data_16722 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; mPrP_D167S ; _BMRB_accession_number 16722 _BMRB_flat_file_name bmr16722.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 mutant D167S' 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" 690 "13C chemical shifts" 367 "15N chemical shifts" 134 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 'Horse prion protein' 16723 '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 QVYYRPVSQYSNQNNFVHDC 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 ASN 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 2015-10-07 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15845 Prion_Protein 100.00 114 98.23 99.12 1.28e-76 BMRB 16071 mPrP90 99.12 144 98.21 99.11 1.56e-76 BMRB 16075 mPrP90_M129V 99.12 141 97.32 99.11 7.26e-76 BMRB 16076 mPrP90_P102L 99.12 141 98.21 99.11 1.35e-76 BMRB 16077 mPrP90_P105L 99.12 141 98.21 99.11 1.35e-76 BMRB 16078 mPrP90_A117V 99.12 142 98.21 99.11 2.28e-76 BMRB 16079 mPrP90_3AV 99.12 142 98.21 99.11 4.07e-76 BMRB 16080 mPrP90_2II 99.12 142 98.21 99.11 2.09e-76 BMRB 16184 mpp_121-231 100.00 114 97.35 97.35 1.55e-75 BMRB 16185 mpp_121-231 100.00 114 98.23 98.23 8.71e-77 BMRB 16723 "mouse prion protein double mutant D167S, N173K" 100.00 113 99.12 99.12 3.26e-77 BMRB 17081 "Prion with Y169G mutation" 100.00 114 98.23 98.23 6.63e-76 BMRB 17082 mPrP121-231_F175A 100.00 114 98.23 98.23 3.88e-76 BMRB 17084 prion 100.00 114 99.12 99.12 3.22e-77 BMRB 17174 Mouse_prion 100.00 114 99.12 99.12 3.22e-77 BMRB 17213 entity 100.00 114 98.23 98.23 2.83e-76 BMRB 17758 mPrP(121-232) 100.00 114 99.12 99.12 3.22e-77 BMRB 17759 mPrP(121-232) 100.00 114 97.35 97.35 1.71e-74 PDB 1AG2 "Prion Protein Domain Prp(121-231) From Mouse, Nmr, 2 Minimized Average Structure" 90.27 103 99.02 99.02 4.69e-69 PDB 1XYX "Mouse Prion Protein Fragment 121-231" 99.12 112 99.11 99.11 1.35e-76 PDB 1Y15 "Mouse Prion Protein With Mutation N174t" 99.12 112 98.21 98.21 8.92e-76 PDB 1Y16 "Mouse Prion Protein With Mutations S170n And N174t" 99.12 112 97.32 98.21 3.94e-75 PDB 2K5O "Mouse Prion Protein (121-231) With Mutation S170n" 100.00 114 98.23 99.12 1.28e-76 PDB 2KFM "Mouse Prion Protein (121-231) With Mutations Y225a And Y226a" 100.00 114 97.35 97.35 1.55e-75 PDB 2KFO "Mouse Prion Protein (121-231) With Mutation V166a" 100.00 114 98.23 98.23 8.71e-77 PDB 2KU5 "Mouse Prion Protein (121-231) With Mutation D167s" 100.00 113 100.00 100.00 3.92e-78 PDB 2KU6 "Mouse Prion Protein (121-231) With Mutations D167s And N173k" 100.00 113 99.12 99.12 3.26e-77 PDB 2L1D "Mouse Prion Protein (121-231) Containing The Substitution Y169g" 100.00 114 98.23 98.23 6.63e-76 PDB 2L1E "Mouse Prion Protein (121-231) Containing The Substitution F175a" 100.00 114 98.23 98.23 3.88e-76 PDB 2L1H "Mouse Prion Protein Fragment 121-231 At 20 C" 100.00 114 99.12 99.12 3.22e-77 PDB 2L39 "Mouse Prion Protein Fragment 121-231 At 37 C" 100.00 114 99.12 99.12 3.22e-77 PDB 2L40 "Mouse Prion Protein (121-231) Containing The Substitution Y169a" 100.00 114 98.23 98.23 2.83e-76 PDB 4H88 "Structure Of Pom1 Fab Fragment Complexed With Mouse Prpc Fragment 120- 230" 98.23 111 98.20 98.20 3.24e-75 PDB 4MA7 "Crystal Structure Of Mouse Prion Protein Complexed With Promazine" 98.23 114 98.20 99.10 9.72e-76 PDB 4MA8 "Crystal Structure Of Mouse Prion Protein Complexed With Chlorpromazine" 98.23 114 98.20 99.10 9.72e-76 DBJ BAA08790 "prion protein [Rattus norvegicus]" 100.00 254 97.35 99.12 1.08e-75 DBJ BAE28320 "unnamed protein product [Mus musculus]" 100.00 254 97.35 99.12 8.60e-76 DBJ BAE28693 "unnamed protein product [Mus musculus]" 100.00 254 97.35 98.23 2.87e-75 DBJ BAE29994 "unnamed protein product [Mus musculus]" 100.00 254 97.35 98.23 2.66e-75 DBJ BAE34221 "unnamed protein product [Mus musculus]" 100.00 254 98.23 99.12 5.75e-76 EMBL CAJ18553 "Prnp [Mus musculus]" 100.00 254 98.23 99.12 4.63e-76 GB AAA39996 "prion protein [Mus musculus]" 100.00 254 97.35 99.12 2.52e-75 GB AAA39997 "prion protein [Mus musculus]" 100.00 254 98.23 99.12 4.63e-76 GB AAA39998 "prion protein [Mus musculus]" 100.00 254 97.35 98.23 2.49e-75 GB AAA41947 "prion-related protein, partial [Rattus norvegicus]" 100.00 226 97.35 99.12 2.91e-76 GB AAB30728 "prion protein [Rattus norvegicus]" 100.00 254 97.35 99.12 1.08e-75 REF NP_001265185 "major prion protein precursor [Mus musculus]" 100.00 254 98.23 99.12 4.63e-76 REF NP_035300 "major prion protein precursor [Mus musculus]" 100.00 254 98.23 99.12 4.63e-76 REF NP_036763 "major prion protein precursor [Rattus norvegicus]" 100.00 254 97.35 99.12 1.08e-75 REF XP_006235124 "PREDICTED: major prion protein isoform X1 [Rattus norvegicus]" 100.00 254 97.35 99.12 1.08e-75 SP P04925 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 100.00 254 98.23 99.12 4.63e-76 SP P13852 "RecName: Full=Major prion protein; Short=PrP; AltName: CD_antigen=CD230; Flags: Precursor" 100.00 254 97.35 99.12 1.08e-75 SP Q9Z0T3 "RecName: Full=Major prion protein; Short=PrP; AltName: CD_antigen=CD230; Flags: Precursor" 100.00 254 97.35 99.12 1.53e-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 8.559 0.020 1 2 120 1 SER HA H 4.507 0.020 1 3 120 1 SER HB2 H 3.750 0.020 1 4 120 1 SER HB3 H 3.750 0.020 1 5 120 1 SER CA C 57.620 0.3 1 6 120 1 SER CB C 63.464 0.3 1 7 120 1 SER N N 115.580 0.3 1 8 121 2 VAL H H 8.287 0.020 1 9 121 2 VAL HA H 4.098 0.020 1 10 121 2 VAL HB H 1.961 0.020 1 11 121 2 VAL HG1 H 0.826 0.020 2 12 121 2 VAL HG2 H 0.791 0.020 2 13 121 2 VAL CA C 61.723 0.3 1 14 121 2 VAL CB C 32.424 0.3 1 15 121 2 VAL CG1 C 20.209 0.3 1 16 121 2 VAL CG2 C 20.884 0.3 1 17 121 2 VAL N N 122.056 0.3 1 18 122 3 VAL H H 8.224 0.020 1 19 122 3 VAL HA H 4.012 0.020 1 20 122 3 VAL HB H 1.945 0.020 1 21 122 3 VAL HG1 H 0.842 0.020 2 22 122 3 VAL HG2 H 0.821 0.020 2 23 122 3 VAL CA C 61.846 0.3 1 24 122 3 VAL CB C 32.332 0.3 1 25 122 3 VAL CG1 C 20.420 0.3 1 26 122 3 VAL CG2 C 20.878 0.3 1 27 122 3 VAL N N 124.712 0.3 1 28 123 4 GLY H H 8.474 0.020 1 29 123 4 GLY HA2 H 3.867 0.020 1 30 123 4 GLY HA3 H 3.867 0.020 1 31 123 4 GLY CA C 44.805 0.3 1 32 123 4 GLY N N 113.194 0.3 1 33 124 5 GLY H H 8.201 0.020 1 34 124 5 GLY HA2 H 3.873 0.020 1 35 124 5 GLY HA3 H 3.873 0.020 1 36 124 5 GLY CA C 44.874 0.3 1 37 124 5 GLY N N 108.438 0.3 1 38 125 6 LEU H H 8.158 0.020 1 39 125 6 LEU HA H 4.274 0.020 1 40 125 6 LEU HB2 H 1.462 0.020 2 41 125 6 LEU HB3 H 1.534 0.020 2 42 125 6 LEU HD1 H 0.625 0.020 2 43 125 6 LEU HD2 H 0.520 0.020 2 44 125 6 LEU HG H 1.428 0.020 1 45 125 6 LEU CA C 54.489 0.3 1 46 125 6 LEU CB C 41.990 0.3 1 47 125 6 LEU CD1 C 24.414 0.3 1 48 125 6 LEU CD2 C 23.203 0.3 1 49 125 6 LEU CG C 26.604 0.3 1 50 125 6 LEU N N 121.537 0.3 1 51 126 7 GLY H H 8.451 0.020 1 52 126 7 GLY HA2 H 3.823 0.020 1 53 126 7 GLY CA C 45.777 0.3 1 54 126 7 GLY N N 109.628 0.3 1 55 127 8 GLY H H 8.264 0.020 1 56 127 8 GLY HA2 H 3.830 0.020 1 57 127 8 GLY CA C 44.672 0.3 1 58 127 8 GLY N N 108.906 0.3 1 59 128 9 TYR H H 7.659 0.020 1 60 128 9 TYR HA H 4.368 0.020 1 61 128 9 TYR HB2 H 2.832 0.020 2 62 128 9 TYR HB3 H 2.766 0.020 2 63 128 9 TYR HD1 H 6.770 0.020 1 64 128 9 TYR HD2 H 6.770 0.020 1 65 128 9 TYR HE1 H 6.552 0.020 1 66 128 9 TYR HE2 H 6.552 0.020 1 67 128 9 TYR CA C 57.602 0.3 1 68 128 9 TYR CB C 39.712 0.3 1 69 128 9 TYR CD1 C 132.848 0.3 1 70 128 9 TYR CE1 C 118.260 0.3 1 71 128 9 TYR N N 117.655 0.3 1 72 129 10 MET H H 8.966 0.020 1 73 129 10 MET HA H 4.418 0.020 1 74 129 10 MET HB2 H 0.931 0.020 2 75 129 10 MET HB3 H 1.499 0.020 2 76 129 10 MET HE H 1.895 0.020 1 77 129 10 MET HG2 H 2.152 0.020 2 78 129 10 MET HG3 H 2.120 0.020 2 79 129 10 MET CA C 53.337 0.3 1 80 129 10 MET CB C 34.235 0.3 1 81 129 10 MET CE C 17.025 0.3 1 82 129 10 MET CG C 31.581 0.3 1 83 129 10 MET N N 121.068 0.3 1 84 130 11 LEU H H 8.002 0.020 1 85 130 11 LEU HA H 4.362 0.020 1 86 130 11 LEU HB2 H 0.879 0.020 2 87 130 11 LEU HB3 H 1.509 0.020 2 88 130 11 LEU HD1 H -0.087 0.020 2 89 130 11 LEU HD2 H 0.543 0.020 2 90 130 11 LEU HG H 1.293 0.020 1 91 130 11 LEU CA C 52.945 0.3 1 92 130 11 LEU CB C 43.028 0.3 1 93 130 11 LEU CD1 C 21.452 0.3 1 94 130 11 LEU CD2 C 25.462 0.3 1 95 130 11 LEU CG C 25.702 0.3 1 96 130 11 LEU N N 121.194 0.3 1 97 131 12 GLY H H 9.240 0.020 1 98 131 12 GLY HA2 H 4.342 0.020 1 99 131 12 GLY CA C 44.552 0.3 1 100 131 12 GLY N N 114.821 0.3 1 101 132 13 SER H H 8.213 0.020 1 102 132 13 SER HA H 4.319 0.020 1 103 132 13 SER HB2 H 3.818 0.020 2 104 132 13 SER HB3 H 3.889 0.020 2 105 132 13 SER CA C 58.042 0.3 1 106 132 13 SER CB C 63.411 0.3 1 107 132 13 SER N N 113.544 0.3 1 108 133 14 ALA H H 8.640 0.020 1 109 133 14 ALA HA H 4.328 0.020 1 110 133 14 ALA HB H 1.182 0.020 1 111 133 14 ALA CA C 52.443 0.3 1 112 133 14 ALA CB C 18.294 0.3 1 113 133 14 ALA N N 125.307 0.3 1 114 134 15 MET H H 8.700 0.020 1 115 134 15 MET HA H 4.647 0.020 1 116 134 15 MET HB2 H 1.966 0.020 2 117 134 15 MET HB3 H 1.895 0.020 2 118 134 15 MET HE H 2.106 0.020 1 119 134 15 MET HG2 H 2.460 0.020 2 120 134 15 MET HG3 H 2.363 0.020 2 121 134 15 MET CA C 53.474 0.3 1 122 134 15 MET CB C 36.396 0.3 1 123 134 15 MET CE C 17.769 0.3 1 124 134 15 MET CG C 31.276 0.3 1 125 134 15 MET N N 121.327 0.3 1 126 135 16 SER H H 8.330 0.020 1 127 135 16 SER HA H 4.250 0.020 1 128 135 16 SER HB2 H 3.750 0.020 2 129 135 16 SER HB3 H 3.663 0.020 2 130 135 16 SER CA C 58.251 0.3 1 131 135 16 SER CB C 62.447 0.3 1 132 135 16 SER N N 115.889 0.3 1 133 136 17 ARG H H 8.573 0.020 1 134 136 17 ARG HA H 4.289 0.020 1 135 136 17 ARG HB2 H 1.765 0.020 2 136 136 17 ARG HB3 H 1.690 0.020 2 137 136 17 ARG HD2 H 2.974 0.020 2 138 136 17 ARG HD3 H 2.865 0.020 2 139 136 17 ARG HE H 6.807 0.020 1 140 136 17 ARG HG2 H 1.528 0.020 2 141 136 17 ARG HG3 H 1.597 0.020 2 142 136 17 ARG CA C 54.378 0.3 1 143 136 17 ARG CB C 28.519 0.3 1 144 136 17 ARG CD C 43.412 0.3 1 145 136 17 ARG CG C 29.130 0.3 1 146 136 17 ARG N N 126.171 0.3 1 147 136 17 ARG NE N 88.388 0.3 1 148 137 18 PRO HA H 4.333 0.020 1 149 137 18 PRO HB2 H 1.673 0.020 2 150 137 18 PRO HB3 H 2.143 0.020 2 151 137 18 PRO HD2 H 3.567 0.020 2 152 137 18 PRO HD3 H 3.828 0.020 2 153 137 18 PRO HG2 H 1.932 0.020 1 154 137 18 PRO HG3 H 1.932 0.020 1 155 137 18 PRO CA C 61.639 0.3 1 156 137 18 PRO CB C 31.936 0.3 1 157 137 18 PRO CD C 50.112 0.3 1 158 137 18 PRO CG C 27.014 0.3 1 159 138 19 MET H H 8.650 0.020 1 160 138 19 MET HA H 4.774 0.020 1 161 138 19 MET HB2 H 1.915 0.020 1 162 138 19 MET HB3 H 1.915 0.020 1 163 138 19 MET HE H 2.034 0.020 1 164 138 19 MET HG2 H 2.594 0.020 2 165 138 19 MET HG3 H 2.238 0.020 2 166 138 19 MET CA C 53.550 0.3 1 167 138 19 MET CB C 29.967 0.3 1 168 138 19 MET CE C 16.332 0.3 1 169 138 19 MET CG C 31.578 0.3 1 170 138 19 MET N N 121.958 0.3 1 171 139 20 ILE H H 6.479 0.020 1 172 139 20 ILE HA H 3.726 0.020 1 173 139 20 ILE HB H 0.692 0.020 1 174 139 20 ILE HD1 H 0.339 0.020 1 175 139 20 ILE HG12 H 0.805 0.020 2 176 139 20 ILE HG13 H 0.630 0.020 2 177 139 20 ILE HG2 H -0.219 0.020 1 178 139 20 ILE CA C 59.070 0.3 1 179 139 20 ILE CB C 38.669 0.3 1 180 139 20 ILE CD1 C 12.409 0.3 1 181 139 20 ILE CG1 C 26.364 0.3 1 182 139 20 ILE CG2 C 16.985 0.3 1 183 139 20 ILE N N 124.404 0.3 1 184 140 21 HIS H H 8.117 0.020 1 185 140 21 HIS HA H 4.813 0.020 1 186 140 21 HIS HB2 H 3.200 0.020 2 187 140 21 HIS HB3 H 2.859 0.020 2 188 140 21 HIS HD2 H 7.133 0.020 1 189 140 21 HIS HE1 H 8.491 0.020 1 190 140 21 HIS CA C 53.550 0.3 1 191 140 21 HIS CB C 29.158 0.3 1 192 140 21 HIS CD2 C 119.819 0.3 1 193 140 21 HIS CE1 C 136.330 0.3 1 194 140 21 HIS N N 121.753 0.3 1 195 141 22 PHE H H 10.359 0.020 1 196 141 22 PHE HA H 4.166 0.020 1 197 141 22 PHE HB2 H 2.691 0.020 2 198 141 22 PHE HB3 H 3.180 0.020 2 199 141 22 PHE HD1 H 7.203 0.020 1 200 141 22 PHE HD2 H 7.203 0.020 1 201 141 22 PHE HE1 H 6.804 0.020 1 202 141 22 PHE HE2 H 6.804 0.020 1 203 141 22 PHE HZ H 6.652 0.020 1 204 141 22 PHE CA C 59.188 0.3 1 205 141 22 PHE CB C 40.398 0.3 1 206 141 22 PHE CD1 C 131.950 0.3 1 207 141 22 PHE CE1 C 130.969 0.3 1 208 141 22 PHE CZ C 129.012 0.3 1 209 141 22 PHE N N 124.487 0.3 1 210 142 23 GLY H H 8.923 0.020 1 211 142 23 GLY HA2 H 4.025 0.020 1 212 142 23 GLY CA C 45.266 0.3 1 213 142 23 GLY N N 108.927 0.3 1 214 143 24 ASN H H 7.106 0.020 1 215 143 24 ASN HA H 4.780 0.020 1 216 143 24 ASN HB2 H 2.616 0.020 1 217 143 24 ASN HB3 H 2.616 0.020 1 218 143 24 ASN HD21 H 7.513 0.020 1 219 143 24 ASN HD22 H 7.237 0.020 1 220 143 24 ASN CA C 52.100 0.3 1 221 143 24 ASN CB C 41.077 0.3 1 222 143 24 ASN N N 114.438 0.3 1 223 143 24 ASN ND2 N 115.190 0.3 1 224 144 25 ASP H H 8.946 0.020 1 225 144 25 ASP HA H 4.353 0.020 1 226 144 25 ASP HB2 H 2.682 0.020 1 227 144 25 ASP HB3 H 2.682 0.020 1 228 144 25 ASP CA C 57.381 0.3 1 229 144 25 ASP CB C 40.462 0.3 1 230 144 25 ASP N N 123.446 0.3 1 231 145 26 TRP H H 8.418 0.020 1 232 145 26 TRP HA H 4.141 0.020 1 233 145 26 TRP HB2 H 3.316 0.020 1 234 145 26 TRP HB3 H 3.316 0.020 1 235 145 26 TRP HD1 H 7.249 0.020 1 236 145 26 TRP HE1 H 10.127 0.020 1 237 145 26 TRP HE3 H 7.251 0.020 1 238 145 26 TRP HH2 H 6.788 0.020 1 239 145 26 TRP HZ2 H 7.326 0.020 1 240 145 26 TRP HZ3 H 6.619 0.020 1 241 145 26 TRP CA C 61.143 0.3 1 242 145 26 TRP CB C 28.016 0.3 1 243 145 26 TRP CD1 C 127.534 0.3 1 244 145 26 TRP CE3 C 120.486 0.3 1 245 145 26 TRP CH2 C 124.799 0.3 1 246 145 26 TRP CZ2 C 114.497 0.3 1 247 145 26 TRP CZ3 C 120.861 0.3 1 248 145 26 TRP N N 120.320 0.3 1 249 145 26 TRP NE1 N 129.327 0.3 1 250 146 27 GLU H H 8.100 0.020 1 251 146 27 GLU HA H 3.345 0.020 1 252 146 27 GLU HB2 H 1.725 0.020 2 253 146 27 GLU HB3 H 1.176 0.020 2 254 146 27 GLU HG2 H 2.026 0.020 2 255 146 27 GLU HG3 H 1.499 0.020 2 256 146 27 GLU CA C 59.304 0.3 1 257 146 27 GLU CB C 29.035 0.3 1 258 146 27 GLU CG C 36.320 0.3 1 259 146 27 GLU N N 120.073 0.3 1 260 147 28 ASP H H 7.929 0.020 1 261 147 28 ASP HA H 4.585 0.020 1 262 147 28 ASP HB2 H 2.735 0.020 2 263 147 28 ASP HB3 H 2.835 0.020 2 264 147 28 ASP CA C 58.042 0.3 1 265 147 28 ASP CB C 40.216 0.3 1 266 147 28 ASP N N 118.876 0.3 1 267 148 29 ARG H H 7.947 0.020 1 268 148 29 ARG HA H 3.886 0.020 1 269 148 29 ARG HB2 H 1.772 0.020 1 270 148 29 ARG HB3 H 1.772 0.020 1 271 148 29 ARG HD2 H 3.123 0.020 2 272 148 29 ARG HD3 H 3.088 0.020 2 273 148 29 ARG HE H 7.340 0.020 1 274 148 29 ARG HG2 H 1.637 0.020 2 275 148 29 ARG HG3 H 1.402 0.020 2 276 148 29 ARG CA C 59.194 0.3 1 277 148 29 ARG CB C 29.563 0.3 1 278 148 29 ARG CD C 43.085 0.3 1 279 148 29 ARG CG C 27.439 0.3 1 280 148 29 ARG N N 119.798 0.3 1 281 148 29 ARG NE N 87.985 0.3 1 282 149 30 TYR H H 8.179 0.020 1 283 149 30 TYR HA H 3.640 0.020 1 284 149 30 TYR HB2 H 2.582 0.020 2 285 149 30 TYR HB3 H 2.227 0.020 2 286 149 30 TYR HD1 H 6.781 0.020 1 287 149 30 TYR HD2 H 6.781 0.020 1 288 149 30 TYR HE1 H 6.794 0.020 1 289 149 30 TYR HE2 H 6.794 0.020 1 290 149 30 TYR CA C 61.563 0.3 1 291 149 30 TYR CB C 37.884 0.3 1 292 149 30 TYR CD1 C 133.486 0.3 1 293 149 30 TYR CE1 C 117.907 0.3 1 294 149 30 TYR N N 120.749 0.3 1 295 150 31 TYR H H 8.894 0.020 1 296 150 31 TYR HA H 3.989 0.020 1 297 150 31 TYR HB2 H 3.450 0.020 2 298 150 31 TYR HB3 H 3.116 0.020 2 299 150 31 TYR HD1 H 7.373 0.020 1 300 150 31 TYR HD2 H 7.373 0.020 1 301 150 31 TYR HE1 H 6.921 0.020 1 302 150 31 TYR HE2 H 6.921 0.020 1 303 150 31 TYR CA C 62.483 0.3 1 304 150 31 TYR CB C 38.087 0.3 1 305 150 31 TYR CD1 C 133.422 0.3 1 306 150 31 TYR CE1 C 118.308 0.3 1 307 150 31 TYR N N 120.194 0.3 1 308 151 32 ARG H H 7.811 0.020 1 309 151 32 ARG HA H 3.761 0.020 1 310 151 32 ARG HB2 H 1.859 0.020 2 311 151 32 ARG HB3 H 1.930 0.020 2 312 151 32 ARG HD2 H 3.258 0.020 2 313 151 32 ARG HD3 H 3.187 0.020 2 314 151 32 ARG HE H 7.369 0.020 1 315 151 32 ARG HG2 H 1.893 0.020 2 316 151 32 ARG HG3 H 1.657 0.020 2 317 151 32 ARG CA C 59.501 0.3 1 318 151 32 ARG CB C 29.525 0.3 1 319 151 32 ARG CD C 43.078 0.3 1 320 151 32 ARG CG C 28.113 0.3 1 321 151 32 ARG N N 116.976 0.3 1 322 151 32 ARG NE N 87.682 0.3 1 323 152 33 GLU H H 7.750 0.020 1 324 152 33 GLU HA H 4.018 0.020 1 325 152 33 GLU HB2 H 1.800 0.020 1 326 152 33 GLU HB3 H 1.800 0.020 1 327 152 33 GLU HG2 H 2.373 0.020 2 328 152 33 GLU HG3 H 2.188 0.020 2 329 152 33 GLU CA C 57.174 0.3 1 330 152 33 GLU CB C 29.295 0.3 1 331 152 33 GLU CG C 35.025 0.3 1 332 152 33 GLU N N 115.055 0.3 1 333 153 34 ASN H H 7.450 0.020 1 334 153 34 ASN HA H 4.419 0.020 1 335 153 34 ASN HB2 H 2.145 0.020 2 336 153 34 ASN HB3 H 2.039 0.020 2 337 153 34 ASN HD21 H 6.612 0.020 1 338 153 34 ASN HD22 H 6.412 0.020 1 339 153 34 ASN CA C 54.360 0.3 1 340 153 34 ASN CB C 40.737 0.3 1 341 153 34 ASN N N 115.124 0.3 1 342 153 34 ASN ND2 N 116.391 0.3 1 343 154 35 MET H H 7.721 0.020 1 344 154 35 MET HA H 3.374 0.020 1 345 154 35 MET HB2 H 1.489 0.020 2 346 154 35 MET HB3 H 1.166 0.020 2 347 154 35 MET HE H 1.823 0.020 1 348 154 35 MET HG2 H 2.169 0.020 2 349 154 35 MET HG3 H 1.687 0.020 2 350 154 35 MET CA C 58.729 0.3 1 351 154 35 MET CB C 30.420 0.3 1 352 154 35 MET CE C 17.199 0.3 1 353 154 35 MET CG C 29.832 0.3 1 354 154 35 MET N N 118.135 0.3 1 355 155 36 TYR H H 7.503 0.020 1 356 155 36 TYR HA H 4.048 0.020 1 357 155 36 TYR HB2 H 2.839 0.020 2 358 155 36 TYR HB3 H 2.922 0.020 2 359 155 36 TYR HD1 H 6.981 0.020 1 360 155 36 TYR HD2 H 6.981 0.020 1 361 155 36 TYR HE1 H 6.792 0.020 1 362 155 36 TYR HE2 H 6.792 0.020 1 363 155 36 TYR CA C 58.919 0.3 1 364 155 36 TYR CB C 35.922 0.3 1 365 155 36 TYR CD1 C 133.157 0.3 1 366 155 36 TYR CE1 C 118.481 0.3 1 367 155 36 TYR N N 116.002 0.3 1 368 156 37 ARG H H 7.436 0.020 1 369 156 37 ARG HA H 3.937 0.020 1 370 156 37 ARG HB2 H 1.231 0.020 2 371 156 37 ARG HB3 H 1.846 0.020 2 372 156 37 ARG HD2 H 3.100 0.020 2 373 156 37 ARG HD3 H 2.984 0.020 2 374 156 37 ARG HE H 7.126 0.020 1 375 156 37 ARG HG2 H 1.164 0.020 2 376 156 37 ARG HG3 H 0.586 0.020 2 377 156 37 ARG HH21 H 6.412 0.020 1 378 156 37 ARG CA C 55.923 0.3 1 379 156 37 ARG CB C 30.407 0.3 1 380 156 37 ARG CD C 43.910 0.3 1 381 156 37 ARG CG C 27.127 0.3 1 382 156 37 ARG N N 118.231 0.3 1 383 156 37 ARG NE N 87.459 0.3 1 384 157 38 TYR H H 7.224 0.020 1 385 157 38 TYR HA H 4.943 0.020 1 386 157 38 TYR HB2 H 2.992 0.020 2 387 157 38 TYR HB3 H 3.027 0.020 2 388 157 38 TYR HD1 H 6.838 0.020 1 389 157 38 TYR HD2 H 6.838 0.020 1 390 157 38 TYR HE1 H 6.437 0.020 1 391 157 38 TYR HE2 H 6.437 0.020 1 392 157 38 TYR CA C 52.512 0.3 1 393 157 38 TYR CB C 34.958 0.3 1 394 157 38 TYR CD1 C 131.323 0.3 1 395 157 38 TYR CE1 C 117.440 0.3 1 396 157 38 TYR N N 120.149 0.3 1 397 158 39 PRO HA H 4.378 0.020 1 398 158 39 PRO HB2 H 1.656 0.020 2 399 158 39 PRO HB3 H 2.339 0.020 2 400 158 39 PRO HD2 H 3.125 0.020 2 401 158 39 PRO HD3 H 3.385 0.020 2 402 158 39 PRO HG2 H 1.502 0.020 2 403 158 39 PRO HG3 H 1.298 0.020 2 404 158 39 PRO CA C 62.838 0.3 1 405 158 39 PRO CB C 32.155 0.3 1 406 158 39 PRO CD C 49.727 0.3 1 407 158 39 PRO CG C 26.986 0.3 1 408 159 40 ASN H H 8.319 0.020 1 409 159 40 ASN HA H 4.643 0.020 1 410 159 40 ASN HB2 H 3.649 0.020 2 411 159 40 ASN HB3 H 2.295 0.020 2 412 159 40 ASN HD21 H 7.414 0.020 1 413 159 40 ASN HD22 H 6.719 0.020 1 414 159 40 ASN CA C 51.238 0.3 1 415 159 40 ASN CB C 37.807 0.3 1 416 159 40 ASN N N 115.410 0.3 1 417 159 40 ASN ND2 N 108.856 0.3 1 418 160 41 GLN H H 7.133 0.020 1 419 160 41 GLN HA H 4.511 0.020 1 420 160 41 GLN HB2 H 1.879 0.020 2 421 160 41 GLN HB3 H 1.604 0.020 2 422 160 41 GLN HE21 H 7.805 0.020 1 423 160 41 GLN HE22 H 6.913 0.020 1 424 160 41 GLN HG2 H 1.891 0.020 2 425 160 41 GLN HG3 H 1.615 0.020 2 426 160 41 GLN CA C 53.764 0.3 1 427 160 41 GLN CB C 33.527 0.3 1 428 160 41 GLN CG C 33.443 0.3 1 429 160 41 GLN N N 113.673 0.3 1 430 160 41 GLN NE2 N 112.533 0.3 1 431 161 42 VAL H H 8.389 0.020 1 432 161 42 VAL HA H 4.822 0.020 1 433 161 42 VAL HB H 2.499 0.020 1 434 161 42 VAL HG1 H 0.879 0.020 2 435 161 42 VAL HG2 H 0.655 0.020 2 436 161 42 VAL CA C 58.426 0.3 1 437 161 42 VAL CB C 33.728 0.3 1 438 161 42 VAL CG1 C 23.431 0.3 1 439 161 42 VAL CG2 C 17.994 0.3 1 440 161 42 VAL N N 112.828 0.3 1 441 162 43 TYR H H 8.346 0.020 1 442 162 43 TYR HA H 5.467 0.020 1 443 162 43 TYR HB2 H 2.519 0.020 2 444 162 43 TYR HB3 H 2.464 0.020 2 445 162 43 TYR HD1 H 6.821 0.020 1 446 162 43 TYR HD2 H 6.821 0.020 1 447 162 43 TYR HE1 H 6.665 0.020 1 448 162 43 TYR HE2 H 6.665 0.020 1 449 162 43 TYR CA C 56.401 0.3 1 450 162 43 TYR CB C 41.491 0.3 1 451 162 43 TYR CD1 C 132.915 0.3 1 452 162 43 TYR CE1 C 118.364 0.3 1 453 162 43 TYR N N 120.980 0.3 1 454 163 44 TYR H H 8.450 0.020 1 455 163 44 TYR HA H 4.765 0.020 1 456 163 44 TYR HB2 H 2.783 0.020 2 457 163 44 TYR HB3 H 2.612 0.020 2 458 163 44 TYR HD1 H 7.054 0.020 1 459 163 44 TYR HD2 H 7.054 0.020 1 460 163 44 TYR HE1 H 6.409 0.020 1 461 163 44 TYR HE2 H 6.409 0.020 1 462 163 44 TYR CA C 55.535 0.3 1 463 163 44 TYR CB C 39.765 0.3 1 464 163 44 TYR CD1 C 134.062 0.3 1 465 163 44 TYR CE1 C 117.801 0.3 1 466 163 44 TYR N N 110.793 0.3 1 467 164 45 ARG H H 7.889 0.020 1 468 164 45 ARG HA H 4.553 0.020 1 469 164 45 ARG HB2 H 1.788 0.020 2 470 164 45 ARG HB3 H 1.599 0.020 2 471 164 45 ARG HD2 H 2.741 0.020 2 472 164 45 ARG HD3 H 2.789 0.020 2 473 164 45 ARG HE H 6.482 0.020 1 474 164 45 ARG HG2 H 0.904 0.020 2 475 164 45 ARG HG3 H 1.050 0.020 2 476 164 45 ARG CA C 53.192 0.3 1 477 164 45 ARG CB C 29.601 0.3 1 478 164 45 ARG CD C 43.172 0.3 1 479 164 45 ARG CG C 27.644 0.3 1 480 164 45 ARG N N 120.260 0.3 1 481 164 45 ARG NE N 87.442 0.3 1 482 165 46 PRO HA H 4.496 0.020 1 483 165 46 PRO HB2 H 1.756 0.020 2 484 165 46 PRO HB3 H 2.338 0.020 2 485 165 46 PRO HD2 H 3.580 0.020 2 486 165 46 PRO HD3 H 3.369 0.020 2 487 165 46 PRO HG2 H 2.023 0.020 2 488 165 46 PRO HG3 H 1.930 0.020 2 489 165 46 PRO CA C 62.810 0.3 1 490 165 46 PRO CB C 32.178 0.3 1 491 165 46 PRO CD C 49.651 0.3 1 492 165 46 PRO CG C 27.963 0.3 1 493 166 47 VAL H H 8.545 0.020 1 494 166 47 VAL HA H 4.163 0.020 1 495 166 47 VAL HB H 1.936 0.020 1 496 166 47 VAL HG1 H 0.661 0.020 2 497 166 47 VAL HG2 H 0.684 0.020 2 498 166 47 VAL CA C 65.044 0.3 1 499 166 47 VAL CB C 31.834 0.3 1 500 166 47 VAL CG1 C 21.287 0.3 1 501 166 47 VAL CG2 C 21.540 0.3 1 502 166 47 VAL N N 120.128 0.3 1 503 167 48 SER H H 7.846 0.020 1 504 167 48 SER HA H 4.156 0.020 1 505 167 48 SER HB2 H 3.930 0.020 2 506 167 48 SER HB3 H 3.608 0.020 2 507 167 48 SER CA C 58.670 0.3 1 508 167 48 SER CB C 62.204 0.3 1 509 167 48 SER N N 113.588 0.3 1 510 168 49 GLN H H 8.134 0.020 1 511 168 49 GLN HA H 4.046 0.020 1 512 168 49 GLN HB2 H 1.793 0.020 2 513 168 49 GLN HB3 H 1.657 0.020 2 514 168 49 GLN HE21 H 7.284 0.020 1 515 168 49 GLN HE22 H 6.740 0.020 1 516 168 49 GLN HG2 H 2.112 0.020 2 517 168 49 GLN HG3 H 2.049 0.020 2 518 168 49 GLN CA C 55.673 0.3 1 519 168 49 GLN CB C 27.311 0.3 1 520 168 49 GLN CG C 33.896 0.3 1 521 168 49 GLN N N 119.316 0.3 1 522 168 49 GLN NE2 N 111.206 0.3 1 523 169 50 TYR H H 7.826 0.020 1 524 169 50 TYR HA H 4.854 0.020 1 525 169 50 TYR HB2 H 3.230 0.020 2 526 169 50 TYR HB3 H 2.958 0.020 2 527 169 50 TYR HD1 H 7.254 0.020 1 528 169 50 TYR HD2 H 7.254 0.020 1 529 169 50 TYR HE1 H 6.838 0.020 1 530 169 50 TYR HE2 H 6.838 0.020 1 531 169 50 TYR CA C 56.660 0.3 1 532 169 50 TYR CB C 41.574 0.3 1 533 169 50 TYR CD1 C 133.993 0.3 1 534 169 50 TYR CE1 C 118.871 0.3 1 535 169 50 TYR N N 116.838 0.3 1 536 170 51 SER H H 9.044 0.020 1 537 170 51 SER HA H 4.472 0.020 1 538 170 51 SER HB2 H 3.962 0.020 2 539 170 51 SER HB3 H 3.865 0.020 2 540 170 51 SER CA C 58.443 0.3 1 541 170 51 SER CB C 63.413 0.3 1 542 170 51 SER N N 115.051 0.3 1 543 171 52 ASN H H 7.546 0.020 1 544 171 52 ASN HA H 4.707 0.020 1 545 171 52 ASN HB2 H 3.072 0.020 2 546 171 52 ASN HB3 H 2.920 0.020 2 547 171 52 ASN HD21 H 7.414 0.020 1 548 171 52 ASN HD22 H 6.621 0.020 1 549 171 52 ASN CA C 52.274 0.3 1 550 171 52 ASN CB C 39.799 0.3 1 551 171 52 ASN N N 114.554 0.3 1 552 171 52 ASN ND2 N 113.146 0.3 1 553 172 53 GLN H H 8.549 0.020 1 554 172 53 GLN HA H 2.736 0.020 1 555 172 53 GLN HB2 H 1.588 0.020 2 556 172 53 GLN HB3 H 1.495 0.020 2 557 172 53 GLN HE21 H 7.133 0.020 1 558 172 53 GLN HE22 H 6.791 0.020 1 559 172 53 GLN HG2 H 1.062 0.020 2 560 172 53 GLN HG3 H 1.720 0.020 2 561 172 53 GLN CA C 58.379 0.3 1 562 172 53 GLN CB C 29.163 0.3 1 563 172 53 GLN CG C 33.238 0.3 1 564 172 53 GLN N N 119.702 0.3 1 565 172 53 GLN NE2 N 111.499 0.3 1 566 173 54 ASN H H 8.509 0.020 1 567 173 54 ASN HA H 4.129 0.020 1 568 173 54 ASN HB2 H 2.554 0.020 2 569 173 54 ASN HB3 H 2.656 0.020 2 570 173 54 ASN HD21 H 7.505 0.020 1 571 173 54 ASN HD22 H 6.881 0.020 1 572 173 54 ASN CA C 55.987 0.3 1 573 173 54 ASN CB C 37.450 0.3 1 574 173 54 ASN N N 118.197 0.3 1 575 173 54 ASN ND2 N 112.608 0.3 1 576 174 55 ASN H H 8.359 0.020 1 577 174 55 ASN HA H 4.480 0.020 1 578 174 55 ASN HB2 H 2.851 0.020 2 579 174 55 ASN HB3 H 3.125 0.020 2 580 174 55 ASN HD21 H 7.588 0.020 1 581 174 55 ASN HD22 H 7.116 0.020 1 582 174 55 ASN CA C 55.573 0.3 1 583 174 55 ASN CB C 37.897 0.3 1 584 174 55 ASN N N 117.440 0.3 1 585 174 55 ASN ND2 N 111.603 0.3 1 586 175 56 PHE H H 7.140 0.020 1 587 175 56 PHE HA H 2.686 0.020 1 588 175 56 PHE HB2 H 2.421 0.020 2 589 175 56 PHE HB3 H 3.018 0.020 2 590 175 56 PHE HD1 H 7.099 0.020 1 591 175 56 PHE HD2 H 7.099 0.020 1 592 175 56 PHE HE1 H 7.780 0.020 1 593 175 56 PHE HE2 H 7.780 0.020 1 594 175 56 PHE HZ H 6.608 0.020 1 595 175 56 PHE CA C 59.418 0.3 1 596 175 56 PHE CB C 38.477 0.3 1 597 175 56 PHE CD1 C 132.961 0.3 1 598 175 56 PHE CE1 C 132.232 0.3 1 599 175 56 PHE CZ C 129.137 0.3 1 600 175 56 PHE N N 121.485 0.3 1 601 176 57 VAL H H 8.822 0.020 1 602 176 57 VAL HA H 3.320 0.020 1 603 176 57 VAL HB H 2.105 0.020 1 604 176 57 VAL HG1 H 0.924 0.020 2 605 176 57 VAL HG2 H 0.977 0.020 2 606 176 57 VAL CA C 67.015 0.3 1 607 176 57 VAL CB C 31.654 0.3 1 608 176 57 VAL CG1 C 21.365 0.3 1 609 176 57 VAL CG2 C 24.172 0.3 1 610 176 57 VAL N N 120.129 0.3 1 611 177 58 HIS H H 8.334 0.020 1 612 177 58 HIS HA H 4.210 0.020 1 613 177 58 HIS HB2 H 3.255 0.020 2 614 177 58 HIS HB3 H 3.300 0.020 2 615 177 58 HIS HD2 H 7.302 0.020 1 616 177 58 HIS HE1 H 8.546 0.020 1 617 177 58 HIS CA C 58.769 0.3 1 618 177 58 HIS CB C 28.031 0.3 1 619 177 58 HIS CD2 C 120.161 0.3 1 620 177 58 HIS CE1 C 136.380 0.3 1 621 177 58 HIS N N 116.342 0.3 1 622 178 59 ASP H H 7.368 0.020 1 623 178 59 ASP HA H 4.490 0.020 1 624 178 59 ASP HB2 H 2.864 0.020 1 625 178 59 ASP HB3 H 2.864 0.020 1 626 178 59 ASP CA C 56.703 0.3 1 627 178 59 ASP CB C 40.508 0.3 1 628 178 59 ASP N N 118.366 0.3 1 629 179 60 CYS H H 8.074 0.020 1 630 179 60 CYS HA H 4.603 0.020 1 631 179 60 CYS HB2 H 3.121 0.020 2 632 179 60 CYS HB3 H 2.713 0.020 2 633 179 60 CYS CA C 58.370 0.3 1 634 179 60 CYS CB C 40.341 0.3 1 635 179 60 CYS N N 119.374 0.3 1 636 180 61 VAL H H 9.095 0.020 1 637 180 61 VAL HA H 3.551 0.020 1 638 180 61 VAL HB H 2.064 0.020 1 639 180 61 VAL HG1 H 0.875 0.020 2 640 180 61 VAL HG2 H 0.977 0.020 2 641 180 61 VAL CA C 65.526 0.3 1 642 180 61 VAL CB C 31.686 0.3 1 643 180 61 VAL CG1 C 21.358 0.3 1 644 180 61 VAL CG2 C 23.385 0.3 1 645 180 61 VAL N N 124.338 0.3 1 646 181 62 ASN H H 7.549 0.020 1 647 181 62 ASN HA H 4.227 0.020 1 648 181 62 ASN HB2 H 2.791 0.020 2 649 181 62 ASN HB3 H 2.705 0.020 2 650 181 62 ASN HD21 H 7.568 0.020 1 651 181 62 ASN HD22 H 6.695 0.020 1 652 181 62 ASN CA C 56.150 0.3 1 653 181 62 ASN CB C 38.450 0.3 1 654 181 62 ASN N N 116.400 0.3 1 655 181 62 ASN ND2 N 111.691 0.3 1 656 182 63 ILE H H 8.719 0.020 1 657 182 63 ILE HA H 3.630 0.020 1 658 182 63 ILE HB H 1.486 0.020 1 659 182 63 ILE HD1 H 0.341 0.020 1 660 182 63 ILE HG12 H 0.784 0.020 1 661 182 63 ILE HG13 H 0.784 0.020 1 662 182 63 ILE HG2 H 0.141 0.020 1 663 182 63 ILE CA C 61.853 0.3 1 664 182 63 ILE CB C 36.333 0.3 1 665 182 63 ILE CD1 C 11.337 0.3 1 666 182 63 ILE CG1 C 27.305 0.3 1 667 182 63 ILE CG2 C 18.223 0.3 1 668 182 63 ILE N N 118.685 0.3 1 669 183 64 THR H H 8.038 0.020 1 670 183 64 THR HA H 3.958 0.020 1 671 183 64 THR HB H 4.404 0.020 1 672 183 64 THR HG2 H 1.418 0.020 1 673 183 64 THR CA C 68.125 0.3 1 674 183 64 THR CB C 67.675 0.3 1 675 183 64 THR CG2 C 21.993 0.3 1 676 183 64 THR N N 117.874 0.3 1 677 184 65 ILE H H 8.492 0.020 1 678 184 65 ILE HA H 3.643 0.020 1 679 184 65 ILE HB H 2.018 0.020 1 680 184 65 ILE HD1 H 0.693 0.020 1 681 184 65 ILE HG12 H 1.712 0.020 2 682 184 65 ILE HG13 H 1.190 0.020 2 683 184 65 ILE HG2 H 0.806 0.020 1 684 184 65 ILE CA C 64.892 0.3 1 685 184 65 ILE CB C 36.332 0.3 1 686 184 65 ILE CD1 C 12.639 0.3 1 687 184 65 ILE CG1 C 29.262 0.3 1 688 184 65 ILE CG2 C 16.746 0.3 1 689 184 65 ILE N N 120.537 0.3 1 690 185 66 LYS H H 7.961 0.020 1 691 185 66 LYS HA H 3.969 0.020 1 692 185 66 LYS HB2 H 1.785 0.020 2 693 185 66 LYS HB3 H 1.857 0.020 2 694 185 66 LYS HD2 H 1.510 0.020 1 695 185 66 LYS HD3 H 1.510 0.020 1 696 185 66 LYS HE2 H 2.831 0.020 1 697 185 66 LYS HE3 H 2.831 0.020 1 698 185 66 LYS HG2 H 1.299 0.020 2 699 185 66 LYS HG3 H 1.406 0.020 2 700 185 66 LYS CA C 59.416 0.3 1 701 185 66 LYS CB C 31.870 0.3 1 702 185 66 LYS CD C 28.790 0.3 1 703 185 66 LYS CE C 41.568 0.3 1 704 185 66 LYS CG C 24.735 0.3 1 705 185 66 LYS N N 122.349 0.3 1 706 186 67 GLN H H 8.172 0.020 1 707 186 67 GLN HA H 3.941 0.020 1 708 186 67 GLN HB2 H 1.869 0.020 2 709 186 67 GLN HB3 H 1.765 0.020 2 710 186 67 GLN HE21 H 6.645 0.020 1 711 186 67 GLN HE22 H 6.622 0.020 1 712 186 67 GLN HG2 H 1.992 0.020 2 713 186 67 GLN HG3 H 1.407 0.020 2 714 186 67 GLN CA C 56.945 0.3 1 715 186 67 GLN CB C 27.967 0.3 1 716 186 67 GLN CG C 33.126 0.3 1 717 186 67 GLN N N 115.905 0.3 1 718 186 67 GLN NE2 N 109.896 0.3 1 719 187 68 HIS H H 7.926 0.020 1 720 187 68 HIS HA H 4.525 0.020 1 721 187 68 HIS HB2 H 3.294 0.020 2 722 187 68 HIS HB3 H 3.210 0.020 2 723 187 68 HIS HD2 H 7.271 0.020 1 724 187 68 HIS HE1 H 8.232 0.020 1 725 187 68 HIS CA C 57.684 0.3 1 726 187 68 HIS CB C 29.424 0.3 1 727 187 68 HIS CD2 C 119.337 0.3 1 728 187 68 HIS N N 116.968 0.3 1 729 188 69 THR H H 8.053 0.020 1 730 188 69 THR HA H 4.182 0.020 1 731 188 69 THR HB H 4.310 0.020 1 732 188 69 THR HG2 H 1.149 0.020 1 733 188 69 THR CA C 63.823 0.3 1 734 188 69 THR CB C 68.803 0.3 1 735 188 69 THR CG2 C 21.296 0.3 1 736 188 69 THR N N 113.430 0.3 1 737 189 70 VAL H H 7.897 0.020 1 738 189 70 VAL HA H 3.981 0.020 1 739 189 70 VAL HB H 2.115 0.020 1 740 189 70 VAL HG1 H 0.869 0.020 2 741 189 70 VAL HG2 H 0.923 0.020 2 742 189 70 VAL CA C 63.716 0.3 1 743 189 70 VAL CB C 31.899 0.3 1 744 189 70 VAL CG1 C 20.851 0.3 1 745 189 70 VAL CG2 C 20.995 0.3 1 746 189 70 VAL N N 121.516 0.3 1 747 190 71 THR H H 7.971 0.020 1 748 190 71 THR HA H 4.205 0.020 1 749 190 71 THR HB H 4.190 0.020 1 750 190 71 THR HG2 H 1.164 0.020 1 751 190 71 THR CA C 62.754 0.3 1 752 190 71 THR CB C 68.823 0.3 1 753 190 71 THR CG2 C 21.474 0.3 1 754 190 71 THR N N 115.102 0.3 1 755 191 72 THR H H 7.926 0.020 1 756 191 72 THR HA H 4.205 0.020 1 757 191 72 THR HB H 4.125 0.020 1 758 191 72 THR HG2 H 0.995 0.020 1 759 191 72 THR CA C 62.638 0.3 1 760 191 72 THR CB C 68.644 0.3 1 761 191 72 THR CG2 C 21.206 0.3 1 762 191 72 THR N N 114.863 0.3 1 763 192 73 THR H H 8.090 0.020 1 764 192 73 THR HA H 4.313 0.020 1 765 192 73 THR HB H 4.276 0.020 1 766 192 73 THR HG2 H 1.178 0.020 1 767 192 73 THR CA C 62.789 0.3 1 768 192 73 THR CB C 68.759 0.3 1 769 192 73 THR CG2 C 21.335 0.3 1 770 192 73 THR N N 115.772 0.3 1 771 193 74 THR H H 7.921 0.020 1 772 193 74 THR HA H 4.213 0.020 1 773 193 74 THR HB H 4.184 0.020 1 774 193 74 THR HG2 H 1.162 0.020 1 775 193 74 THR CA C 62.685 0.3 1 776 193 74 THR CB C 68.753 0.3 1 777 193 74 THR CG2 C 21.424 0.3 1 778 193 74 THR N N 115.868 0.3 1 779 194 75 LYS H H 7.935 0.020 1 780 194 75 LYS HA H 4.233 0.020 1 781 194 75 LYS HB2 H 1.831 0.020 2 782 194 75 LYS HB3 H 1.717 0.020 2 783 194 75 LYS HD2 H 1.583 0.020 1 784 194 75 LYS HD3 H 1.583 0.020 1 785 194 75 LYS HE2 H 2.897 0.020 1 786 194 75 LYS HE3 H 2.897 0.020 1 787 194 75 LYS HG2 H 1.406 0.020 2 788 194 75 LYS HG3 H 1.342 0.020 2 789 194 75 LYS CA C 56.203 0.3 1 790 194 75 LYS CB C 32.256 0.3 1 791 194 75 LYS CD C 28.792 0.3 1 792 194 75 LYS CE C 41.636 0.3 1 793 194 75 LYS CG C 24.482 0.3 1 794 194 75 LYS N N 121.600 0.3 1 795 195 76 GLY H H 8.130 0.020 1 796 195 76 GLY HA2 H 3.948 0.020 1 797 195 76 GLY CA C 45.039 0.3 1 798 195 76 GLY N N 109.241 0.3 1 799 196 77 GLU H H 7.788 0.020 1 800 196 77 GLU HA H 4.180 0.020 1 801 196 77 GLU HB2 H 1.681 0.020 1 802 196 77 GLU HB3 H 1.681 0.020 1 803 196 77 GLU HG2 H 2.102 0.020 1 804 196 77 GLU HG3 H 2.102 0.020 1 805 196 77 GLU CA C 55.349 0.3 1 806 196 77 GLU CB C 29.880 0.3 1 807 196 77 GLU CG C 34.662 0.3 1 808 196 77 GLU N N 119.706 0.3 1 809 197 78 ASN H H 8.380 0.020 1 810 197 78 ASN HA H 4.578 0.020 1 811 197 78 ASN HB2 H 2.652 0.020 2 812 197 78 ASN HB3 H 2.563 0.020 2 813 197 78 ASN HD21 H 7.461 0.020 1 814 197 78 ASN HD22 H 6.774 0.020 1 815 197 78 ASN CA C 52.482 0.3 1 816 197 78 ASN CB C 39.343 0.3 1 817 197 78 ASN N N 119.786 0.3 1 818 197 78 ASN ND2 N 112.743 0.3 1 819 198 79 PHE H H 8.493 0.020 1 820 198 79 PHE HA H 5.134 0.020 1 821 198 79 PHE HB2 H 2.925 0.020 2 822 198 79 PHE HB3 H 3.104 0.020 2 823 198 79 PHE HD1 H 7.261 0.020 1 824 198 79 PHE HD2 H 7.261 0.020 1 825 198 79 PHE HE1 H 7.361 0.020 1 826 198 79 PHE HE2 H 7.361 0.020 1 827 198 79 PHE HZ H 7.292 0.020 1 828 198 79 PHE CA C 56.455 0.3 1 829 198 79 PHE CB C 39.640 0.3 1 830 198 79 PHE CD1 C 131.428 0.3 1 831 198 79 PHE CE1 C 129.836 0.3 1 832 198 79 PHE CZ C 131.316 0.3 1 833 198 79 PHE N N 121.788 0.3 1 834 199 80 THR H H 9.379 0.020 1 835 199 80 THR HA H 4.542 0.020 1 836 199 80 THR HB H 4.724 0.020 1 837 199 80 THR HG2 H 1.353 0.020 1 838 199 80 THR CA C 60.242 0.3 1 839 199 80 THR CB C 71.766 0.3 1 840 199 80 THR CG2 C 21.436 0.3 1 841 199 80 THR N N 116.015 0.3 1 842 200 81 GLU H H 9.020 0.020 1 843 200 81 GLU HA H 4.023 0.020 1 844 200 81 GLU HB2 H 2.067 0.020 2 845 200 81 GLU HB3 H 1.994 0.020 2 846 200 81 GLU HG2 H 2.374 0.020 2 847 200 81 GLU HG3 H 2.318 0.020 2 848 200 81 GLU CA C 59.189 0.3 1 849 200 81 GLU CB C 28.219 0.3 1 850 200 81 GLU CG C 34.777 0.3 1 851 200 81 GLU N N 119.789 0.3 1 852 201 82 THR H H 7.881 0.020 1 853 201 82 THR HA H 3.723 0.020 1 854 201 82 THR HB H 3.688 0.020 1 855 201 82 THR HG2 H 0.685 0.020 1 856 201 82 THR CA C 66.263 0.3 1 857 201 82 THR CB C 68.075 0.3 1 858 201 82 THR CG2 C 21.111 0.3 1 859 201 82 THR N N 116.065 0.3 1 860 202 83 ASP H H 7.431 0.020 1 861 202 83 ASP HA H 4.478 0.020 1 862 202 83 ASP HB2 H 3.152 0.020 2 863 202 83 ASP HB3 H 2.406 0.020 2 864 202 83 ASP CA C 57.688 0.3 1 865 202 83 ASP CB C 40.863 0.3 1 866 202 83 ASP N N 119.991 0.3 1 867 203 84 VAL H H 8.140 0.020 1 868 203 84 VAL HA H 3.284 0.020 1 869 203 84 VAL HB H 2.062 0.020 1 870 203 84 VAL HG1 H 0.938 0.020 2 871 203 84 VAL HG2 H 0.827 0.020 2 872 203 84 VAL CA C 67.021 0.3 1 873 203 84 VAL CB C 31.261 0.3 1 874 203 84 VAL CG1 C 22.494 0.3 1 875 203 84 VAL CG2 C 20.871 0.3 1 876 203 84 VAL N N 119.672 0.3 1 877 204 85 LYS H H 7.654 0.020 1 878 204 85 LYS HA H 3.979 0.020 1 879 204 85 LYS HB2 H 1.840 0.020 2 880 204 85 LYS HB3 H 1.902 0.020 2 881 204 85 LYS HD2 H 1.591 0.020 1 882 204 85 LYS HD3 H 1.591 0.020 1 883 204 85 LYS HE2 H 2.863 0.020 1 884 204 85 LYS HE3 H 2.863 0.020 1 885 204 85 LYS HG2 H 1.542 0.020 2 886 204 85 LYS HG3 H 1.353 0.020 2 887 204 85 LYS CA C 58.922 0.3 1 888 204 85 LYS CB C 31.787 0.3 1 889 204 85 LYS CD C 28.881 0.3 1 890 204 85 LYS CE C 41.526 0.3 1 891 204 85 LYS CG C 24.876 0.3 1 892 204 85 LYS N N 119.068 0.3 1 893 205 86 MET H H 8.141 0.020 1 894 205 86 MET HA H 4.055 0.020 1 895 205 86 MET HB2 H 2.225 0.020 2 896 205 86 MET HB3 H 1.822 0.020 2 897 205 86 MET HE H 1.414 0.020 1 898 205 86 MET HG2 H 2.909 0.020 2 899 205 86 MET HG3 H 2.251 0.020 2 900 205 86 MET CA C 59.273 0.3 1 901 205 86 MET CB C 32.545 0.3 1 902 205 86 MET CE C 18.005 0.3 1 903 205 86 MET CG C 33.646 0.3 1 904 205 86 MET N N 118.581 0.3 1 905 206 87 MET H H 8.637 0.020 1 906 206 87 MET HA H 3.466 0.020 1 907 206 87 MET HB2 H 1.827 0.020 2 908 206 87 MET HB3 H 1.718 0.020 2 909 206 87 MET HE H 1.459 0.020 1 910 206 87 MET HG2 H 1.944 0.020 2 911 206 87 MET HG3 H 1.783 0.020 2 912 206 87 MET CA C 59.104 0.3 1 913 206 87 MET CB C 32.916 0.3 1 914 206 87 MET CE C 16.175 0.3 1 915 206 87 MET CG C 32.183 0.3 1 916 206 87 MET N N 118.200 0.3 1 917 207 88 GLU H H 8.277 0.020 1 918 207 88 GLU HA H 3.600 0.020 1 919 207 88 GLU HB2 H 2.132 0.020 2 920 207 88 GLU HB3 H 2.005 0.020 2 921 207 88 GLU HG2 H 2.485 0.020 2 922 207 88 GLU HG3 H 2.169 0.020 2 923 207 88 GLU CA C 60.036 0.3 1 924 207 88 GLU CB C 27.658 0.3 1 925 207 88 GLU CG C 34.448 0.3 1 926 207 88 GLU N N 118.001 0.3 1 927 208 89 ARG H H 7.245 0.020 1 928 208 89 ARG HA H 4.064 0.020 1 929 208 89 ARG HB2 H 1.819 0.020 2 930 208 89 ARG HB3 H 1.988 0.020 2 931 208 89 ARG HD2 H 3.128 0.020 2 932 208 89 ARG HD3 H 3.045 0.020 2 933 208 89 ARG HE H 7.202 0.020 1 934 208 89 ARG HG2 H 1.696 0.020 2 935 208 89 ARG HG3 H 1.650 0.020 2 936 208 89 ARG CA C 57.914 0.3 1 937 208 89 ARG CB C 29.486 0.3 1 938 208 89 ARG CD C 41.991 0.3 1 939 208 89 ARG CG C 26.563 0.3 1 940 208 89 ARG N N 116.975 0.3 1 941 208 89 ARG NE N 86.127 0.3 1 942 209 90 VAL H H 8.109 0.020 1 943 209 90 VAL HA H 3.610 0.020 1 944 209 90 VAL HB H 2.208 0.020 1 945 209 90 VAL HG1 H 1.229 0.020 2 946 209 90 VAL HG2 H 1.140 0.020 2 947 209 90 VAL CA C 65.510 0.3 1 948 209 90 VAL CB C 32.059 0.3 1 949 209 90 VAL CG1 C 23.846 0.3 1 950 209 90 VAL CG2 C 20.780 0.3 1 951 209 90 VAL N N 119.194 0.3 1 952 210 91 VAL H H 8.824 0.020 1 953 210 91 VAL HA H 3.529 0.020 1 954 210 91 VAL HB H 2.154 0.020 1 955 210 91 VAL HG1 H 1.127 0.020 2 956 210 91 VAL HG2 H 0.887 0.020 2 957 210 91 VAL CA C 65.946 0.3 1 958 210 91 VAL CB C 30.999 0.3 1 959 210 91 VAL CG1 C 24.234 0.3 1 960 210 91 VAL CG2 C 23.791 0.3 1 961 210 91 VAL N N 120.179 0.3 1 962 211 92 GLU H H 8.135 0.020 1 963 211 92 GLU HA H 3.505 0.020 1 964 211 92 GLU HB2 H 2.132 0.020 2 965 211 92 GLU HB3 H 2.043 0.020 2 966 211 92 GLU HG2 H 2.183 0.020 2 967 211 92 GLU HG3 H 2.105 0.020 2 968 211 92 GLU CA C 60.487 0.3 1 969 211 92 GLU CB C 28.120 0.3 1 970 211 92 GLU CG C 34.731 0.3 1 971 211 92 GLU N N 120.179 0.3 1 972 212 93 GLN H H 7.185 0.020 1 973 212 93 GLN HA H 3.895 0.020 1 974 212 93 GLN HB2 H 2.062 0.020 2 975 212 93 GLN HB3 H 2.034 0.020 2 976 212 93 GLN HE21 H 7.303 0.020 1 977 212 93 GLN HE22 H 6.700 0.020 1 978 212 93 GLN HG2 H 2.366 0.020 2 979 212 93 GLN HG3 H 2.296 0.020 2 980 212 93 GLN CA C 58.639 0.3 1 981 212 93 GLN CB C 27.624 0.3 1 982 212 93 GLN CG C 33.607 0.3 1 983 212 93 GLN N N 115.568 0.3 1 984 212 93 GLN NE2 N 111.481 0.3 1 985 213 94 MET H H 8.203 0.020 1 986 213 94 MET HA H 4.051 0.020 1 987 213 94 MET HB2 H 2.103 0.020 2 988 213 94 MET HB3 H 1.963 0.020 2 989 213 94 MET HE H 1.826 0.020 1 990 213 94 MET HG2 H 2.763 0.020 2 991 213 94 MET HG3 H 2.399 0.020 2 992 213 94 MET CA C 59.574 0.3 1 993 213 94 MET CB C 34.055 0.3 1 994 213 94 MET CE C 16.837 0.3 1 995 213 94 MET CG C 32.325 0.3 1 996 213 94 MET N N 119.245 0.3 1 997 214 95 CYS H H 9.074 0.020 1 998 214 95 CYS HA H 4.317 0.020 1 999 214 95 CYS HB2 H 3.439 0.020 2 1000 214 95 CYS HB3 H 2.765 0.020 2 1001 214 95 CYS CA C 59.562 0.3 1 1002 214 95 CYS CB C 41.285 0.3 1 1003 214 95 CYS N N 119.003 0.3 1 1004 215 96 VAL H H 8.212 0.020 1 1005 215 96 VAL HA H 3.366 0.020 1 1006 215 96 VAL HB H 2.210 0.020 1 1007 215 96 VAL HG1 H 1.002 0.020 2 1008 215 96 VAL HG2 H 0.812 0.020 2 1009 215 96 VAL CA C 67.064 0.3 1 1010 215 96 VAL CB C 31.208 0.3 1 1011 215 96 VAL CG1 C 23.481 0.3 1 1012 215 96 VAL CG2 C 20.961 0.3 1 1013 215 96 VAL N N 123.127 0.3 1 1014 216 97 THR H H 8.037 0.020 1 1015 216 97 THR HA H 3.801 0.020 1 1016 216 97 THR HB H 4.212 0.020 1 1017 216 97 THR HG2 H 1.160 0.020 1 1018 216 97 THR CA C 66.389 0.3 1 1019 216 97 THR CB C 67.692 0.3 1 1020 216 97 THR CG2 C 22.059 0.3 1 1021 216 97 THR N N 117.829 0.3 1 1022 217 98 GLN H H 8.731 0.020 1 1023 217 98 GLN HA H 3.554 0.020 1 1024 217 98 GLN HB2 H 2.228 0.020 2 1025 217 98 GLN HB3 H 1.965 0.020 2 1026 217 98 GLN HE21 H 7.117 0.020 1 1027 217 98 GLN HE22 H 6.557 0.020 1 1028 217 98 GLN HG2 H 1.608 0.020 2 1029 217 98 GLN HG3 H 1.532 0.020 2 1030 217 98 GLN CA C 58.186 0.3 1 1031 217 98 GLN CB C 27.967 0.3 1 1032 217 98 GLN CG C 32.150 0.3 1 1033 217 98 GLN N N 122.249 0.3 1 1034 217 98 GLN NE2 N 113.879 0.3 1 1035 218 99 TYR H H 8.360 0.020 1 1036 218 99 TYR HA H 2.793 0.020 1 1037 218 99 TYR HB2 H 2.929 0.020 2 1038 218 99 TYR HB3 H 2.639 0.020 2 1039 218 99 TYR HD1 H 6.103 0.020 1 1040 218 99 TYR HD2 H 6.103 0.020 1 1041 218 99 TYR HE1 H 6.476 0.020 1 1042 218 99 TYR HE2 H 6.476 0.020 1 1043 218 99 TYR CA C 61.529 0.3 1 1044 218 99 TYR CB C 36.751 0.3 1 1045 218 99 TYR CD1 C 132.639 0.3 1 1046 218 99 TYR CE1 C 117.673 0.3 1 1047 218 99 TYR N N 119.717 0.3 1 1048 219 100 GLN H H 8.112 0.020 1 1049 219 100 GLN HA H 3.618 0.020 1 1050 219 100 GLN HB2 H 2.216 0.020 2 1051 219 100 GLN HB3 H 1.974 0.020 2 1052 219 100 GLN HE21 H 7.341 0.020 1 1053 219 100 GLN HE22 H 6.717 0.020 1 1054 219 100 GLN HG2 H 2.612 0.020 2 1055 219 100 GLN HG3 H 2.370 0.020 2 1056 219 100 GLN CA C 58.578 0.3 1 1057 219 100 GLN CB C 27.291 0.3 1 1058 219 100 GLN CG C 33.420 0.3 1 1059 219 100 GLN N N 119.349 0.3 1 1060 219 100 GLN NE2 N 110.639 0.3 1 1061 220 101 LYS H H 7.928 0.020 1 1062 220 101 LYS HA H 3.891 0.020 1 1063 220 101 LYS HB2 H 1.725 0.020 1 1064 220 101 LYS HB3 H 1.725 0.020 1 1065 220 101 LYS HD2 H 1.498 0.020 1 1066 220 101 LYS HD3 H 1.498 0.020 1 1067 220 101 LYS HE2 H 2.810 0.020 1 1068 220 101 LYS HE3 H 2.810 0.020 1 1069 220 101 LYS HG2 H 1.445 0.020 2 1070 220 101 LYS HG3 H 1.286 0.020 2 1071 220 101 LYS CA C 58.879 0.3 1 1072 220 101 LYS CB C 32.141 0.3 1 1073 220 101 LYS CD C 29.097 0.3 1 1074 220 101 LYS CE C 41.478 0.3 1 1075 220 101 LYS CG C 24.666 0.3 1 1076 220 101 LYS N N 118.897 0.3 1 1077 221 102 GLU H H 8.181 0.020 1 1078 221 102 GLU HA H 3.988 0.020 1 1079 221 102 GLU HB2 H 2.085 0.020 2 1080 221 102 GLU HB3 H 1.525 0.020 2 1081 221 102 GLU HG2 H 2.068 0.020 2 1082 221 102 GLU HG3 H 2.340 0.020 2 1083 221 102 GLU CA C 57.136 0.3 1 1084 221 102 GLU CB C 29.242 0.3 1 1085 221 102 GLU CG C 35.572 0.3 1 1086 221 102 GLU N N 117.249 0.3 1 1087 222 103 SER H H 8.169 0.020 1 1088 222 103 SER HA H 3.898 0.020 1 1089 222 103 SER HB2 H 3.479 0.020 2 1090 222 103 SER HB3 H 3.251 0.020 2 1091 222 103 SER CA C 60.449 0.3 1 1092 222 103 SER CB C 62.075 0.3 1 1093 222 103 SER N N 114.786 0.3 1 1094 223 104 GLN H H 7.532 0.020 1 1095 223 104 GLN HA H 4.024 0.020 1 1096 223 104 GLN HB2 H 2.003 0.020 1 1097 223 104 GLN HB3 H 2.003 0.020 1 1098 223 104 GLN HE21 H 7.457 0.020 1 1099 223 104 GLN HE22 H 6.728 0.020 1 1100 223 104 GLN HG2 H 2.367 0.020 2 1101 223 104 GLN HG3 H 2.290 0.020 2 1102 223 104 GLN CA C 57.260 0.3 1 1103 223 104 GLN CB C 28.127 0.3 1 1104 223 104 GLN CG C 33.511 0.3 1 1105 223 104 GLN N N 120.551 0.3 1 1106 223 104 GLN NE2 N 112.098 0.3 1 1107 224 105 ALA H H 7.531 0.020 1 1108 224 105 ALA HA H 4.102 0.020 1 1109 224 105 ALA HB H 1.290 0.020 1 1110 224 105 ALA CA C 53.276 0.3 1 1111 224 105 ALA CB C 18.453 0.3 1 1112 224 105 ALA N N 120.935 0.3 1 1113 225 106 TYR H H 7.826 0.020 1 1114 225 106 TYR HA H 4.239 0.020 1 1115 225 106 TYR HB2 H 2.862 0.020 2 1116 225 106 TYR HB3 H 2.739 0.020 2 1117 225 106 TYR HD1 H 6.710 0.020 1 1118 225 106 TYR HD2 H 6.710 0.020 1 1119 225 106 TYR HE1 H 6.640 0.020 1 1120 225 106 TYR HE2 H 6.640 0.020 1 1121 225 106 TYR CA C 58.876 0.3 1 1122 225 106 TYR CB C 38.517 0.3 1 1123 225 106 TYR CD1 C 133.020 0.3 1 1124 225 106 TYR CE1 C 117.986 0.3 1 1125 225 106 TYR N N 118.375 0.3 1 1126 226 107 TYR H H 7.950 0.020 1 1127 226 107 TYR HA H 4.250 0.020 1 1128 226 107 TYR HB2 H 3.003 0.020 2 1129 226 107 TYR HB3 H 2.863 0.020 2 1130 226 107 TYR HD1 H 7.086 0.020 1 1131 226 107 TYR HD2 H 7.086 0.020 1 1132 226 107 TYR HE1 H 6.756 0.020 1 1133 226 107 TYR HE2 H 6.756 0.020 1 1134 226 107 TYR CA C 58.701 0.3 1 1135 226 107 TYR CB C 38.043 0.3 1 1136 226 107 TYR CD1 C 133.277 0.3 1 1137 226 107 TYR CE1 C 118.091 0.3 1 1138 226 107 TYR N N 119.669 0.3 1 1139 227 108 ASP H H 8.067 0.020 1 1140 227 108 ASP HA H 4.455 0.020 1 1141 227 108 ASP HB2 H 2.684 0.020 1 1142 227 108 ASP HB3 H 2.684 0.020 1 1143 227 108 ASP CA C 53.963 0.3 1 1144 227 108 ASP CB C 39.746 0.3 1 1145 227 108 ASP N N 120.564 0.3 1 1146 228 109 GLY H H 7.779 0.020 1 1147 228 109 GLY HA2 H 3.811 0.020 1 1148 228 109 GLY HA3 H 3.811 0.020 1 1149 228 109 GLY CA C 45.184 0.3 1 1150 228 109 GLY N N 107.962 0.3 1 1151 229 110 ARG H H 7.812 0.020 1 1152 229 110 ARG HA H 4.227 0.020 1 1153 229 110 ARG HB2 H 1.646 0.020 2 1154 229 110 ARG HB3 H 1.751 0.020 2 1155 229 110 ARG HD2 H 2.997 0.020 1 1156 229 110 ARG HD3 H 2.997 0.020 1 1157 229 110 ARG HE H 7.148 0.020 1 1158 229 110 ARG HG2 H 1.484 0.020 1 1159 229 110 ARG HG3 H 1.484 0.020 1 1160 229 110 ARG CA C 55.665 0.3 1 1161 229 110 ARG CB C 30.280 0.3 1 1162 229 110 ARG CG C 26.659 0.3 1 1163 229 110 ARG N N 119.790 0.3 1 1164 229 110 ARG NE N 87.528 0.3 1 1165 230 111 ARG H H 8.193 0.020 1 1166 230 111 ARG HA H 4.307 0.020 1 1167 230 111 ARG HB2 H 1.676 0.020 2 1168 230 111 ARG HB3 H 1.801 0.020 2 1169 230 111 ARG HD2 H 3.075 0.020 2 1170 230 111 ARG HD3 H 3.010 0.020 2 1171 230 111 ARG HG2 H 1.554 0.020 2 1172 230 111 ARG HG3 H 1.507 0.020 2 1173 230 111 ARG CA C 55.528 0.3 1 1174 230 111 ARG CB C 30.701 0.3 1 1175 230 111 ARG CD C 42.860 0.3 1 1176 230 111 ARG CG C 26.746 0.3 1 1177 230 111 ARG N N 121.854 0.3 1 1178 231 112 SER H H 8.314 0.020 1 1179 231 112 SER HA H 4.413 0.020 1 1180 231 112 SER HB2 H 3.824 0.020 2 1181 231 112 SER HB3 H 3.783 0.020 2 1182 231 112 SER CA C 57.873 0.3 1 1183 231 112 SER CB C 63.395 0.3 1 1184 231 112 SER N N 117.334 0.3 1 1185 232 113 SER H H 7.925 0.020 1 1186 232 113 SER HA H 4.205 0.020 1 1187 232 113 SER HB2 H 3.785 0.020 1 1188 232 113 SER HB3 H 3.785 0.020 1 1189 232 113 SER CA C 59.403 0.3 1 1190 232 113 SER CB C 64.097 0.3 1 1191 232 113 SER N N 122.411 0.3 1 stop_ save_