 HIS HA H 4.181 0.020 1 618 177 58 HIS HB2 H 3.254 0.020 1 619 177 58 HIS HB3 H 3.254 0.020 1 620 177 58 HIS HD2 H 7.326 0.020 1 621 177 58 HIS HE1 H 8.550 0.020 1 622 177 58 HIS CA C 58.786 0.3 1 623 177 58 HIS CB C 28.036 0.3 1 624 177 58 HIS CD2 C 120.078 0.3 1 625 177 58 HIS CE1 C 136.290 0.3 1 626 177 58 HIS N N 116.805 0.3 1 627 178 59 ASP H H 7.398 0.020 1 628 178 59 ASP HA H 4.440 0.020 1 629 178 59 ASP HB2 H 2.876 0.020 2 630 178 59 ASP HB3 H 2.834 0.020 2 631 178 59 ASP CA C 56.636 0.3 1 632 178 59 ASP CB C 40.425 0.3 1 633 178 59 ASP N N 118.326 0.3 1 634 179 60 CYS H H 8.047 0.020 1 635 179 60 CYS HA H 4.594 0.020 1 636 179 60 CYS HB2 H 3.081 0.020 2 637 179 60 CYS HB3 H 2.697 0.020 2 638 179 60 CYS CA C 58.204 0.3 1 639 179 60 CYS CB C 40.418 0.3 1 640 179 60 CYS N N 119.541 0.3 1 641 180 61 VAL H H 9.076 0.020 1 642 180 61 VAL HA H 3.540 0.020 1 643 180 61 VAL HB H 2.034 0.020 1 644 180 61 VAL HG1 H 0.847 0.020 2 645 180 61 VAL HG2 H 0.961 0.020 2 646 180 61 VAL CA C 65.687 0.3 1 647 180 61 VAL CB C 31.442 0.3 1 648 180 61 VAL CG1 C 21.279 0.3 1 649 180 61 VAL CG2 C 23.260 0.3 1 650 180 61 VAL N N 124.359 0.3 1 651 181 62 ASN H H 7.483 0.020 1 652 181 62 ASN HA H 4.191 0.020 1 653 181 62 ASN HB2 H 2.707 0.020 2 654 181 62 ASN HB3 H 2.647 0.020 2 655 181 62 ASN HD21 H 7.514 0.020 1 656 181 62 ASN HD22 H 6.639 0.020 1 657 181 62 ASN CA C 56.172 0.3 1 658 181 62 ASN CB C 38.325 0.3 1 659 181 62 ASN N N 116.354 0.3 1 660 181 62 ASN ND2 N 111.529 0.3 1 661 182 63 ILE H H 8.698 0.020 1 662 182 63 ILE HA H 3.611 0.020 1 663 182 63 ILE HB H 1.465 0.020 1 664 182 63 ILE HD1 H 0.322 0.020 1 665 182 63 ILE HG12 H 0.763 0.020 1 666 182 63 ILE HG13 H 0.763 0.020 1 667 182 63 ILE HG2 H 0.119 0.020 1 668 182 63 ILE CA C 62.018 0.3 1 669 182 63 ILE CB C 36.167 0.3 1 670 182 63 ILE CD1 C 11.028 0.3 1 671 182 63 ILE CG1 C 27.165 0.3 1 672 182 63 ILE CG2 C 17.921 0.3 1 673 182 63 ILE N N 118.738 0.3 1 674 183 64 THR H H 8.008 0.020 1 675 183 64 THR HA H 3.945 0.020 1 676 183 64 THR HB H 4.386 0.020 1 677 183 64 THR HG2 H 1.395 0.020 1 678 183 64 THR CA C 68.324 0.3 1 679 183 64 THR CB C 67.834 0.3 1 680 183 64 THR CG2 C 21.876 0.3 1 681 183 64 THR N N 117.933 0.3 1 682 184 65 ILE H H 8.450 0.020 1 683 184 65 ILE HA H 3.618 0.020 1 684 184 65 ILE HB H 1.985 0.020 1 685 184 65 ILE HD1 H 0.671 0.020 1 686 184 65 ILE HG12 H 1.704 0.020 2 687 184 65 ILE HG13 H 1.141 0.020 2 688 184 65 ILE HG2 H 0.785 0.020 1 689 184 65 ILE CA C 65.204 0.3 1 690 184 65 ILE CB C 36.245 0.3 1 691 184 65 ILE CD1 C 12.411 0.3 1 692 184 65 ILE CG1 C 29.221 0.3 1 693 184 65 ILE CG2 C 16.399 0.3 1 694 184 65 ILE N N 120.648 0.3 1 695 185 66 LYS H H 7.952 0.020 1 696 185 66 LYS HA H 3.975 0.020 1 697 185 66 LYS HB2 H 1.833 0.020 1 698 185 66 LYS HB3 H 1.833 0.020 1 699 185 66 LYS HD2 H 1.499 0.020 1 700 185 66 LYS HD3 H 1.499 0.020 1 701 185 66 LYS HE2 H 2.805 0.020 1 702 185 66 LYS HE3 H 2.805 0.020 1 703 185 66 LYS HG2 H 1.377 0.020 2 704 185 66 LYS HG3 H 1.285 0.020 2 705 185 66 LYS CA C 59.222 0.3 1 706 185 66 LYS CB C 31.724 0.3 1 707 185 66 LYS CD C 28.624 0.3 1 708 185 66 LYS CE C 41.553 0.3 1 709 185 66 LYS CG C 24.656 0.3 1 710 185 66 LYS N N 122.510 0.3 1 711 186 67 GLN H H 8.190 0.020 1 712 186 67 GLN HA H 3.926 0.020 1 713 186 67 GLN HB2 H 1.858 0.020 2 714 186 67 GLN HB3 H 1.752 0.020 2 715 186 67 GLN HE21 H 6.635 0.020 1 716 186 67 GLN HE22 H 6.609 0.020 1 717 186 67 GLN HG2 H 1.970 0.020 2 718 186 67 GLN HG3 H 1.402 0.020 2 719 186 67 GLN CA C 57.007 0.3 1 720 186 67 GLN CB C 27.749 0.3 1 721 186 67 GLN CG C 32.960 0.3 1 722 186 67 GLN N N 116.028 0.3 1 723 186 67 GLN NE2 N 109.952 0.3 1 724 187 68 HIS H H 7.961 0.020 1 725 187 68 HIS HA H 4.505 0.020 1 726 187 68 HIS HB2 H 3.256 0.020 2 727 187 68 HIS HB3 H 3.199 0.020 2 728 187 68 HIS HD2 H 7.213 0.020 1 729 187 68 HIS HE1 H 8.174 0.020 1 730 187 68 HIS CA C 57.889 0.3 1 731 187 68 HIS CB C 29.501 0.3 1 732 187 68 HIS CD2 C 118.906 0.3 1 733 187 68 HIS CE1 C 135.610 0.3 1 734 187 68 HIS N N 117.305 0.3 1 735 188 69 THR H H 8.071 0.020 1 736 188 69 THR HA H 4.150 0.020 1 737 188 69 THR HB H 4.306 0.020 1 738 188 69 THR HG2 H 1.129 0.020 1 739 188 69 THR CA C 64.184 0.3 1 740 188 69 THR CB C 68.950 0.3 1 741 188 69 THR CG2 C 21.130 0.3 1 742 188 69 THR N N 113.487 0.3 1 743 189 70 VAL H H 7.893 0.020 1 744 189 70 VAL HA H 3.950 0.020 1 745 189 70 VAL HB H 2.102 0.020 1 746 189 70 VAL HG1 H 0.852 0.020 2 747 189 70 VAL HG2 H 0.908 0.020 2 748 189 70 VAL CA C 64.093 0.3 1 749 189 70 VAL CB C 31.692 0.3 1 750 189 70 VAL CG1 C 20.683 0.3 1 751 189 70 VAL CG2 C 20.920 0.3 1 752 189 70 VAL N N 121.707 0.3 1 753 190 71 THR H H 7.971 0.020 1 754 190 71 THR HA H 4.186 0.020 1 755 190 71 THR HB H 4.180 0.020 1 756 190 71 THR HG2 H 1.158 0.020 1 757 190 71 THR CA C 63.174 0.3 1 758 190 71 THR CB C 69.036 0.3 1 759 190 71 THR CG2 C 21.308 0.3 1 760 190 71 THR N N 115.166 0.3 1 761 191 72 THR H H 7.920 0.020 1 762 191 72 THR HA H 4.174 0.020 1 763 191 72 THR HB H 4.099 0.020 1 764 191 72 THR HG2 H 0.961 0.020 1 765 191 72 THR CA C 62.960 0.3 1 766 191 72 THR CB C 68.836 0.3 1 767 191 72 THR CG2 C 21.071 0.3 1 768 191 72 THR N N 114.877 0.3 1 769 192 73 THR H H 8.091 0.020 1 770 192 73 THR HA H 4.297 0.020 1 771 192 73 THR HB H 4.265 0.020 1 772 192 73 THR HG2 H 1.167 0.020 1 773 192 73 THR CA C 63.125 0.3 1 774 192 73 THR CB C 68.967 0.3 1 775 192 73 THR CG2 C 21.169 0.3 1 776 192 73 THR N N 116.045 0.3 1 777 193 74 THR H H 7.897 0.020 1 778 193 74 THR HA H 4.165 0.020 1 779 193 74 THR HB H 4.178 0.020 1 780 193 74 THR HG2 H 1.155 0.020 1 781 193 74 THR CA C 62.964 0.3 1 782 193 74 THR CB C 68.983 0.3 1 783 193 74 THR CG2 C 21.258 0.3 1 784 193 74 THR N N 115.946 0.3 1 785 194 75 LYS H H 7.886 0.020 1 786 194 75 LYS HA H 4.229 0.020 1 787 194 75 LYS HB2 H 1.822 0.020 2 788 194 75 LYS HB3 H 1.709 0.020 2 789 194 75 LYS HD2 H 1.567 0.020 1 790 194 75 LYS HD3 H 1.567 0.020 1 791 194 75 LYS HE2 H 2.877 0.020 1 792 194 75 LYS HE3 H 2.877 0.020 1 793 194 75 LYS HG2 H 1.395 0.020 2 794 194 75 LYS HG3 H 1.331 0.020 2 795 194 75 LYS CA C 56.184 0.3 1 796 194 75 LYS CB C 32.090 0.3 1 797 194 75 LYS CD C 28.572 0.3 1 798 194 75 LYS CE C 41.689 0.3 1 799 194 75 LYS CG C 24.402 0.3 1 800 194 75 LYS N N 121.482 0.3 1 801 195 76 GLY H H 8.098 0.020 1 802 195 76 GLY HA2 H 3.940 0.020 1 803 195 76 GLY CA C 45.073 0.3 1 804 195 76 GLY N N 109.162 0.3 1 805 196 77 GLU H H 7.742 0.020 1 806 196 77 GLU HA H 4.161 0.020 1 807 196 77 GLU HB2 H 1.642 0.020 1 808 196 77 GLU HB3 H 1.642 0.020 1 809 196 77 GLU HG2 H 2.055 0.020 1 810 196 77 GLU HG3 H 2.055 0.020 1 811 196 77 GLU CA C 55.299 0.3 1 812 196 77 GLU CB C 29.857 0.3 1 813 196 77 GLU CG C 34.722 0.3 1 814 196 77 GLU N N 119.846 0.3 1 815 197 78 ASN H H 8.379 0.020 1 816 197 78 ASN HA H 4.567 0.020 1 817 197 78 ASN HB2 H 2.627 0.020 2 818 197 78 ASN HB3 H 2.546 0.020 2 819 197 78 ASN HD21 H 7.455 0.020 1 820 197 78 ASN HD22 H 6.757 0.020 1 821 197 78 ASN CA C 52.450 0.3 1 822 197 78 ASN CB C 39.354 0.3 1 823 197 78 ASN N N 119.819 0.3 1 824 197 78 ASN ND2 N 112.888 0.3 1 825 198 79 PHE H H 8.501 0.020 1 826 198 79 PHE HA H 5.140 0.020 1 827 198 79 PHE HB2 H 2.900 0.020 2 828 198 79 PHE HB3 H 3.078 0.020 2 829 198 79 PHE HD1 H 7.257 0.020 1 830 198 79 PHE HD2 H 7.257 0.020 1 831 198 79 PHE HE1 H 7.358 0.020 1 832 198 79 PHE HE2 H 7.358 0.020 1 833 198 79 PHE HZ H 7.280 0.020 1 834 198 79 PHE CA C 56.380 0.3 1 835 198 79 PHE CB C 39.525 0.3 1 836 198 79 PHE CD1 C 131.257 0.3 1 837 198 79 PHE CE1 C 129.679 0.3 1 838 198 79 PHE CZ C 131.172 0.3 1 839 198 79 PHE N N 121.810 0.3 1 840 199 80 THR H H 9.391 0.020 1 841 199 80 THR HA H 4.525 0.020 1 842 199 80 THR HB H 4.739 0.020 1 843 199 80 THR HG2 H 1.341 0.020 1 844 199 80 THR CA C 60.253 0.3 1 845 199 80 THR CB C 71.679 0.3 1 846 199 80 THR CG2 C 21.320 0.3 1 847 199 80 THR N N 116.118 0.3 1 848 200 81 GLU H H 9.024 0.020 1 849 200 81 GLU HA H 4.003 0.020 1 850 200 81 GLU HB2 H 2.046 0.020 2 851 200 81 GLU HB3 H 1.981 0.020 2 852 200 81 GLU HG2 H 2.348 0.020 2 853 200 81 GLU HG3 H 2.293 0.020 2 854 200 81 GLU CA C 59.268 0.3 1 855 200 81 GLU CB C 28.141 0.3 1 856 200 81 GLU CG C 34.847 0.3 1 857 200 81 GLU N N 119.823 0.3 1 858 201 82 THR H H 7.873 0.020 1 859 201 82 THR HA H 3.715 0.020 1 860 201 82 THR HB H 3.674 0.020 1 861 201 82 THR HG2 H 0.669 0.020 1 862 201 82 THR CA C 66.457 0.3 1 863 201 82 THR CB C 68.258 0.3 1 864 201 82 THR CG2 C 20.997 0.3 1 865 201 82 THR N N 116.208 0.3 1 866 202 83 ASP H H 7.424 0.020 1 867 202 83 ASP HA H 4.465 0.020 1 868 202 83 ASP HB2 H 3.156 0.020 2 869 202 83 ASP HB3 H 2.411 0.020 2 870 202 83 ASP CA C 57.522 0.3 1 871 202 83 ASP CB C 40.936 0.3 1 872 202 83 ASP N N 120.064 0.3 1 873 203 84 VAL H H 8.140 0.020 1 874 203 84 VAL HA H 3.257 0.020 1 875 203 84 VAL HB H 2.039 0.020 1 876 203 84 VAL HG1 H 0.914 0.020 2 877 203 84 VAL HG2 H 0.807 0.020 2 878 203 84 VAL CA C 67.260 0.3 1 879 203 84 VAL CB C 31.095 0.3 1 880 203 84 VAL CG1 C 22.362 0.3 1 881 203 84 VAL CG2 C 20.705 0.3 1 882 203 84 VAL N N 119.707 0.3 1 883 204 85 LYS H H 7.639 0.020 1 884 204 85 LYS HA H 3.967 0.020 1 885 204 85 LYS HB2 H 1.825 0.020 1 886 204 85 LYS HB3 H 1.825 0.020 1 887 204 85 LYS HD2 H 1.586 0.020 1 888 204 85 LYS HD3 H 1.586 0.020 1 889 204 85 LYS HE2 H 2.835 0.020 1 890 204 85 LYS HE3 H 2.835 0.020 1 891 204 85 LYS HG2 H 1.527 0.020 2 892 204 85 LYS HG3 H 1.339 0.020 2 893 204 85 LYS CA C 58.924 0.3 1 894 204 85 LYS CB C 31.621 0.3 1 895 204 85 LYS CD C 28.745 0.3 1 896 204 85 LYS CE C 41.624 0.3 1 897 204 85 LYS CG C 24.750 0.3 1 898 204 85 LYS N N 119.155 0.3 1 899 205 86 MET H H 8.127 0.020 1 900 205 86 MET HA H 4.046 0.020 1 901 205 86 MET HB2 H 2.218 0.020 2 902 205 86 MET HB3 H 1.801 0.020 2 903 205 86 MET HE H 1.400 0.020 1 904 205 86 MET HG2 H 2.907 0.020 2 905 205 86 MET HG3 H 2.243 0.020 2 906 205 86 MET CA C 59.271 0.3 1 907 205 86 MET CB C 32.379 0.3 1 908 205 86 MET CE C 17.711 0.3 1 909 205 86 MET CG C 33.480 0.3 1 910 205 86 MET N N 118.603 0.3 1 911 206 87 MET H H 8.637 0.020 1 912 206 87 MET HA H 3.448 0.020 1 913 206 87 MET HB2 H 1.825 0.020 2 914 206 87 MET HB3 H 1.675 0.020 2 915 206 87 MET HE H 1.414 0.020 1 916 206 87 MET HG2 H 1.912 0.020 2 917 206 87 MET HG3 H 1.745 0.020 2 918 206 87 MET CA C 59.171 0.3 1 919 206 87 MET CB C 32.818 0.3 1 920 206 87 MET CE C 15.813 0.3 1 921 206 87 MET CG C 32.078 0.3 1 922 206 87 MET N N 118.233 0.3 1 923 207 88 GLU H H 8.294 0.020 1 924 207 88 GLU HA H 3.578 0.020 1 925 207 88 GLU HB2 H 2.112 0.020 2 926 207 88 GLU HB3 H 1.974 0.020 2 927 207 88 GLU HG2 H 2.460 0.020 2 928 207 88 GLU HG3 H 2.124 0.020 2 929 207 88 GLU CA C 60.081 0.3 1 930 207 88 GLU CB C 27.617 0.3 1 931 207 88 GLU CG C 34.571 0.3 1 932 207 88 GLU N N 118.156 0.3 1 933 208 89 ARG H H 7.228 0.020 1 934 208 89 ARG HA H 4.061 0.020 1 935 208 89 ARG HB2 H 1.805 0.020 2 936 208 89 ARG HB3 H 1.970 0.020 2 937 208 89 ARG HD2 H 3.110 0.020 2 938 208 89 ARG HD3 H 3.030 0.020 2 939 208 89 ARG HE H 7.194 0.020 1 940 208 89 ARG HG2 H 1.686 0.020 2 941 208 89 ARG HG3 H 1.632 0.020 2 942 208 89 ARG CA C 57.943 0.3 1 943 208 89 ARG CB C 29.336 0.3 1 944 208 89 ARG CD C 42.047 0.3 1 945 208 89 ARG CG C 26.409 0.3 1 946 208 89 ARG N N 116.972 0.3 1 947 208 89 ARG NE N 83.197 0.3 1 948 209 90 VAL H H 8.109 0.020 1 949 209 90 VAL HA H 3.609 0.020 1 950 209 90 VAL HB H 2.190 0.020 1 951 209 90 VAL HG1 H 1.210 0.020 2 952 209 90 VAL HG2 H 1.127 0.020 2 953 209 90 VAL CA C 65.659 0.3 1 954 209 90 VAL CB C 31.893 0.3 1 955 209 90 VAL CG1 C 23.716 0.3 1 956 209 90 VAL CG2 C 20.614 0.3 1 957 209 90 VAL N N 119.263 0.3 1 958 210 91 VAL H H 8.858 0.020 1 959 210 91 VAL HA H 3.520 0.020 1 960 210 91 VAL HB H 2.140 0.020 1 961 210 91 VAL HG1 H 1.110 0.020 2 962 210 91 VAL HG2 H 0.866 0.020 2 963 210 91 VAL CA C 66.133 0.3 1 964 210 91 VAL CB C 30.792 0.3 1 965 210 91 VAL CG1 C 24.156 0.3 1 966 210 91 VAL CG2 C 23.716 0.3 1 967 210 91 VAL N N 120.351 0.3 1 968 211 92 GLU H H 8.095 0.020 1 969 211 92 GLU HA H 3.490 0.020 1 970 211 92 GLU HB2 H 2.117 0.020 2 971 211 92 GLU HB3 H 2.016 0.020 2 972 211 92 GLU HG2 H 2.121 0.020 2 973 211 92 GLU HG3 H 2.069 0.020 2 974 211 92 GLU CA C 60.625 0.3 1 975 211 92 GLU CB C 28.173 0.3 1 976 211 92 GLU CG C 35.063 0.3 1 977 211 92 GLU N N 120.321 0.3 1 978 212 93 GLN H H 7.149 0.020 1 979 212 93 GLN HA H 3.886 0.020 1 980 212 93 GLN HB2 H 2.055 0.020 2 981 212 93 GLN HB3 H 2.018 0.020 2 982 212 93 GLN HE21 H 7.309 0.020 1 983 212 93 GLN HE22 H 6.691 0.020 1 984 212 93 GLN HG2 H 2.355 0.020 2 985 212 93 GLN HG3 H 2.290 0.020 2 986 212 93 GLN CA C 58.656 0.3 1 987 212 93 GLN CB C 27.460 0.3 1 988 212 93 GLN CG C 33.407 0.3 1 989 212 93 GLN N N 115.510 0.3 1 990 212 93 GLN NE2 N 111.590 0.3 1 991 213 94 MET H H 8.174 0.020 1 992 213 94 MET HA H 4.040 0.020 1 993 213 94 MET HB2 H 2.047 0.020 2 994 213 94 MET HB3 H 1.946 0.020 2 995 213 94 MET HE H 1.809 0.020 1 996 213 94 MET HG2 H 2.737 0.020 2 997 213 94 MET HG3 H 2.383 0.020 2 998 213 94 MET CA C 59.551 0.3 1 999 213 94 MET CB C 33.852 0.3 1 1000 213 94 MET CE C 16.513 0.3 1 1001 213 94 MET CG C 32.159 0.3 1 1002 213 94 MET N N 119.320 0.3 1 1003 214 95 CYS H H 9.078 0.020 1 1004 214 95 CYS HA H 4.301 0.020 1 1005 214 95 CYS HB2 H 3.434 0.020 2 1006 214 95 CYS HB3 H 2.741 0.020 2 1007 214 95 CYS CA C 59.606 0.3 1 1008 214 95 CYS CB C 41.415 0.3 1 1009 214 95 CYS N N 119.088 0.3 1 1010 215 96 VAL H H 8.238 0.020 1 1011 215 96 VAL HA H 3.352 0.020 1 1012 215 96 VAL HB H 2.205 0.020 1 1013 215 96 VAL HG1 H 0.987 0.020 2 1014 215 96 VAL HG2 H 0.802 0.020 2 1015 215 96 VAL CA C 67.281 0.3 1 1016 215 96 VAL CB C 31.042 0.3 1 1017 215 96 VAL CG1 C 23.439 0.3 1 1018 215 96 VAL CG2 C 20.795 0.3 1 1019 215 96 VAL N N 123.285 0.3 1 1020 216 97 THR H H 8.035 0.020 1 1021 216 97 THR HA H 3.794 0.020 1 1022 216 97 THR HB H 4.201 0.020 1 1023 216 97 THR HG2 H 1.145 0.020 1 1024 216 97 THR CA C 66.616 0.3 1 1025 216 97 THR CB C 67.915 0.3 1 1026 216 97 THR CG2 C 21.893 0.3 1 1027 216 97 THR N N 118.020 0.3 1 1028 217 98 GLN H H 8.711 0.020 1 1029 217 98 GLN HA H 3.538 0.020 1 1030 217 98 GLN HB2 H 2.213 0.020 2 1031 217 98 GLN HB3 H 1.944 0.020 2 1032 217 98 GLN HE21 H 7.095 0.020 1 1033 217 98 GLN HE22 H 6.621 0.020 1 1034 217 98 GLN HG2 H 1.569 0.020 2 1035 217 98 GLN HG3 H 1.506 0.020 2 1036 217 98 GLN CA C 58.177 0.3 1 1037 217 98 GLN CB C 27.768 0.3 1 1038 217 98 GLN CG C 31.926 0.3 1 1039 217 98 GLN N N 122.360 0.3 1 1040 217 98 GLN NE2 N 114.074 0.3 1 1041 218 99 TYR H H 8.370 0.020 1 1042 218 99 TYR HA H 2.805 0.020 1 1043 218 99 TYR HB2 H 2.934 0.020 2 1044 218 99 TYR HB3 H 2.632 0.020 2 1045 218 99 TYR HD1 H 6.097 0.020 1 1046 218 99 TYR HD2 H 6.097 0.020 1 1047 218 99 TYR HE1 H 6.466 0.020 1 1048 218 99 TYR HE2 H 6.466 0.020 1 1049 218 99 TYR CA C 61.597 0.3 1 1050 218 99 TYR CB C 36.580 0.3 1 1051 218 99 TYR CD1 C 132.473 0.3 1 1052 218 99 TYR CE1 C 117.414 0.3 1 1053 218 99 TYR N N 119.721 0.3 1 1054 219 100 GLN H H 8.098 0.020 1 1055 219 100 GLN HA H 3.620 0.020 1 1056 219 100 GLN HB2 H 2.208 0.020 2 1057 219 100 GLN HB3 H 1.976 0.020 2 1058 219 100 GLN HE21 H 7.320 0.020 1 1059 219 100 GLN HE22 H 6.713 0.020 1 1060 219 100 GLN HG2 H 2.583 0.020 2 1061 219 100 GLN HG3 H 2.353 0.020 2 1062 219 100 GLN CA C 58.586 0.3 1 1063 219 100 GLN CB C 27.205 0.3 1 1064 219 100 GLN CG C 33.359 0.3 1 1065 219 100 GLN N N 119.541 0.3 1 1066 219 100 GLN NE2 N 110.686 0.3 1 1067 220 101 LYS H H 7.902 0.020 1 1068 220 101 LYS HA H 3.881 0.020 1 1069 220 101 LYS HB2 H 1.709 0.020 1 1070 220 101 LYS HB3 H 1.709 0.020 1 1071 220 101 LYS HD2 H 1.479 0.020 1 1072 220 101 LYS HD3 H 1.479 0.020 1 1073 220 101 LYS HE2 H 2.808 0.020 1 1074 220 101 LYS HE3 H 2.808 0.020 1 1075 220 101 LYS HG2 H 1.434 0.020 2 1076 220 101 LYS HG3 H 1.273 0.020 2 1077 220 101 LYS CA C 58.804 0.3 1 1078 220 101 LYS CB C 31.975 0.3 1 1079 220 101 LYS CD C 28.973 0.3 1 1080 220 101 LYS CE C 41.781 0.3 1 1081 220 101 LYS CG C 24.521 0.3 1 1082 220 101 LYS N N 119.003 0.3 1 1083 221 102 GLU H H 8.179 0.020 1 1084 221 102 GLU HA H 3.966 0.020 1 1085 221 102 GLU HB2 H 2.071 0.020 2 1086 221 102 GLU HB3 H 1.503 0.020 2 1087 221 102 GLU HG2 H 2.047 0.020 2 1088 221 102 GLU HG3 H 2.310 0.020 2 1089 221 102 GLU CA C 57.148 0.3 1 1090 221 102 GLU CB C 29.173 0.3 1 1091 221 102 GLU CG C 35.582 0.3 1 1092 221 102 GLU N N 117.365 0.3 1 1093 222 103 SER H H 8.149 0.020 1 1094 222 103 SER HA H 3.890 0.020 1 1095 222 103 SER HB2 H 3.473 0.020 2 1096 222 103 SER HB3 H 3.240 0.020 2 1097 222 103 SER CA C 60.447 0.3 1 1098 222 103 SER CB C 62.274 0.3 1 1099 222 103 SER N N 114.743 0.3 1 1100 223 104 GLN H H 7.526 0.020 1 1101 223 104 GLN HA H 4.018 0.020 1 1102 223 104 GLN HB2 H 1.996 0.020 1 1103 223 104 GLN HB3 H 1.996 0.020 1 1104 223 104 GLN HE21 H 7.457 0.020 1 1105 223 104 GLN HE22 H 6.717 0.020 1 1106 223 104 GLN HG2 H 2.353 0.020 2 1107 223 104 GLN HG3 H 2.279 0.020 2 1108 223 104 GLN CA C 57.207 0.3 1 1109 223 104 GLN CB C 27.770 0.3 1 1110 223 104 GLN CG C 33.345 0.3 1 1111 223 104 GLN N N 120.523 0.3 1 1112 223 104 GLN NE2 N 112.250 0.3 1 1113 224 105 ALA H H 7.531 0.020 1 1114 224 105 ALA HA H 4.095 0.020 1 1115 224 105 ALA HB H 1.274 0.020 1 1116 224 105 ALA CA C 53.254 0.3 1 1117 224 105 ALA CB C 18.160 0.3 1 1118 224 105 ALA N N 121.014 0.3 1 1119 225 106 TYR H H 7.816 0.020 1 1120 225 106 TYR HA H 4.231 0.020 1 1121 225 106 TYR HB2 H 2.844 0.020 2 1122 225 106 TYR HB3 H 2.728 0.020 2 1123 225 106 TYR HD1 H 6.713 0.020 1 1124 225 106 TYR HD2 H 6.713 0.020 1 1125 225 106 TYR HE1 H 6.637 0.020 1 1126 225 106 TYR HE2 H 6.637 0.020 1 1127 225 106 TYR CA C 58.850 0.3 1 1128 225 106 TYR CB C 38.351 0.3 1 1129 225 106 TYR CD1 C 132.859 0.3 1 1130 225 106 TYR CE1 C 117.587 0.3 1 1131 225 106 TYR N N 118.457 0.3 1 1132 226 107 TYR H H 7.936 0.020 1 1133 226 107 TYR HA H 4.244 0.020 1 1134 226 107 TYR HB2 H 2.987 0.020 2 1135 226 107 TYR HB3 H 2.849 0.020 2 1136 226 107 TYR HD1 H 7.083 0.020 1 1137 226 107 TYR HD2 H 7.083 0.020 1 1138 226 107 TYR HE1 H 6.751 0.020 1 1139 226 107 TYR HE2 H 6.751 0.020 1 1140 226 107 TYR CA C 58.668 0.3 1 1141 226 107 TYR CB C 37.887 0.3 1 1142 226 107 TYR CD1 C 133.117 0.3 1 1143 226 107 TYR CE1 C 117.817 0.3 1 1144 226 107 TYR N N 119.873 0.3 1 1145 227 108 ASP H H 8.059 0.020 1 1146 227 108 ASP HA H 4.432 0.020 1 1147 227 108 ASP HB2 H 2.652 0.020 1 1148 227 108 ASP HB3 H 2.652 0.020 1 1149 227 108 ASP CA C 54.057 0.3 1 1150 227 108 ASP CB C 39.825 0.3 1 1151 227 108 ASP N N 120.856 0.3 1 1152 228 109 GLY H H 7.773 0.020 1 1153 228 109 GLY HA2 H 3.804 0.020 1 1154 228 109 GLY HA3 H 3.804 0.020 1 1155 228 109 GLY CA C 45.238 0.3 1 1156 228 109 GLY N N 108.050 0.3 1 1157 229 110 ARG H H 7.811 0.020 1 1158 229 110 ARG HA H 4.213 0.020 1 1159 229 110 ARG HB2 H 1.637 0.020 2 1160 229 110 ARG HB3 H 1.741 0.020 2 1161 229 110 ARG HD2 H 2.980 0.020 1 1162 229 110 ARG HD3 H 2.980 0.020 1 1163 229 110 ARG HE H 7.104 0.020 1 1164 229 110 ARG HG2 H 1.466 0.020 1 1165 229 110 ARG HG3 H 1.466 0.020 1 1166 229 110 ARG CA C 55.669 0.3 1 1167 229 110 ARG CB C 30.135 0.3 1 1168 229 110 ARG CG C 26.493 0.3 1 1169 229 110 ARG N N 119.873 0.3 1 1170 229 110 ARG NE N 84.598 0.3 1 1171 230 111 ARG H H 8.187 0.020 1 1172 230 111 ARG HA H 4.297 0.020 1 1173 230 111 ARG HB2 H 1.665 0.020 2 1174 230 111 ARG HB3 H 1.787 0.020 2 1175 230 111 ARG HD2 H 3.064 0.020 2 1176 230 111 ARG HD3 H 2.997 0.020 2 1177 230 111 ARG HG2 H 1.534 0.020 2 1178 230 111 ARG HG3 H 1.500 0.020 2 1179 230 111 ARG CA C 55.507 0.3 1 1180 230 111 ARG CB C 30.535 0.3 1 1181 230 111 ARG CD C 42.886 0.3 1 1182 230 111 ARG CG C 26.557 0.3 1 1183 230 111 ARG N N 121.914 0.3 1 1184 231 112 SER H H 8.311 0.020 1 1185 231 112 SER HA H 4.404 0.020 1 1186 231 112 SER HB2 H 3.813 0.020 2 1187 231 112 SER HB3 H 3.772 0.020 2 1188 231 112 SER CA C 57.846 0.3 1 1189 231 112 SER CB C 63.594 0.3 1 1190 231 112 SER N N 117.409 0.3 1 1191 232 113 SER H H 7.916 0.020 1 1192 232 113 SER HA H 4.189 0.020 1 1193 232 113 SER HB2 H 3.769 0.020 1 1194 232 113 SER HB3 H 3.769 0.020 1 1195 232 113 SER CA C 59.492 0.3 1 1196 232 113 SER CB C 64.334 0.3 1 1197 232 113 SER N N 122.529 0.3 1 stop_ save_