data_16184 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Mouse Prion Protein (121-231) with Mutations Y225A and Y226A ; _BMRB_accession_number 16184 _BMRB_flat_file_name bmr16184.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" 412 "13C chemical shifts" 364 "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 13167.715 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 114 _Mol_residue_sequence ; GSVVGGLGGYMLGSAMSRPM IHFGNDWEDRYYRENMYRYP NQVYYRPVDQYSNQNNFVHD CVNITIKQHTVTTTTKGENF TETDVKMMERVVEQMCVTQY QKESQAAADGRRSS ; 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 VAL 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 ALA 108 ALA 109 ASP 110 GLY 111 ARG 112 ARG 113 SER 114 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-05 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15845 Prion_Protein 100.00 114 97.37 98.25 1.21e-76 BMRB 16071 mPrP90 99.12 144 97.35 98.23 3.33e-76 BMRB 16076 mPrP90_P102L 99.12 141 97.35 98.23 2.87e-76 BMRB 16077 mPrP90_P105L 99.12 141 97.35 98.23 2.87e-76 BMRB 16078 mPrP90_A117V 99.12 142 97.35 98.23 5.33e-76 BMRB 16079 mPrP90_3AV 99.12 142 97.35 98.23 8.16e-76 BMRB 16080 mPrP90_2II 99.12 142 97.35 98.23 4.20e-76 BMRB 16185 mpp_121-231 100.00 114 97.37 97.37 1.07e-76 BMRB 16722 "mouse prion protein double mutant D167S, N173K" 99.12 113 97.35 97.35 1.13e-75 BMRB 17081 "Prion with Y169G mutation" 100.00 114 97.37 97.37 9.38e-76 BMRB 17082 mPrP121-231_F175A 100.00 114 97.37 97.37 5.20e-76 BMRB 17084 prion 100.00 114 98.25 98.25 3.25e-77 BMRB 17087 "Prion with Y169A, Y225A, Y226A mutation" 100.00 114 99.12 99.12 1.58e-78 BMRB 17174 Mouse_prion 100.00 114 98.25 98.25 3.25e-77 BMRB 17213 entity 100.00 114 97.37 97.37 3.87e-76 BMRB 17758 mPrP(121-232) 100.00 114 98.25 98.25 3.25e-77 PDB 1AG2 "Prion Protein Domain Prp(121-231) From Mouse, Nmr, 2 Minimized Average Structure" 88.60 103 100.00 100.00 1.75e-69 PDB 1XYX "Mouse Prion Protein Fragment 121-231" 98.25 112 98.21 98.21 1.01e-75 PDB 1Y15 "Mouse Prion Protein With Mutation N174t" 98.25 112 97.32 97.32 6.14e-75 PDB 2K5O "Mouse Prion Protein (121-231) With Mutation S170n" 100.00 114 97.37 98.25 1.21e-76 PDB 2KFM "Mouse Prion Protein (121-231) With Mutations Y225a And Y226a" 100.00 114 100.00 100.00 1.69e-79 PDB 2KFO "Mouse Prion Protein (121-231) With Mutation V166a" 100.00 114 97.37 97.37 1.07e-76 PDB 2KU5 "Mouse Prion Protein (121-231) With Mutation D167s" 99.12 113 97.35 97.35 1.13e-75 PDB 2L1D "Mouse Prion Protein (121-231) Containing The Substitution Y169g" 100.00 114 97.37 97.37 9.38e-76 PDB 2L1E "Mouse Prion Protein (121-231) Containing The Substitution F175a" 100.00 114 97.37 97.37 5.20e-76 PDB 2L1H "Mouse Prion Protein Fragment 121-231 At 20 C" 100.00 114 98.25 98.25 3.25e-77 PDB 2L1K "Mouse Prion Protein (121-231) Containing The Substitutions Y169a, Y225a, And Y226a" 100.00 114 99.12 99.12 1.58e-78 PDB 2L39 "Mouse Prion Protein Fragment 121-231 At 37 C" 100.00 114 98.25 98.25 3.25e-77 PDB 2L40 "Mouse Prion Protein (121-231) Containing The Substitution Y169a" 100.00 114 97.37 97.37 3.87e-76 PDB 4H88 "Structure Of Pom1 Fab Fragment Complexed With Mouse Prpc Fragment 120- 230" 97.37 111 97.30 97.30 2.87e-74 PDB 4MA7 "Crystal Structure Of Mouse Prion Protein Complexed With Promazine" 98.25 114 97.32 98.21 1.55e-75 PDB 4MA8 "Crystal Structure Of Mouse Prion Protein Complexed With Chlorpromazine" 98.25 114 97.32 98.21 1.55e-75 DBJ BAE34221 "unnamed protein product [Mus musculus]" 100.00 254 97.37 98.25 1.40e-75 DBJ BAE34724 "unnamed protein product [Mus musculus]" 100.00 254 97.37 98.25 1.09e-75 DBJ BAE34788 "unnamed protein product [Mus musculus]" 100.00 254 97.37 98.25 1.09e-75 DBJ BAE34911 "unnamed protein product [Mus musculus]" 100.00 254 97.37 98.25 1.09e-75 DBJ BAE35622 "unnamed protein product [Mus musculus]" 100.00 254 97.37 98.25 1.09e-75 EMBL CAJ18553 "Prnp [Mus musculus]" 100.00 254 97.37 98.25 1.09e-75 GB AAA39997 "prion protein [Mus musculus]" 100.00 254 97.37 98.25 1.09e-75 GB AAC02804 "short incubation prion protein Prnpa [Mus musculus]" 100.00 254 97.37 98.25 1.09e-75 GB AAD19985 "prion protein [Meriones unguiculatus]" 100.00 253 97.37 98.25 8.96e-76 GB AAH06703 "Prion protein [Mus musculus]" 100.00 254 97.37 98.25 1.09e-75 GB AAL57230 "prion protein [Apodemus sylvaticus]" 100.00 254 97.37 98.25 1.25e-75 REF NP_001265185 "major prion protein precursor [Mus musculus]" 100.00 254 97.37 98.25 1.09e-75 REF NP_035300 "major prion protein precursor [Mus musculus]" 100.00 254 97.37 98.25 1.09e-75 SP P04925 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 100.00 254 97.37 98.25 1.09e-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 . pRSETA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium acetate' 10 mM '[U-100% 2H]' $entity 2 mM '[U-99% 13C; U-99% 15N]' 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_xwinnmr _Saveframe_category software _Name xwinnmr _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 DRX _Field_strength 500 _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 750 _Details . save_ save_spectrometer_4 _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_ save_3D_1H-15N_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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' '3D 1H-15N TOCSY' '3D HCCH-TOCSY' 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 1 120 2 SER HA H 4.606 0.020 1 2 120 2 SER CA C 57.887 0.3 1 3 120 2 SER CB C 63.952 0.3 1 4 120 2 SER N N 115.769 0.3 1 5 121 3 VAL HA H 4.197 0.020 1 6 121 3 VAL HB H 2.065 0.020 1 7 121 3 VAL CA C 62.210 0.3 1 8 121 3 VAL CB C 32.612 0.3 1 9 121 3 VAL CG1 C 20.460 0.3 1 10 121 3 VAL CG2 C 21.064 0.3 1 11 121 3 VAL N N 122.331 0.3 1 12 122 4 VAL HA H 4.108 0.020 1 13 122 4 VAL HB H 2.042 0.020 1 14 122 4 VAL CA C 62.401 0.3 1 15 122 4 VAL CB C 32.472 0.3 1 16 122 4 VAL CG1 C 20.765 0.3 1 17 122 4 VAL CG2 C 21.036 0.3 1 18 122 4 VAL N N 125.148 0.3 1 19 123 5 GLY CA C 45.217 0.3 1 20 123 5 GLY N N 113.631 0.3 1 21 124 6 GLY CA C 45.236 0.3 1 22 124 6 GLY N N 108.707 0.3 1 23 125 7 LEU HA H 4.385 0.020 1 24 125 7 LEU HB2 H 1.552 0.020 2 25 125 7 LEU HB3 H 1.639 0.020 2 26 125 7 LEU HG H 1.525 0.020 1 27 125 7 LEU CA C 54.742 0.3 1 28 125 7 LEU CB C 42.380 0.3 1 29 125 7 LEU CD1 C 24.580 0.3 1 30 125 7 LEU CD2 C 23.458 0.3 1 31 125 7 LEU CG C 26.775 0.3 1 32 125 7 LEU N N 121.823 0.3 1 33 126 8 GLY HA2 H 3.920 0.020 1 34 126 8 GLY CA C 46.188 0.3 1 35 126 8 GLY N N 110.013 0.3 1 36 127 9 GLY HA2 H 3.942 0.020 1 37 127 9 GLY CA C 45.008 0.3 1 38 127 9 GLY N N 109.176 0.3 1 39 128 10 TYR HA H 4.461 0.020 1 40 128 10 TYR HB2 H 2.942 0.020 2 41 128 10 TYR HB3 H 2.875 0.020 2 42 128 10 TYR CA C 58.008 0.3 1 43 128 10 TYR CB C 39.963 0.3 1 44 128 10 TYR CD1 C 132.062 0.3 1 45 128 10 TYR CE1 C 117.469 0.3 1 46 128 10 TYR N N 117.863 0.3 1 47 129 11 MET HA H 4.519 0.020 1 48 129 11 MET HB2 H 1.002 0.020 2 49 129 11 MET HB3 H 1.586 0.020 2 50 129 11 MET CA C 53.631 0.3 1 51 129 11 MET CB C 34.390 0.3 1 52 129 11 MET CE C 17.024 0.3 1 53 129 11 MET CG C 31.787 0.3 1 54 129 11 MET N N 121.387 0.3 1 55 130 12 LEU HA H 4.481 0.020 1 56 130 12 LEU HB2 H 0.971 0.020 2 57 130 12 LEU HB3 H 1.618 0.020 2 58 130 12 LEU HG H 1.392 0.020 1 59 130 12 LEU CA C 53.199 0.3 1 60 130 12 LEU CB C 43.387 0.3 1 61 130 12 LEU CD1 C 21.590 0.3 1 62 130 12 LEU CD2 C 25.747 0.3 1 63 130 12 LEU CG C 25.913 0.3 1 64 130 12 LEU N N 121.321 0.3 1 65 131 13 GLY HA2 H 4.433 0.020 1 66 131 13 GLY CA C 44.906 0.3 1 67 131 13 GLY N N 115.299 0.3 1 68 132 14 SER HA H 4.411 0.020 1 69 132 14 SER HB2 H 3.913 0.020 2 70 132 14 SER HB3 H 3.986 0.020 2 71 132 14 SER CA C 58.361 0.3 1 72 132 14 SER CB C 63.839 0.3 1 73 132 14 SER N N 113.734 0.3 1 74 133 15 ALA HA H 4.428 0.020 1 75 133 15 ALA CA C 52.749 0.3 1 76 133 15 ALA CB C 18.287 0.3 1 77 133 15 ALA N N 125.567 0.3 1 78 134 16 MET HA H 4.749 0.020 1 79 134 16 MET HB2 H 2.056 0.020 2 80 134 16 MET HB3 H 1.996 0.020 2 81 134 16 MET HG2 H 2.548 0.020 2 82 134 16 MET HG3 H 2.455 0.020 2 83 134 16 MET CA C 53.728 0.3 1 84 134 16 MET CB C 36.601 0.3 1 85 134 16 MET CE C 17.815 0.3 1 86 134 16 MET CG C 31.414 0.3 1 87 134 16 MET N N 121.611 0.3 1 88 135 17 SER HA H 4.340 0.020 1 89 135 17 SER HB2 H 3.842 0.020 2 90 135 17 SER HB3 H 3.755 0.020 2 91 135 17 SER CA C 58.572 0.3 1 92 135 17 SER CB C 62.939 0.3 1 93 135 17 SER N N 116.133 0.3 1 94 136 18 ARG HA H 4.386 0.020 1 95 136 18 ARG HB2 H 1.859 0.020 2 96 136 18 ARG HB3 H 1.796 0.020 2 97 136 18 ARG HD2 H 3.070 0.020 2 98 136 18 ARG HD3 H 2.957 0.020 2 99 136 18 ARG HE H 6.892 0.020 1 100 136 18 ARG CA C 54.726 0.3 1 101 136 18 ARG CB C 28.728 0.3 1 102 136 18 ARG CD C 43.781 0.3 1 103 136 18 ARG CG C 29.273 0.3 1 104 136 18 ARG N N 126.536 0.3 1 105 136 18 ARG NE N 85.634 0.3 1 106 137 19 PRO HA H 4.426 0.020 1 107 137 19 PRO HB2 H 1.778 0.020 2 108 137 19 PRO HB3 H 2.240 0.020 2 109 137 19 PRO HD2 H 3.662 0.020 2 110 137 19 PRO HD3 H 3.929 0.020 2 111 137 19 PRO HG2 H 2.036 0.020 2 112 137 19 PRO HG3 H 2.023 0.020 2 113 137 19 PRO CA C 62.131 0.3 1 114 137 19 PRO CB C 32.130 0.3 1 115 137 19 PRO CD C 50.460 0.3 1 116 137 19 PRO CG C 27.176 0.3 1 117 138 20 MET HA H 4.897 0.020 1 118 138 20 MET HB2 H 2.036 0.020 2 119 138 20 MET HB3 H 2.005 0.020 2 120 138 20 MET HG2 H 2.698 0.020 2 121 138 20 MET HG3 H 2.333 0.020 2 122 138 20 MET CA C 53.768 0.3 1 123 138 20 MET CB C 30.073 0.3 1 124 138 20 MET CE C 16.327 0.3 1 125 138 20 MET CG C 31.743 0.3 1 126 138 20 MET N N 122.150 0.3 1 127 139 21 ILE HA H 3.826 0.020 1 128 139 21 ILE HB H 0.782 0.020 1 129 139 21 ILE HG12 H 0.896 0.020 2 130 139 21 ILE HG13 H 0.737 0.020 2 131 139 21 ILE CA C 59.315 0.3 1 132 139 21 ILE CB C 38.786 0.3 1 133 139 21 ILE CD1 C 12.378 0.3 1 134 139 21 ILE CG1 C 26.587 0.3 1 135 139 21 ILE CG2 C 17.044 0.3 1 136 139 21 ILE N N 124.728 0.3 1 137 140 22 HIS HA H 4.924 0.020 1 138 140 22 HIS HB2 H 3.309 0.020 2 139 140 22 HIS HB3 H 2.953 0.020 2 140 140 22 HIS HD2 H 7.231 0.020 1 141 140 22 HIS HE1 H 8.589 0.020 1 142 140 22 HIS CA C 53.901 0.3 1 143 140 22 HIS CB C 29.364 0.3 1 144 140 22 HIS CD2 C 119.056 0.3 1 145 140 22 HIS CE1 C 135.536 0.3 1 146 140 22 HIS N N 121.936 0.3 1 147 141 23 PHE HA H 4.266 0.020 1 148 141 23 PHE HB2 H 2.790 0.020 2 149 141 23 PHE HB3 H 3.299 0.020 2 150 141 23 PHE HZ H 6.756 0.020 1 151 141 23 PHE CA C 59.487 0.3 1 152 141 23 PHE CB C 40.745 0.3 1 153 141 23 PHE CD1 C 131.175 0.3 1 154 141 23 PHE CE1 C 130.229 0.3 1 155 141 23 PHE CZ C 128.218 0.3 1 156 141 23 PHE N N 124.674 0.3 1 157 142 24 GLY HA2 H 4.134 0.020 1 158 142 24 GLY CA C 45.597 0.3 1 159 142 24 GLY N N 109.150 0.3 1 160 143 25 ASN HA H 4.897 0.020 1 161 143 25 ASN HB2 H 2.731 0.020 2 162 143 25 ASN HB3 H 2.708 0.020 2 163 143 25 ASN HD21 H 7.616 0.020 1 164 143 25 ASN HD22 H 7.459 0.020 1 165 143 25 ASN CA C 52.409 0.3 1 166 143 25 ASN CB C 41.436 0.3 1 167 143 25 ASN N N 114.430 0.3 1 168 143 25 ASN ND2 N 115.926 0.3 1 169 144 26 ASP HA H 4.446 0.020 1 170 144 26 ASP CA C 57.699 0.3 1 171 144 26 ASP CB C 40.869 0.3 1 172 144 26 ASP N N 123.483 0.3 1 173 145 27 TRP HA H 4.242 0.020 1 174 145 27 TRP HD1 H 7.345 0.020 1 175 145 27 TRP HE1 H 10.259 0.020 1 176 145 27 TRP HE3 H 7.359 0.020 1 177 145 27 TRP HH2 H 6.900 0.020 1 178 145 27 TRP HZ2 H 7.437 0.020 1 179 145 27 TRP HZ3 H 6.724 0.020 1 180 145 27 TRP CA C 61.694 0.3 1 181 145 27 TRP CB C 28.221 0.3 1 182 145 27 TRP CD1 C 126.745 0.3 1 183 145 27 TRP CE3 C 119.699 0.3 1 184 145 27 TRP CH2 C 124.052 0.3 1 185 145 27 TRP CZ2 C 113.836 0.3 1 186 145 27 TRP CZ3 C 120.222 0.3 1 187 145 27 TRP N N 120.620 0.3 1 188 145 27 TRP NE1 N 129.616 0.3 1 189 146 28 GLU HA H 3.459 0.020 1 190 146 28 GLU HB2 H 1.848 0.020 2 191 146 28 GLU HB3 H 1.276 0.020 2 192 146 28 GLU HG2 H 2.147 0.020 2 193 146 28 GLU HG3 H 1.598 0.020 2 194 146 28 GLU CA C 59.701 0.3 1 195 146 28 GLU CB C 29.333 0.3 1 196 146 28 GLU CG C 36.929 0.3 1 197 146 28 GLU N N 120.405 0.3 1 198 147 29 ASP HA H 4.683 0.020 1 199 147 29 ASP HB2 H 2.846 0.020 2 200 147 29 ASP HB3 H 2.939 0.020 2 201 147 29 ASP CA C 58.445 0.3 1 202 147 29 ASP CB C 40.281 0.3 1 203 147 29 ASP N N 119.127 0.3 1 204 148 30 ARG HA H 3.981 0.020 1 205 148 30 ARG HD2 H 3.231 0.020 2 206 148 30 ARG HD3 H 3.218 0.020 2 207 148 30 ARG HE H 7.468 0.020 1 208 148 30 ARG HG2 H 1.729 0.020 2 209 148 30 ARG HG3 H 1.490 0.020 2 210 148 30 ARG CA C 59.427 0.3 1 211 148 30 ARG CB C 29.718 0.3 1 212 148 30 ARG CD C 43.339 0.3 1 213 148 30 ARG CG C 27.609 0.3 1 214 148 30 ARG N N 120.067 0.3 1 215 148 30 ARG NE N 85.201 0.3 1 216 149 31 TYR HA H 3.745 0.020 1 217 149 31 TYR HB2 H 2.681 0.020 2 218 149 31 TYR HB3 H 2.312 0.020 2 219 149 31 TYR CA C 62.016 0.3 1 220 149 31 TYR CB C 38.056 0.3 1 221 149 31 TYR CD1 C 132.775 0.3 1 222 149 31 TYR CE1 C 117.096 0.3 1 223 149 31 TYR N N 120.963 0.3 1 224 150 32 TYR HA H 4.089 0.020 1 225 150 32 TYR HB2 H 3.562 0.020 2 226 150 32 TYR HB3 H 3.217 0.020 2 227 150 32 TYR CA C 63.001 0.3 1 228 150 32 TYR CB C 38.287 0.3 1 229 150 32 TYR CD1 C 132.697 0.3 1 230 150 32 TYR CE1 C 117.576 0.3 1 231 150 32 TYR N N 120.436 0.3 1 232 151 33 ARG HA H 3.868 0.020 1 233 151 33 ARG HB2 H 1.967 0.020 2 234 151 33 ARG HB3 H 2.037 0.020 2 235 151 33 ARG HD2 H 3.366 0.020 2 236 151 33 ARG HD3 H 3.285 0.020 2 237 151 33 ARG HE H 7.500 0.020 1 238 151 33 ARG HG2 H 2.002 0.020 2 239 151 33 ARG HG3 H 1.758 0.020 2 240 151 33 ARG CA C 59.883 0.3 1 241 151 33 ARG CB C 29.684 0.3 1 242 151 33 ARG CD C 43.439 0.3 1 243 151 33 ARG CG C 28.256 0.3 1 244 151 33 ARG N N 117.307 0.3 1 245 151 33 ARG NE N 84.822 0.3 1 246 152 34 GLU HA H 4.109 0.020 1 247 152 34 GLU HG2 H 2.465 0.020 2 248 152 34 GLU HG3 H 2.265 0.020 2 249 152 34 GLU CA C 57.557 0.3 1 250 152 34 GLU CB C 29.616 0.3 1 251 152 34 GLU CG C 35.601 0.3 1 252 152 34 GLU N N 115.390 0.3 1 253 153 35 ASN HA H 4.513 0.020 1 254 153 35 ASN HB2 H 2.239 0.020 2 255 153 35 ASN HB3 H 2.142 0.020 2 256 153 35 ASN HD21 H 6.760 0.020 1 257 153 35 ASN HD22 H 6.545 0.020 1 258 153 35 ASN CA C 54.717 0.3 1 259 153 35 ASN CB C 41.089 0.3 1 260 153 35 ASN N N 115.333 0.3 1 261 153 35 ASN ND2 N 116.799 0.3 1 262 154 36 MET HA H 3.473 0.020 1 263 154 36 MET HB2 H 1.588 0.020 2 264 154 36 MET HB3 H 1.253 0.020 2 265 154 36 MET HG2 H 2.287 0.020 2 266 154 36 MET HG3 H 1.785 0.020 2 267 154 36 MET CA C 59.017 0.3 1 268 154 36 MET CB C 30.404 0.3 1 269 154 36 MET CE C 17.188 0.3 1 270 154 36 MET CG C 29.991 0.3 1 271 154 36 MET N N 118.303 0.3 1 272 155 37 TYR HA H 4.141 0.020 1 273 155 37 TYR HB2 H 2.942 0.020 2 274 155 37 TYR HB3 H 3.014 0.020 2 275 155 37 TYR CA C 59.205 0.3 1 276 155 37 TYR CB C 36.067 0.3 1 277 155 37 TYR CD1 C 132.423 0.3 1 278 155 37 TYR CE1 C 117.679 0.3 1 279 155 37 TYR N N 116.311 0.3 1 280 156 38 ARG HA H 4.034 0.020 1 281 156 38 ARG HB2 H 1.328 0.020 2 282 156 38 ARG HB3 H 1.977 0.020 2 283 156 38 ARG HD2 H 3.204 0.020 2 284 156 38 ARG HD3 H 3.083 0.020 2 285 156 38 ARG HE H 7.300 0.020 1 286 156 38 ARG HG2 H 1.267 0.020 2 287 156 38 ARG HG3 H 0.634 0.020 2 288 156 38 ARG HH21 H 6.439 0.020 1 289 156 38 ARG CA C 56.221 0.3 1 290 156 38 ARG CB C 30.557 0.3 1 291 156 38 ARG CD C 44.311 0.3 1 292 156 38 ARG CG C 27.230 0.3 1 293 156 38 ARG N N 118.556 0.3 1 294 156 38 ARG NE N 84.645 0.3 1 295 157 39 TYR HA H 5.045 0.020 1 296 157 39 TYR CA C 52.744 0.3 1 297 157 39 TYR CB C 34.988 0.3 1 298 157 39 TYR CD1 C 130.499 0.3 1 299 157 39 TYR CE1 C 116.551 0.3 1 300 157 39 TYR N N 120.534 0.3 1 301 158 40 PRO HA H 4.470 0.020 1 302 158 40 PRO HB2 H 1.733 0.020 2 303 158 40 PRO HB3 H 2.450 0.020 2 304 158 40 PRO HD2 H 3.191 0.020 2 305 158 40 PRO HD3 H 3.428 0.020 2 306 158 40 PRO HG2 H 1.590 0.020 2 307 158 40 PRO HG3 H 1.375 0.020 2 308 158 40 PRO CA C 63.379 0.3 1 309 158 40 PRO CB C 32.295 0.3 1 310 158 40 PRO CD C 49.973 0.3 1 311 158 40 PRO CG C 27.151 0.3 1 312 159 41 ASN HA H 4.737 0.020 1 313 159 41 ASN HB2 H 3.753 0.020 2 314 159 41 ASN HB3 H 2.393 0.020 2 315 159 41 ASN HD21 H 7.536 0.020 1 316 159 41 ASN HD22 H 6.838 0.020 1 317 159 41 ASN CA C 51.560 0.3 1 318 159 41 ASN CB C 37.974 0.3 1 319 159 41 ASN N N 115.653 0.3 1 320 159 41 ASN ND2 N 109.080 0.3 1 321 160 42 GLN HA H 4.603 0.020 1 322 160 42 GLN HB2 H 1.984 0.020 2 323 160 42 GLN HB3 H 1.709 0.020 2 324 160 42 GLN HE21 H 7.956 0.020 1 325 160 42 GLN HE22 H 7.055 0.020 1 326 160 42 GLN HG2 H 2.168 0.020 2 327 160 42 GLN HG3 H 2.045 0.020 2 328 160 42 GLN CA C 54.006 0.3 1 329 160 42 GLN CB C 33.624 0.3 1 330 160 42 GLN CG C 34.089 0.3 1 331 160 42 GLN N N 113.795 0.3 1 332 160 42 GLN NE2 N 112.956 0.3 1 333 161 43 VAL HA H 4.933 0.020 1 334 161 43 VAL HB H 2.613 0.020 1 335 161 43 VAL CA C 58.576 0.3 1 336 161 43 VAL CB C 33.904 0.3 1 337 161 43 VAL CG1 C 23.640 0.3 1 338 161 43 VAL CG2 C 18.036 0.3 1 339 161 43 VAL N N 113.011 0.3 1 340 162 44 TYR HA H 5.579 0.020 1 341 162 44 TYR HB2 H 2.617 0.020 2 342 162 44 TYR HB3 H 2.569 0.020 2 343 162 44 TYR CA C 56.797 0.3 1 344 162 44 TYR CB C 41.855 0.3 1 345 162 44 TYR CD1 C 132.181 0.3 1 346 162 44 TYR CE1 C 117.648 0.3 1 347 162 44 TYR N N 121.323 0.3 1 348 163 45 TYR HA H 4.906 0.020 1 349 163 45 TYR HB2 H 2.709 0.020 2 350 163 45 TYR HB3 H 2.688 0.020 2 351 163 45 TYR CA C 55.851 0.3 1 352 163 45 TYR CB C 40.076 0.3 1 353 163 45 TYR CD1 C 133.276 0.3 1 354 163 45 TYR CE1 C 116.966 0.3 1 355 163 45 TYR N N 111.081 0.3 1 356 164 46 ARG HA H 4.657 0.020 1 357 164 46 ARG HB2 H 1.684 0.020 2 358 164 46 ARG HB3 H 1.866 0.020 2 359 164 46 ARG HD2 H 2.821 0.020 2 360 164 46 ARG HD3 H 2.854 0.020 2 361 164 46 ARG HE H 6.574 0.020 1 362 164 46 ARG HG2 H 1.128 0.020 2 363 164 46 ARG HG3 H 0.983 0.020 2 364 164 46 ARG CA C 53.507 0.3 1 365 164 46 ARG CB C 29.683 0.3 1 366 164 46 ARG CD C 43.523 0.3 1 367 164 46 ARG CG C 27.799 0.3 1 368 164 46 ARG N N 120.432 0.3 1 369 164 46 ARG NE N 84.612 0.3 1 370 165 47 PRO HA H 4.609 0.020 1 371 165 47 PRO HB2 H 2.006 0.020 2 372 165 47 PRO HB3 H 2.506 0.020 2 373 165 47 PRO HD2 H 3.686 0.020 2 374 165 47 PRO HD3 H 3.450 0.020 2 375 165 47 PRO HG2 H 2.163 0.020 2 376 165 47 PRO HG3 H 2.027 0.020 2 377 165 47 PRO CA C 63.446 0.3 1 378 165 47 PRO CB C 32.471 0.3 1 379 165 47 PRO CD C 50.061 0.3 1 380 165 47 PRO CG C 28.207 0.3 1 381 166 48 VAL HA H 4.312 0.020 1 382 166 48 VAL HB H 2.108 0.020 1 383 166 48 VAL CA C 65.543 0.3 1 384 166 48 VAL CB C 32.178 0.3 1 385 166 48 VAL CG1 C 21.495 0.3 1 386 166 48 VAL CG2 C 21.454 0.3 1 387 166 48 VAL N N 118.896 0.3 1 388 167 49 ASP HA H 4.646 0.020 1 389 167 49 ASP HB2 H 2.997 0.020 2 390 167 49 ASP HB3 H 2.763 0.020 2 391 167 49 ASP CA C 54.291 0.3 1 392 167 49 ASP CB C 39.272 0.3 1 393 167 49 ASP N N 117.759 0.3 1 394 168 50 GLN HA H 4.125 0.020 1 395 168 50 GLN HB2 H 1.934 0.020 2 396 168 50 GLN HB3 H 1.917 0.020 2 397 168 50 GLN HE21 H 7.640 0.020 1 398 168 50 GLN HE22 H 6.862 0.020 1 399 168 50 GLN CA C 55.752 0.3 1 400 168 50 GLN CB C 27.319 0.3 1 401 168 50 GLN CG C 32.102 0.3 1 402 168 50 GLN N N 117.726 0.3 1 403 168 50 GLN NE2 N 112.807 0.3 1 404 169 51 TYR HA H 4.963 0.020 1 405 169 51 TYR HB2 H 3.331 0.020 2 406 169 51 TYR HB3 H 3.085 0.020 2 407 169 51 TYR CA C 56.760 0.3 1 408 169 51 TYR CB C 42.106 0.3 1 409 169 51 TYR CD1 C 133.227 0.3 1 410 169 51 TYR CE1 C 118.102 0.3 1 411 169 51 TYR N N 117.160 0.3 1 412 170 52 SER HA H 4.551 0.020 1 413 170 52 SER HB2 H 4.061 0.020 2 414 170 52 SER HB3 H 3.978 0.020 2 415 170 52 SER CA C 58.936 0.3 1 416 170 52 SER CB C 63.844 0.3 1 417 170 52 SER N N 115.216 0.3 1 418 171 53 ASN HA H 4.768 0.020 1 419 171 53 ASN HB2 H 3.211 0.020 2 420 171 53 ASN HB3 H 3.033 0.020 2 421 171 53 ASN HD21 H 7.528 0.020 1 422 171 53 ASN HD22 H 6.715 0.020 1 423 171 53 ASN CA C 52.258 0.3 1 424 171 53 ASN CB C 39.876 0.3 1 425 171 53 ASN N N 114.395 0.3 1 426 171 53 ASN ND2 N 113.324 0.3 1 427 172 54 GLN HA H 2.880 0.020 1 428 172 54 GLN HB2 H 1.696 0.020 2 429 172 54 GLN HB3 H 1.571 0.020 2 430 172 54 GLN HE21 H 7.234 0.020 1 431 172 54 GLN HE22 H 6.920 0.020 1 432 172 54 GLN HG2 H 1.806 0.020 2 433 172 54 GLN HG3 H 1.107 0.020 2 434 172 54 GLN CA C 58.758 0.3 1 435 172 54 GLN CB C 29.196 0.3 1 436 172 54 GLN CG C 33.366 0.3 1 437 172 54 GLN N N 119.707 0.3 1 438 172 54 GLN NE2 N 111.793 0.3 1 439 173 55 ASN HA H 4.225 0.020 1 440 173 55 ASN HB2 H 2.646 0.020 2 441 173 55 ASN HB3 H 2.743 0.020 2 442 173 55 ASN HD21 H 7.629 0.020 1 443 173 55 ASN HD22 H 7.002 0.020 1 444 173 55 ASN CA C 56.329 0.3 1 445 173 55 ASN CB C 37.621 0.3 1 446 173 55 ASN N N 117.697 0.3 1 447 173 55 ASN ND2 N 112.841 0.3 1 448 174 56 ASN HA H 4.588 0.020 1 449 174 56 ASN HB2 H 3.220 0.020 2 450 174 56 ASN HB3 H 2.943 0.020 2 451 174 56 ASN HD21 H 7.681 0.020 1 452 174 56 ASN HD22 H 7.243 0.020 1 453 174 56 ASN CA C 55.871 0.3 1 454 174 56 ASN CB C 37.967 0.3 1 455 174 56 ASN N N 118.537 0.3 1 456 174 56 ASN ND2 N 111.937 0.3 1 457 175 57 PHE HB2 H 3.156 0.020 2 458 175 57 PHE HB3 H 2.571 0.020 2 459 175 57 PHE HZ H 6.721 0.020 1 460 175 57 PHE CA C 60.905 0.3 1 461 175 57 PHE CB C 38.587 0.3 1 462 175 57 PHE CD1 C 132.173 0.3 1 463 175 57 PHE CE1 C 131.433 0.3 1 464 175 57 PHE CZ C 128.325 0.3 1 465 175 57 PHE N N 122.022 0.3 1 466 176 58 VAL HA H 3.425 0.020 1 467 176 58 VAL HB H 2.209 0.020 1 468 176 58 VAL CA C 67.502 0.3 1 469 176 58 VAL CB C 31.866 0.3 1 470 176 58 VAL CG1 C 21.584 0.3 1 471 176 58 VAL CG2 C 24.384 0.3 1 472 176 58 VAL N N 120.366 0.3 1 473 177 59 HIS HA H 4.316 0.020 1 474 177 59 HIS HB2 H 3.390 0.020 2 475 177 59 HIS HB3 H 3.350 0.020 2 476 177 59 HIS HD2 H 7.397 0.020 1 477 177 59 HIS HE1 H 8.643 0.020 1 478 177 59 HIS CA C 59.103 0.3 1 479 177 59 HIS CB C 28.263 0.3 1 480 177 59 HIS CD2 C 119.341 0.3 1 481 177 59 HIS CE1 C 135.595 0.3 1 482 177 59 HIS N N 116.413 0.3 1 483 178 60 ASP HA H 4.613 0.020 1 484 178 60 ASP HB2 H 2.997 0.020 2 485 178 60 ASP HB3 H 2.962 0.020 2 486 178 60 ASP CA C 57.085 0.3 1 487 178 60 ASP CB C 41.119 0.3 1 488 178 60 ASP N N 118.485 0.3 1 489 179 61 CYS HA H 4.696 0.020 1 490 179 61 CYS HB2 H 3.228 0.020 2 491 179 61 CYS HB3 H 2.853 0.020 2 492 179 61 CYS CA C 58.583 0.3 1 493 179 61 CYS CB C 40.515 0.3 1 494 179 61 CYS N N 119.432 0.3 1 495 180 62 VAL HA H 3.660 0.020 1 496 180 62 VAL HB H 2.167 0.020 1 497 180 62 VAL CA C 66.013 0.3 1 498 180 62 VAL CB C 31.820 0.3 1 499 180 62 VAL CG1 C 21.664 0.3 1 500 180 62 VAL CG2 C 23.593 0.3 1 501 180 62 VAL N N 124.587 0.3 1 502 181 63 ASN HA H 4.334 0.020 1 503 181 63 ASN HB2 H 2.903 0.020 2 504 181 63 ASN HB3 H 2.818 0.020 2 505 181 63 ASN HD21 H 7.714 0.020 1 506 181 63 ASN HD22 H 6.827 0.020 1 507 181 63 ASN CA C 56.463 0.3 1 508 181 63 ASN CB C 38.652 0.3 1 509 181 63 ASN N N 116.614 0.3 1 510 181 63 ASN ND2 N 112.043 0.3 1 511 182 64 ILE HA H 3.741 0.020 1 512 182 64 ILE HB H 1.599 0.020 1 513 182 64 ILE CA C 62.166 0.3 1 514 182 64 ILE CB C 36.407 0.3 1 515 182 64 ILE CD1 C 11.153 0.3 1 516 182 64 ILE CG1 C 27.374 0.3 1 517 182 64 ILE CG2 C 18.203 0.3 1 518 182 64 ILE N N 119.022 0.3 1 519 183 65 THR HA H 4.072 0.020 1 520 183 65 THR HB H 4.507 0.020 1 521 183 65 THR HG1 H 6.411 0.020 1 522 183 65 THR CA C 68.514 0.3 1 523 183 65 THR CB C 68.164 0.3 1 524 183 65 THR CG2 C 22.207 0.3 1 525 183 65 THR N N 118.206 0.3 1 526 184 66 ILE HA H 3.730 0.020 1 527 184 66 ILE HB H 2.115 0.020 1 528 184 66 ILE HG12 H 1.843 0.020 2 529 184 66 ILE HG13 H 1.249 0.020 2 530 184 66 ILE CA C 65.594 0.3 1 531 184 66 ILE CB C 36.610 0.3 1 532 184 66 ILE CD1 C 12.790 0.3 1 533 184 66 ILE CG1 C 29.631 0.3 1 534 184 66 ILE CG2 C 16.702 0.3 1 535 184 66 ILE N N 120.973 0.3 1 536 185 67 LYS HA H 4.073 0.020 1 537 185 67 LYS HG2 H 1.500 0.020 2 538 185 67 LYS HG3 H 1.399 0.020 2 539 185 67 LYS CA C 59.831 0.3 1 540 185 67 LYS CB C 32.218 0.3 1 541 185 67 LYS CD C 29.067 0.3 1 542 185 67 LYS CE C 41.868 0.3 1 543 185 67 LYS CG C 24.951 0.3 1 544 185 67 LYS N N 122.799 0.3 1 545 186 68 GLN HA H 4.047 0.020 1 546 186 68 GLN HB2 H 1.985 0.020 2 547 186 68 GLN HB3 H 1.881 0.020 2 548 186 68 GLN HE21 H 6.789 0.020 1 549 186 68 GLN HE22 H 6.758 0.020 1 550 186 68 GLN HG2 H 2.100 0.020 2 551 186 68 GLN HG3 H 1.531 0.020 2 552 186 68 GLN CA C 57.374 0.3 1 553 186 68 GLN CB C 28.070 0.3 1 554 186 68 GLN CG C 33.295 0.3 1 555 186 68 GLN N N 116.288 0.3 1 556 186 68 GLN NE2 N 110.256 0.3 1 557 187 69 HIS HA H 4.619 0.020 1 558 187 69 HIS HB2 H 3.367 0.020 2 559 187 69 HIS HB3 H 3.336 0.020 2 560 187 69 HIS HD2 H 7.318 0.020 1 561 187 69 HIS HE1 H 8.247 0.020 1 562 187 69 HIS CA C 58.342 0.3 1 563 187 69 HIS CB C 29.819 0.3 1 564 187 69 HIS CD2 C 118.357 0.3 1 565 187 69 HIS CE1 C 137.190 0.3 1 566 187 69 HIS N N 117.624 0.3 1 567 188 70 THR HA H 4.250 0.020 1 568 188 70 THR HB H 4.429 0.020 1 569 188 70 THR CA C 64.652 0.3 1 570 188 70 THR CB C 69.198 0.3 1 571 188 70 THR CG2 C 21.458 0.3 1 572 188 70 THR N N 114.002 0.3 1 573 189 71 VAL HA H 4.044 0.020 1 574 189 71 VAL HB H 2.221 0.020 1 575 189 71 VAL CA C 64.493 0.3 1 576 189 71 VAL CB C 31.981 0.3 1 577 189 71 VAL CG1 C 20.988 0.3 1 578 189 71 VAL CG2 C 21.335 0.3 1 579 189 71 VAL N N 121.999 0.3 1 580 190 72 THR HA H 4.282 0.020 1 581 190 72 THR HB H 4.293 0.020 1 582 190 72 THR CA C 63.561 0.3 1 583 190 72 THR CB C 69.269 0.3 1 584 190 72 THR CG2 C 21.618 0.3 1 585 190 72 THR N N 115.344 0.3 1 586 191 73 THR HA H 4.272 0.020 1 587 191 73 THR HB H 4.206 0.020 1 588 191 73 THR CA C 63.407 0.3 1 589 191 73 THR CB C 69.108 0.3 1 590 191 73 THR CG2 C 21.367 0.3 1 591 191 73 THR N N 115.087 0.3 1 592 192 74 THR HA H 4.402 0.020 1 593 192 74 THR HB H 4.382 0.020 1 594 192 74 THR CA C 63.578 0.3 1 595 192 74 THR CB C 69.249 0.3 1 596 192 74 THR CG2 C 21.501 0.3 1 597 192 74 THR N N 116.407 0.3 1 598 193 75 THR HA H 4.251 0.020 1 599 193 75 THR HB H 4.268 0.020 1 600 193 75 THR CA C 63.511 0.3 1 601 193 75 THR CB C 69.214 0.3 1 602 193 75 THR CG2 C 21.552 0.3 1 603 193 75 THR N N 116.247 0.3 1 604 194 76 LYS HA H 4.346 0.020 1 605 194 76 LYS HB2 H 1.946 0.020 2 606 194 76 LYS HB3 H 1.829 0.020 2 607 194 76 LYS HG2 H 1.511 0.020 2 608 194 76 LYS HG3 H 1.453 0.020 2 609 194 76 LYS CA C 56.486 0.3 1 610 194 76 LYS CB C 32.439 0.3 1 611 194 76 LYS CD C 28.965 0.3 1 612 194 76 LYS CE C 41.919 0.3 1 613 194 76 LYS CG C 24.728 0.3 1 614 194 76 LYS N N 121.534 0.3 1 615 195 77 GLY HA2 H 4.061 0.020 1 616 195 77 GLY CA C 45.377 0.3 1 617 195 77 GLY N N 109.312 0.3 1 618 196 78 GLU HA H 4.270 0.020 1 619 196 78 GLU HG2 H 2.147 0.020 2 620 196 78 GLU HG3 H 2.160 0.020 2 621 196 78 GLU CA C 55.623 0.3 1 622 196 78 GLU CB C 30.272 0.3 1 623 196 78 GLU CG C 35.238 0.3 1 624 196 78 GLU N N 120.028 0.3 1 625 197 79 ASN HA H 4.677 0.020 1 626 197 79 ASN HB2 H 2.739 0.020 2 627 197 79 ASN HB3 H 2.655 0.020 2 628 197 79 ASN HD21 H 7.601 0.020 1 629 197 79 ASN HD22 H 6.890 0.020 1 630 197 79 ASN CA C 52.798 0.3 1 631 197 79 ASN CB C 39.705 0.3 1 632 197 79 ASN N N 120.001 0.3 1 633 197 79 ASN ND2 N 113.171 0.3 1 634 198 80 PHE HA H 5.267 0.020 1 635 198 80 PHE HB2 H 3.022 0.020 2 636 198 80 PHE HB3 H 3.200 0.020 2 637 198 80 PHE CA C 56.655 0.3 1 638 198 80 PHE CB C 39.829 0.3 1 639 198 80 PHE CD1 C 130.637 0.3 1 640 198 80 PHE CE1 C 129.089 0.3 1 641 198 80 PHE N N 122.070 0.3 1 642 199 81 THR HA H 4.638 0.020 1 643 199 81 THR HB H 4.833 0.020 1 644 199 81 THR CA C 60.497 0.3 1 645 199 81 THR CB C 72.640 0.3 1 646 199 81 THR CG2 C 21.602 0.3 1 647 199 81 THR N N 116.376 0.3 1 648 200 82 GLU HA H 4.113 0.020 1 649 200 82 GLU HB2 H 2.157 0.020 2 650 200 82 GLU HB3 H 2.096 0.020 2 651 200 82 GLU HG2 H 2.457 0.020 2 652 200 82 GLU HG3 H 2.401 0.020 2 653 200 82 GLU CA C 59.587 0.3 1 654 200 82 GLU CB C 28.535 0.3 1 655 200 82 GLU CG C 35.288 0.3 1 656 200 82 GLU N N 119.937 0.3 1 657 201 83 THR HA H 3.829 0.020 1 658 201 83 THR HB H 3.785 0.020 1 659 201 83 THR CA C 66.748 0.3 1 660 201 83 THR CB C 68.601 0.3 1 661 201 83 THR CG2 C 21.307 0.3 1 662 201 83 THR N N 116.483 0.3 1 663 202 84 ASP HA H 4.576 0.020 1 664 202 84 ASP HB2 H 3.274 0.020 2 665 202 84 ASP HB3 H 2.519 0.020 2 666 202 84 ASP CA C 57.841 0.3 1 667 202 84 ASP CB C 41.264 0.3 1 668 202 84 ASP N N 120.212 0.3 1 669 203 85 VAL HA H 3.364 0.020 1 670 203 85 VAL HB H 2.157 0.020 1 671 203 85 VAL CA C 67.578 0.3 1 672 203 85 VAL CB C 31.476 0.3 1 673 203 85 VAL CG1 C 22.721 0.3 1 674 203 85 VAL CG2 C 21.038 0.3 1 675 203 85 VAL N N 119.823 0.3 1 676 204 86 LYS HA H 4.082 0.020 1 677 204 86 LYS HG2 H 1.638 0.020 2 678 204 86 LYS HG3 H 1.445 0.020 2 679 204 86 LYS CA C 59.216 0.3 1 680 204 86 LYS CB C 32.041 0.3 1 681 204 86 LYS CD C 29.090 0.3 1 682 204 86 LYS CE C 41.874 0.3 1 683 204 86 LYS CG C 25.082 0.3 1 684 204 86 LYS N N 119.302 0.3 1 685 205 87 MET HA H 4.157 0.020 1 686 205 87 MET HB2 H 2.338 0.020 2 687 205 87 MET HB3 H 1.923 0.020 2 688 205 87 MET HG2 H 3.033 0.020 2 689 205 87 MET HG3 H 2.356 0.020 2 690 205 87 MET CA C 59.665 0.3 1 691 205 87 MET CB C 32.770 0.3 1 692 205 87 MET CE C 18.063 0.3 1 693 205 87 MET CG C 33.862 0.3 1 694 205 87 MET N N 118.773 0.3 1 695 206 88 MET HA H 3.557 0.020 1 696 206 88 MET HB2 H 1.929 0.020 2 697 206 88 MET HB3 H 1.787 0.020 2 698 206 88 MET HG2 H 2.014 0.020 2 699 206 88 MET HG3 H 1.850 0.020 2 700 206 88 MET CA C 59.489 0.3 1 701 206 88 MET CB C 33.139 0.3 1 702 206 88 MET CE C 16.151 0.3 1 703 206 88 MET CG C 32.420 0.3 1 704 206 88 MET N N 118.375 0.3 1 705 207 89 GLU HA H 3.694 0.020 1 706 207 89 GLU HB2 H 2.231 0.020 2 707 207 89 GLU HB3 H 2.088 0.020 2 708 207 89 GLU HG2 H 2.576 0.020 2 709 207 89 GLU HG3 H 2.242 0.020 2 710 207 89 GLU CA C 60.373 0.3 1 711 207 89 GLU CB C 27.957 0.3 1 712 207 89 GLU CG C 34.919 0.3 1 713 207 89 GLU N N 118.296 0.3 1 714 208 90 ARG HA H 4.172 0.020 1 715 208 90 ARG HB2 H 1.917 0.020 2 716 208 90 ARG HB3 H 2.085 0.020 2 717 208 90 ARG HD2 H 3.224 0.020 2 718 208 90 ARG HD3 H 3.139 0.020 2 719 208 90 ARG HE H 7.320 0.020 1 720 208 90 ARG HG2 H 1.804 0.020 2 721 208 90 ARG HG3 H 1.753 0.020 2 722 208 90 ARG CA C 58.239 0.3 1 723 208 90 ARG CB C 29.695 0.3 1 724 208 90 ARG CD C 42.350 0.3 1 725 208 90 ARG CG C 26.748 0.3 1 726 208 90 ARG N N 117.080 0.3 1 727 208 90 ARG NE N 83.207 0.3 1 728 209 91 VAL HA H 3.732 0.020 1 729 209 91 VAL HB H 2.316 0.020 1 730 209 91 VAL CA C 65.940 0.3 1 731 209 91 VAL CB C 32.239 0.3 1 732 209 91 VAL CG1 C 24.071 0.3 1 733 209 91 VAL CG2 C 20.948 0.3 1 734 209 91 VAL N N 119.435 0.3 1 735 210 92 VAL HA H 3.634 0.020 1 736 210 92 VAL HB H 2.258 0.020 1 737 210 92 VAL CA C 66.443 0.3 1 738 210 92 VAL CB C 31.137 0.3 1 739 210 92 VAL CG1 C 24.540 0.3 1 740 210 92 VAL CG2 C 24.034 0.3 1 741 210 92 VAL N N 120.580 0.3 1 742 211 93 GLU HA H 3.599 0.020 1 743 211 93 GLU HB2 H 2.235 0.020 2 744 211 93 GLU HB3 H 2.134 0.020 2 745 211 93 GLU HG2 H 2.250 0.020 2 746 211 93 GLU HG3 H 2.183 0.020 2 747 211 93 GLU CA C 60.924 0.3 1 748 211 93 GLU CB C 28.462 0.3 1 749 211 93 GLU CG C 35.230 0.3 1 750 211 93 GLU N N 120.434 0.3 1 751 212 94 GLN HA H 3.994 0.020 1 752 212 94 GLN HB2 H 2.156 0.020 2 753 212 94 GLN HB3 H 2.152 0.020 2 754 212 94 GLN HE21 H 7.446 0.020 1 755 212 94 GLN HE22 H 6.827 0.020 1 756 212 94 GLN HG2 H 2.475 0.020 2 757 212 94 GLN HG3 H 2.405 0.020 2 758 212 94 GLN CA C 59.011 0.3 1 759 212 94 GLN CB C 27.822 0.3 1 760 212 94 GLN CG C 33.809 0.3 1 761 212 94 GLN N N 115.631 0.3 1 762 212 94 GLN NE2 N 111.830 0.3 1 763 213 95 MET HA H 4.151 0.020 1 764 213 95 MET HB2 H 2.236 0.020 2 765 213 95 MET HB3 H 2.064 0.020 2 766 213 95 MET HG2 H 2.857 0.020 2 767 213 95 MET HG3 H 2.502 0.020 2 768 213 95 MET CA C 59.840 0.3 1 769 213 95 MET CB C 34.203 0.3 1 770 213 95 MET CE C 16.840 0.3 1 771 213 95 MET CG C 32.484 0.3 1 772 213 95 MET N N 119.449 0.3 1 773 214 96 CYS HA H 4.421 0.020 1 774 214 96 CYS HB2 H 3.543 0.020 2 775 214 96 CYS HB3 H 2.871 0.020 2 776 214 96 CYS CA C 59.929 0.3 1 777 214 96 CYS CB C 41.679 0.3 1 778 214 96 CYS N N 119.301 0.3 1 779 215 97 VAL HA H 3.465 0.020 1 780 215 97 VAL HB H 2.308 0.020 1 781 215 97 VAL CA C 67.599 0.3 1 782 215 97 VAL CB C 31.380 0.3 1 783 215 97 VAL CG1 C 23.723 0.3 1 784 215 97 VAL CG2 C 21.166 0.3 1 785 215 97 VAL N N 123.394 0.3 1 786 216 98 THR HA H 3.902 0.020 1 787 216 98 THR HB H 4.315 0.020 1 788 216 98 THR CA C 66.866 0.3 1 789 216 98 THR CB C 68.209 0.3 1 790 216 98 THR CG2 C 22.212 0.3 1 791 216 98 THR N N 118.097 0.3 1 792 217 99 GLN HA H 3.642 0.020 1 793 217 99 GLN HB2 H 2.331 0.020 2 794 217 99 GLN HB3 H 2.095 0.020 2 795 217 99 GLN HE21 H 7.230 0.020 1 796 217 99 GLN HE22 H 6.743 0.020 1 797 217 99 GLN HG2 H 1.687 0.020 2 798 217 99 GLN HG3 H 1.630 0.020 2 799 217 99 GLN CA C 58.523 0.3 1 800 217 99 GLN CB C 28.139 0.3 1 801 217 99 GLN CG C 32.277 0.3 1 802 217 99 GLN N N 122.640 0.3 1 803 217 99 GLN NE2 N 114.540 0.3 1 804 218 100 TYR HA H 2.911 0.020 1 805 218 100 TYR HB2 H 3.032 0.020 2 806 218 100 TYR HB3 H 2.710 0.020 2 807 218 100 TYR CA C 62.020 0.3 1 808 218 100 TYR CB C 36.956 0.3 1 809 218 100 TYR CD1 C 131.860 0.3 1 810 218 100 TYR CE1 C 116.945 0.3 1 811 218 100 TYR N N 120.097 0.3 1 812 219 101 GLN HA H 3.736 0.020 1 813 219 101 GLN HB2 H 2.320 0.020 2 814 219 101 GLN HB3 H 2.080 0.020 2 815 219 101 GLN HE21 H 7.480 0.020 1 816 219 101 GLN HE22 H 6.842 0.020 1 817 219 101 GLN HG2 H 2.709 0.020 2 818 219 101 GLN HG3 H 2.481 0.020 2 819 219 101 GLN CA C 58.795 0.3 1 820 219 101 GLN CB C 27.404 0.3 1 821 219 101 GLN CG C 33.697 0.3 1 822 219 101 GLN N N 119.736 0.3 1 823 219 101 GLN NE2 N 110.974 0.3 1 824 220 102 LYS HA H 3.991 0.020 1 825 220 102 LYS HB2 H 1.885 0.020 2 826 220 102 LYS HB3 H 1.833 0.020 2 827 220 102 LYS HG2 H 1.563 0.020 2 828 220 102 LYS HG3 H 1.399 0.020 2 829 220 102 LYS CA C 59.278 0.3 1 830 220 102 LYS CB C 32.286 0.3 1 831 220 102 LYS CD C 29.276 0.3 1 832 220 102 LYS CE C 41.826 0.3 1 833 220 102 LYS CG C 24.891 0.3 1 834 220 102 LYS N N 119.565 0.3 1 835 221 103 GLU HA H 4.062 0.020 1 836 221 103 GLU HB2 H 2.198 0.020 2 837 221 103 GLU HB3 H 1.625 0.020 2 838 221 103 GLU HG2 H 2.177 0.020 2 839 221 103 GLU HG3 H 2.453 0.020 2 840 221 103 GLU CA C 57.471 0.3 1 841 221 103 GLU CB C 29.356 0.3 1 842 221 103 GLU CG C 35.640 0.3 1 843 221 103 GLU N N 117.748 0.3 1 844 222 104 SER HA H 4.000 0.020 1 845 222 104 SER HB2 H 3.585 0.020 2 846 222 104 SER HB3 H 3.356 0.020 2 847 222 104 SER CA C 60.720 0.3 1 848 222 104 SER CB C 62.510 0.3 1 849 222 104 SER N N 115.464 0.3 1 850 223 105 GLN HA H 4.115 0.020 1 851 223 105 GLN HE21 H 7.591 0.020 1 852 223 105 GLN HE22 H 6.857 0.020 1 853 223 105 GLN HG2 H 2.449 0.020 2 854 223 105 GLN HG3 H 2.376 0.020 2 855 223 105 GLN CA C 57.394 0.3 1 856 223 105 GLN CB C 28.351 0.3 1 857 223 105 GLN CG C 33.674 0.3 1 858 223 105 GLN N N 121.764 0.3 1 859 223 105 GLN NE2 N 112.791 0.3 1 860 224 106 ALA HA H 4.211 0.020 1 861 224 106 ALA CA C 53.774 0.3 1 862 224 106 ALA CB C 18.309 0.3 1 863 224 106 ALA N N 122.192 0.3 1 864 225 107 ALA HA H 4.228 0.020 1 865 225 107 ALA CA C 53.446 0.3 1 866 225 107 ALA CB C 18.415 0.3 1 867 225 107 ALA N N 121.139 0.3 1 868 226 108 ALA HA H 4.222 0.020 1 869 226 108 ALA CA C 53.370 0.3 1 870 226 108 ALA CB C 18.428 0.3 1 871 226 108 ALA N N 122.152 0.3 1 872 227 109 ASP HA H 4.588 0.020 1 873 227 109 ASP CA C 54.488 0.3 1 874 227 109 ASP CB C 40.229 0.3 1 875 227 109 ASP N N 118.101 0.3 1 876 228 110 GLY CA C 45.560 0.3 1 877 228 110 GLY N N 108.427 0.3 1 878 229 111 ARG HA H 4.373 0.020 1 879 229 111 ARG HB2 H 1.822 0.020 2 880 229 111 ARG HB3 H 1.897 0.020 2 881 229 111 ARG HE H 7.346 0.020 1 882 229 111 ARG HG2 H 1.662 0.020 2 883 229 111 ARG HG3 H 1.635 0.020 2 884 229 111 ARG CA C 56.056 0.3 1 885 229 111 ARG CB C 30.620 0.3 1 886 229 111 ARG CD C 43.288 0.3 1 887 229 111 ARG CG C 27.015 0.3 1 888 229 111 ARG N N 120.092 0.3 1 889 229 111 ARG NE N 84.762 0.3 1 890 230 112 ARG HA H 4.438 0.020 1 891 230 112 ARG HB2 H 1.830 0.020 2 892 230 112 ARG HB3 H 1.939 0.020 2 893 230 112 ARG HE H 7.279 0.020 1 894 230 112 ARG HG2 H 1.672 0.020 2 895 230 112 ARG HG3 H 1.632 0.020 2 896 230 112 ARG CA C 55.905 0.3 1 897 230 112 ARG CB C 30.853 0.3 1 898 230 112 ARG CD C 43.194 0.3 1 899 230 112 ARG CG C 26.987 0.3 1 900 230 112 ARG N N 122.122 0.3 1 901 230 112 ARG NE N 84.706 0.3 1 902 231 113 SER HA H 4.526 0.020 1 903 231 113 SER HB2 H 3.937 0.020 2 904 231 113 SER HB3 H 3.903 0.020 2 905 231 113 SER CA C 58.176 0.3 1 906 231 113 SER CB C 63.860 0.3 1 907 231 113 SER N N 117.624 0.3 1 908 232 114 SER HA H 4.305 0.020 1 909 232 114 SER CA C 59.798 0.3 1 910 232 114 SER CB C 64.582 0.3 1 911 232 114 SER N N 122.782 0.3 1 stop_ save_