data_16185 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Mouse Prion Protein (121-231) with Mutation V166A ; _BMRB_accession_number 16185 _BMRB_flat_file_name bmr16185.str _Entry_type original _Submission_date 2009-02-24 _Accession_date 2009-02-24 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Christen Barbara . . 2 Hornemann Simone . . 3 Damberger Fred F. . 4 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 422 "13C chemical shifts" 367 "15N chemical shifts" 135 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-27 update BMRB 'edit entity/assembly name' 2009-05-20 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Prion Protein NMR Structure from Tammar Wallaby (Macropus eugenii) Shows that the beta2-alpha2 Loop Is Modulated by Long-Range Sequence Effects' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19393664 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Christen Barbara . . 2 Hornemann Simone . . 3 Damberger Fred F. . 4 Wuthrich Kurt . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Mouse Prion Protein (121-231)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label mpp_121-231 $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 mpp_121-231 _Molecular_mass 13380.906 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 114 _Mol_residue_sequence ; GSVVGGLGGYMLGSAMSRPM IHFGNDWEDRYYRENMYRYP NQVYYRPADQYSNQNNFVHD CVNITIKQHTVTTTTKGENF TETDVKMMERVVEQMCVTQY QKESQAYYDGRRSS ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 VAL 4 VAL 5 GLY 6 GLY 7 LEU 8 GLY 9 GLY 10 TYR 11 MET 12 LEU 13 GLY 14 SER 15 ALA 16 MET 17 SER 18 ARG 19 PRO 20 MET 21 ILE 22 HIS 23 PHE 24 GLY 25 ASN 26 ASP 27 TRP 28 GLU 29 ASP 30 ARG 31 TYR 32 TYR 33 ARG 34 GLU 35 ASN 36 MET 37 TYR 38 ARG 39 TYR 40 PRO 41 ASN 42 GLN 43 VAL 44 TYR 45 TYR 46 ARG 47 PRO 48 ALA 49 ASP 50 GLN 51 TYR 52 SER 53 ASN 54 GLN 55 ASN 56 ASN 57 PHE 58 VAL 59 HIS 60 ASP 61 CYS 62 VAL 63 ASN 64 ILE 65 THR 66 ILE 67 LYS 68 GLN 69 HIS 70 THR 71 VAL 72 THR 73 THR 74 THR 75 THR 76 LYS 77 GLY 78 GLU 79 ASN 80 PHE 81 THR 82 GLU 83 THR 84 ASP 85 VAL 86 LYS 87 MET 88 MET 89 GLU 90 ARG 91 VAL 92 VAL 93 GLU 94 GLN 95 MET 96 CYS 97 VAL 98 THR 99 GLN 100 TYR 101 GLN 102 LYS 103 GLU 104 SER 105 GLN 106 ALA 107 TYR 108 TYR 109 ASP 110 GLY 111 ARG 112 ARG 113 SER 114 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 98.25 99.12 1.02e-77 BMRB 16071 mPrP90 99.12 144 98.23 99.12 1.93e-77 BMRB 16075 mPrP90_M129V 99.12 141 97.35 99.12 8.08e-77 BMRB 16076 mPrP90_P102L 99.12 141 98.23 99.12 1.17e-77 BMRB 16077 mPrP90_P105L 99.12 141 98.23 99.12 1.17e-77 BMRB 16078 mPrP90_A117V 99.12 142 98.23 99.12 2.07e-77 BMRB 16079 mPrP90_3AV 99.12 142 98.23 99.12 3.49e-77 BMRB 16080 mPrP90_2II 99.12 142 98.23 99.12 1.89e-77 BMRB 16184 mpp_121-231 100.00 114 97.37 97.37 1.48e-76 BMRB 16722 "mouse prion protein double mutant D167S, N173K" 99.12 113 98.23 98.23 8.78e-77 BMRB 16723 "mouse prion protein double mutant D167S, N173K" 99.12 113 97.35 97.35 5.38e-76 BMRB 17081 "Prion with Y169G mutation" 100.00 114 98.25 98.25 5.55e-77 BMRB 17082 mPrP121-231_F175A 100.00 114 98.25 98.25 3.04e-77 BMRB 17084 prion 100.00 114 99.12 99.12 2.31e-78 BMRB 17174 Mouse_prion 100.00 114 99.12 99.12 2.31e-78 BMRB 17213 entity 100.00 114 98.25 98.25 1.67e-77 BMRB 17758 mPrP(121-232) 100.00 114 99.12 99.12 2.31e-78 BMRB 17759 mPrP(121-232) 100.00 114 97.37 97.37 1.39e-75 PDB 1AG2 "Prion Protein Domain Prp(121-231) From Mouse, Nmr, 2 Minimized Average Structure" 89.47 103 99.02 99.02 2.83e-69 PDB 1XYX "Mouse Prion Protein Fragment 121-231" 98.25 112 99.11 99.11 7.38e-77 PDB 1Y15 "Mouse Prion Protein With Mutation N174t" 98.25 112 98.21 98.21 5.38e-76 PDB 1Y16 "Mouse Prion Protein With Mutations S170n And N174t" 98.25 112 97.32 98.21 2.38e-75 PDB 2K5O "Mouse Prion Protein (121-231) With Mutation S170n" 100.00 114 98.25 99.12 1.02e-77 PDB 2KFM "Mouse Prion Protein (121-231) With Mutations Y225a And Y226a" 100.00 114 97.37 97.37 1.48e-76 PDB 2KFO "Mouse Prion Protein (121-231) With Mutation V166a" 100.00 114 100.00 100.00 4.36e-79 PDB 2KU5 "Mouse Prion Protein (121-231) With Mutation D167s" 99.12 113 98.23 98.23 8.78e-77 PDB 2KU6 "Mouse Prion Protein (121-231) With Mutations D167s And N173k" 99.12 113 97.35 97.35 5.38e-76 PDB 2L1D "Mouse Prion Protein (121-231) Containing The Substitution Y169g" 100.00 114 98.25 98.25 5.55e-77 PDB 2L1E "Mouse Prion Protein (121-231) Containing The Substitution F175a" 100.00 114 98.25 98.25 3.04e-77 PDB 2L1H "Mouse Prion Protein Fragment 121-231 At 20 C" 100.00 114 99.12 99.12 2.31e-78 PDB 2L39 "Mouse Prion Protein Fragment 121-231 At 37 C" 100.00 114 99.12 99.12 2.31e-78 PDB 2L40 "Mouse Prion Protein (121-231) Containing The Substitution Y169a" 100.00 114 98.25 98.25 1.67e-77 PDB 4H88 "Structure Of Pom1 Fab Fragment Complexed With Mouse Prpc Fragment 120- 230" 97.37 111 98.20 98.20 1.62e-75 PDB 4MA7 "Crystal Structure Of Mouse Prion Protein Complexed With Promazine" 98.25 114 98.21 99.11 8.31e-77 PDB 4MA8 "Crystal Structure Of Mouse Prion Protein Complexed With Chlorpromazine" 98.25 114 98.21 99.11 8.31e-77 DBJ BAA08790 "prion protein [Rattus norvegicus]" 100.00 254 97.37 99.12 1.28e-76 DBJ BAE28320 "unnamed protein product [Mus musculus]" 100.00 254 97.37 99.12 1.05e-76 DBJ BAE28693 "unnamed protein product [Mus musculus]" 100.00 254 97.37 98.25 2.86e-76 DBJ BAE29994 "unnamed protein product [Mus musculus]" 100.00 254 97.37 98.25 3.80e-76 DBJ BAE34221 "unnamed protein product [Mus musculus]" 100.00 254 98.25 99.12 5.67e-77 EMBL CAJ18553 "Prnp [Mus musculus]" 100.00 254 98.25 99.12 5.73e-77 GB AAA39996 "prion protein [Mus musculus]" 100.00 254 97.37 99.12 2.65e-76 GB AAA39997 "prion protein [Mus musculus]" 100.00 254 98.25 99.12 5.73e-77 GB AAA39998 "prion protein [Mus musculus]" 100.00 254 97.37 98.25 2.96e-76 GB AAA41947 "prion-related protein, partial [Rattus norvegicus]" 100.00 226 97.37 99.12 3.63e-77 GB AAB30728 "prion protein [Rattus norvegicus]" 100.00 254 97.37 99.12 1.28e-76 REF NP_001265185 "major prion protein precursor [Mus musculus]" 100.00 254 98.25 99.12 5.73e-77 REF NP_035300 "major prion protein precursor [Mus musculus]" 100.00 254 98.25 99.12 5.73e-77 REF NP_036763 "major prion protein precursor [Rattus norvegicus]" 100.00 254 97.37 99.12 1.28e-76 REF XP_006235124 "PREDICTED: major prion protein isoform X1 [Rattus norvegicus]" 100.00 254 97.37 99.12 1.28e-76 SP P04925 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 100.00 254 98.25 99.12 5.73e-77 SP P13852 "RecName: Full=Major prion protein; Short=PrP; AltName: CD_antigen=CD230; Flags: Precursor" 100.00 254 97.37 99.12 1.28e-76 SP Q9Z0T3 "RecName: Full=Major prion protein; Short=PrP; AltName: CD_antigen=CD230; Flags: Precursor" 100.00 254 97.37 99.12 1.96e-76 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $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 . pRSETA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'The sample additionally contains a protease inhibitor cocktail' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1.4 mM '[U-99% 13C; U-99% 15N]' 'sodium acetate' 10 mM '[U-100% 2H]' 'sodium azide' 0.02 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_ATNOS_CANDID _Saveframe_category software _Name ATHNOS-CANDID _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Herrmann, Guntert and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_DYANA _Saveframe_category software _Name DYANA _Version 1.0.3 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_OPALP _Saveframe_category software _Name OPALP _Version . loop_ _Vendor _Address _Electronic_address 'Luginbuhl, Guntert, Billeter and Wuthrich' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.01 . M pH 4.5 . pH pressure 1 . atm temperature 293.1 . 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 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HNCA' '3D CBCA(CO)NH' 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 mpp_121-231 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 119 1 GLY CA C 43.291 0.3 1 2 120 2 SER HA H 4.611 0.020 1 3 120 2 SER CA C 58.022 0.3 1 4 120 2 SER CB C 64.072 0.3 1 5 120 2 SER N N 115.780 0.3 1 6 121 3 VAL HA H 4.204 0.020 1 7 121 3 VAL HB H 2.072 0.020 1 8 121 3 VAL CA C 62.278 0.3 1 9 121 3 VAL CB C 32.728 0.3 1 10 121 3 VAL CG1 C 20.503 0.3 1 11 121 3 VAL CG2 C 21.131 0.3 1 12 121 3 VAL N N 122.306 0.3 1 13 122 4 VAL HA H 4.115 0.020 1 14 122 4 VAL HB H 2.047 0.020 1 15 122 4 VAL CA C 62.478 0.3 1 16 122 4 VAL CB C 32.579 0.3 1 17 122 4 VAL CG1 C 20.794 0.3 1 18 122 4 VAL CG2 C 21.101 0.3 1 19 122 4 VAL N N 125.136 0.3 1 20 123 5 GLY CA C 45.282 0.3 1 21 123 5 GLY N N 113.524 0.3 1 22 124 6 GLY CA C 45.293 0.3 1 23 124 6 GLY N N 108.634 0.3 1 24 125 7 LEU HA H 4.390 0.020 1 25 125 7 LEU HB2 H 1.568 0.020 2 26 125 7 LEU HB3 H 1.642 0.020 2 27 125 7 LEU HG H 1.536 0.020 1 28 125 7 LEU CA C 54.809 0.3 1 29 125 7 LEU CB C 42.427 0.3 1 30 125 7 LEU CD1 C 24.661 0.3 1 31 125 7 LEU CD2 C 23.494 0.3 1 32 125 7 LEU CG C 26.876 0.3 1 33 125 7 LEU N N 121.817 0.3 1 34 126 8 GLY HA2 H 3.927 0.020 1 35 126 8 GLY CA C 46.228 0.3 1 36 126 8 GLY N N 109.919 0.3 1 37 127 9 GLY HA2 H 3.936 0.020 1 38 127 9 GLY CA C 45.066 0.3 1 39 127 9 GLY N N 109.078 0.3 1 40 128 10 TYR HA H 4.493 0.020 1 41 128 10 TYR HB2 H 2.936 0.020 2 42 128 10 TYR HB3 H 2.855 0.020 2 43 128 10 TYR CA C 57.989 0.3 1 44 128 10 TYR CB C 39.993 0.3 1 45 128 10 TYR CD1 C 133.277 0.3 1 46 128 10 TYR CE1 C 118.593 0.3 1 47 128 10 TYR N N 117.855 0.3 1 48 129 11 MET HA H 4.544 0.020 1 49 129 11 MET HB2 H 1.604 0.020 2 50 129 11 MET HB3 H 1.048 0.020 2 51 129 11 MET CA C 53.765 0.3 1 52 129 11 MET CB C 34.633 0.3 1 53 129 11 MET CE C 17.123 0.3 1 54 129 11 MET CG C 31.870 0.3 1 55 129 11 MET N N 121.229 0.3 1 56 130 12 LEU HA H 4.475 0.020 1 57 130 12 LEU HB2 H 1.624 0.020 2 58 130 12 LEU HB3 H 0.985 0.020 2 59 130 12 LEU HG H 1.400 0.020 1 60 130 12 LEU CA C 53.373 0.3 1 61 130 12 LEU CB C 43.409 0.3 1 62 130 12 LEU CD1 C 25.728 0.3 1 63 130 12 LEU CD2 C 21.732 0.3 1 64 130 12 LEU CG C 25.967 0.3 1 65 130 12 LEU N N 121.455 0.3 1 66 131 13 GLY HA2 H 4.445 0.020 1 67 131 13 GLY CA C 44.940 0.3 1 68 131 13 GLY N N 115.150 0.3 1 69 132 14 SER HA H 4.419 0.020 1 70 132 14 SER HB2 H 3.913 0.020 2 71 132 14 SER HB3 H 3.989 0.020 2 72 132 14 SER CA C 58.453 0.3 1 73 132 14 SER CB C 63.982 0.3 1 74 132 14 SER N N 113.673 0.3 1 75 133 15 ALA HA H 4.435 0.020 1 76 133 15 ALA CA C 52.845 0.3 1 77 133 15 ALA CB C 18.373 0.3 1 78 133 15 ALA N N 125.535 0.3 1 79 134 16 MET HA H 4.752 0.020 1 80 134 16 MET HB2 H 2.065 0.020 2 81 134 16 MET HB3 H 1.992 0.020 2 82 134 16 MET HG2 H 2.556 0.020 2 83 134 16 MET HG3 H 2.466 0.020 2 84 134 16 MET CA C 53.902 0.3 1 85 134 16 MET CB C 36.614 0.3 1 86 134 16 MET CE C 17.861 0.3 1 87 134 16 MET CG C 31.543 0.3 1 88 134 16 MET N N 121.631 0.3 1 89 135 17 SER HA H 4.349 0.020 1 90 135 17 SER HB2 H 3.848 0.020 2 91 135 17 SER HB3 H 3.763 0.020 2 92 135 17 SER CA C 58.665 0.3 1 93 135 17 SER CB C 63.033 0.3 1 94 135 17 SER N N 116.112 0.3 1 95 136 18 ARG HA H 4.389 0.020 1 96 136 18 ARG HB2 H 1.860 0.020 2 97 136 18 ARG HB3 H 1.798 0.020 2 98 136 18 ARG HD2 H 3.073 0.020 2 99 136 18 ARG HD3 H 2.965 0.020 2 100 136 18 ARG HE H 6.913 0.020 1 101 136 18 ARG HG2 H 1.699 0.020 2 102 136 18 ARG HG3 H 1.621 0.020 2 103 136 18 ARG CA C 54.801 0.3 1 104 136 18 ARG CB C 28.768 0.3 1 105 136 18 ARG CD C 43.817 0.3 1 106 136 18 ARG CG C 29.440 0.3 1 107 136 18 ARG N N 126.453 0.3 1 108 136 18 ARG NE N 85.610 0.3 1 109 137 19 PRO HA H 4.439 0.020 1 110 137 19 PRO HB2 H 2.243 0.020 2 111 137 19 PRO HB3 H 1.781 0.020 2 112 137 19 PRO HD2 H 3.933 0.020 2 113 137 19 PRO HD3 H 3.671 0.020 2 114 137 19 PRO HG2 H 2.043 0.020 2 115 137 19 PRO HG3 H 2.024 0.020 2 116 137 19 PRO CA C 62.271 0.3 1 117 137 19 PRO CB C 32.255 0.3 1 118 137 19 PRO CD C 50.577 0.3 1 119 137 19 PRO CG C 27.313 0.3 1 120 138 20 MET HA H 4.901 0.020 1 121 138 20 MET HB2 H 2.026 0.020 2 122 138 20 MET HB3 H 2.006 0.020 2 123 138 20 MET HG2 H 2.699 0.020 2 124 138 20 MET HG3 H 2.334 0.020 2 125 138 20 MET CA C 53.944 0.3 1 126 138 20 MET CB C 30.225 0.3 1 127 138 20 MET CE C 16.414 0.3 1 128 138 20 MET CG C 31.863 0.3 1 129 138 20 MET N N 122.199 0.3 1 130 139 21 ILE HA H 3.828 0.020 1 131 139 21 ILE HB H 0.782 0.020 1 132 139 21 ILE HG12 H 0.906 0.020 2 133 139 21 ILE HG13 H 0.736 0.020 2 134 139 21 ILE CA C 59.465 0.3 1 135 139 21 ILE CB C 38.874 0.3 1 136 139 21 ILE CD1 C 12.433 0.3 1 137 139 21 ILE CG1 C 26.595 0.3 1 138 139 21 ILE CG2 C 17.128 0.3 1 139 139 21 ILE N N 124.729 0.3 1 140 140 22 HIS HA H 4.925 0.020 1 141 140 22 HIS HB2 H 3.309 0.020 2 142 140 22 HIS HB3 H 2.959 0.020 2 143 140 22 HIS HD2 H 7.237 0.020 1 144 140 22 HIS HE1 H 8.605 0.020 1 145 140 22 HIS CA C 54.075 0.3 1 146 140 22 HIS CB C 29.481 0.3 1 147 140 22 HIS CD2 C 120.180 0.3 1 148 140 22 HIS CE1 C 136.719 0.3 1 149 140 22 HIS N N 121.960 0.3 1 150 141 23 PHE HA H 4.274 0.020 1 151 141 23 PHE HB2 H 3.304 0.020 2 152 141 23 PHE HB3 H 2.798 0.020 2 153 141 23 PHE HZ H 6.769 0.020 1 154 141 23 PHE CA C 59.595 0.3 1 155 141 23 PHE CB C 40.829 0.3 1 156 141 23 PHE CD1 C 132.364 0.3 1 157 141 23 PHE CE1 C 131.477 0.3 1 158 141 23 PHE CZ C 129.404 0.3 1 159 141 23 PHE N N 124.650 0.3 1 160 142 24 GLY HA2 H 4.140 0.020 1 161 142 24 GLY CA C 45.642 0.3 1 162 142 24 GLY N N 109.150 0.3 1 163 143 25 ASN HA H 4.899 0.020 1 164 143 25 ASN HB2 H 2.725 0.020 2 165 143 25 ASN HB3 H 2.714 0.020 2 166 143 25 ASN HD21 H 7.612 0.020 1 167 143 25 ASN HD22 H 7.429 0.020 1 168 143 25 ASN CA C 52.509 0.3 1 169 143 25 ASN CB C 41.523 0.3 1 170 143 25 ASN N N 114.465 0.3 1 171 143 25 ASN ND2 N 115.786 0.3 1 172 144 26 ASP HA H 4.453 0.020 1 173 144 26 ASP CA C 57.804 0.3 1 174 144 26 ASP CB C 40.996 0.3 1 175 144 26 ASP N N 123.531 0.3 1 176 145 27 TRP HA H 4.245 0.020 1 177 145 27 TRP HD1 H 7.352 0.020 1 178 145 27 TRP HE1 H 10.253 0.020 1 179 145 27 TRP HE3 H 7.364 0.020 1 180 145 27 TRP HH2 H 6.903 0.020 1 181 145 27 TRP HZ2 H 7.439 0.020 1 182 145 27 TRP HZ3 H 6.724 0.020 1 183 145 27 TRP CA C 61.794 0.3 1 184 145 27 TRP CB C 28.298 0.3 1 185 145 27 TRP CD1 C 127.934 0.3 1 186 145 27 TRP CE3 C 121.019 0.3 1 187 145 27 TRP CH2 C 125.176 0.3 1 188 145 27 TRP CZ2 C 114.999 0.3 1 189 145 27 TRP CZ3 C 121.542 0.3 1 190 145 27 TRP N N 120.623 0.3 1 191 145 27 TRP NE1 N 129.596 0.3 1 192 146 28 GLU HA H 3.462 0.020 1 193 146 28 GLU HB2 H 1.849 0.020 2 194 146 28 GLU HB3 H 1.278 0.020 2 195 146 28 GLU HG2 H 2.154 0.020 2 196 146 28 GLU HG3 H 1.606 0.020 2 197 146 28 GLU CA C 59.787 0.3 1 198 146 28 GLU CB C 29.420 0.3 1 199 146 28 GLU CG C 36.905 0.3 1 200 146 28 GLU N N 120.314 0.3 1 201 147 29 ASP HA H 4.701 0.020 1 202 147 29 ASP HB2 H 2.942 0.020 2 203 147 29 ASP HB3 H 2.847 0.020 2 204 147 29 ASP CA C 58.577 0.3 1 205 147 29 ASP CB C 40.358 0.3 1 206 147 29 ASP N N 119.103 0.3 1 207 148 30 ARG HA H 3.985 0.020 1 208 148 30 ARG HD2 H 3.218 0.020 2 209 148 30 ARG HD3 H 3.197 0.020 2 210 148 30 ARG HE H 7.457 0.020 1 211 148 30 ARG HG2 H 1.730 0.020 2 212 148 30 ARG HG3 H 1.495 0.020 2 213 148 30 ARG CA C 59.592 0.3 1 214 148 30 ARG CB C 29.845 0.3 1 215 148 30 ARG CD C 43.513 0.3 1 216 148 30 ARG CG C 27.688 0.3 1 217 148 30 ARG N N 120.067 0.3 1 218 148 30 ARG NE N 85.201 0.3 1 219 149 31 TYR HA H 3.747 0.020 1 220 149 31 TYR HB2 H 2.682 0.020 2 221 149 31 TYR HB3 H 2.319 0.020 2 222 149 31 TYR CA C 62.190 0.3 1 223 149 31 TYR CB C 38.183 0.3 1 224 149 31 TYR CD1 C 133.899 0.3 1 225 149 31 TYR CE1 C 118.319 0.3 1 226 149 31 TYR N N 120.980 0.3 1 227 150 32 TYR HA H 4.094 0.020 1 228 150 32 TYR HB2 H 3.564 0.020 2 229 150 32 TYR HB3 H 3.227 0.020 2 230 150 32 TYR CA C 63.110 0.3 1 231 150 32 TYR CB C 38.390 0.3 1 232 150 32 TYR CD1 C 133.821 0.3 1 233 150 32 TYR CE1 C 118.700 0.3 1 234 150 32 TYR N N 120.400 0.3 1 235 151 33 ARG HA H 3.871 0.020 1 236 151 33 ARG HB2 H 2.037 0.020 2 237 151 33 ARG HB3 H 1.972 0.020 2 238 151 33 ARG HD2 H 3.366 0.020 2 239 151 33 ARG HD3 H 3.292 0.020 2 240 151 33 ARG HE H 7.492 0.020 1 241 151 33 ARG HG2 H 2.007 0.020 2 242 151 33 ARG HG3 H 1.760 0.020 2 243 151 33 ARG CA C 59.986 0.3 1 244 151 33 ARG CB C 29.799 0.3 1 245 151 33 ARG CD C 43.554 0.3 1 246 151 33 ARG CG C 28.430 0.3 1 247 151 33 ARG N N 117.276 0.3 1 248 151 33 ARG NE N 84.830 0.3 1 249 152 34 GLU HA H 4.116 0.020 1 250 152 34 GLU HG2 H 2.473 0.020 2 251 152 34 GLU HG3 H 2.276 0.020 2 252 152 34 GLU CA C 57.626 0.3 1 253 152 34 GLU CB C 29.694 0.3 1 254 152 34 GLU CG C 35.627 0.3 1 255 152 34 GLU N N 115.346 0.3 1 256 153 35 ASN HA H 4.520 0.020 1 257 153 35 ASN HB2 H 2.253 0.020 2 258 153 35 ASN HB3 H 2.149 0.020 2 259 153 35 ASN HD21 H 6.740 0.020 1 260 153 35 ASN HD22 H 6.538 0.020 1 261 153 35 ASN CA C 54.802 0.3 1 262 153 35 ASN CB C 41.173 0.3 1 263 153 35 ASN N N 115.321 0.3 1 264 153 35 ASN ND2 N 116.762 0.3 1 265 154 36 MET HA H 3.482 0.020 1 266 154 36 MET HB2 H 1.589 0.020 2 267 154 36 MET HB3 H 1.262 0.020 2 268 154 36 MET HG2 H 2.291 0.020 2 269 154 36 MET HG3 H 1.785 0.020 2 270 154 36 MET CA C 59.161 0.3 1 271 154 36 MET CB C 30.578 0.3 1 272 154 36 MET CE C 17.270 0.3 1 273 154 36 MET CG C 30.165 0.3 1 274 154 36 MET N N 118.288 0.3 1 275 155 37 TYR HA H 4.149 0.020 1 276 155 37 TYR HB2 H 3.017 0.020 2 277 155 37 TYR HB3 H 2.945 0.020 2 278 155 37 TYR CA C 59.355 0.3 1 279 155 37 TYR CB C 36.182 0.3 1 280 155 37 TYR CD1 C 133.547 0.3 1 281 155 37 TYR CE1 C 118.847 0.3 1 282 155 37 TYR N N 116.279 0.3 1 283 156 38 ARG HA H 4.033 0.020 1 284 156 38 ARG HB2 H 1.961 0.020 2 285 156 38 ARG HB3 H 1.330 0.020 2 286 156 38 ARG HD2 H 3.207 0.020 2 287 156 38 ARG HD3 H 3.084 0.020 2 288 156 38 ARG HE H 7.270 0.020 1 289 156 38 ARG HG2 H 1.275 0.020 2 290 156 38 ARG HG3 H 0.654 0.020 2 291 156 38 ARG HH21 H 6.429 0.020 1 292 156 38 ARG CA C 56.341 0.3 1 293 156 38 ARG CB C 30.671 0.3 1 294 156 38 ARG CD C 44.334 0.3 1 295 156 38 ARG CG C 27.385 0.3 1 296 156 38 ARG N N 118.511 0.3 1 297 156 38 ARG NE N 84.637 0.3 1 298 157 39 TYR HA H 5.059 0.020 1 299 157 39 TYR HB2 H 3.139 0.020 2 300 157 39 TYR HB3 H 3.101 0.020 2 301 157 39 TYR CA C 52.918 0.3 1 302 157 39 TYR CB C 35.171 0.3 1 303 157 39 TYR CD1 C 131.623 0.3 1 304 157 39 TYR CE1 C 117.675 0.3 1 305 157 39 TYR N N 120.419 0.3 1 306 158 40 PRO HA H 4.486 0.020 1 307 158 40 PRO HB2 H 2.462 0.020 2 308 158 40 PRO HB3 H 1.756 0.020 2 309 158 40 PRO HD2 H 3.475 0.020 2 310 158 40 PRO HD3 H 3.217 0.020 2 311 158 40 PRO HG2 H 1.605 0.020 2 312 158 40 PRO HG3 H 1.409 0.020 2 313 158 40 PRO CA C 63.475 0.3 1 314 158 40 PRO CB C 32.426 0.3 1 315 158 40 PRO CD C 50.133 0.3 1 316 158 40 PRO CG C 27.306 0.3 1 317 159 41 ASN HA H 4.745 0.020 1 318 159 41 ASN HB2 H 3.753 0.020 2 319 159 41 ASN HB3 H 2.401 0.020 2 320 159 41 ASN HD21 H 7.527 0.020 1 321 159 41 ASN HD22 H 6.832 0.020 1 322 159 41 ASN CA C 51.687 0.3 1 323 159 41 ASN CB C 38.091 0.3 1 324 159 41 ASN N N 115.694 0.3 1 325 159 41 ASN ND2 N 109.107 0.3 1 326 160 42 GLN HA H 4.618 0.020 1 327 160 42 GLN HB2 H 1.984 0.020 2 328 160 42 GLN HB3 H 1.707 0.020 2 329 160 42 GLN HE21 H 7.930 0.020 1 330 160 42 GLN HE22 H 7.047 0.020 1 331 160 42 GLN HG2 H 2.169 0.020 2 332 160 42 GLN HG3 H 2.050 0.020 2 333 160 42 GLN CA C 54.136 0.3 1 334 160 42 GLN CB C 33.732 0.3 1 335 160 42 GLN CG C 34.168 0.3 1 336 160 42 GLN N N 113.759 0.3 1 337 160 42 GLN NE2 N 112.899 0.3 1 338 161 43 VAL HA H 4.925 0.020 1 339 161 43 VAL HB H 2.606 0.020 1 340 161 43 VAL CA C 58.681 0.3 1 341 161 43 VAL CB C 33.978 0.3 1 342 161 43 VAL CG1 C 23.814 0.3 1 343 161 43 VAL CG2 C 18.075 0.3 1 344 161 43 VAL N N 113.036 0.3 1 345 162 44 TYR HA H 5.567 0.020 1 346 162 44 TYR HB2 H 2.631 0.020 2 347 162 44 TYR HB3 H 2.555 0.020 2 348 162 44 TYR CA C 56.909 0.3 1 349 162 44 TYR CB C 41.887 0.3 1 350 162 44 TYR CD1 C 133.317 0.3 1 351 162 44 TYR CE1 C 118.739 0.3 1 352 162 44 TYR N N 121.286 0.3 1 353 163 45 TYR HA H 4.857 0.020 1 354 163 45 TYR HB2 H 2.856 0.020 2 355 163 45 TYR HB3 H 2.702 0.020 2 356 163 45 TYR CA C 55.865 0.3 1 357 163 45 TYR CB C 40.139 0.3 1 358 163 45 TYR CD1 C 134.338 0.3 1 359 163 45 TYR CE1 C 117.918 0.3 1 360 163 45 TYR N N 111.088 0.3 1 361 164 46 ARG HA H 4.672 0.020 1 362 164 46 ARG HB2 H 1.822 0.020 2 363 164 46 ARG HB3 H 1.696 0.020 2 364 164 46 ARG HD2 H 2.878 0.020 2 365 164 46 ARG HD3 H 2.859 0.020 2 366 164 46 ARG HE H 6.609 0.020 1 367 164 46 ARG HG2 H 1.161 0.020 2 368 164 46 ARG HG3 H 1.010 0.020 2 369 164 46 ARG CA C 53.389 0.3 1 370 164 46 ARG CB C 30.018 0.3 1 371 164 46 ARG CD C 43.606 0.3 1 372 164 46 ARG CG C 27.815 0.3 1 373 164 46 ARG N N 120.736 0.3 1 374 164 46 ARG NE N 84.608 0.3 1 375 165 47 PRO HA H 4.580 0.020 1 376 165 47 PRO HB2 H 2.515 0.020 2 377 165 47 PRO HB3 H 2.023 0.020 2 378 165 47 PRO HD2 H 3.692 0.020 2 379 165 47 PRO HD3 H 3.501 0.020 2 380 165 47 PRO HG2 H 2.172 0.020 2 381 165 47 PRO HG3 H 2.035 0.020 2 382 165 47 PRO CA C 63.896 0.3 1 383 165 47 PRO CB C 32.563 0.3 1 384 165 47 PRO CD C 50.136 0.3 1 385 165 47 PRO CG C 28.282 0.3 1 386 166 48 ALA HA H 4.540 0.020 1 387 166 48 ALA CA C 55.459 0.3 1 388 166 48 ALA CB C 18.784 0.3 1 389 166 48 ALA N N 123.501 0.3 1 390 167 49 ASP HA H 4.521 0.020 1 391 167 49 ASP HB2 H 2.987 0.020 2 392 167 49 ASP HB3 H 2.619 0.020 2 393 167 49 ASP CA C 54.465 0.3 1 394 167 49 ASP CB C 38.964 0.3 1 395 167 49 ASP N N 114.256 0.3 1 396 168 50 GLN HA H 4.133 0.020 1 397 168 50 GLN HB2 H 1.941 0.020 2 398 168 50 GLN HB3 H 1.808 0.020 2 399 168 50 GLN HE21 H 7.580 0.020 1 400 168 50 GLN HE22 H 6.834 0.020 1 401 168 50 GLN HG2 H 2.240 0.020 2 402 168 50 GLN HG3 H 2.211 0.020 2 403 168 50 GLN CA C 55.979 0.3 1 404 168 50 GLN CB C 27.517 0.3 1 405 168 50 GLN CG C 34.085 0.3 1 406 168 50 GLN N N 118.024 0.3 1 407 168 50 GLN NE2 N 112.430 0.3 1 408 169 51 TYR HA H 4.911 0.020 1 409 169 51 TYR HB2 H 3.311 0.020 2 410 169 51 TYR HB3 H 3.064 0.020 2 411 169 51 TYR CA C 56.934 0.3 1 412 169 51 TYR CB C 41.761 0.3 1 413 169 51 TYR CD1 C 134.276 0.3 1 414 169 51 TYR CE1 C 119.205 0.3 1 415 169 51 TYR N N 117.344 0.3 1 416 170 52 SER HA H 4.539 0.020 1 417 170 52 SER HB2 H 4.059 0.020 2 418 170 52 SER HB3 H 3.979 0.020 2 419 170 52 SER CA C 58.928 0.3 1 420 170 52 SER CB C 63.947 0.3 1 421 170 52 SER N N 115.093 0.3 1 422 171 53 ASN HA H 4.752 0.020 1 423 171 53 ASN HB2 H 3.200 0.020 2 424 171 53 ASN HB3 H 3.021 0.020 2 425 171 53 ASN HD21 H 7.530 0.020 1 426 171 53 ASN HD22 H 6.725 0.020 1 427 171 53 ASN CA C 52.432 0.3 1 428 171 53 ASN CB C 40.000 0.3 1 429 171 53 ASN N N 114.623 0.3 1 430 171 53 ASN ND2 N 113.356 0.3 1 431 172 54 GLN HA H 2.671 0.020 1 432 172 54 GLN HB2 H 1.785 0.020 2 433 172 54 GLN HB3 H 1.626 0.020 2 434 172 54 GLN HE21 H 7.429 0.020 1 435 172 54 GLN HE22 H 6.934 0.020 1 436 172 54 GLN HG2 H 1.886 0.020 2 437 172 54 GLN HG3 H 1.300 0.020 2 438 172 54 GLN CA C 58.819 0.3 1 439 172 54 GLN CB C 29.661 0.3 1 440 172 54 GLN CG C 33.687 0.3 1 441 172 54 GLN N N 119.901 0.3 1 442 172 54 GLN NE2 N 112.411 0.3 1 443 173 55 ASN HA H 4.235 0.020 1 444 173 55 ASN HB2 H 2.756 0.020 2 445 173 55 ASN HB3 H 2.661 0.020 2 446 173 55 ASN HD21 H 7.624 0.020 1 447 173 55 ASN HD22 H 7.000 0.020 1 448 173 55 ASN CA C 56.456 0.3 1 449 173 55 ASN CB C 37.679 0.3 1 450 173 55 ASN N N 117.544 0.3 1 451 173 55 ASN ND2 N 112.848 0.3 1 452 174 56 ASN HA H 4.569 0.020 1 453 174 56 ASN HB2 H 3.200 0.020 2 454 174 56 ASN HB3 H 2.909 0.020 2 455 174 56 ASN HD21 H 7.667 0.020 1 456 174 56 ASN HD22 H 7.201 0.020 1 457 174 56 ASN CA C 55.995 0.3 1 458 174 56 ASN CB C 38.089 0.3 1 459 174 56 ASN N N 118.593 0.3 1 460 174 56 ASN ND2 N 111.908 0.3 1 461 175 57 PHE HB2 H 3.070 0.020 2 462 175 57 PHE HB3 H 3.051 0.020 2 463 175 57 PHE HZ H 6.767 0.020 1 464 175 57 PHE CA C 60.809 0.3 1 465 175 57 PHE CB C 38.794 0.3 1 466 175 57 PHE CD1 C 133.155 0.3 1 467 175 57 PHE CE1 C 132.579 0.3 1 468 175 57 PHE CZ C 129.574 0.3 1 469 175 57 PHE N N 121.923 0.3 1 470 176 58 VAL HA H 3.446 0.020 1 471 176 58 VAL HB H 2.223 0.020 1 472 176 58 VAL CA C 67.557 0.3 1 473 176 58 VAL CB C 31.904 0.3 1 474 176 58 VAL CG1 C 24.529 0.3 1 475 176 58 VAL CG2 C 21.722 0.3 1 476 176 58 VAL N N 120.437 0.3 1 477 177 59 HIS HA H 4.317 0.020 1 478 177 59 HIS HB2 H 3.393 0.020 2 479 177 59 HIS HB3 H 3.356 0.020 2 480 177 59 HIS HD2 H 7.403 0.020 1 481 177 59 HIS HE1 H 8.659 0.020 1 482 177 59 HIS CA C 59.185 0.3 1 483 177 59 HIS CB C 28.342 0.3 1 484 177 59 HIS CD2 C 120.589 0.3 1 485 177 59 HIS CE1 C 136.719 0.3 1 486 177 59 HIS N N 116.640 0.3 1 487 178 60 ASP HA H 4.605 0.020 1 488 178 60 ASP HB2 H 2.982 0.020 2 489 178 60 ASP HB3 H 2.964 0.020 2 490 178 60 ASP CA C 57.094 0.3 1 491 178 60 ASP CB C 40.899 0.3 1 492 178 60 ASP N N 118.381 0.3 1 493 179 61 CYS HA H 4.705 0.020 1 494 179 61 CYS HB2 H 3.235 0.020 2 495 179 61 CYS HB3 H 2.880 0.020 2 496 179 61 CYS CA C 58.716 0.3 1 497 179 61 CYS CB C 40.781 0.3 1 498 179 61 CYS N N 119.690 0.3 1 499 180 62 VAL HA H 3.665 0.020 1 500 180 62 VAL HB H 2.169 0.020 1 501 180 62 VAL CA C 66.138 0.3 1 502 180 62 VAL CB C 31.959 0.3 1 503 180 62 VAL CG1 C 23.649 0.3 1 504 180 62 VAL CG2 C 21.662 0.3 1 505 180 62 VAL N N 124.578 0.3 1 506 181 63 ASN HA H 4.339 0.020 1 507 181 63 ASN HB2 H 2.897 0.020 2 508 181 63 ASN HB3 H 2.809 0.020 2 509 181 63 ASN HD21 H 7.692 0.020 1 510 181 63 ASN HD22 H 6.812 0.020 1 511 181 63 ASN CA C 56.604 0.3 1 512 181 63 ASN CB C 38.699 0.3 1 513 181 63 ASN N N 116.528 0.3 1 514 181 63 ASN ND2 N 112.033 0.3 1 515 182 64 ILE HA H 3.745 0.020 1 516 182 64 ILE HB H 1.584 0.020 1 517 182 64 ILE CA C 62.340 0.3 1 518 182 64 ILE CB C 36.545 0.3 1 519 182 64 ILE CD1 C 11.421 0.3 1 520 182 64 ILE CG1 C 27.548 0.3 1 521 182 64 ILE CG2 C 18.300 0.3 1 522 182 64 ILE N N 118.906 0.3 1 523 183 65 THR HA H 4.070 0.020 1 524 183 65 THR HB H 4.514 0.020 1 525 183 65 THR HG1 H 6.385 0.020 1 526 183 65 THR CA C 68.804 0.3 1 527 183 65 THR CB C 68.242 0.3 1 528 183 65 THR CG2 C 22.291 0.3 1 529 183 65 THR N N 118.241 0.3 1 530 184 66 ILE HA H 3.750 0.020 1 531 184 66 ILE HB H 2.127 0.020 1 532 184 66 ILE HG12 H 1.820 0.020 2 533 184 66 ILE HG13 H 1.290 0.020 2 534 184 66 ILE CA C 65.495 0.3 1 535 184 66 ILE CB C 36.611 0.3 1 536 184 66 ILE CD1 C 12.735 0.3 1 537 184 66 ILE CG1 C 29.592 0.3 1 538 184 66 ILE CG2 C 16.837 0.3 1 539 184 66 ILE N N 120.940 0.3 1 540 185 67 LYS HA H 4.078 0.020 1 541 185 67 LYS HG2 H 1.505 0.020 2 542 185 67 LYS HG3 H 1.404 0.020 2 543 185 67 LYS CA C 59.906 0.3 1 544 185 67 LYS CB C 32.183 0.3 1 545 185 67 LYS CD C 29.189 0.3 1 546 185 67 LYS CE C 41.992 0.3 1 547 185 67 LYS CG C 25.075 0.3 1 548 185 67 LYS N N 122.672 0.3 1 549 186 68 GLN HA H 4.047 0.020 1 550 186 68 GLN HB2 H 1.982 0.020 2 551 186 68 GLN HB3 H 1.874 0.020 2 552 186 68 GLN HE21 H 6.765 0.020 1 553 186 68 GLN HE22 H 6.748 0.020 1 554 186 68 GLN HG2 H 2.098 0.020 2 555 186 68 GLN HG3 H 1.508 0.020 2 556 186 68 GLN CA C 57.454 0.3 1 557 186 68 GLN CB C 28.202 0.3 1 558 186 68 GLN CG C 33.375 0.3 1 559 186 68 GLN N N 116.197 0.3 1 560 186 68 GLN NE2 N 110.263 0.3 1 561 187 69 HIS HA H 4.625 0.020 1 562 187 69 HIS HB2 H 3.387 0.020 2 563 187 69 HIS HB3 H 3.326 0.020 2 564 187 69 HIS HD2 H 7.350 0.020 1 565 187 69 HIS HE1 H 8.277 0.020 1 566 187 69 HIS CA C 58.347 0.3 1 567 187 69 HIS CB C 29.783 0.3 1 568 187 69 HIS CD2 C 119.651 0.3 1 569 187 69 HIS CE1 C 138.177 0.3 1 570 187 69 HIS N N 117.465 0.3 1 571 188 70 THR HA H 4.265 0.020 1 572 188 70 THR HB H 4.426 0.020 1 573 188 70 THR CA C 64.604 0.3 1 574 188 70 THR CB C 69.372 0.3 1 575 188 70 THR CG2 C 21.528 0.3 1 576 188 70 THR N N 113.935 0.3 1 577 189 71 VAL HA H 4.064 0.020 1 578 189 71 VAL HB H 2.226 0.020 1 579 189 71 VAL CA C 64.476 0.3 1 580 189 71 VAL CB C 32.155 0.3 1 581 189 71 VAL CG1 C 21.324 0.3 1 582 189 71 VAL CG2 C 21.066 0.3 1 583 189 71 VAL N N 121.862 0.3 1 584 190 72 THR HA H 4.303 0.020 1 585 190 72 THR HB H 4.298 0.020 1 586 190 72 THR CA C 63.584 0.3 1 587 190 72 THR CB C 69.401 0.3 1 588 190 72 THR CG2 C 21.671 0.3 1 589 190 72 THR N N 115.351 0.3 1 590 191 73 THR HA H 4.292 0.020 1 591 191 73 THR HB H 4.217 0.020 1 592 191 73 THR CA C 63.437 0.3 1 593 191 73 THR CB C 69.212 0.3 1 594 191 73 THR CG2 C 21.512 0.3 1 595 191 73 THR N N 115.107 0.3 1 596 192 74 THR HA H 4.410 0.020 1 597 192 74 THR HB H 4.387 0.020 1 598 192 74 THR CA C 63.536 0.3 1 599 192 74 THR CB C 69.385 0.3 1 600 192 74 THR CG2 C 21.563 0.3 1 601 192 74 THR N N 116.247 0.3 1 602 193 75 THR HA H 4.282 0.020 1 603 193 75 THR HB H 4.294 0.020 1 604 193 75 THR CA C 63.397 0.3 1 605 193 75 THR CB C 69.310 0.3 1 606 193 75 THR CG2 C 21.711 0.3 1 607 193 75 THR N N 116.195 0.3 1 608 194 76 LYS HA H 4.342 0.020 1 609 194 76 LYS HB2 H 1.941 0.020 2 610 194 76 LYS HB3 H 1.830 0.020 2 611 194 76 LYS HG2 H 1.512 0.020 2 612 194 76 LYS HG3 H 1.453 0.020 2 613 194 76 LYS CA C 56.634 0.3 1 614 194 76 LYS CB C 32.514 0.3 1 615 194 76 LYS CD C 29.122 0.3 1 616 194 76 LYS CE C 42.073 0.3 1 617 194 76 LYS CG C 24.822 0.3 1 618 194 76 LYS N N 121.697 0.3 1 619 195 77 GLY HA2 H 4.054 0.020 1 620 195 77 GLY CA C 45.452 0.3 1 621 195 77 GLY N N 109.391 0.3 1 622 196 78 GLU HA H 4.277 0.020 1 623 196 78 GLU HG2 H 2.181 0.020 2 624 196 78 GLU HG3 H 2.169 0.020 2 625 196 78 GLU CA C 55.760 0.3 1 626 196 78 GLU CB C 30.347 0.3 1 627 196 78 GLU CG C 35.254 0.3 1 628 196 78 GLU N N 120.005 0.3 1 629 197 79 ASN HA H 4.681 0.020 1 630 197 79 ASN HB2 H 2.753 0.020 2 631 197 79 ASN HB3 H 2.664 0.020 2 632 197 79 ASN HD21 H 7.592 0.020 1 633 197 79 ASN HD22 H 6.887 0.020 1 634 197 79 ASN CA C 52.972 0.3 1 635 197 79 ASN CB C 39.686 0.3 1 636 197 79 ASN N N 120.031 0.3 1 637 197 79 ASN ND2 N 113.155 0.3 1 638 198 80 PHE HA H 5.264 0.020 1 639 198 80 PHE HB2 H 3.211 0.020 2 640 198 80 PHE HB3 H 3.031 0.020 2 641 198 80 PHE CA C 56.809 0.3 1 642 198 80 PHE CB C 39.901 0.3 1 643 198 80 PHE CD1 C 131.826 0.3 1 644 198 80 PHE CE1 C 130.278 0.3 1 645 198 80 PHE N N 122.119 0.3 1 646 199 81 THR HA H 4.640 0.020 1 647 199 81 THR HB H 4.860 0.020 1 648 199 81 THR CA C 60.670 0.3 1 649 199 81 THR CB C 72.105 0.3 1 650 199 81 THR CG2 C 21.727 0.3 1 651 199 81 THR N N 116.408 0.3 1 652 200 82 GLU HA H 4.121 0.020 1 653 200 82 GLU HB2 H 2.163 0.020 2 654 200 82 GLU HB3 H 2.097 0.020 2 655 200 82 GLU HG2 H 2.463 0.020 2 656 200 82 GLU HG3 H 2.408 0.020 2 657 200 82 GLU CA C 59.717 0.3 1 658 200 82 GLU CB C 28.629 0.3 1 659 200 82 GLU CG C 35.333 0.3 1 660 200 82 GLU N N 119.941 0.3 1 661 201 83 THR HA H 3.834 0.020 1 662 201 83 THR HB H 3.791 0.020 1 663 201 83 THR CA C 66.849 0.3 1 664 201 83 THR CB C 68.658 0.3 1 665 201 83 THR CG2 C 21.378 0.3 1 666 201 83 THR N N 116.450 0.3 1 667 202 84 ASP HA H 4.573 0.020 1 668 202 84 ASP HB2 H 3.260 0.020 2 669 202 84 ASP HB3 H 2.500 0.020 2 670 202 84 ASP CA C 57.963 0.3 1 671 202 84 ASP CB C 41.288 0.3 1 672 202 84 ASP N N 120.246 0.3 1 673 203 85 VAL HA H 3.381 0.020 1 674 203 85 VAL HB H 2.164 0.020 1 675 203 85 VAL CA C 67.642 0.3 1 676 203 85 VAL CB C 31.566 0.3 1 677 203 85 VAL CG1 C 22.782 0.3 1 678 203 85 VAL CG2 C 21.114 0.3 1 679 203 85 VAL N N 119.815 0.3 1 680 204 86 LYS HA H 4.087 0.020 1 681 204 86 LYS HB2 H 2.006 0.020 2 682 204 86 LYS HB3 H 1.952 0.020 2 683 204 86 LYS HG2 H 1.644 0.020 2 684 204 86 LYS HG3 H 1.486 0.020 2 685 204 86 LYS CA C 59.349 0.3 1 686 204 86 LYS CB C 32.057 0.3 1 687 204 86 LYS CD C 29.264 0.3 1 688 204 86 LYS CE C 41.998 0.3 1 689 204 86 LYS CG C 25.153 0.3 1 690 204 86 LYS N N 119.299 0.3 1 691 205 87 MET HA H 4.156 0.020 1 692 205 87 MET HB2 H 2.323 0.020 2 693 205 87 MET HB3 H 1.916 0.020 2 694 205 87 MET HG2 H 3.030 0.020 2 695 205 87 MET HG3 H 2.357 0.020 2 696 205 87 MET CA C 59.774 0.3 1 697 205 87 MET CB C 32.779 0.3 1 698 205 87 MET CE C 18.133 0.3 1 699 205 87 MET CG C 33.958 0.3 1 700 205 87 MET N N 118.804 0.3 1 701 206 88 MET HA H 3.559 0.020 1 702 206 88 MET HB2 H 1.912 0.020 2 703 206 88 MET HB3 H 1.812 0.020 2 704 206 88 MET HG2 H 2.033 0.020 2 705 206 88 MET HG3 H 1.891 0.020 2 706 206 88 MET CA C 59.578 0.3 1 707 206 88 MET CB C 33.152 0.3 1 708 206 88 MET CE C 16.289 0.3 1 709 206 88 MET CG C 32.533 0.3 1 710 206 88 MET N N 118.390 0.3 1 711 207 89 GLU HA H 3.702 0.020 1 712 207 89 GLU HB2 H 2.237 0.020 2 713 207 89 GLU HB3 H 2.107 0.020 2 714 207 89 GLU HG2 H 2.582 0.020 2 715 207 89 GLU HG3 H 2.257 0.020 2 716 207 89 GLU CA C 60.500 0.3 1 717 207 89 GLU CB C 27.981 0.3 1 718 207 89 GLU CG C 34.935 0.3 1 719 207 89 GLU N N 118.252 0.3 1 720 208 90 ARG HA H 4.171 0.020 1 721 208 90 ARG HB2 H 2.093 0.020 2 722 208 90 ARG HB3 H 1.924 0.020 2 723 208 90 ARG HD2 H 3.230 0.020 2 724 208 90 ARG HD3 H 3.146 0.020 2 725 208 90 ARG HE H 7.315 0.020 1 726 208 90 ARG HG2 H 1.804 0.020 2 727 208 90 ARG HG3 H 1.759 0.020 2 728 208 90 ARG CA C 58.356 0.3 1 729 208 90 ARG CB C 29.758 0.3 1 730 208 90 ARG CD C 42.401 0.3 1 731 208 90 ARG CG C 26.827 0.3 1 732 208 90 ARG N N 117.118 0.3 1 733 208 90 ARG NE N 83.222 0.3 1 734 209 91 VAL HA H 3.725 0.020 1 735 209 91 VAL HB H 2.323 0.020 1 736 209 91 VAL CA C 66.072 0.3 1 737 209 91 VAL CB C 32.346 0.3 1 738 209 91 VAL CG1 C 24.145 0.3 1 739 209 91 VAL CG2 C 21.055 0.3 1 740 209 91 VAL N N 119.460 0.3 1 741 210 92 VAL HA H 3.634 0.020 1 742 210 92 VAL HB H 2.263 0.020 1 743 210 92 VAL CA C 66.557 0.3 1 744 210 92 VAL CB C 31.311 0.3 1 745 210 92 VAL CG1 C 24.491 0.3 1 746 210 92 VAL CG2 C 24.083 0.3 1 747 210 92 VAL N N 120.469 0.3 1 748 211 93 GLU HA H 3.604 0.020 1 749 211 93 GLU HB2 H 2.238 0.020 2 750 211 93 GLU HB3 H 2.141 0.020 2 751 211 93 GLU HG2 H 2.276 0.020 2 752 211 93 GLU HG3 H 2.197 0.020 2 753 211 93 GLU CA C 61.036 0.3 1 754 211 93 GLU CB C 28.541 0.3 1 755 211 93 GLU CG C 35.291 0.3 1 756 211 93 GLU N N 120.378 0.3 1 757 212 94 GLN HA H 3.994 0.020 1 758 212 94 GLN HB2 H 2.164 0.020 2 759 212 94 GLN HB3 H 2.140 0.020 2 760 212 94 GLN HE21 H 7.433 0.020 1 761 212 94 GLN HE22 H 6.821 0.020 1 762 212 94 GLN HG2 H 2.472 0.020 2 763 212 94 GLN HG3 H 2.409 0.020 2 764 212 94 GLN CA C 59.111 0.3 1 765 212 94 GLN CB C 27.917 0.3 1 766 212 94 GLN CG C 33.983 0.3 1 767 212 94 GLN N N 115.598 0.3 1 768 212 94 GLN NE2 N 111.848 0.3 1 769 213 95 MET HA H 4.156 0.020 1 770 213 95 MET HB2 H 2.229 0.020 2 771 213 95 MET HB3 H 2.051 0.020 2 772 213 95 MET HG2 H 2.863 0.020 2 773 213 95 MET HG3 H 2.498 0.020 2 774 213 95 MET CA C 59.953 0.3 1 775 213 95 MET CB C 34.377 0.3 1 776 213 95 MET CE C 17.014 0.3 1 777 213 95 MET CG C 32.658 0.3 1 778 213 95 MET N N 119.411 0.3 1 779 214 96 CYS HA H 4.424 0.020 1 780 214 96 CYS HB2 H 3.555 0.020 2 781 214 96 CYS HB3 H 2.881 0.020 2 782 214 96 CYS CA C 59.914 0.3 1 783 214 96 CYS CB C 41.747 0.3 1 784 214 96 CYS N N 119.255 0.3 1 785 215 97 VAL HA H 3.441 0.020 1 786 215 97 VAL HB H 2.316 0.020 1 787 215 97 VAL CA C 67.689 0.3 1 788 215 97 VAL CB C 31.486 0.3 1 789 215 97 VAL CG1 C 23.767 0.3 1 790 215 97 VAL CG2 C 21.207 0.3 1 791 215 97 VAL N N 123.297 0.3 1 792 216 98 THR HA H 3.879 0.020 1 793 216 98 THR HB H 4.309 0.020 1 794 216 98 THR CA C 66.949 0.3 1 795 216 98 THR CB C 68.296 0.3 1 796 216 98 THR CG2 C 22.299 0.3 1 797 216 98 THR N N 117.808 0.3 1 798 217 99 GLN HA H 3.639 0.020 1 799 217 99 GLN HB2 H 2.312 0.020 2 800 217 99 GLN HB3 H 2.103 0.020 2 801 217 99 GLN HE21 H 7.176 0.020 1 802 217 99 GLN HE22 H 6.762 0.020 1 803 217 99 GLN HG2 H 1.649 0.020 2 804 217 99 GLN HG3 H 1.631 0.020 2 805 217 99 GLN CA C 58.516 0.3 1 806 217 99 GLN CB C 28.194 0.3 1 807 217 99 GLN CG C 32.451 0.3 1 808 217 99 GLN N N 122.213 0.3 1 809 217 99 GLN NE2 N 114.619 0.3 1 810 218 100 TYR HA H 2.951 0.020 1 811 218 100 TYR HB2 H 2.944 0.020 2 812 218 100 TYR HB3 H 2.667 0.020 2 813 218 100 TYR CA C 62.196 0.3 1 814 218 100 TYR CB C 37.177 0.3 1 815 218 100 TYR CD1 C 132.984 0.3 1 816 218 100 TYR CE1 C 117.912 0.3 1 817 218 100 TYR N N 120.135 0.3 1 818 219 101 GLN HA H 3.725 0.020 1 819 219 101 GLN HB2 H 2.273 0.020 2 820 219 101 GLN HB3 H 2.055 0.020 2 821 219 101 GLN HE21 H 7.463 0.020 1 822 219 101 GLN HE22 H 6.820 0.020 1 823 219 101 GLN HG2 H 2.690 0.020 2 824 219 101 GLN HG3 H 2.436 0.020 2 825 219 101 GLN CA C 58.680 0.3 1 826 219 101 GLN CB C 27.479 0.3 1 827 219 101 GLN CG C 33.861 0.3 1 828 219 101 GLN N N 118.754 0.3 1 829 219 101 GLN NE2 N 111.056 0.3 1 830 220 102 LYS HA H 3.994 0.020 1 831 220 102 LYS HB2 H 1.873 0.020 2 832 220 102 LYS HB3 H 1.828 0.020 2 833 220 102 LYS HG2 H 1.532 0.020 2 834 220 102 LYS HG3 H 1.360 0.020 2 835 220 102 LYS CA C 58.960 0.3 1 836 220 102 LYS CB C 32.341 0.3 1 837 220 102 LYS CD C 29.390 0.3 1 838 220 102 LYS CE C 41.921 0.3 1 839 220 102 LYS CG C 25.025 0.3 1 840 220 102 LYS N N 118.918 0.3 1 841 221 103 GLU HA H 4.091 0.020 1 842 221 103 GLU HB2 H 2.164 0.020 2 843 221 103 GLU HB3 H 1.645 0.020 2 844 221 103 GLU HG2 H 2.465 0.020 2 845 221 103 GLU HG3 H 2.202 0.020 2 846 221 103 GLU CA C 57.251 0.3 1 847 221 103 GLU CB C 29.521 0.3 1 848 221 103 GLU CG C 35.582 0.3 1 849 221 103 GLU N N 117.579 0.3 1 850 222 104 SER HA H 4.052 0.020 1 851 222 104 SER HB2 H 3.606 0.020 2 852 222 104 SER HB3 H 3.347 0.020 2 853 222 104 SER CA C 59.847 0.3 1 854 222 104 SER CB C 63.033 0.3 1 855 222 104 SER N N 114.200 0.3 1 856 223 105 GLN HA H 4.156 0.020 1 857 223 105 GLN HB2 H 2.099 0.020 2 858 223 105 GLN HB3 H 2.057 0.020 2 859 223 105 GLN HE21 H 7.572 0.020 1 860 223 105 GLN HE22 H 6.833 0.020 1 861 223 105 GLN HG2 H 2.424 0.020 2 862 223 105 GLN HG3 H 2.374 0.020 2 863 223 105 GLN CA C 56.959 0.3 1 864 223 105 GLN CB C 28.649 0.3 1 865 223 105 GLN CG C 33.762 0.3 1 866 223 105 GLN N N 120.823 0.3 1 867 223 105 GLN NE2 N 112.560 0.3 1 868 224 106 ALA HA H 4.211 0.020 1 869 224 106 ALA CA C 53.372 0.3 1 870 224 106 ALA CB C 18.636 0.3 1 871 224 106 ALA N N 122.214 0.3 1 872 225 107 TYR HA H 4.414 0.020 1 873 225 107 TYR CA C 58.663 0.3 1 874 225 107 TYR CB C 38.593 0.3 1 875 225 107 TYR CD1 C 133.487 0.3 1 876 225 107 TYR CE1 C 118.444 0.3 1 877 225 107 TYR N N 118.496 0.3 1 878 226 108 TYR HA H 4.401 0.020 1 879 226 108 TYR HB2 H 3.067 0.020 2 880 226 108 TYR HB3 H 2.964 0.020 2 881 226 108 TYR CA C 58.762 0.3 1 882 226 108 TYR CB C 38.614 0.3 1 883 226 108 TYR CD1 C 133.646 0.3 1 884 226 108 TYR CE1 C 118.525 0.3 1 885 226 108 TYR N N 121.138 0.3 1 886 227 109 ASP HA H 4.520 0.020 1 887 227 109 ASP CA C 54.315 0.3 1 888 227 109 ASP CB C 40.285 0.3 1 889 227 109 ASP N N 121.687 0.3 1 890 228 110 GLY HA2 H 3.933 0.020 1 891 228 110 GLY CA C 45.546 0.3 1 892 228 110 GLY N N 108.271 0.3 1 893 229 111 ARG HA H 4.330 0.020 1 894 229 111 ARG HB2 H 1.855 0.020 2 895 229 111 ARG HB3 H 1.759 0.020 2 896 229 111 ARG HE H 7.297 0.020 1 897 229 111 ARG CA C 56.173 0.3 1 898 229 111 ARG CB C 30.648 0.3 1 899 229 111 ARG CD C 43.316 0.3 1 900 229 111 ARG CG C 26.957 0.3 1 901 229 111 ARG N N 120.090 0.3 1 902 229 111 ARG NE N 84.700 0.3 1 903 230 112 ARG HA H 4.412 0.020 1 904 230 112 ARG HB2 H 1.903 0.020 2 905 230 112 ARG HB3 H 1.783 0.020 2 906 230 112 ARG HE H 7.218 0.020 1 907 230 112 ARG HG2 H 1.649 0.020 2 908 230 112 ARG HG3 H 1.629 0.020 2 909 230 112 ARG CA C 55.981 0.3 1 910 230 112 ARG CB C 30.980 0.3 1 911 230 112 ARG CD C 43.274 0.3 1 912 230 112 ARG CG C 27.062 0.3 1 913 230 112 ARG N N 122.184 0.3 1 914 230 112 ARG NE N 84.697 0.3 1 915 231 113 SER HA H 4.520 0.020 1 916 231 113 SER HB2 H 3.929 0.020 2 917 231 113 SER HB3 H 3.891 0.020 2 918 231 113 SER CA C 58.305 0.3 1 919 231 113 SER CB C 63.993 0.3 1 920 231 113 SER N N 117.680 0.3 1 921 232 114 SER HA H 4.303 0.020 1 922 232 114 SER CA C 59.904 0.3 1 923 232 114 SER CB C 64.669 0.3 1 924 232 114 SER N N 122.709 0.3 1 stop_ save_