data_17034 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H and 15N Chemical Shift Assignments for the Syrian hamster prion protein shPrP(90-232) ; _BMRB_accession_number 17034 _BMRB_flat_file_name bmr17034.str _Entry_type original _Submission_date 2010-06-30 _Accession_date 2010-06-30 _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 Bjorndahl Trent C. . 2 Zhou Guo-Ping . . 3 Lui Xue-Hui . . 4 Perez-Pineiro Rolando . . 5 Semenchenko Valentyna . . 6 Bujold Adina . . 7 Sobsey Constance A. . 8 Wishart David S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 4 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1605 "15N chemical shifts" 544 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-02-16 update BMRB 'update entry citation' 2011-01-19 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Detailed Biophysical Characterization of the Acid-Induced PrP(c) to PrP() Conversion Process.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21189021 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bjorndahl Trent C. . 2 Zhou Guo-Ping . . 3 Liu Xuehui . . 4 Perez-Pineiro Rolando . . 5 Semenchenko Valentyna . . 6 Saleem Fozia . . 7 Acharya Sandipta . . 8 Bujold Adina . . 9 Sobsey Constance A. . 10 Wishart David S. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 50 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1162 _Page_last 1173 _Year 2011 _Details . loop_ _Keyword fibril oligomer prion protein stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name shPrP(90-232) _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label shPrP(90-232) $shPrP stop_ _System_molecular_weight 18710.7 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function unknown stop_ _Database_query_date . _Details 'syrian hamster prion protein' save_ ######################## # Monomeric polymers # ######################## save_shPrP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common shPrP _Molecular_mass 18710.7 _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function unknown stop_ _Details ; Intact 6x-His tag and thrombin cleavage site MGSSHHHHHHSSGLVPRGSHMLE ; ############################## # Polymer residue sequence # ############################## _Residue_count 162 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSG QGGGTHNQWNKPSKPKTNMK HMAGAAAAGAVVGGLGGYML GSAMSRPMMHFGNDWEDRYY RENMNRYPNQVYYRPVDQYN NQNNFVHDCVNITIKQHTVT TTTKGENFTETDIKIMERVV EQMCTTQYQKESQAYYDGRR SS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -19 MET 2 -18 GLY 3 -17 SER 4 -16 SER 5 -15 HIS 6 -14 HIS 7 -13 HIS 8 -12 HIS 9 -11 HIS 10 -10 HIS 11 -9 SER 12 -8 SER 13 -7 GLY 14 -6 LEU 15 -5 VAL 16 -4 PRO 17 -3 ARG 18 -2 GLY 19 -1 SER 20 0 GLY 21 1 GLN 22 2 GLY 23 3 GLY 24 4 GLY 25 5 THR 26 6 HIS 27 7 ASN 28 8 GLN 29 9 TRP 30 10 ASN 31 11 LYS 32 12 PRO 33 13 SER 34 14 LYS 35 15 PRO 36 16 LYS 37 17 THR 38 18 ASN 39 19 MET 40 20 LYS 41 21 HIS 42 22 MET 43 23 ALA 44 24 GLY 45 25 ALA 46 26 ALA 47 27 ALA 48 28 ALA 49 29 GLY 50 30 ALA 51 31 VAL 52 32 VAL 53 33 GLY 54 34 GLY 55 35 LEU 56 36 GLY 57 37 GLY 58 38 TYR 59 39 MET 60 40 LEU 61 41 GLY 62 42 SER 63 43 ALA 64 44 MET 65 45 SER 66 46 ARG 67 47 PRO 68 48 MET 69 49 MET 70 50 HIS 71 51 PHE 72 52 GLY 73 53 ASN 74 54 ASP 75 55 TRP 76 56 GLU 77 57 ASP 78 58 ARG 79 59 TYR 80 60 TYR 81 61 ARG 82 62 GLU 83 63 ASN 84 64 MET 85 65 ASN 86 66 ARG 87 67 TYR 88 68 PRO 89 69 ASN 90 70 GLN 91 71 VAL 92 72 TYR 93 73 TYR 94 74 ARG 95 75 PRO 96 76 VAL 97 77 ASP 98 78 GLN 99 79 TYR 100 80 ASN 101 81 ASN 102 82 GLN 103 83 ASN 104 84 ASN 105 85 PHE 106 86 VAL 107 87 HIS 108 88 ASP 109 89 CYS 110 90 VAL 111 91 ASN 112 92 ILE 113 93 THR 114 94 ILE 115 95 LYS 116 96 GLN 117 97 HIS 118 98 THR 119 99 VAL 120 100 THR 121 101 THR 122 102 THR 123 103 THR 124 104 LYS 125 105 GLY 126 106 GLU 127 107 ASN 128 108 PHE 129 109 THR 130 110 GLU 131 111 THR 132 112 ASP 133 113 ILE 134 114 LYS 135 115 ILE 136 116 MET 137 117 GLU 138 118 ARG 139 119 VAL 140 120 VAL 141 121 GLU 142 122 GLN 143 123 MET 144 124 CYS 145 125 THR 146 126 THR 147 127 GLN 148 128 TYR 149 129 GLN 150 130 LYS 151 131 GLU 152 132 SER 153 133 GLN 154 134 ALA 155 135 TYR 156 136 TYR 157 137 ASP 158 138 GLY 159 139 ARG 160 140 ARG 161 141 SER 162 142 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 17834 shPrP 64.20 104 100.00 100.00 1.00e-71 BMRB 4307 "recombinant Syrian hamster prion protein" 87.65 142 100.00 100.00 5.41e-102 PDB 1B10 "Solution Nmr Structure Of Recombinant Syrian Hamster Prion Protein Rprp(90-231) , 25 Structures" 87.65 142 100.00 100.00 5.41e-102 PDB 2LH8 "Syrian Hamster Prion Protein With Thiamine" 64.20 104 100.00 100.00 1.00e-71 PDB 4YXL "Crystal Structure Of Syrian Hamster Prion Protein Complexed With Pom1 Fab" 102.47 166 97.59 97.59 1.40e-115 GB AAA37090 "scrapie prion, partial [Mesocricetus auratus]" 89.51 243 99.31 99.31 7.03e-101 GB AAA37091 "PrP 33-35-C protein precursor, partial [Mesocricetus auratus]" 89.51 254 99.31 99.31 6.01e-101 GB AAA37092 "prion protein [Mesocricetus auratus]" 89.51 240 99.31 99.31 6.29e-101 GB AAA37093 "PrP 27-30 protein, partial [Mesocricetus auratus]" 88.27 145 100.00 100.00 7.03e-103 GB AAB25731 "PrPSc=scrapie prion protein [hamsters, Syrian golden, brain, Peptide, 254 aa]" 89.51 254 99.31 99.31 6.01e-101 REF XP_005068717 "PREDICTED: major prion protein [Mesocricetus auratus]" 89.51 254 99.31 99.31 6.01e-101 REF XP_012967855 "PREDICTED: major prion protein [Mesocricetus auratus]" 89.51 254 99.31 99.31 6.01e-101 SP P04273 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 89.51 254 99.31 99.31 6.01e-101 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $shPrP 'Golden hamster' 10036 Eukaryota Metazoa Mesocricetus auratus 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 $shPrP 'recombinant technology' . Escherichia coli BL21(DE3) pET15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'pH 5.2' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $shPrP . mM 0.5 1.0 '[U-100% 15N]' 'sodium acetate' 20 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'pH 3.5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $shPrP . mM 0.5 1.0 '[U-100% 15N]' 'sodium acetate' 20 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details 'pH 3.2' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $shPrP . mM 0.5 1.0 '[U-100% 15N]' 'sodium acetate' 20 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details 'pH 3.0' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $shPrP . mM 0.5 1.0 '[U-100% 15N]' 'Formic Acetate' 20 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version 'NMRViewJ v. 8.0.a21' loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version 2.1b loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNHA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNHA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_3D_HNHA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_3 save_ save_3D_1H-15N_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_4 save_ save_3D_HNHA_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_4 save_ save_3D_1H-15N_TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_4 save_ save_3D_1H-15N_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_4 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'Buffer: Sodium Acetate' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.02 . M pH 5.2 0.2 pH pressure 1 . atm temperature 303 0.1 K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details 'Buffer: Sodium Acetate' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.02 . M pH 3.5 0.2 pH pressure 1 . atm temperature 303 0.1 K stop_ save_ save_sample_conditions_3 _Saveframe_category sample_conditions _Details 'Buffer: Sodium Acetate' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.02 . M pH 3.2 0.2 pH pressure 1 . atm temperature 303 0.1 K stop_ save_ save_sample_conditions_4 _Saveframe_category sample_conditions _Details 'Buffer: Formic Acetate' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.02 . M pH 3.0 0.2 pH pressure 1 . atm temperature 303 0.1 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 H 1 'methyl protons' ppm 0 external direct . 'separate tube (no insert) similar to the experimental sample tube' . 1.0 DSS N 15 'methyl protons' ppm 0 external indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.101340679 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNHA' '3D 1H-15N TOCSY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name shPrP(90-232) _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 1 21 GLN HA H 4.35 0.02 1 2 1 21 GLN N N 119.6 0.2 1 3 2 22 GLY H H 8.59 0.02 1 4 2 22 GLY N N 110.9 0.2 1 5 3 23 GLY H H 8.35 0.02 1 6 3 23 GLY N N 108.4 0.2 1 7 4 24 GLY H H 8.3 0.02 1 8 4 24 GLY HA2 H 4.01 0.02 2 9 4 24 GLY N N 108.7 0.2 1 10 5 25 THR H H 8.064 0.02 1 11 5 25 THR HA H 4.28 0.02 1 12 5 25 THR N N 113.164 0.2 1 13 6 26 HIS H H 8.53 0.02 1 14 6 26 HIS N N 120.6 0.2 1 15 7 27 ASN H H 8.419 0.02 1 16 7 27 ASN N N 119.928 0.2 1 17 8 28 GLN H H 8.334 0.02 1 18 8 28 GLN HA H 4.21 0.02 1 19 8 28 GLN N N 120.415 0.2 1 20 9 29 TRP H H 8.07 0.02 1 21 9 29 TRP HA H 4.68 0.02 1 22 9 29 TRP N N 121.347 0.2 1 23 10 30 ASN H H 8.083 0.02 1 24 10 30 ASN HA H 4.63 0.02 1 25 10 30 ASN N N 120.217 0.2 1 26 11 31 LYS H H 7.977 0.02 1 27 11 31 LYS HA H 4.48 0.02 1 28 11 31 LYS N N 122.552 0.2 1 29 13 33 SER H H 8.386 0.02 1 30 13 33 SER HA H 4.41 0.02 1 31 13 33 SER N N 116.779 0.2 1 32 14 34 LYS H H 8.284 0.02 1 33 14 34 LYS HA H 4.62 0.02 1 34 14 34 LYS N N 124.083 0.2 1 35 16 36 LYS H H 8.438 0.02 1 36 16 36 LYS HA H 4.3 0.02 1 37 16 36 LYS N N 121.932 0.2 1 38 17 37 THR H H 8.1 0.02 1 39 17 37 THR HA H 4.34 0.02 1 40 17 37 THR N N 115.139 0.2 1 41 18 38 ASN H H 8.508 0.02 1 42 18 38 ASN HA H 4.72 0.02 1 43 18 38 ASN N N 121.269 0.2 1 44 19 39 MET H H 8.304 0.02 1 45 19 39 MET HA H 4.43 0.02 1 46 19 39 MET N N 121.251 0.2 1 47 20 40 LYS H H 8.272 0.02 1 48 20 40 LYS HA H 4.23 0.02 1 49 20 40 LYS N N 122.166 0.2 1 50 21 41 HIS H H 8.45 0.02 1 51 21 41 HIS N N 119.3 0.2 1 52 22 42 MET H H 8.338 0.02 1 53 22 42 MET N N 122.489 0.2 1 54 23 43 ALA H H 8.368 0.02 1 55 23 43 ALA HA H 4.32 0.02 1 56 23 43 ALA N N 125.658 0.2 1 57 24 44 GLY H H 8.348 0.02 1 58 24 44 GLY HA2 H 3.96 0.02 2 59 24 44 GLY N N 108.45 0.2 1 60 25 45 ALA H H 8.116 0.02 1 61 25 45 ALA HA H 4.31 0.02 1 62 25 45 ALA N N 123.834 0.2 1 63 26 46 ALA H H 8.168 0.02 1 64 26 46 ALA HA H 4.31 0.02 1 65 26 46 ALA N N 123.204 0.2 1 66 27 47 ALA H H 8.15 0.02 1 67 27 47 ALA HA H 4.29 0.02 1 68 27 47 ALA N N 123.1 0.2 1 69 28 48 ALA H H 8.254 0.02 1 70 28 48 ALA HA H 4.33 0.02 1 71 28 48 ALA N N 123.055 0.2 1 72 29 49 GLY H H 8.235 0.02 1 73 29 49 GLY HA2 H 3.95 0.02 2 74 29 49 GLY N N 107.839 0.2 1 75 30 50 ALA H H 8.042 0.02 1 76 30 50 ALA HA H 4.367 0.02 1 77 30 50 ALA N N 123.518 0.2 1 78 31 51 VAL H H 8.086 0.02 1 79 31 51 VAL HA H 4.15 0.02 1 80 31 51 VAL N N 119.514 0.2 1 81 32 52 VAL H H 8.219 0.02 1 82 32 52 VAL HA H 4.11 0.02 1 83 32 52 VAL N N 124.443 0.2 1 84 33 53 GLY H H 8.517 0.02 1 85 33 53 GLY HA2 H 3.96 0.02 2 86 33 53 GLY N N 113.191 0.2 1 87 34 54 GLY H H 8.231 0.02 1 88 34 54 GLY HA2 H 3.95 0.02 2 89 34 54 GLY N N 108.419 0.2 1 90 35 55 LEU H H 8.178 0.02 1 91 35 55 LEU HA H 4.39 0.02 1 92 35 55 LEU N N 121.742 0.2 1 93 36 56 GLY H H 8.491 0.02 1 94 36 56 GLY HA2 H 3.98 0.02 2 95 36 56 GLY N N 109.792 0.2 1 96 37 57 GLY H H 8.303 0.02 1 97 37 57 GLY N N 108.758 0.2 1 98 38 58 TYR H H 7.776 0.02 1 99 38 58 TYR HA H 4.44 0.02 1 100 38 58 TYR N N 117.991 0.2 1 101 39 59 MET H H 9.046 0.02 1 102 39 59 MET HA H 4.49 0.02 1 103 39 59 MET N N 121.348 0.2 1 104 40 60 LEU H H 8.03 0.02 1 105 40 60 LEU N N 121.3 0.2 1 106 41 61 GLY H H 9.23 0.02 1 107 41 61 GLY HA2 H 3.97 0.02 2 108 41 61 GLY N N 114.3 0.2 1 109 42 62 SER H H 8.268 0.02 1 110 42 62 SER HA H 4.4 0.02 1 111 42 62 SER N N 113.856 0.2 1 112 43 63 ALA H H 8.665 0.02 1 113 43 63 ALA N N 125.68 0.2 1 114 44 64 MET H H 8.696 0.02 1 115 44 64 MET HA H 4.71 0.02 1 116 44 64 MET N N 121.229 0.2 1 117 45 65 SER H H 8.351 0.02 1 118 45 65 SER HA H 4.33 0.02 1 119 45 65 SER N N 116.24 0.2 1 120 46 66 ARG H H 8.595 0.02 1 121 46 66 ARG HA H 4.4 0.02 1 122 46 66 ARG N N 126.003 0.2 1 123 48 68 MET H H 8.659 0.02 1 124 48 68 MET HA H 4.72 0.02 1 125 48 68 MET N N 122.544 0.2 1 126 49 69 MET H H 7.399 0.02 1 127 49 69 MET HA H 4.37 0.02 1 128 49 69 MET N N 121.945 0.2 1 129 50 70 HIS H H 8.164 0.02 1 130 50 70 HIS HA H 4.89 0.02 1 131 50 70 HIS N N 118.704 0.2 1 132 51 71 PHE H H 10.292 0.02 1 133 51 71 PHE HA H 4.34 0.02 1 134 51 71 PHE N N 124.143 0.2 1 135 52 72 GLY H H 9.003 0.02 1 136 52 72 GLY HA2 H 4.12 0.02 2 137 52 72 GLY N N 109.144 0.2 1 138 53 73 ASN H H 7.242 0.02 1 139 53 73 ASN HA H 4.88 0.02 1 140 53 73 ASN N N 114.607 0.2 1 141 54 74 ASP H H 8.98 0.02 1 142 54 74 ASP N N 123.388 0.2 1 143 55 75 TRP H H 8.433 0.02 1 144 55 75 TRP HA H 4.26 0.02 1 145 55 75 TRP N N 120.46 0.2 1 146 56 76 GLU H H 8.064 0.02 1 147 56 76 GLU N N 121.012 0.2 1 148 57 77 ASP H H 7.84 0.02 1 149 57 77 ASP HA H 4.59 0.02 1 150 57 77 ASP N N 119.3 0.2 1 151 58 78 ARG H H 7.997 0.02 1 152 58 78 ARG HA H 3.97 0.02 1 153 58 78 ARG N N 120.147 0.2 1 154 59 79 TYR H H 8.33 0.02 1 155 59 79 TYR N N 121.3 0.2 1 156 60 80 TYR H H 8.864 0.02 1 157 60 80 TYR N N 119.635 0.2 1 158 61 81 ARG H H 7.719 0.02 1 159 61 81 ARG HA H 3.66 0.02 1 160 61 81 ARG N N 117.056 0.2 1 161 62 82 GLU H H 7.88 0.02 1 162 62 82 GLU HA H 4.02 0.02 1 163 62 82 GLU N N 115.683 0.2 1 164 63 83 ASN H H 7.478 0.02 1 165 63 83 ASN HA H 4.54 0.02 1 166 63 83 ASN N N 115.778 0.2 1 167 64 84 MET H H 7.505 0.02 1 168 64 84 MET N N 118.282 0.2 1 169 65 85 ASN H H 8.173 0.02 1 170 65 85 ASN HA H 4.42 0.02 1 171 65 85 ASN N N 115.422 0.2 1 172 66 86 ARG H H 8.029 0.02 1 173 66 86 ARG HA H 4.27 0.02 1 174 66 86 ARG N N 117.779 0.2 1 175 67 87 TYR H H 7.374 0.02 1 176 67 87 TYR HA H 5.0 0.02 1 177 67 87 TYR N N 120.429 0.2 1 178 69 89 ASN H H 8.65 0.02 1 179 69 89 ASN HA H 4.72 0.02 1 180 69 89 ASN N N 116.6 0.2 1 181 70 90 GLN H H 7.279 0.02 1 182 70 90 GLN HA H 4.55 0.02 1 183 70 90 GLN N N 114.946 0.2 1 184 71 91 VAL H H 8.377 0.02 1 185 71 91 VAL HA H 4.91 0.02 1 186 71 91 VAL N N 112.624 0.2 1 187 72 92 TYR H H 8.428 0.02 1 188 72 92 TYR HA H 5.53 0.02 1 189 72 92 TYR N N 121.325 0.2 1 190 73 93 TYR H H 8.453 0.02 1 191 73 93 TYR HA H 4.83 0.02 1 192 73 93 TYR N N 111.396 0.2 1 193 74 94 ARG H H 7.94 0.02 1 194 74 94 ARG HA H 4.65 0.02 1 195 74 94 ARG N N 120.4 0.2 1 196 76 96 VAL H H 8.599 0.02 1 197 76 96 VAL N N 119.197 0.2 1 198 77 97 ASP H H 8.2 0.02 1 199 77 97 ASP HA H 4.4 0.02 1 200 77 97 ASP N N 117.5 0.2 1 201 78 98 GLN H H 8.19 0.02 1 202 78 98 GLN HA H 4.1 0.02 1 203 78 98 GLN N N 117.5 0.2 1 204 79 99 TYR H H 7.812 0.02 1 205 79 99 TYR HA H 4.86 0.02 1 206 79 99 TYR N N 116.897 0.2 1 207 80 100 ASN H H 8.978 0.02 1 208 80 100 ASN HA H 4.76 0.02 1 209 80 100 ASN N N 117.398 0.2 1 210 81 101 ASN H H 7.574 0.02 1 211 81 101 ASN HA H 4.74 0.02 1 212 81 101 ASN N N 113.157 0.2 1 213 82 102 GLN H H 8.634 0.02 1 214 82 102 GLN N N 120.995 0.2 1 215 83 103 ASN H H 8.357 0.02 1 216 83 103 ASN HA H 4.29 0.02 1 217 83 103 ASN N N 117.45 0.2 1 218 84 104 ASN H H 8.459 0.02 1 219 84 104 ASN HA H 4.55 0.02 1 220 84 104 ASN N N 118.219 0.2 1 221 85 105 PHE H H 7.202 0.02 1 222 85 105 PHE N N 121.346 0.2 1 223 86 106 VAL H H 8.754 0.02 1 224 86 106 VAL N N 120.062 0.2 1 225 87 107 HIS H H 8.42 0.02 1 226 87 107 HIS HA H 4.32 0.02 1 227 87 107 HIS N N 116.9 0.2 1 228 88 108 ASP H H 7.61 0.02 1 229 88 108 ASP HA H 4.59 0.02 1 230 88 108 ASP N N 118.861 0.2 1 231 89 109 CYS H H 8.103 0.02 1 232 89 109 CYS N N 119.152 0.2 1 233 90 110 VAL H H 9.117 0.02 1 234 90 110 VAL HA H 3.61 0.02 1 235 90 110 VAL N N 125.198 0.2 1 236 91 111 ASN H H 7.632 0.02 1 237 91 111 ASN HA H 4.33 0.02 1 238 91 111 ASN N N 116.641 0.2 1 239 92 112 ILE H H 8.78 0.02 1 240 92 112 ILE HA H 3.72 0.02 1 241 92 112 ILE N N 119.022 0.2 1 242 93 113 THR H H 8.286 0.02 1 243 93 113 THR HA H 4.1 0.02 1 244 93 113 THR N N 117.969 0.2 1 245 94 114 ILE H H 8.513 0.02 1 246 94 114 ILE HA H 3.68 0.02 1 247 94 114 ILE N N 120.722 0.2 1 248 95 115 LYS H H 8.08 0.02 1 249 95 115 LYS N N 122.9 0.2 1 250 96 116 GLN H H 8.49 0.02 1 251 96 116 GLN HA H 4.03 0.02 1 252 96 116 GLN N N 116.9 0.2 1 253 97 117 HIS H H 8.384 0.02 1 254 97 117 HIS N N 119.021 0.2 1 255 98 118 THR H H 8.44 0.02 1 256 98 118 THR HA H 4.11 0.02 1 257 98 118 THR N N 113.6 0.2 1 258 99 119 VAL H H 8.02 0.02 1 259 99 119 VAL HA H 3.9 0.02 1 260 99 119 VAL N N 123.0 0.2 1 261 100 120 THR H H 8.12 0.02 1 262 100 120 THR HA H 4.16 0.02 1 263 100 120 THR N N 115.1 0.2 1 264 101 121 THR H H 7.989 0.02 1 265 101 121 THR HA H 4.08 0.02 1 266 101 121 THR N N 114.739 0.2 1 267 102 122 THR H H 8.188 0.02 1 268 102 122 THR HA H 4.39 0.02 1 269 102 122 THR N N 117.254 0.2 1 270 103 123 THR H H 7.859 0.02 1 271 103 123 THR HA H 4.2 0.02 1 272 103 123 THR N N 116.149 0.2 1 273 104 124 LYS H H 7.563 0.02 1 274 104 124 LYS HA H 4.39 0.02 1 275 104 124 LYS N N 120.105 0.2 1 276 105 125 GLY H H 7.94 0.02 1 277 105 125 GLY HA2 H 3.79 0.02 2 278 105 125 GLY N N 108.0 0.2 1 279 106 126 GLU H H 7.49 0.02 1 280 106 126 GLU HA H 4.26 0.02 1 281 106 126 GLU N N 120.1 0.2 1 282 107 127 ASN H H 8.437 0.02 1 283 107 127 ASN HA H 4.67 0.02 1 284 107 127 ASN N N 119.453 0.2 1 285 108 128 PHE H H 8.611 0.02 1 286 108 128 PHE HA H 5.3 0.02 1 287 108 128 PHE N N 121.345 0.2 1 288 109 129 THR H H 9.562 0.02 1 289 109 129 THR HA H 4.63 0.02 1 290 109 129 THR N N 115.606 0.2 1 291 110 130 GLU H H 9.104 0.02 1 292 110 130 GLU HA H 4.03 0.02 1 293 110 130 GLU N N 119.873 0.2 1 294 111 131 THR H H 7.89 0.02 1 295 111 131 THR HA H 3.81 0.02 1 296 111 131 THR N N 116.1 0.2 1 297 112 132 ASP H H 7.535 0.02 1 298 112 132 ASP HA H 4.61 0.02 1 299 112 132 ASP N N 119.35 0.2 1 300 113 133 ILE H H 8.13 0.02 1 301 113 133 ILE HA H 3.49 0.02 1 302 113 133 ILE N N 119.0 0.2 1 303 114 134 LYS H H 7.84 0.02 1 304 114 134 LYS HA H 4.03 0.02 1 305 114 134 LYS N N 119.2 0.2 1 306 115 135 ILE H H 7.95 0.02 1 307 115 135 ILE HA H 3.59 0.02 1 308 115 135 ILE N N 119.7 0.2 1 309 116 136 MET H H 8.829 0.02 1 310 116 136 MET HA H 3.52 0.02 1 311 116 136 MET N N 119.27 0.2 1 312 117 137 GLU H H 8.655 0.02 1 313 117 137 GLU N N 118.12 0.2 1 314 118 138 ARG H H 7.134 0.02 1 315 118 138 ARG HA H 4.18 0.02 1 316 118 138 ARG N N 117.015 0.2 1 317 119 139 VAL H H 8.366 0.02 1 318 119 139 VAL HA H 3.76 0.02 1 319 119 139 VAL N N 120.7 0.2 1 320 120 140 VAL H H 9.286 0.02 1 321 120 140 VAL HA H 3.68 0.02 1 322 120 140 VAL N N 120.177 0.2 1 323 121 141 GLU H H 8.062 0.02 1 324 121 141 GLU N N 121.773 0.2 1 325 122 142 GLN H H 7.408 0.02 1 326 122 142 GLN HA H 4.063 0.02 1 327 122 142 GLN N N 120.219 0.2 1 328 123 143 MET H H 8.225 0.02 1 329 123 143 MET HA H 4.11 0.02 1 330 123 143 MET N N 120.452 0.2 1 331 124 144 CYS H H 9.473 0.02 1 332 124 144 CYS N N 118.187 0.2 1 333 125 145 THR H H 8.194 0.02 1 334 125 145 THR HA H 3.77 0.02 1 335 125 145 THR N N 120.155 0.2 1 336 126 146 THR H H 8.28 0.02 1 337 126 146 THR HA H 3.93 0.02 1 338 126 146 THR N N 121.1 0.2 1 339 127 147 GLN H H 8.512 0.02 1 340 127 147 GLN HA H 3.66 0.02 1 341 127 147 GLN N N 122.177 0.2 1 342 128 148 TYR H H 8.348 0.02 1 343 128 148 TYR N N 119.607 0.2 1 344 129 149 GLN H H 7.96 0.02 1 345 129 149 GLN HA H 3.68 0.02 1 346 129 149 GLN N N 119.6 0.2 1 347 130 150 LYS H H 7.871 0.02 1 348 130 150 LYS HA H 3.97 0.02 1 349 130 150 LYS N N 119.258 0.2 1 350 131 151 GLU H H 8.32 0.02 1 351 131 151 GLU HA H 4.02 0.02 1 352 131 151 GLU N N 118.0 0.2 1 353 132 152 SER H H 8.274 0.02 1 354 132 152 SER HA H 3.98 0.02 1 355 132 152 SER N N 114.789 0.2 1 356 133 153 GLN H H 7.583 0.02 1 357 133 153 GLN HA H 4.16 0.02 1 358 133 153 GLN N N 120.631 0.2 1 359 134 154 ALA H H 7.584 0.02 1 360 134 154 ALA HA H 4.18 0.02 1 361 134 154 ALA N N 120.919 0.2 1 362 135 155 TYR H H 7.882 0.02 1 363 135 155 TYR HA H 4.29 0.02 1 364 135 155 TYR N N 118.752 0.2 1 365 136 156 TYR H H 7.992 0.02 1 366 136 156 TYR HA H 4.34 0.02 1 367 136 156 TYR N N 119.766 0.2 1 368 137 157 ASP H H 8.161 0.02 1 369 137 157 ASP HA H 4.5 0.02 1 370 137 157 ASP N N 121.177 0.2 1 371 138 158 GLY H H 7.867 0.02 1 372 138 158 GLY HA2 H 3.9 0.02 2 373 138 158 GLY N N 108.121 0.2 1 374 139 159 ARG H H 7.866 0.02 1 375 139 159 ARG HA H 4.31 0.02 1 376 139 159 ARG N N 119.948 0.2 1 377 140 160 ARG H H 8.38 0.02 1 378 140 160 ARG HA H 4.43 0.02 1 379 140 160 ARG N N 122.7 0.2 1 380 141 161 SER H H 7.957 0.02 1 381 141 161 SER HA H 4.28 0.02 1 382 141 161 SER N N 122.898 0.2 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNHA' '3D 1H-15N TOCSY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name shPrP(90-232) _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 1 21 GLN H H 8.25 0.02 1 2 1 21 GLN HA H 4.37 0.02 1 3 1 21 GLN HB2 H 1.98 0.02 2 4 1 21 GLN HB3 H 2.04 0.02 2 5 1 21 GLN HG2 H 2.34 0.02 2 6 1 21 GLN HG3 H 2.13 0.02 2 7 1 21 GLN N N 119.662 0.20 1 8 2 22 GLY H H 8.596 0.02 1 9 2 22 GLY HA2 H 4.01 0.02 2 10 2 22 GLY N N 110.78 0.20 1 11 3 23 GLY H H 8.33 0.02 1 12 3 23 GLY HA2 H 3.93 0.02 2 13 3 23 GLY N N 108.496 0.20 1 14 4 24 GLY H H 8.257 0.02 1 15 4 24 GLY HA2 H 3.85 0.02 2 16 4 24 GLY N N 108.817 0.20 1 17 5 25 THR H H 8.042 0.02 1 18 5 25 THR HA H 4.25 0.02 1 19 5 25 THR HB H 4.11 0.02 1 20 5 25 THR HG2 H 1.12 0.02 1 21 5 25 THR N N 113.136 0.20 1 22 6 26 HIS H H 8.577 0.02 1 23 6 26 HIS HA H 4.71 0.02 1 24 6 26 HIS HB2 H 3.2 0.02 2 25 6 26 HIS N N 120.332 0.20 1 26 7 27 ASN H H 8.37 0.02 1 27 7 27 ASN HA H 4.6 0.02 1 28 7 27 ASN HB2 H 2.63 0.02 2 29 7 27 ASN N N 119.749 0.20 1 30 8 28 GLN H H 8.331 0.02 1 31 8 28 GLN HA H 4.21 0.02 1 32 8 28 GLN HB2 H 2.0 0.02 2 33 8 28 GLN HB3 H 1.81 0.02 2 34 8 28 GLN HG2 H 2.17 0.02 2 35 8 28 GLN N N 120.587 0.20 1 36 9 29 TRP H H 8.08 0.02 1 37 9 29 TRP HA H 4.66 0.02 1 38 9 29 TRP HB2 H 3.25 0.02 2 39 9 29 TRP N N 121.845 0.20 1 40 10 30 ASN H H 8.091 0.02 1 41 10 30 ASN HA H 4.66 0.02 1 42 10 30 ASN HB2 H 2.6 0.02 2 43 10 30 ASN N N 120.624 0.20 1 44 11 31 LYS H H 8.019 0.02 1 45 11 31 LYS HA H 4.46 0.02 1 46 11 31 LYS HB2 H 1.65 0.02 2 47 11 31 LYS HB3 H 1.81 0.02 2 48 11 31 LYS HG2 H 1.34 0.02 2 49 11 31 LYS HG3 H 1.5 0.02 2 50 11 31 LYS N N 122.917 0.20 1 51 13 33 SER H H 8.335 0.02 1 52 13 33 SER HA H 4.48 0.02 1 53 13 33 SER HB2 H 3.87 0.02 2 54 13 33 SER N N 117.421 0.20 1 55 14 34 LYS H H 8.293 0.02 1 56 14 34 LYS HA H 4.6 0.02 1 57 14 34 LYS HB2 H 1.72 0.02 2 58 14 34 LYS HB3 H 1.84 0.02 2 59 14 34 LYS HG2 H 1.44 0.02 2 60 14 34 LYS N N 124.181 0.20 1 61 16 36 LYS H H 8.449 0.02 1 62 16 36 LYS HA H 4.3 0.02 1 63 16 36 LYS HB2 H 1.78 0.02 2 64 16 36 LYS HG2 H 1.5 0.02 2 65 16 36 LYS N N 122.025 0.20 1 66 17 37 THR H H 8.082 0.02 1 67 17 37 THR HA H 4.35 0.02 1 68 17 37 THR HB H 4.17 0.02 1 69 17 37 THR HG2 H 1.16 0.02 1 70 17 37 THR N N 115.155 0.20 1 71 18 38 ASN H H 8.507 0.02 1 72 18 38 ASN HA H 4.71 0.02 1 73 18 38 ASN HB2 H 2.77 0.02 2 74 18 38 ASN N N 121.499 0.20 1 75 19 39 MET H H 8.322 0.02 1 76 19 39 MET HA H 4.39 0.02 1 77 19 39 MET HB2 H 1.98 0.02 2 78 19 39 MET HG2 H 2.6 0.02 2 79 19 39 MET HG3 H 2.43 0.02 2 80 19 39 MET N N 121.502 0.20 1 81 20 40 LYS H H 8.25 0.02 1 82 20 40 LYS HA H 4.22 0.02 1 83 20 40 LYS HB2 H 1.78 0.02 2 84 20 40 LYS HD2 H 1.41 0.02 2 85 20 40 LYS HG2 H 1.71 0.02 2 86 20 40 LYS N N 122.375 0.20 1 87 21 41 HIS H H 8.5 0.02 1 88 21 41 HIS HA H 4.67 0.02 1 89 21 41 HIS HB2 H 3.17 0.02 2 90 21 41 HIS N N 119.947 0.20 1 91 22 42 MET H H 8.411 0.02 1 92 22 42 MET HA H 4.47 0.02 1 93 22 42 MET HB2 H 1.99 0.02 2 94 22 42 MET HG2 H 2.52 0.02 2 95 22 42 MET N N 122.9 0.20 1 96 23 43 ALA H H 8.391 0.02 1 97 23 43 ALA HA H 4.31 0.02 1 98 23 43 ALA HB H 1.39 0.02 1 99 23 43 ALA N N 125.94 0.20 1 100 24 44 GLY H H 8.359 0.02 1 101 24 44 GLY HA2 H 3.94 0.02 2 102 24 44 GLY N N 108.893 0.20 1 103 25 45 ALA H H 8.122 0.02 1 104 25 45 ALA HA H 4.28 0.02 1 105 25 45 ALA HB H 1.36 0.02 1 106 25 45 ALA N N 123.905 0.20 1 107 26 46 ALA H H 8.18 0.02 1 108 26 46 ALA HA H 4.4 0.02 1 109 26 46 ALA HB H 1.39 0.02 1 110 26 46 ALA N N 123.6 0.20 1 111 27 47 ALA H H 8.181 0.02 1 112 27 47 ALA HA H 4.29 0.02 1 113 27 47 ALA HB H 1.37 0.02 1 114 27 47 ALA N N 123.388 0.20 1 115 28 48 ALA H H 8.31 0.02 1 116 28 48 ALA HA H 4.33 0.02 1 117 28 48 ALA HB H 1.59 0.02 1 118 28 48 ALA N N 123.467 0.20 1 119 29 49 GLY H H 8.233 0.02 1 120 29 49 GLY HA2 H 3.9 0.02 2 121 29 49 GLY N N 107.938 0.20 1 122 30 50 ALA H H 8.016 0.02 1 123 30 50 ALA HA H 4.34 0.02 1 124 30 50 ALA HB H 1.35 0.02 1 125 30 50 ALA N N 123.78 0.20 1 126 31 51 VAL H H 8.087 0.02 1 127 31 51 VAL HA H 4.11 0.02 1 128 31 51 VAL HB H 2.01 0.02 1 129 31 51 VAL HG2 H 0.88 0.02 2 130 31 51 VAL N N 119.761 0.20 1 131 32 52 VAL H H 8.216 0.02 1 132 32 52 VAL HA H 4.09 0.02 1 133 32 52 VAL HB H 2.02 0.02 1 134 32 52 VAL HG2 H 0.9 0.02 2 135 32 52 VAL N N 124.681 0.20 1 136 33 53 GLY H H 8.486 0.02 1 137 33 53 GLY HA2 H 3.93 0.02 2 138 33 53 GLY N N 113.088 0.20 1 139 34 54 GLY H H 8.214 0.02 1 140 34 54 GLY HA2 H 3.94 0.02 2 141 34 54 GLY N N 108.44 0.20 1 142 35 55 LEU H H 8.207 0.02 1 143 35 55 LEU HA H 4.36 0.02 1 144 35 55 LEU HB2 H 1.58 0.02 2 145 35 55 LEU HG H 1.44 0.02 1 146 35 55 LEU N N 121.741 0.20 1 147 36 56 GLY H H 8.49 0.02 1 148 36 56 GLY HA2 H 3.97 0.02 2 149 36 56 GLY N N 110.024 0.20 1 150 37 57 GLY H H 8.297 0.02 1 151 37 57 GLY HA2 H 3.98 0.02 2 152 37 57 GLY N N 108.734 0.20 1 153 38 58 TYR H H 7.727 0.02 1 154 38 58 TYR HA H 4.44 0.02 1 155 38 58 TYR HB2 H 2.86 0.02 2 156 38 58 TYR N N 117.885 0.20 1 157 39 59 MET H H 8.98 0.02 1 158 39 59 MET HA H 4.52 0.02 1 159 39 59 MET HB2 H 1.6 0.02 2 160 39 59 MET HB3 H 1.26 0.02 2 161 39 59 MET HG2 H 2.48 0.02 2 162 39 59 MET HG3 H 2.05 0.02 2 163 39 59 MET N N 121.171 0.20 1 164 40 60 LEU H H 8.077 0.02 1 165 40 60 LEU HA H 4.67 0.02 1 166 40 60 LEU HB2 H 1.06 0.02 2 167 40 60 LEU HB3 H 1.58 0.02 2 168 40 60 LEU HD1 H 0.64 0.02 2 169 40 60 LEU HD2 H 0.064 0.02 2 170 40 60 LEU N N 121.413 0.20 1 171 41 61 GLY H H 9.183 0.02 1 172 41 61 GLY HA2 H 4.34 0.02 2 173 41 61 GLY HA3 H 3.93 0.02 2 174 41 61 GLY N N 114.337 0.20 1 175 42 62 SER H H 8.24 0.02 1 176 42 62 SER HA H 4.4 0.02 1 177 42 62 SER HB2 H 3.92 0.02 2 178 42 62 SER N N 113.842 0.20 1 179 43 63 ALA H H 8.661 0.02 1 180 43 63 ALA HA H 4.36 0.02 1 181 43 63 ALA HB H 1.25 0.02 1 182 43 63 ALA N N 125.557 0.20 1 183 44 64 MET H H 8.689 0.02 1 184 44 64 MET HA H 4.65 0.02 1 185 44 64 MET HB2 H 1.99 0.02 2 186 44 64 MET N N 121.433 0.20 1 187 45 65 SER H H 8.332 0.02 1 188 45 65 SER HA H 4.37 0.02 1 189 45 65 SER HB2 H 3.8 0.02 2 190 45 65 SER N N 116.132 0.20 1 191 46 66 ARG H H 8.574 0.02 1 192 46 66 ARG HA H 4.42 0.02 1 193 46 66 ARG HB2 H 1.8 0.02 2 194 46 66 ARG HD2 H 3.15 0.02 2 195 46 66 ARG HG2 H 1.64 0.02 2 196 46 66 ARG N N 125.826 0.20 1 197 48 68 MET H H 8.649 0.02 1 198 48 68 MET HA H 4.7 0.02 1 199 48 68 MET HB2 H 1.98 0.02 2 200 48 68 MET HG2 H 2.61 0.02 2 201 48 68 MET N N 122.459 0.20 1 202 49 69 MET H H 7.34 0.02 1 203 49 69 MET HA H 4.32 0.02 1 204 49 69 MET HB2 H 1.08 0.02 2 205 49 69 MET HG2 H 1.93 0.02 2 206 49 69 MET HG3 H 1.75 0.02 2 207 49 69 MET N N 121.818 0.20 1 208 50 70 HIS H H 8.128 0.02 1 209 50 70 HIS HA H 4.88 0.02 1 210 50 70 HIS HB2 H 3.2 0.02 2 211 50 70 HIS HB3 H 2.91 0.02 2 212 50 70 HIS N N 118.418 0.20 1 213 51 71 PHE H H 10.273 0.02 1 214 51 71 PHE HA H 4.36 0.02 1 215 51 71 PHE HB2 H 2.8 0.02 2 216 51 71 PHE HB3 H 2.68 0.02 2 217 51 71 PHE N N 123.198 0.20 1 218 52 72 GLY H H 8.961 0.02 1 219 52 72 GLY HA2 H 3.74 0.02 2 220 52 72 GLY HA3 H 4.11 0.02 2 221 52 72 GLY N N 109.466 0.20 1 222 53 73 ASN H H 7.16 0.02 1 223 53 73 ASN HA H 4.87 0.02 1 224 53 73 ASN HB2 H 2.75 0.02 2 225 53 73 ASN N N 114.961 0.20 1 226 54 74 ASP H H 9.006 0.02 1 227 54 74 ASP HA H 4.48 0.02 1 228 54 74 ASP HB2 H 2.8 0.02 2 229 54 74 ASP N N 123.463 0.20 1 230 55 75 TRP H H 8.406 0.02 1 231 55 75 TRP HA H 4.28 0.02 1 232 55 75 TRP HB2 H 2.81 0.02 2 233 55 75 TRP HB3 H 3.42 0.02 2 234 55 75 TRP N N 120.33 0.20 1 235 56 76 GLU H H 8.137 0.02 1 236 56 76 GLU HA H 3.38 0.02 1 237 56 76 GLU N N 121.664 0.20 1 238 57 77 ASP H H 7.97 0.02 1 239 57 77 ASP HA H 4.53 0.02 1 240 57 77 ASP HB2 H 2.96 0.02 2 241 57 77 ASP N N 120.0 0.20 1 242 58 78 ARG H H 7.98 0.02 1 243 58 78 ARG HA H 3.94 0.02 1 244 58 78 ARG N N 120.253 0.20 1 245 59 79 TYR H H 8.289 0.02 1 246 59 79 TYR N N 121.246 0.20 1 247 60 80 TYR H H 8.835 0.02 1 248 60 80 TYR N N 119.715 0.20 1 249 61 81 ARG H H 7.728 0.02 1 250 61 81 ARG HA H 3.7 0.02 1 251 61 81 ARG HB2 H 1.91 0.02 2 252 61 81 ARG HG2 H 1.71 0.02 2 253 61 81 ARG N N 116.853 0.20 1 254 62 82 GLU H H 7.832 0.02 1 255 62 82 GLU HA H 4.04 0.02 1 256 62 82 GLU HB2 H 1.88 0.02 2 257 62 82 GLU HB3 H 1.71 0.02 2 258 62 82 GLU HG2 H 2.4 0.02 2 259 62 82 GLU HG3 H 2.19 0.02 2 260 62 82 GLU N N 115.345 0.20 1 261 63 83 ASN H H 7.48 0.02 1 262 63 83 ASN HA H 4.6 0.02 1 263 63 83 ASN HB2 H 2.42 0.02 2 264 63 83 ASN HB3 H 2.17 0.02 2 265 63 83 ASN N N 116.002 0.20 1 266 64 84 MET H H 7.452 0.02 1 267 64 84 MET HA H 3.66 0.02 1 268 64 84 MET HB2 H 1.77 0.02 2 269 64 84 MET HB3 H 1.53 0.02 2 270 64 84 MET HG2 H 2.2 0.02 2 271 64 84 MET N N 118.707 0.20 1 272 65 85 ASN H H 8.152 0.02 1 273 65 85 ASN HA H 4.401 0.02 1 274 65 85 ASN N N 114.561 0.20 1 275 66 86 ARG H H 7.98 0.02 1 276 66 86 ARG HA H 4.2 0.02 1 277 66 86 ARG HB2 H 1.47 0.02 2 278 66 86 ARG N N 117.652 0.20 1 279 67 87 TYR H H 7.289 0.02 1 280 67 87 TYR HA H 4.96 0.02 1 281 67 87 TYR HB2 H 3.12 0.02 2 282 67 87 TYR HB3 H 2.98 0.02 2 283 67 87 TYR N N 119.454 0.20 1 284 69 89 ASN H H 8.42 0.02 1 285 69 89 ASN HA H 4.72 0.02 1 286 69 89 ASN HB2 H 2.4 0.02 2 287 69 89 ASN N N 116.11 0.20 1 288 70 90 GLN H H 7.216 0.02 1 289 70 90 GLN HA H 4.6 0.02 1 290 70 90 GLN HB2 H 1.7 0.02 2 291 70 90 GLN HB3 H 2.04 0.02 2 292 70 90 GLN HG2 H 2.09 0.02 2 293 70 90 GLN N N 114.58 0.20 1 294 71 91 VAL H H 8.496 0.02 1 295 71 91 VAL HA H 4.83 0.02 1 296 71 91 VAL N N 111.639 0.20 1 297 72 92 TYR H H 8.32 0.02 1 298 72 92 TYR HA H 5.48 0.02 1 299 72 92 TYR HB2 H 2.55 0.02 2 300 72 92 TYR HB3 H 2.48 0.02 2 301 72 92 TYR N N 120.893 0.20 1 302 73 93 TYR H H 8.5 0.02 1 303 73 93 TYR HA H 4.83 0.02 1 304 73 93 TYR HB2 H 2.85 0.02 2 305 73 93 TYR HB3 H 2.58 0.02 2 306 73 93 TYR N N 111.6 0.20 1 307 74 94 ARG H H 7.952 0.02 1 308 74 94 ARG HA H 4.64 0.02 1 309 74 94 ARG HB2 H 1.83 0.02 2 310 74 94 ARG N N 120.497 0.20 1 311 76 96 VAL H H 8.488 0.02 1 312 76 96 VAL HA H 4.45 0.02 1 313 76 96 VAL HG2 H 0.96 0.02 2 314 76 96 VAL N N 119.147 0.20 1 315 77 97 ASP H H 8.181 0.02 1 316 77 97 ASP HA H 4.48 0.02 1 317 77 97 ASP HB2 H 2.98 0.02 2 318 77 97 ASP HB3 H 2.5 0.02 2 319 77 97 ASP N N 117.121 0.20 1 320 78 98 GLN H H 8.169 0.02 1 321 78 98 GLN HA H 4.12 0.02 1 322 78 98 GLN HB2 H 1.75 0.02 2 323 78 98 GLN N N 117.981 0.20 1 324 79 99 TYR H H 7.856 0.02 1 325 79 99 TYR HA H 4.81 0.02 1 326 79 99 TYR HB2 H 3.25 0.02 2 327 79 99 TYR HB3 H 3.0 0.02 2 328 79 99 TYR N N 117.001 0.20 1 329 80 100 ASN H H 8.872 0.02 1 330 80 100 ASN HA H 4.84 0.02 1 331 80 100 ASN HB2 H 2.94 0.02 2 332 80 100 ASN N N 117.491 0.20 1 333 81 101 ASN H H 7.609 0.02 1 334 81 101 ASN HA H 4.75 0.02 1 335 81 101 ASN HB2 H 3.23 0.02 2 336 81 101 ASN HB3 H 3.06 0.02 2 337 81 101 ASN N N 113.672 0.20 1 338 82 102 GLN H H 8.631 0.02 1 339 82 102 GLN HA H 2.98 0.02 1 340 82 102 GLN N N 121.317 0.20 1 341 83 103 ASN H H 8.369 0.02 1 342 83 103 ASN HA H 4.36 0.02 1 343 83 103 ASN HB2 H 2.9 0.02 2 344 83 103 ASN HB3 H 2.7 0.02 2 345 83 103 ASN N N 117.516 0.20 1 346 84 104 ASN H H 8.455 0.02 1 347 84 104 ASN HA H 4.54 0.02 1 348 84 104 ASN HB2 H 3.15 0.02 2 349 84 104 ASN HB3 H 2.95 0.02 2 350 84 104 ASN N N 118.478 0.20 1 351 85 105 PHE H H 7.26 0.02 1 352 85 105 PHE HA H 2.96 0.02 1 353 85 105 PHE HB2 H 2.51 0.02 2 354 85 105 PHE N N 121.305 0.20 1 355 86 106 VAL H H 8.778 0.02 1 356 86 106 VAL HA H 3.34 0.02 1 357 86 106 VAL HB H 2.21 0.02 1 358 86 106 VAL HG2 H 1.04 0.02 2 359 86 106 VAL N N 120.153 0.20 1 360 87 107 HIS H H 8.35 0.02 1 361 87 107 HIS HA H 4.42 0.02 1 362 87 107 HIS HB2 H 3.81 0.02 2 363 87 107 HIS N N 116.834 0.20 1 364 88 108 ASP H H 7.65 0.02 1 365 88 108 ASP HA H 4.58 0.02 1 366 88 108 ASP HB2 H 2.95 0.02 2 367 88 108 ASP HB3 H 3.38 0.02 2 368 88 108 ASP N N 118.8 0.20 1 369 89 109 CYS H H 8.105 0.02 1 370 89 109 CYS HA H 4.65 0.02 1 371 89 109 CYS HB2 H 3.3 0.02 2 372 89 109 CYS HB3 H 2.89 0.02 2 373 89 109 CYS N N 119.439 0.20 1 374 90 110 VAL H H 9.108 0.02 1 375 90 110 VAL HA H 3.63 0.02 1 376 90 110 VAL HB H 2.16 0.02 1 377 90 110 VAL HG1 H 1.01 0.02 2 378 90 110 VAL HG2 H 1.12 0.02 2 379 90 110 VAL N N 125.0 0.20 1 380 91 111 ASN H H 7.688 0.02 1 381 91 111 ASN HA H 4.33 0.02 1 382 91 111 ASN HB2 H 2.81 0.02 2 383 91 111 ASN N N 116.806 0.20 1 384 92 112 ILE H H 8.727 0.02 1 385 92 112 ILE HA H 3.69 0.02 1 386 92 112 ILE HB H 1.57 0.02 1 387 92 112 ILE N N 118.927 0.20 1 388 93 113 THR H H 8.18 0.02 1 389 93 113 THR HA H 4.11 0.02 1 390 93 113 THR HB H 4.45 0.02 1 391 93 113 THR HG2 H 1.5 0.02 1 392 93 113 THR N N 118.197 0.20 1 393 94 114 ILE H H 8.55 0.02 1 394 94 114 ILE HA H 3.7 0.02 1 395 94 114 ILE HB H 2.09 0.02 1 396 94 114 ILE HD1 H 0.81 0.02 1 397 94 114 ILE HG12 H 1.21 0.02 1 398 94 114 ILE HG13 H 1.84 0.02 1 399 94 114 ILE HG2 H 0.93 0.02 2 400 94 114 ILE HG2 H 0.83 0.02 2 401 94 114 ILE N N 120.461 0.20 1 402 95 115 LYS H H 8.052 0.02 1 403 95 115 LYS HA H 4.0 0.02 1 404 95 115 LYS HB2 H 2.03 0.02 2 405 95 115 LYS HB3 H 1.88 0.02 2 406 95 115 LYS HG2 H 1.52 0.02 2 407 95 115 LYS N N 122.335 0.20 1 408 96 116 GLN H H 8.195 0.02 1 409 96 116 GLN HA H 4.01 0.02 1 410 96 116 GLN HB2 H 1.99 0.02 2 411 96 116 GLN HB3 H 1.87 0.02 2 412 96 116 GLN HG2 H 2.07 0.02 2 413 96 116 GLN HG3 H 1.48 0.02 2 414 96 116 GLN N N 115.887 0.20 1 415 97 117 HIS H H 7.918 0.02 1 416 97 117 HIS HA H 4.65 0.02 1 417 97 117 HIS HB2 H 3.44 0.02 2 418 97 117 HIS HB3 H 3.25 0.02 2 419 97 117 HIS N N 115.978 0.20 1 420 98 118 THR H H 8.018 0.02 1 421 98 118 THR HA H 4.36 0.02 1 422 98 118 THR HB H 4.7 0.02 1 423 98 118 THR HG2 H 1.2 0.02 1 424 98 118 THR N N 112.559 0.20 1 425 99 119 VAL H H 7.911 0.02 1 426 99 119 VAL HA H 4.14 0.02 1 427 99 119 VAL HB H 2.18 0.02 1 428 99 119 VAL HG1 H 0.95 0.02 2 429 99 119 VAL HG2 H 0.95 0.02 2 430 99 119 VAL N N 121.555 0.20 1 431 100 120 THR H H 8.009 0.02 1 432 100 120 THR HA H 4.33 0.02 1 433 100 120 THR HG2 H 1.2 0.02 1 434 100 120 THR N N 115.505 0.20 1 435 101 121 THR H H 7.974 0.02 1 436 101 121 THR HA H 4.28 0.02 1 437 101 121 THR HG2 H 1.15 0.02 1 438 101 121 THR N N 115.089 0.20 1 439 102 122 THR H H 8.101 0.02 1 440 102 122 THR HA H 4.32 0.02 1 441 102 122 THR HG2 H 1.18 0.02 1 442 102 122 THR N N 115.372 0.20 1 443 103 123 THR H H 7.991 0.02 1 444 103 123 THR HA H 4.27 0.02 1 445 103 123 THR HB H 4.37 0.02 1 446 103 123 THR HG2 H 1.22 0.02 1 447 103 123 THR N N 115.642 0.20 1 448 104 124 LYS H H 8.088 0.02 1 449 104 124 LYS HA H 4.36 0.02 1 450 104 124 LYS HB2 H 1.86 0.02 2 451 104 124 LYS HE2 H 3.38 0.02 2 452 104 124 LYS HG2 H 1.54 0.02 2 453 104 124 LYS N N 121.976 0.20 1 454 105 125 GLY H H 8.229 0.02 1 455 105 125 GLY HA2 H 4.3 0.02 2 456 105 125 GLY HA3 H 3.9 0.02 2 457 105 125 GLY N N 109.631 0.20 1 458 106 126 GLU H H 7.899 0.02 1 459 106 126 GLU HA H 4.3 0.02 1 460 106 126 GLU HB2 H 1.8 0.02 2 461 106 126 GLU HG2 H 2.35 0.02 2 462 106 126 GLU HG3 H 2.21 0.02 2 463 106 126 GLU N N 119.666 0.20 1 464 107 127 ASN H H 8.42 0.02 1 465 107 127 ASN HA H 4.66 0.02 1 466 107 127 ASN HB2 H 2.75 0.02 2 467 107 127 ASN N N 119.6 0.20 1 468 108 128 PHE H H 8.43 0.02 1 469 108 128 PHE HA H 5.14 0.02 1 470 108 128 PHE HB2 H 3.0 0.02 2 471 108 128 PHE N N 121.1 0.20 1 472 109 129 THR H H 9.385 0.02 1 473 109 129 THR HA H 4.61 0.02 1 474 109 129 THR HG2 H 1.4 0.02 1 475 109 129 THR N N 115.639 0.20 1 476 110 130 GLU H H 9.006 0.02 1 477 110 130 GLU HA H 4.1 0.02 1 478 110 130 GLU HB2 H 2.13 0.02 2 479 110 130 GLU HB3 H 1.99 0.02 2 480 110 130 GLU HG2 H 2.42 0.02 2 481 110 130 GLU N N 119.892 0.20 1 482 111 131 THR H H 7.908 0.02 1 483 111 131 THR HA H 3.8 0.02 1 484 111 131 THR HB H 3.8 0.02 1 485 111 131 THR HG2 H 0.8 0.02 1 486 111 131 THR N N 116.11 0.20 1 487 112 132 ASP H H 7.537 0.02 1 488 112 132 ASP HA H 4.53 0.02 1 489 112 132 ASP HB2 H 2.58 0.02 2 490 112 132 ASP HB3 H 3.27 0.02 2 491 112 132 ASP N N 119.592 0.20 1 492 113 133 ILE H H 8.13 0.02 1 493 113 133 ILE N N 119.8 0.20 1 494 114 134 LYS H H 7.887 0.02 1 495 114 134 LYS HA H 4.04 0.02 1 496 114 134 LYS HB2 H 2.25 0.02 2 497 114 134 LYS HD2 H 1.81 0.02 2 498 114 134 LYS HG2 H 1.6 0.02 2 499 114 134 LYS N N 119.708 0.20 1 500 115 135 ILE H H 7.968 0.02 1 501 115 135 ILE N N 120.044 0.20 1 502 116 136 MET H H 8.809 0.02 1 503 116 136 MET HA H 3.57 0.02 1 504 116 136 MET HB2 H 2.15 0.02 2 505 116 136 MET HB3 H 1.9 0.02 2 506 116 136 MET N N 119.3 0.20 1 507 117 137 GLU H H 8.521 0.02 1 508 117 137 GLU N N 117.5 0.20 1 509 118 138 ARG H H 7.238 0.02 1 510 118 138 ARG HA H 4.15 0.02 1 511 118 138 ARG HB2 H 2.09 0.02 2 512 118 138 ARG N N 117.461 0.20 1 513 119 139 VAL H H 8.444 0.02 1 514 119 139 VAL N N 120.706 0.20 1 515 120 140 VAL H H 9.098 0.02 1 516 120 140 VAL HA H 3.67 0.02 1 517 120 140 VAL HB H 2.15 0.02 1 518 120 140 VAL HG2 H 1.02 0.02 2 519 120 140 VAL N N 119.78 0.20 1 520 121 141 GLU H H 8.087 0.02 1 521 121 141 GLU HA H 3.63 0.02 1 522 121 141 GLU HB2 H 2.31 0.02 2 523 121 141 GLU HG2 H 2.11 0.02 2 524 121 141 GLU N N 121.667 0.20 1 525 122 142 GLN H H 7.55 0.02 1 526 122 142 GLN N N 120.378 0.20 1 527 123 143 MET H H 8.365 0.02 1 528 123 143 MET N N 120.425 0.20 1 529 124 144 CYS H H 9.406 0.02 1 530 124 144 CYS N N 118.098 0.20 1 531 125 145 THR H H 8.134 0.02 1 532 125 145 THR HA H 3.85 0.02 1 533 125 145 THR HB H 4.53 0.02 1 534 125 145 THR HG2 H 1.25 0.02 1 535 125 145 THR N N 119.777 0.20 1 536 126 146 THR H H 8.255 0.02 1 537 126 146 THR N N 120.972 0.20 1 538 127 147 GLN H H 8.625 0.02 1 539 127 147 GLN N N 122.265 0.20 1 540 128 148 TYR H H 8.37 0.02 1 541 128 148 TYR HA H 2.96 0.02 1 542 128 148 TYR HB2 H 3.02 0.02 2 543 128 148 TYR HB3 H 2.85 0.02 2 544 128 148 TYR N N 119.171 0.20 1 545 129 149 GLN H H 7.926 0.02 1 546 129 149 GLN N N 119.602 0.20 1 547 130 150 LYS H H 7.964 0.02 1 548 130 150 LYS N N 118.69 0.20 1 549 131 151 GLU H H 8.114 0.02 1 550 131 151 GLU N N 117.0 0.20 1 551 132 152 SER H H 8.196 0.02 1 552 132 152 SER N N 115.142 0.20 1 553 133 153 GLN H H 7.624 0.02 1 554 133 153 GLN N N 120.664 0.20 1 555 134 154 ALA H H 7.599 0.02 1 556 134 154 ALA N N 121.264 0.20 1 557 135 155 TYR H H 7.861 0.02 1 558 135 155 TYR N N 118.511 0.20 1 559 136 156 TYR H H 8.042 0.02 1 560 136 156 TYR HA H 4.32 0.02 1 561 136 156 TYR N N 119.492 0.20 1 562 137 157 ASP H H 8.142 0.02 1 563 137 157 ASP N N 120.213 0.20 1 564 138 158 GLY H H 7.832 0.02 1 565 138 158 GLY N N 108.049 0.20 1 566 139 159 ARG H H 7.849 0.02 1 567 139 159 ARG HA H 4.3 0.02 1 568 139 159 ARG N N 120.018 0.20 1 569 140 160 ARG H H 8.383 0.02 1 570 140 160 ARG N N 122.723 0.20 1 571 141 161 SER H H 7.951 0.02 1 572 141 161 SER N N 122.225 0.20 1 stop_ save_ save_assigned_chem_shift_list_3 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNHA' '3D 1H-15N TOCSY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_3 stop_ _Sample_conditions_label $sample_conditions_3 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name shPrP(90-232) _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 1 21 GLN HA H 4.37 0.02 1 2 1 21 GLN HB2 H 1.98 0.02 2 3 1 21 GLN HB3 H 2.04 0.02 2 4 1 21 GLN HG2 H 2.34 0.02 2 5 1 21 GLN HG3 H 2.13 0.02 2 6 1 21 GLN N N 119.662 0.20 1 7 2 22 GLY H H 8.597 0.02 1 8 2 22 GLY HA2 H 4.01 0.02 2 9 2 22 GLY N N 110.788 0.20 1 10 3 23 GLY H H 8.329 0.02 1 11 3 23 GLY HA2 H 3.93 0.02 2 12 3 23 GLY N N 108.498 0.20 1 13 4 24 GLY H H 8.257 0.02 1 14 4 24 GLY HA2 H 3.85 0.02 2 15 4 24 GLY N N 108.838 0.20 1 16 5 25 THR H H 8.041 0.02 1 17 5 25 THR HA H 4.25 0.02 1 18 5 25 THR HB H 4.11 0.02 1 19 5 25 THR HG2 H 1.12 0.02 1 20 5 25 THR N N 113.136 0.20 1 21 6 26 HIS H H 8.577 0.02 1 22 6 26 HIS HA H 4.71 0.02 1 23 6 26 HIS HB2 H 3.2 0.02 2 24 6 26 HIS N N 120.332 0.20 1 25 7 27 ASN H H 8.372 0.02 1 26 7 27 ASN HA H 4.6 0.02 1 27 7 27 ASN HB2 H 2.63 0.02 2 28 7 27 ASN N N 119.847 0.20 1 29 8 28 GLN H H 8.331 0.02 1 30 8 28 GLN HA H 4.21 0.02 1 31 8 28 GLN HB2 H 2.0 0.02 2 32 8 28 GLN HB3 H 1.81 0.02 2 33 8 28 GLN HG2 H 2.17 0.02 2 34 8 28 GLN N N 120.587 0.20 1 35 9 29 TRP H H 8.088 0.02 1 36 9 29 TRP HA H 4.66 0.02 1 37 9 29 TRP HB2 H 3.25 0.02 2 38 9 29 TRP N N 121.821 0.20 1 39 10 30 ASN H H 8.089 0.02 1 40 10 30 ASN HA H 4.66 0.02 1 41 10 30 ASN HB2 H 2.6 0.02 2 42 10 30 ASN N N 120.486 0.20 1 43 11 31 LYS H H 7.995 0.02 1 44 11 31 LYS HA H 4.46 0.02 1 45 11 31 LYS HB2 H 1.65 0.02 2 46 11 31 LYS HB3 H 1.81 0.02 2 47 11 31 LYS HG2 H 1.34 0.02 2 48 11 31 LYS HG3 H 1.5 0.02 2 49 11 31 LYS N N 122.76 0.20 1 50 13 33 SER H H 8.335 0.02 1 51 13 33 SER HA H 4.48 0.02 1 52 13 33 SER HB2 H 3.87 0.02 2 53 13 33 SER N N 117.421 0.20 1 54 14 34 LYS H H 8.293 0.02 1 55 14 34 LYS HA H 4.6 0.02 1 56 14 34 LYS HB2 H 1.72 0.02 2 57 14 34 LYS HB3 H 1.84 0.02 2 58 14 34 LYS HG2 H 1.44 0.02 2 59 14 34 LYS N N 124.181 0.20 1 60 16 36 LYS H H 8.426 0.02 1 61 16 36 LYS HA H 4.3 0.02 1 62 16 36 LYS HB2 H 1.78 0.02 2 63 16 36 LYS HG2 H 1.5 0.02 2 64 16 36 LYS N N 121.973 0.20 1 65 17 37 THR H H 8.082 0.02 1 66 17 37 THR HA H 4.35 0.02 1 67 17 37 THR HB H 4.17 0.02 1 68 17 37 THR HG2 H 1.16 0.02 1 69 17 37 THR N N 115.155 0.20 1 70 18 38 ASN H H 8.507 0.02 1 71 18 38 ASN HA H 4.71 0.02 1 72 18 38 ASN HB2 H 2.77 0.02 2 73 18 38 ASN N N 121.499 0.20 1 74 19 39 MET H H 8.322 0.02 1 75 19 39 MET HA H 4.39 0.02 1 76 19 39 MET HB2 H 1.98 0.02 2 77 19 39 MET HG2 H 2.6 0.02 2 78 19 39 MET HG3 H 2.43 0.02 2 79 19 39 MET N N 121.502 0.20 1 80 20 40 LYS H H 8.257 0.02 1 81 20 40 LYS HA H 4.28 0.02 1 82 20 40 LYS HB2 H 1.78 0.02 2 83 20 40 LYS HD2 H 1.41 0.02 2 84 20 40 LYS HG2 H 1.71 0.02 2 85 20 40 LYS N N 122.357 0.20 1 86 21 41 HIS H H 8.521 0.02 1 87 21 41 HIS HA H 4.67 0.02 1 88 21 41 HIS HB2 H 3.17 0.02 2 89 21 41 HIS N N 120.104 0.20 1 90 22 42 MET H H 8.411 0.02 1 91 22 42 MET HA H 4.47 0.02 1 92 22 42 MET HB2 H 1.99 0.02 2 93 22 42 MET HG2 H 2.52 0.02 2 94 22 42 MET N N 122.9 0.20 1 95 23 43 ALA H H 8.389 0.02 1 96 23 43 ALA HA H 4.31 0.02 1 97 23 43 ALA HB H 1.39 0.02 1 98 23 43 ALA N N 125.946 0.20 1 99 24 44 GLY H H 8.359 0.02 1 100 24 44 GLY HA2 H 3.94 0.02 2 101 24 44 GLY N N 108.893 0.20 1 102 25 45 ALA H H 8.122 0.02 1 103 25 45 ALA HA H 4.28 0.02 1 104 25 45 ALA HB H 1.36 0.02 1 105 25 45 ALA N N 123.905 0.20 1 106 26 46 ALA H H 8.244 0.02 1 107 26 46 ALA HA H 4.4 0.02 1 108 26 46 ALA HB H 1.39 0.02 1 109 26 46 ALA N N 123.355 0.20 1 110 27 47 ALA H H 8.185 0.02 1 111 27 47 ALA HA H 4.29 0.02 1 112 27 47 ALA HB H 1.37 0.02 1 113 27 47 ALA N N 123.382 0.20 1 114 28 48 ALA H H 8.288 0.02 1 115 28 48 ALA HA H 4.33 0.02 1 116 28 48 ALA HB H 1.59 0.02 1 117 28 48 ALA N N 123.467 0.20 1 118 29 49 GLY H H 8.233 0.02 1 119 29 49 GLY HA2 H 3.9 0.02 2 120 29 49 GLY N N 107.938 0.20 1 121 30 50 ALA H H 8.025 0.02 1 122 30 50 ALA HA H 4.34 0.02 1 123 30 50 ALA HB H 1.35 0.02 1 124 30 50 ALA N N 123.608 0.20 1 125 31 51 VAL H H 8.087 0.02 1 126 31 51 VAL HA H 4.11 0.02 1 127 31 51 VAL HB H 2.01 0.02 1 128 31 51 VAL HG2 H 0.88 0.02 2 129 31 51 VAL N N 119.761 0.20 1 130 32 52 VAL H H 8.216 0.02 1 131 32 52 VAL HA H 4.09 0.02 1 132 32 52 VAL HB H 2.02 0.02 1 133 32 52 VAL HG2 H 0.9 0.02 2 134 32 52 VAL N N 124.681 0.20 1 135 33 53 GLY H H 8.486 0.02 1 136 33 53 GLY HA2 H 3.93 0.02 2 137 33 53 GLY N N 113.088 0.20 1 138 34 54 GLY H H 8.214 0.02 1 139 34 54 GLY HA2 H 3.94 0.02 2 140 34 54 GLY N N 108.44 0.20 1 141 35 55 LEU H H 8.207 0.02 1 142 35 55 LEU HA H 4.36 0.02 1 143 35 55 LEU HB2 H 1.58 0.02 2 144 35 55 LEU HG H 1.44 0.02 1 145 35 55 LEU N N 121.741 0.20 1 146 36 56 GLY H H 8.491 0.02 1 147 36 56 GLY HA2 H 3.97 0.02 2 148 36 56 GLY N N 110.005 0.20 1 149 37 57 GLY H H 8.297 0.02 1 150 37 57 GLY HA2 H 3.98 0.02 2 151 37 57 GLY N N 108.734 0.20 1 152 38 58 TYR H H 7.727 0.02 1 153 38 58 TYR HA H 4.44 0.02 1 154 38 58 TYR HB2 H 2.86 0.02 2 155 38 58 TYR N N 117.885 0.20 1 156 39 59 MET H H 8.974 0.02 1 157 39 59 MET HA H 4.52 0.02 1 158 39 59 MET HB2 H 1.6 0.02 2 159 39 59 MET HB3 H 1.26 0.02 2 160 39 59 MET HG2 H 2.48 0.02 2 161 39 59 MET HG3 H 2.05 0.02 2 162 39 59 MET N N 121.171 0.20 1 163 40 60 LEU H H 8.077 0.02 1 164 40 60 LEU HA H 4.67 0.02 1 165 40 60 LEU HB2 H 1.06 0.02 2 166 40 60 LEU HB3 H 1.58 0.02 2 167 40 60 LEU HD1 H 0.64 0.02 2 168 40 60 LEU HD2 H 0.064 0.02 2 169 40 60 LEU N N 121.413 0.20 1 170 41 61 GLY H H 9.181 0.02 1 171 41 61 GLY HA2 H 4.34 0.02 2 172 41 61 GLY HA3 H 3.93 0.02 2 173 41 61 GLY N N 114.343 0.20 1 174 42 62 SER H H 8.24 0.02 1 175 42 62 SER HA H 4.4 0.02 1 176 42 62 SER HB2 H 3.92 0.02 2 177 42 62 SER N N 113.842 0.20 1 178 43 63 ALA H H 8.661 0.02 1 179 43 63 ALA HA H 4.33 0.02 1 180 43 63 ALA HB H 1.25 0.02 1 181 43 63 ALA N N 125.557 0.20 1 182 44 64 MET H H 8.689 0.02 1 183 44 64 MET HA H 4.65 0.02 1 184 44 64 MET HB2 H 1.99 0.02 2 185 44 64 MET N N 121.433 0.20 1 186 45 65 SER H H 8.332 0.02 1 187 45 65 SER HA H 4.31 0.02 1 188 45 65 SER HB2 H 3.8 0.02 2 189 45 65 SER N N 116.132 0.20 1 190 46 66 ARG H H 8.574 0.02 1 191 46 66 ARG HA H 4.42 0.02 1 192 46 66 ARG HB2 H 1.8 0.02 2 193 46 66 ARG HD2 H 3.15 0.02 2 194 46 66 ARG HG2 H 1.64 0.02 2 195 46 66 ARG N N 125.826 0.20 1 196 48 68 MET H H 8.649 0.02 1 197 48 68 MET HA H 4.7 0.02 1 198 48 68 MET HB2 H 1.98 0.02 2 199 48 68 MET HG2 H 2.61 0.02 2 200 48 68 MET N N 122.459 0.20 1 201 49 69 MET H H 7.34 0.02 1 202 49 69 MET HA H 4.32 0.02 1 203 49 69 MET HB2 H 1.08 0.02 2 204 49 69 MET HG2 H 1.93 0.02 2 205 49 69 MET HG3 H 1.75 0.02 2 206 49 69 MET N N 121.818 0.20 1 207 50 70 HIS H H 8.128 0.02 1 208 50 70 HIS HA H 4.9 0.02 1 209 50 70 HIS HB2 H 3.2 0.02 2 210 50 70 HIS HB3 H 2.91 0.02 2 211 50 70 HIS N N 118.418 0.20 1 212 51 71 PHE H H 10.273 0.02 1 213 51 71 PHE HA H 4.36 0.02 1 214 51 71 PHE HB2 H 2.8 0.02 2 215 51 71 PHE HB3 H 2.68 0.02 2 216 51 71 PHE N N 123.198 0.20 1 217 52 72 GLY H H 8.961 0.02 1 218 52 72 GLY HA2 H 4.11 0.02 2 219 52 72 GLY HA3 H 3.74 0.02 2 220 52 72 GLY N N 109.466 0.20 1 221 53 73 ASN H H 7.16 0.02 1 222 53 73 ASN HA H 4.86 0.02 1 223 53 73 ASN HB2 H 2.75 0.02 2 224 53 73 ASN N N 114.961 0.20 1 225 54 74 ASP H H 9.006 0.02 1 226 54 74 ASP HA H 4.48 0.02 1 227 54 74 ASP HB2 H 2.8 0.02 2 228 54 74 ASP N N 123.463 0.20 1 229 55 75 TRP H H 8.406 0.02 1 230 55 75 TRP HA H 4.28 0.02 1 231 55 75 TRP HB2 H 2.81 0.02 2 232 55 75 TRP HB3 H 3.42 0.02 2 233 55 75 TRP N N 120.33 0.20 1 234 56 76 GLU H H 8.143 0.02 1 235 56 76 GLU HA H 3.38 0.02 1 236 56 76 GLU N N 121.845 0.20 1 237 57 77 ASP H H 7.968 0.02 1 238 57 77 ASP HA H 4.55 0.02 1 239 57 77 ASP HB2 H 2.96 0.02 2 240 57 77 ASP N N 120.044 0.20 1 241 58 78 ARG H H 7.967 0.02 1 242 58 78 ARG HA H 3.94 0.02 1 243 58 78 ARG N N 120.229 0.20 1 244 59 79 TYR H H 8.289 0.02 1 245 59 79 TYR HA H 3.83 0.02 1 246 59 79 TYR N N 121.246 0.20 1 247 60 80 TYR H H 8.835 0.02 1 248 60 80 TYR HA H 4.17 0.02 1 249 60 80 TYR HB2 H 2.6 0.02 2 250 60 80 TYR HB3 H 2.69 0.02 2 251 60 80 TYR N N 119.715 0.20 1 252 61 81 ARG H H 7.728 0.02 1 253 61 81 ARG HA H 3.7 0.02 1 254 61 81 ARG HB2 H 1.91 0.02 2 255 61 81 ARG HG2 H 1.71 0.02 2 256 61 81 ARG N N 116.853 0.20 1 257 62 82 GLU H H 7.832 0.02 1 258 62 82 GLU HA H 4.04 0.02 1 259 62 82 GLU HB2 H 1.88 0.02 2 260 62 82 GLU HB3 H 1.71 0.02 2 261 62 82 GLU HG2 H 2.4 0.02 2 262 62 82 GLU HG3 H 2.19 0.02 2 263 62 82 GLU N N 115.345 0.20 1 264 63 83 ASN H H 7.486 0.02 1 265 63 83 ASN HA H 4.6 0.02 1 266 63 83 ASN HB2 H 2.2 0.02 2 267 63 83 ASN HB3 H 2.44 0.02 2 268 63 83 ASN N N 116.007 0.20 1 269 64 84 MET H H 7.48 0.02 1 270 64 84 MET HA H 3.8 0.02 1 271 64 84 MET HB2 H 1.77 0.02 2 272 64 84 MET HB3 H 1.53 0.02 2 273 64 84 MET HG2 H 2.45 0.02 2 274 64 84 MET HG3 H 2.2 0.02 2 275 64 84 MET N N 118.9 0.20 1 276 65 85 ASN H H 8.152 0.02 1 277 65 85 ASN HA H 4.401 0.02 1 278 65 85 ASN HB2 H 3.81 0.02 2 279 65 85 ASN N N 115.4 0.20 1 280 66 86 ARG H H 7.98 0.02 1 281 66 86 ARG HA H 4.16 0.02 1 282 66 86 ARG HB2 H 1.47 0.02 2 283 66 86 ARG N N 117.652 0.20 1 284 67 87 TYR H H 7.289 0.02 1 285 67 87 TYR HA H 4.96 0.02 1 286 67 87 TYR HB2 H 3.06 0.02 2 287 67 87 TYR HB3 H 2.98 0.02 2 288 67 87 TYR N N 119.454 0.20 1 289 69 89 ASN H H 8.42 0.02 1 290 69 89 ASN HA H 4.72 0.02 1 291 69 89 ASN HB2 H 2.4 0.02 2 292 69 89 ASN N N 116.11 0.20 1 293 70 90 GLN H H 7.216 0.02 1 294 70 90 GLN HA H 4.6 0.02 1 295 70 90 GLN HB2 H 1.7 0.02 2 296 70 90 GLN HB3 H 2.04 0.02 2 297 70 90 GLN HG2 H 2.09 0.02 2 298 70 90 GLN N N 114.58 0.20 1 299 71 91 VAL H H 8.411 0.02 1 300 71 91 VAL HA H 4.83 0.02 1 301 71 91 VAL N N 113.397 0.20 1 302 72 92 TYR H H 8.32 0.02 1 303 72 92 TYR HA H 5.48 0.02 1 304 72 92 TYR HB2 H 2.55 0.02 2 305 72 92 TYR HB3 H 2.46 0.02 2 306 72 92 TYR N N 120.893 0.20 1 307 73 93 TYR H H 8.499 0.02 1 308 73 93 TYR HA H 4.81 0.02 1 309 73 93 TYR HB2 H 2.85 0.02 2 310 73 93 TYR HB3 H 2.58 0.02 2 311 73 93 TYR N N 111.632 0.20 1 312 74 94 ARG H H 7.952 0.02 1 313 74 94 ARG HA H 4.64 0.02 1 314 74 94 ARG HB2 H 1.83 0.02 2 315 74 94 ARG N N 120.497 0.20 1 316 76 96 VAL H H 8.5 0.02 1 317 76 96 VAL HA H 4.45 0.02 1 318 76 96 VAL HG2 H 0.96 0.02 2 319 76 96 VAL N N 119.072 0.20 1 320 77 97 ASP H H 8.181 0.02 1 321 77 97 ASP HA H 4.48 0.02 1 322 77 97 ASP HB2 H 2.98 0.02 2 323 77 97 ASP HB3 H 2.5 0.02 2 324 77 97 ASP N N 117.121 0.20 1 325 78 98 GLN H H 8.155 0.02 1 326 78 98 GLN HA H 4.12 0.02 1 327 78 98 GLN HB2 H 1.75 0.02 2 328 78 98 GLN N N 117.861 0.20 1 329 79 99 TYR H H 7.856 0.02 1 330 79 99 TYR HA H 4.81 0.02 1 331 79 99 TYR HB2 H 3.25 0.02 2 332 79 99 TYR HB3 H 3.0 0.02 2 333 79 99 TYR N N 117.001 0.20 1 334 80 100 ASN H H 8.872 0.02 1 335 80 100 ASN HA H 4.83 0.02 1 336 80 100 ASN HB2 H 2.94 0.02 2 337 80 100 ASN N N 117.491 0.20 1 338 81 101 ASN H H 7.609 0.02 1 339 81 101 ASN HA H 4.75 0.02 1 340 81 101 ASN HB2 H 3.23 0.02 2 341 81 101 ASN HB3 H 3.06 0.02 2 342 81 101 ASN N N 113.672 0.20 1 343 82 102 GLN H H 8.7 0.02 1 344 82 102 GLN HA H 3.2 0.02 1 345 82 102 GLN HB2 H 1.976 0.02 2 346 82 102 GLN N N 121.5 0.20 1 347 83 103 ASN H H 8.378 0.02 1 348 83 103 ASN HA H 4.42 0.02 1 349 83 103 ASN HB2 H 2.9 0.02 2 350 83 103 ASN HB3 H 2.77 0.02 2 351 83 103 ASN N N 117.407 0.20 1 352 84 104 ASN H H 8.457 0.02 1 353 84 104 ASN HA H 4.54 0.02 1 354 84 104 ASN HB2 H 3.15 0.02 2 355 84 104 ASN HB3 H 2.95 0.02 2 356 84 104 ASN N N 118.489 0.20 1 357 85 105 PHE H H 7.26 0.02 1 358 85 105 PHE HA H 2.96 0.02 1 359 85 105 PHE HB2 H 2.51 0.02 2 360 85 105 PHE N N 121.305 0.20 1 361 86 106 VAL H H 8.778 0.02 1 362 86 106 VAL HA H 3.34 0.02 1 363 86 106 VAL HB H 2.09 0.02 1 364 86 106 VAL HG2 H 0.08 0.02 2 365 86 106 VAL N N 120.153 0.20 1 366 87 107 HIS H H 8.429 0.02 1 367 87 107 HIS HA H 4.42 0.02 1 368 87 107 HIS HB2 H 3.21 0.02 2 369 87 107 HIS N N 116.834 0.20 1 370 88 108 ASP H H 7.646 0.02 1 371 88 108 ASP HA H 4.57 0.02 1 372 88 108 ASP HB2 H 2.95 0.02 2 373 88 108 ASP HB3 H 3.38 0.02 2 374 88 108 ASP N N 118.885 0.20 1 375 89 109 CYS H H 8.01 0.02 1 376 89 109 CYS HA H 4.38 0.02 1 377 89 109 CYS HB2 H 2.95 0.02 2 378 89 109 CYS HB3 H 2.95 0.02 2 379 89 109 CYS N N 119.439 0.20 1 380 90 110 VAL H H 9.108 0.02 1 381 90 110 VAL HA H 3.63 0.02 1 382 90 110 VAL HB H 2.16 0.02 1 383 90 110 VAL HG1 H 1.01 0.02 2 384 90 110 VAL HG2 H 1.12 0.02 2 385 90 110 VAL N N 125.0 0.20 1 386 91 111 ASN H H 7.69 0.02 1 387 91 111 ASN HA H 4.29 0.02 1 388 91 111 ASN HB2 H 2.87 0.02 2 389 91 111 ASN N N 116.806 0.20 1 390 92 112 ILE H H 8.722 0.02 1 391 92 112 ILE HA H 3.71 0.02 1 392 92 112 ILE HB H 1.57 0.02 1 393 92 112 ILE N N 118.924 0.20 1 394 93 113 THR H H 8.184 0.02 1 395 93 113 THR HA H 4.14 0.02 1 396 93 113 THR HB H 4.45 0.02 1 397 93 113 THR HG2 H 1.5 0.02 1 398 93 113 THR N N 118.1 0.20 1 399 94 114 ILE H H 8.539 0.02 1 400 94 114 ILE HA H 3.74 0.02 1 401 94 114 ILE HB H 2.09 0.02 1 402 94 114 ILE HD1 H 0.81 0.02 1 403 94 114 ILE HG12 H 1.21 0.02 1 404 94 114 ILE HG13 H 1.84 0.02 1 405 94 114 ILE HG2 H 0.93 0.02 2 406 94 114 ILE HG2 H 0.91 0.02 2 407 94 114 ILE N N 120.461 0.20 1 408 95 115 LYS H H 8.0 0.02 1 409 95 115 LYS HA H 4.0 0.02 1 410 95 115 LYS HB2 H 2.03 0.02 2 411 95 115 LYS HB3 H 1.88 0.02 2 412 95 115 LYS HG2 H 1.52 0.02 2 413 95 115 LYS N N 122.335 0.20 1 414 96 116 GLN H H 8.195 0.02 1 415 96 116 GLN HA H 4.01 0.02 1 416 96 116 GLN HB2 H 1.99 0.02 2 417 96 116 GLN HB3 H 1.87 0.02 2 418 96 116 GLN HG2 H 2.07 0.02 2 419 96 116 GLN HG3 H 1.48 0.02 2 420 96 116 GLN N N 115.887 0.20 1 421 97 117 HIS H H 7.918 0.02 1 422 97 117 HIS HA H 4.65 0.02 1 423 97 117 HIS HB2 H 3.44 0.02 2 424 97 117 HIS HB3 H 3.25 0.02 2 425 97 117 HIS N N 115.978 0.20 1 426 98 118 THR H H 8.021 0.02 1 427 98 118 THR HA H 4.36 0.02 1 428 98 118 THR HB H 4.7 0.02 1 429 98 118 THR HG2 H 1.2 0.02 1 430 98 118 THR N N 112.573 0.20 1 431 99 119 VAL H H 7.911 0.02 1 432 99 119 VAL HA H 4.14 0.02 1 433 99 119 VAL HB H 2.18 0.02 1 434 99 119 VAL HG1 H 0.95 0.02 2 435 99 119 VAL HG2 H 0.95 0.02 2 436 99 119 VAL N N 121.555 0.20 1 437 100 120 THR H H 8.02 0.02 1 438 100 120 THR HA H 4.36 0.02 1 439 100 120 THR HG2 H 1.2 0.02 1 440 100 120 THR N N 115.372 0.20 1 441 101 121 THR H H 7.974 0.02 1 442 101 121 THR HA H 4.32 0.02 1 443 101 121 THR HB H 4.12 0.02 1 444 101 121 THR HG2 H 1.14 0.02 1 445 101 121 THR N N 115.089 0.20 1 446 102 122 THR H H 8.08 0.02 1 447 102 122 THR HA H 4.48 0.02 1 448 102 122 THR HG2 H 1.18 0.02 1 449 102 122 THR N N 117.4 0.20 1 450 103 123 THR H H 7.974 0.02 1 451 103 123 THR HA H 4.36 0.02 1 452 103 123 THR HB H 4.37 0.02 1 453 103 123 THR HG2 H 1.22 0.02 1 454 103 123 THR N N 115.779 0.20 1 455 104 124 LYS H H 8.088 0.02 1 456 104 124 LYS HA H 4.36 0.02 1 457 104 124 LYS HB2 H 1.86 0.02 2 458 104 124 LYS HE2 H 3.38 0.02 2 459 104 124 LYS HG2 H 1.54 0.02 2 460 104 124 LYS N N 121.976 0.20 1 461 105 125 GLY H H 8.14 0.02 1 462 105 125 GLY HA2 H 3.97 0.02 2 463 105 125 GLY N N 108.4 0.20 1 464 106 126 GLU H H 7.85 0.02 1 465 106 126 GLU HA H 4.32 0.02 1 466 106 126 GLU HB2 H 1.6 0.02 2 467 106 126 GLU HB3 H 1.75 0.02 2 468 106 126 GLU HG2 H 2.35 0.02 2 469 106 126 GLU HG3 H 2.21 0.02 2 470 106 126 GLU N N 119.653 0.20 1 471 107 127 ASN H H 8.36 0.02 1 472 107 127 ASN HA H 4.62 0.02 1 473 107 127 ASN HB2 H 2.6 0.02 2 474 107 127 ASN HB3 H 2.73 0.02 2 475 107 127 ASN N N 120.058 0.20 1 476 108 128 PHE H H 8.432 0.02 1 477 108 128 PHE HA H 5.14 0.02 1 478 108 128 PHE HB2 H 3.16 0.02 2 479 108 128 PHE HB3 H 3.0 0.02 2 480 108 128 PHE N N 121.296 0.20 1 481 109 129 THR H H 9.385 0.02 1 482 109 129 THR HA H 4.61 0.02 1 483 109 129 THR HG2 H 1.4 0.02 1 484 109 129 THR N N 115.639 0.20 1 485 110 130 GLU H H 9.006 0.02 1 486 110 130 GLU HA H 4.14 0.02 1 487 110 130 GLU HB2 H 2.13 0.02 2 488 110 130 GLU HB3 H 1.99 0.02 2 489 110 130 GLU HG2 H 2.42 0.02 2 490 110 130 GLU N N 119.892 0.20 1 491 111 131 THR H H 7.908 0.02 1 492 111 131 THR HA H 3.8 0.02 1 493 111 131 THR HB H 3.35 0.02 1 494 111 131 THR HG2 H 0.8 0.02 1 495 111 131 THR N N 116.11 0.20 1 496 112 132 ASP H H 7.57 0.02 1 497 112 132 ASP HA H 4.53 0.02 1 498 112 132 ASP HB2 H 2.58 0.02 2 499 112 132 ASP HB3 H 3.27 0.02 2 500 112 132 ASP N N 119.592 0.20 1 501 113 133 ILE H H 8.13 0.02 1 502 113 133 ILE HA H 3.56 0.02 1 503 113 133 ILE HB H 2.06 0.02 1 504 113 133 ILE HD1 H 0.7 0.02 1 505 113 133 ILE HG12 H 1.26 0.02 1 506 113 133 ILE HG13 H 1.62 0.02 1 507 113 133 ILE HG2 H 0.8 0.02 2 508 113 133 ILE N N 119.8 0.20 1 509 114 134 LYS H H 7.876 0.02 1 510 114 134 LYS HA H 4.05 0.02 1 511 114 134 LYS HB2 H 1.88 0.02 2 512 114 134 LYS HD2 H 1.76 0.02 2 513 114 134 LYS HE2 H 2.95 0.02 2 514 114 134 LYS N N 119.762 0.20 1 515 115 135 ILE H H 8.1 0.02 1 516 115 135 ILE HA H 3.77 0.02 1 517 115 135 ILE HD1 H 0.7 0.02 1 518 115 135 ILE HG12 H 1.58 0.02 1 519 115 135 ILE N N 120.04 0.20 1 520 116 136 MET H H 8.803 0.02 1 521 116 136 MET HA H 3.57 0.02 1 522 116 136 MET HB2 H 2.15 0.02 2 523 116 136 MET HB3 H 1.9 0.02 2 524 116 136 MET N N 119.32 0.20 1 525 117 137 GLU H H 8.52 0.02 1 526 117 137 GLU HA H 3.66 0.02 1 527 117 137 GLU HB2 H 2.0 0.02 2 528 117 137 GLU HG2 H 2.6 0.02 2 529 117 137 GLU HG3 H 2.25 0.02 2 530 117 137 GLU N N 117.52 0.20 1 531 118 138 ARG H H 7.238 0.02 1 532 118 138 ARG HA H 4.15 0.02 1 533 118 138 ARG HB2 H 1.99 0.02 2 534 118 138 ARG HB3 H 2.09 0.02 2 535 118 138 ARG HG2 H 1.85 0.02 2 536 118 138 ARG N N 117.461 0.20 1 537 119 139 VAL H H 8.444 0.02 1 538 119 139 VAL HA H 3.72 0.02 1 539 119 139 VAL HB H 2.12 0.02 1 540 119 139 VAL HG1 H 0.9 0.02 2 541 119 139 VAL HG2 H 1.08 0.02 2 542 119 139 VAL N N 120.706 0.20 1 543 120 140 VAL H H 9.096 0.02 1 544 120 140 VAL HA H 3.65 0.02 1 545 120 140 VAL HB H 2.24 0.02 1 546 120 140 VAL HG2 H 1.02 0.02 2 547 120 140 VAL N N 119.783 0.20 1 548 121 141 GLU H H 8.137 0.02 1 549 121 141 GLU N N 121.664 0.20 1 550 122 142 GLN H H 7.55 0.02 1 551 122 142 GLN HA H 4.1 0.02 1 552 122 142 GLN N N 120.378 0.20 1 553 123 143 MET H H 8.33 0.02 1 554 123 143 MET N N 120.425 0.20 1 555 124 144 CYS H H 9.406 0.02 1 556 124 144 CYS HA H 4.34 0.02 1 557 124 144 CYS HB2 H 3.37 0.02 2 558 124 144 CYS HB3 H 2.83 0.02 2 559 124 144 CYS N N 118.098 0.20 1 560 125 145 THR H H 8.172 0.02 1 561 125 145 THR N N 119.737 0.20 1 562 126 146 THR H H 8.271 0.02 1 563 126 146 THR HA H 3.9 0.02 1 564 126 146 THR HB H 4.26 0.02 1 565 126 146 THR HG2 H 1.2 0.02 1 566 126 146 THR N N 120.932 0.20 1 567 127 147 GLN H H 8.625 0.02 1 568 127 147 GLN N N 122.265 0.20 1 569 128 148 TYR H H 8.37 0.02 1 570 128 148 TYR HA H 2.96 0.02 1 571 128 148 TYR N N 119.171 0.20 1 572 129 149 GLN H H 7.926 0.02 1 573 129 149 GLN HA H 3.7 0.02 1 574 129 149 GLN HB2 H 2.28 0.02 2 575 129 149 GLN N N 119.652 0.20 1 576 130 150 LYS H H 7.964 0.02 1 577 130 150 LYS HA H 4.0 0.02 1 578 130 150 LYS HB2 H 1.81 0.02 2 579 130 150 LYS HG2 H 1.38 0.02 2 580 130 150 LYS HG3 H 1.58 0.02 2 581 130 150 LYS N N 118.69 0.20 1 582 131 151 GLU H H 8.114 0.02 1 583 131 151 GLU HA H 4.1 0.02 1 584 131 151 GLU HB2 H 1.76 0.02 2 585 131 151 GLU HB3 H 2.2 0.02 2 586 131 151 GLU HG2 H 2.43 0.02 2 587 131 151 GLU N N 117.0 0.20 1 588 132 152 SER H H 8.25 0.02 1 589 132 152 SER HA H 3.99 0.02 1 590 132 152 SER HB2 H 3.59 0.02 2 591 132 152 SER HB3 H 3.35 0.02 2 592 132 152 SER N N 115.153 0.20 1 593 133 153 GLN H H 7.64 0.02 1 594 133 153 GLN HA H 4.1 0.02 1 595 133 153 GLN HB2 H 2.1 0.02 2 596 133 153 GLN HG2 H 2.38 0.02 2 597 133 153 GLN N N 120.664 0.20 1 598 134 154 ALA H H 7.599 0.02 1 599 134 154 ALA HA H 4.16 0.02 1 600 134 154 ALA HB H 1.36 0.02 1 601 134 154 ALA N N 121.264 0.20 1 602 135 155 TYR H H 7.861 0.02 1 603 135 155 TYR HA H 4.3 0.02 1 604 135 155 TYR HB2 H 2.96 0.02 2 605 135 155 TYR HB3 H 2.86 0.02 2 606 135 155 TYR N N 118.511 0.20 1 607 136 156 TYR H H 8.022 0.02 1 608 136 156 TYR HA H 4.32 0.02 1 609 136 156 TYR HB2 H 2.9 0.02 2 610 136 156 TYR N N 119.534 0.20 1 611 137 157 ASP H H 8.142 0.02 1 612 137 157 ASP HA H 4.55 0.02 1 613 137 157 ASP HB2 H 2.81 0.02 2 614 137 157 ASP N N 120.213 0.20 1 615 138 158 GLY H H 7.832 0.02 1 616 138 158 GLY HA2 H 3.88 0.02 2 617 138 158 GLY N N 108.07 0.20 1 618 139 159 ARG H H 7.849 0.02 1 619 139 159 ARG HA H 4.3 0.02 1 620 139 159 ARG HB2 H 1.99 0.02 2 621 139 159 ARG N N 120.018 0.20 1 622 140 160 ARG H H 8.383 0.02 1 623 140 160 ARG HA H 4.4 0.02 1 624 140 160 ARG N N 122.723 0.20 1 625 141 161 SER H H 7.999 0.02 1 626 141 161 SER HA H 4.29 0.02 1 627 141 161 SER HB2 H 3.85 0.02 2 628 141 161 SER N N 121.847 0.20 1 stop_ save_ save_assigned_chem_shift_list_4 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNHA' '3D 1H-15N TOCSY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_4 stop_ _Sample_conditions_label $sample_conditions_4 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name shPrP(90-232) _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 1 21 GLN H H 8.25 0.02 1 2 1 21 GLN HA H 4.37 0.02 1 3 1 21 GLN HB2 H 1.98 0.02 2 4 1 21 GLN HB3 H 2.04 0.02 2 5 1 21 GLN HG2 H 2.34 0.02 2 6 1 21 GLN HG3 H 2.13 0.02 2 7 1 21 GLN N N 119.662 0.20 1 8 2 22 GLY H H 8.634 0.02 1 9 2 22 GLY HA2 H 4.01 0.02 2 10 2 22 GLY N N 110.849 0.20 1 11 3 23 GLY H H 8.336 0.02 1 12 3 23 GLY HA2 H 3.93 0.02 2 13 3 23 GLY N N 108.52 0.20 1 14 4 24 GLY H H 8.272 0.02 1 15 4 24 GLY HA2 H 3.85 0.02 2 16 4 24 GLY N N 108.874 0.20 1 17 5 25 THR H H 8.053 0.02 1 18 5 25 THR HA H 4.25 0.02 1 19 5 25 THR HB H 4.11 0.02 1 20 5 25 THR HG2 H 1.12 0.02 1 21 5 25 THR N N 113.144 0.20 1 22 6 26 HIS H H 8.59 0.02 1 23 6 26 HIS HA H 4.71 0.02 1 24 6 26 HIS HB2 H 3.2 0.02 2 25 6 26 HIS N N 120.353 0.20 1 26 7 27 ASN H H 8.378 0.02 1 27 7 27 ASN HA H 4.6 0.02 1 28 7 27 ASN HB2 H 2.63 0.02 2 29 7 27 ASN N N 119.868 0.20 1 30 8 28 GLN H H 8.343 0.02 1 31 8 28 GLN HA H 4.21 0.02 1 32 8 28 GLN HB2 H 2.0 0.02 2 33 8 28 GLN HB3 H 1.81 0.02 2 34 8 28 GLN HG2 H 2.17 0.02 2 35 8 28 GLN N N 120.619 0.20 1 36 9 29 TRP H H 8.148 0.02 1 37 9 29 TRP HA H 4.66 0.02 1 38 9 29 TRP HB2 H 3.25 0.02 2 39 9 29 TRP N N 121.82 0.20 1 40 10 30 ASN H H 8.098 0.02 1 41 10 30 ASN HA H 4.66 0.02 1 42 10 30 ASN HB2 H 2.6 0.02 2 43 10 30 ASN N N 120.64 0.20 1 44 11 31 LYS H H 8.033 0.02 1 45 11 31 LYS HA H 4.46 0.02 1 46 11 31 LYS HB2 H 1.65 0.02 2 47 11 31 LYS HB3 H 1.81 0.02 2 48 11 31 LYS HG2 H 1.34 0.02 2 49 11 31 LYS HG3 H 1.5 0.02 2 50 11 31 LYS N N 122.914 0.20 1 51 13 33 SER H H 8.346 0.02 1 52 13 33 SER HA H 4.48 0.02 1 53 13 33 SER HB2 H 3.87 0.02 2 54 13 33 SER N N 117.46 0.20 1 55 14 34 LYS H H 8.304 0.02 1 56 14 34 LYS HA H 4.6 0.02 1 57 14 34 LYS HB2 H 1.72 0.02 2 58 14 34 LYS HB3 H 1.84 0.02 2 59 14 34 LYS HG2 H 1.44 0.02 2 60 14 34 LYS N N 124.197 0.20 1 61 16 36 LYS H H 8.484 0.02 1 62 16 36 LYS HA H 4.3 0.02 1 63 16 36 LYS HB2 H 1.78 0.02 2 64 16 36 LYS HG2 H 1.5 0.02 2 65 16 36 LYS N N 122.118 0.20 1 66 17 37 THR H H 8.103 0.02 1 67 17 37 THR HA H 4.35 0.02 1 68 17 37 THR HB H 4.17 0.02 1 69 17 37 THR HG2 H 1.16 0.02 1 70 17 37 THR N N 115.149 0.20 1 71 18 38 ASN H H 8.516 0.02 1 72 18 38 ASN HA H 4.71 0.02 1 73 18 38 ASN HB2 H 2.77 0.02 2 74 18 38 ASN N N 121.499 0.20 1 75 19 39 MET H H 8.336 0.02 1 76 19 39 MET HA H 4.39 0.02 1 77 19 39 MET HB2 H 1.98 0.02 2 78 19 39 MET HG2 H 2.6 0.02 2 79 19 39 MET HG3 H 2.43 0.02 2 80 19 39 MET N N 121.494 0.20 1 81 20 40 LYS H H 8.304 0.02 1 82 20 40 LYS HA H 4.22 0.02 1 83 20 40 LYS HB2 H 1.78 0.02 2 84 20 40 LYS HD2 H 1.41 0.02 2 85 20 40 LYS HG2 H 1.71 0.02 2 86 20 40 LYS N N 122.335 0.20 1 87 21 41 HIS H H 8.514 0.02 1 88 21 41 HIS HA H 4.67 0.02 1 89 21 41 HIS HB2 H 3.17 0.02 2 90 21 41 HIS N N 119.931 0.20 1 91 22 42 MET H H 8.421 0.02 1 92 22 42 MET HA H 4.47 0.02 1 93 22 42 MET HB2 H 1.99 0.02 2 94 22 42 MET HG2 H 2.52 0.02 2 95 22 42 MET N N 122.921 0.20 1 96 23 43 ALA H H 8.403 0.02 1 97 23 43 ALA HA H 4.31 0.02 1 98 23 43 ALA HB H 1.39 0.02 1 99 23 43 ALA N N 125.972 0.20 1 100 24 44 GLY H H 8.359 0.02 1 101 24 44 GLY HA2 H 3.94 0.02 2 102 24 44 GLY N N 108.893 0.20 1 103 25 45 ALA H H 8.131 0.02 1 104 25 45 ALA HA H 4.28 0.02 1 105 25 45 ALA HB H 1.36 0.02 1 106 25 45 ALA N N 123.913 0.20 1 107 26 46 ALA H H 8.224 0.02 1 108 26 46 ALA HA H 4.4 0.02 1 109 26 46 ALA HB H 1.39 0.02 1 110 26 46 ALA N N 123.895 0.20 1 111 27 47 ALA H H 8.192 0.02 1 112 27 47 ALA HA H 4.29 0.02 1 113 27 47 ALA HB H 1.37 0.02 1 114 27 47 ALA N N 123.436 0.20 1 115 28 48 ALA H H 8.302 0.02 1 116 28 48 ALA HA H 4.33 0.02 1 117 28 48 ALA HB H 1.59 0.02 1 118 28 48 ALA N N 123.543 0.20 1 119 29 49 GLY H H 8.252 0.02 1 120 29 49 GLY HA2 H 3.9 0.02 2 121 29 49 GLY N N 107.973 0.20 1 122 30 50 ALA H H 8.025 0.02 1 123 30 50 ALA HA H 4.34 0.02 1 124 30 50 ALA HB H 1.35 0.02 1 125 30 50 ALA N N 123.608 0.20 1 126 31 51 VAL H H 8.105 0.02 1 127 31 51 VAL HA H 4.11 0.02 1 128 31 51 VAL HB H 2.01 0.02 1 129 31 51 VAL HG2 H 0.88 0.02 2 130 31 51 VAL N N 119.779 0.20 1 131 32 52 VAL H H 8.229 0.02 1 132 32 52 VAL HA H 4.09 0.02 1 133 32 52 VAL HB H 2.02 0.02 1 134 32 52 VAL HG2 H 0.9 0.02 2 135 32 52 VAL N N 124.736 0.20 1 136 33 53 GLY H H 8.501 0.02 1 137 33 53 GLY HA2 H 3.93 0.02 2 138 33 53 GLY N N 113.115 0.20 1 139 34 54 GLY H H 8.23 0.02 1 140 34 54 GLY HA2 H 3.94 0.02 2 141 34 54 GLY N N 108.472 0.20 1 142 35 55 LEU H H 8.221 0.02 1 143 35 55 LEU HA H 4.36 0.02 1 144 35 55 LEU HB2 H 1.58 0.02 2 145 35 55 LEU HG H 1.44 0.02 1 146 35 55 LEU N N 121.71 0.20 1 147 36 56 GLY H H 8.507 0.02 1 148 36 56 GLY HA2 H 3.97 0.02 2 149 36 56 GLY N N 110.048 0.20 1 150 37 57 GLY H H 8.308 0.02 1 151 37 57 GLY HA2 H 3.98 0.02 2 152 37 57 GLY N N 108.734 0.20 1 153 38 58 TYR H H 7.739 0.02 1 154 38 58 TYR HA H 4.44 0.02 1 155 38 58 TYR HB2 H 2.86 0.02 2 156 38 58 TYR N N 117.87 0.20 1 157 39 59 MET H H 8.98 0.02 1 158 39 59 MET HA H 4.52 0.02 1 159 39 59 MET HB2 H 1.6 0.02 2 160 39 59 MET HB3 H 1.26 0.02 2 161 39 59 MET HG2 H 2.48 0.02 2 162 39 59 MET HG3 H 2.05 0.02 2 163 39 59 MET N N 121.171 0.20 1 164 40 60 LEU H H 8.1 0.02 1 165 40 60 LEU HA H 4.67 0.02 1 166 40 60 LEU HB2 H 1.01 0.02 2 167 40 60 LEU HB3 H 1.58 0.02 2 168 40 60 LEU HD1 H 0.62 0.02 2 169 40 60 LEU HD2 H 0.089 0.02 2 170 40 60 LEU N N 122.024 0.20 1 171 41 61 GLY H H 9.183 0.02 1 172 41 61 GLY HA2 H 4.34 0.02 2 173 41 61 GLY HA3 H 3.93 0.02 2 174 41 61 GLY N N 114.337 0.20 1 175 42 62 SER H H 8.253 0.02 1 176 42 62 SER HA H 4.4 0.02 1 177 42 62 SER HB2 H 3.92 0.02 2 178 42 62 SER N N 113.857 0.20 1 179 43 63 ALA H H 8.677 0.02 1 180 43 63 ALA HA H 4.36 0.02 1 181 43 63 ALA HB H 1.25 0.02 1 182 43 63 ALA N N 125.567 0.20 1 183 44 64 MET H H 8.711 0.02 1 184 44 64 MET HA H 4.65 0.02 1 185 44 64 MET HB2 H 2.09 0.02 2 186 44 64 MET HE H 1.95 0.02 1 187 44 64 MET HG2 H 2.57 0.02 2 188 44 64 MET HG3 H 2.44 0.02 2 189 44 64 MET N N 121.501 0.20 1 190 45 65 SER H H 8.342 0.02 1 191 45 65 SER HA H 4.37 0.02 1 192 45 65 SER HB2 H 3.8 0.02 2 193 45 65 SER N N 116.159 0.20 1 194 46 66 ARG H H 8.591 0.02 1 195 46 66 ARG HA H 4.42 0.02 1 196 46 66 ARG HB2 H 1.8 0.02 2 197 46 66 ARG HD2 H 3.15 0.02 2 198 46 66 ARG HG2 H 1.64 0.02 2 199 46 66 ARG N N 125.873 0.20 1 200 48 68 MET H H 8.664 0.02 1 201 48 68 MET HA H 4.7 0.02 1 202 48 68 MET HB2 H 1.99 0.02 2 203 48 68 MET HG2 H 2.61 0.02 2 204 48 68 MET N N 122.431 0.20 1 205 49 69 MET H H 7.357 0.02 1 206 49 69 MET HA H 4.32 0.02 1 207 49 69 MET HB2 H 1.08 0.02 2 208 49 69 MET HG2 H 1.93 0.02 2 209 49 69 MET HG3 H 1.75 0.02 2 210 49 69 MET N N 121.88 0.20 1 211 50 70 HIS H H 8.143 0.02 1 212 50 70 HIS HA H 4.88 0.02 1 213 50 70 HIS HB2 H 3.25 0.02 2 214 50 70 HIS HB3 H 2.91 0.02 2 215 50 70 HIS N N 118.393 0.20 1 216 51 71 PHE H H 10.273 0.02 1 217 51 71 PHE HA H 4.36 0.02 1 218 51 71 PHE HB2 H 2.8 0.02 2 219 51 71 PHE HB3 H 2.68 0.02 2 220 51 71 PHE N N 123.198 0.20 1 221 52 72 GLY H H 8.973 0.02 1 222 52 72 GLY HA2 H 3.74 0.02 2 223 52 72 GLY HA3 H 4.11 0.02 2 224 52 72 GLY N N 109.515 0.20 1 225 53 73 ASN H H 7.16 0.02 1 226 53 73 ASN HA H 4.87 0.02 1 227 53 73 ASN HB2 H 2.75 0.02 2 228 53 73 ASN N N 114.961 0.20 1 229 54 74 ASP H H 9.006 0.02 1 230 54 74 ASP HA H 4.48 0.02 1 231 54 74 ASP HB2 H 2.8 0.02 2 232 54 74 ASP N N 123.463 0.20 1 233 55 75 TRP H H 8.42 0.02 1 234 55 75 TRP HA H 4.28 0.02 1 235 55 75 TRP HB2 H 2.81 0.02 2 236 55 75 TRP HB3 H 3.42 0.02 2 237 55 75 TRP N N 120.342 0.20 1 238 56 76 GLU H H 8.138 0.02 1 239 56 76 GLU HA H 3.38 0.02 1 240 56 76 GLU N N 121.546 0.20 1 241 57 77 ASP H H 7.97 0.02 1 242 57 77 ASP HA H 4.53 0.02 1 243 57 77 ASP HB2 H 2.96 0.02 2 244 57 77 ASP N N 120.0 0.20 1 245 58 78 ARG H H 7.957 0.02 1 246 58 78 ARG HA H 3.94 0.02 1 247 58 78 ARG N N 120.311 0.20 1 248 59 79 TYR H H 8.313 0.02 1 249 59 79 TYR N N 121.404 0.20 1 250 60 80 TYR H H 8.842 0.02 1 251 60 80 TYR N N 119.71 0.20 1 252 61 81 ARG H H 7.736 0.02 1 253 61 81 ARG HA H 3.7 0.02 1 254 61 81 ARG HB2 H 1.91 0.02 2 255 61 81 ARG HG2 H 1.71 0.02 2 256 61 81 ARG N N 116.834 0.20 1 257 62 82 GLU H H 7.852 0.02 1 258 62 82 GLU HA H 4.04 0.02 1 259 62 82 GLU HB2 H 1.88 0.02 2 260 62 82 GLU HB3 H 1.71 0.02 2 261 62 82 GLU HG2 H 2.4 0.02 2 262 62 82 GLU HG3 H 2.19 0.02 2 263 62 82 GLU N N 115.488 0.20 1 264 63 83 ASN H H 7.486 0.02 1 265 63 83 ASN HA H 4.6 0.02 1 266 63 83 ASN HB2 H 2.42 0.02 2 267 63 83 ASN HB3 H 2.17 0.02 2 268 63 83 ASN N N 116.035 0.20 1 269 64 84 MET H H 7.461 0.02 1 270 64 84 MET HA H 3.66 0.02 1 271 64 84 MET HB2 H 1.77 0.02 2 272 64 84 MET HB3 H 1.53 0.02 2 273 64 84 MET HG2 H 2.2 0.02 2 274 64 84 MET N N 118.751 0.20 1 275 65 85 ASN H H 8.162 0.02 1 276 65 85 ASN HA H 4.401 0.02 1 277 65 85 ASN N N 114.529 0.20 1 278 66 86 ARG H H 7.986 0.02 1 279 66 86 ARG HA H 4.2 0.02 1 280 66 86 ARG HB2 H 1.47 0.02 2 281 66 86 ARG N N 117.669 0.20 1 282 67 87 TYR H H 7.299 0.02 1 283 67 87 TYR HA H 4.96 0.02 1 284 67 87 TYR HB2 H 3.12 0.02 2 285 67 87 TYR HB3 H 2.98 0.02 2 286 67 87 TYR N N 119.432 0.20 1 287 69 89 ASN H H 8.422 0.02 1 288 69 89 ASN HA H 4.72 0.02 1 289 69 89 ASN HB2 H 2.4 0.02 2 290 69 89 ASN N N 116.079 0.20 1 291 70 90 GLN H H 7.216 0.02 1 292 70 90 GLN HA H 4.6 0.02 1 293 70 90 GLN HB2 H 1.7 0.02 2 294 70 90 GLN HB3 H 2.04 0.02 2 295 70 90 GLN HG2 H 2.09 0.02 2 296 70 90 GLN N N 114.58 0.20 1 297 71 91 VAL H H 8.496 0.02 1 298 71 91 VAL HA H 4.83 0.02 1 299 71 91 VAL N N 111.639 0.20 1 300 72 92 TYR H H 8.298 0.02 1 301 72 92 TYR HA H 5.48 0.02 1 302 72 92 TYR HB2 H 2.55 0.02 2 303 72 92 TYR HB3 H 2.48 0.02 2 304 72 92 TYR N N 120.889 0.20 1 305 73 93 TYR H H 8.5 0.02 1 306 73 93 TYR HA H 4.83 0.02 1 307 73 93 TYR HB2 H 2.85 0.02 2 308 73 93 TYR HB3 H 2.58 0.02 2 309 73 93 TYR N N 111.6 0.20 1 310 74 94 ARG H H 7.96 0.02 1 311 74 94 ARG HA H 4.69 0.02 1 312 74 94 ARG HB2 H 1.83 0.02 2 313 74 94 ARG N N 120.554 0.20 1 314 76 96 VAL H H 8.486 0.02 1 315 76 96 VAL HA H 4.45 0.02 1 316 76 96 VAL HG2 H 0.96 0.02 2 317 76 96 VAL N N 119.125 0.20 1 318 77 97 ASP H H 8.2 0.02 1 319 77 97 ASP HA H 4.48 0.02 1 320 77 97 ASP HB2 H 2.98 0.02 2 321 77 97 ASP HB3 H 2.5 0.02 2 322 77 97 ASP N N 117.105 0.20 1 323 78 98 GLN H H 8.169 0.02 1 324 78 98 GLN HA H 4.12 0.02 1 325 78 98 GLN HB2 H 1.75 0.02 2 326 78 98 GLN N N 117.95 0.20 1 327 79 99 TYR H H 7.868 0.02 1 328 79 99 TYR HA H 4.81 0.02 1 329 79 99 TYR HB2 H 3.25 0.02 2 330 79 99 TYR HB3 H 3.0 0.02 2 331 79 99 TYR N N 117.047 0.20 1 332 80 100 ASN H H 8.874 0.02 1 333 80 100 ASN HA H 4.84 0.02 1 334 80 100 ASN HB2 H 2.94 0.02 2 335 80 100 ASN N N 117.531 0.20 1 336 81 101 ASN H H 7.63 0.02 1 337 81 101 ASN HA H 4.75 0.02 1 338 81 101 ASN HB2 H 3.23 0.02 2 339 81 101 ASN HB3 H 3.06 0.02 2 340 81 101 ASN N N 113.842 0.20 1 341 82 102 GLN H H 8.641 0.02 1 342 82 102 GLN HA H 2.98 0.02 1 343 82 102 GLN N N 121.364 0.20 1 344 83 103 ASN H H 8.385 0.02 1 345 83 103 ASN HA H 4.36 0.02 1 346 83 103 ASN HB2 H 2.9 0.02 2 347 83 103 ASN HB3 H 2.7 0.02 2 348 83 103 ASN N N 117.573 0.20 1 349 84 104 ASN H H 8.468 0.02 1 350 84 104 ASN HA H 4.54 0.02 1 351 84 104 ASN HB2 H 3.15 0.02 2 352 84 104 ASN HB3 H 2.95 0.02 2 353 84 104 ASN N N 118.502 0.20 1 354 85 105 PHE H H 7.26 0.02 1 355 85 105 PHE HA H 2.96 0.02 1 356 85 105 PHE HB2 H 2.51 0.02 2 357 85 105 PHE N N 121.305 0.20 1 358 86 106 VAL H H 8.792 0.02 1 359 86 106 VAL HA H 3.34 0.02 1 360 86 106 VAL HB H 2.21 0.02 1 361 86 106 VAL HG2 H 1.04 0.02 2 362 86 106 VAL N N 120.199 0.20 1 363 87 107 HIS H H 8.435 0.02 1 364 87 107 HIS HA H 4.42 0.02 1 365 87 107 HIS HB2 H 3.81 0.02 2 366 87 107 HIS N N 116.875 0.20 1 367 88 108 ASP H H 7.692 0.02 1 368 88 108 ASP HA H 4.58 0.02 1 369 88 108 ASP HB2 H 2.95 0.02 2 370 88 108 ASP HB3 H 3.38 0.02 2 371 88 108 ASP N N 118.82 0.20 1 372 89 109 CYS H H 8.104 0.02 1 373 89 109 CYS HA H 4.65 0.02 1 374 89 109 CYS HB2 H 3.3 0.02 2 375 89 109 CYS HB3 H 2.89 0.02 2 376 89 109 CYS N N 119.433 0.20 1 377 90 110 VAL H H 9.118 0.02 1 378 90 110 VAL HA H 3.63 0.02 1 379 90 110 VAL HB H 2.16 0.02 1 380 90 110 VAL HG1 H 1.01 0.02 2 381 90 110 VAL HG2 H 1.12 0.02 2 382 90 110 VAL N N 125.018 0.20 1 383 91 111 ASN H H 7.701 0.02 1 384 91 111 ASN HA H 4.33 0.02 1 385 91 111 ASN HB2 H 2.81 0.02 2 386 91 111 ASN N N 116.802 0.20 1 387 92 112 ILE H H 8.717 0.02 1 388 92 112 ILE HA H 3.69 0.02 1 389 92 112 ILE HB H 1.57 0.02 1 390 92 112 ILE N N 118.941 0.20 1 391 93 113 THR H H 8.166 0.02 1 392 93 113 THR HA H 4.11 0.02 1 393 93 113 THR HB H 4.45 0.02 1 394 93 113 THR HG2 H 1.5 0.02 1 395 93 113 THR N N 118.096 0.20 1 396 94 114 ILE H H 8.552 0.02 1 397 94 114 ILE N N 120.485 0.20 1 398 95 115 LYS H H 8.067 0.02 1 399 95 115 LYS HA H 4.13 0.02 1 400 95 115 LYS HG2 H 1.56 0.02 2 401 95 115 LYS N N 122.399 0.20 1 402 96 116 GLN H H 8.194 0.02 1 403 96 116 GLN HA H 4.01 0.02 1 404 96 116 GLN HB2 H 1.88 0.02 2 405 96 116 GLN HB3 H 1.81 0.02 2 406 96 116 GLN HG2 H 2.07 0.02 2 407 96 116 GLN HG3 H 1.51 0.02 2 408 96 116 GLN N N 115.849 0.20 1 409 97 117 HIS H H 7.937 0.02 1 410 97 117 HIS HA H 4.65 0.02 1 411 97 117 HIS HB2 H 3.44 0.02 2 412 97 117 HIS HB3 H 3.25 0.02 2 413 97 117 HIS N N 116.011 0.20 1 414 98 118 THR H H 8.013 0.02 1 415 98 118 THR HA H 4.24 0.02 1 416 98 118 THR HB H 4.66 0.02 1 417 98 118 THR HG2 H 1.1 0.02 1 418 98 118 THR N N 112.565 0.20 1 419 99 119 VAL H H 7.921 0.02 1 420 99 119 VAL HA H 4.02 0.02 1 421 99 119 VAL HB H 2.12 0.02 1 422 99 119 VAL HG1 H 0.98 0.02 2 423 99 119 VAL HG2 H 1.17 0.02 2 424 99 119 VAL N N 121.534 0.20 1 425 100 120 THR H H 8.023 0.02 1 426 100 120 THR N N 115.608 0.20 1 427 101 121 THR H H 7.989 0.02 1 428 101 121 THR N N 115.128 0.20 1 429 102 122 THR H H 8.111 0.02 1 430 102 122 THR N N 115.361 0.20 1 431 103 123 THR H H 8.009 0.02 1 432 103 123 THR N N 115.677 0.20 1 433 104 124 LYS H H 8.088 0.02 1 434 104 124 LYS HA H 4.36 0.02 1 435 104 124 LYS HB2 H 1.54 0.02 2 436 104 124 LYS HE2 H 3.38 0.02 2 437 104 124 LYS N N 121.976 0.20 1 438 105 125 GLY H H 8.253 0.02 1 439 105 125 GLY HA2 H 4.0 0.02 2 440 105 125 GLY HA3 H 3.83 0.02 2 441 105 125 GLY N N 109.705 0.20 1 442 106 126 GLU H H 7.899 0.02 1 443 106 126 GLU HA H 3.67 0.02 1 444 106 126 GLU HB2 H 1.8 0.02 2 445 106 126 GLU HG2 H 2.35 0.02 2 446 106 126 GLU HG3 H 2.21 0.02 2 447 106 126 GLU N N 119.666 0.20 1 448 107 127 ASN H H 8.39 0.02 1 449 107 127 ASN HA H 4.6 0.02 1 450 107 127 ASN HB2 H 2.66 0.02 2 451 107 127 ASN HB3 H 2.79 0.02 2 452 107 127 ASN N N 119.965 0.20 1 453 108 128 PHE H H 8.439 0.02 1 454 108 128 PHE HA H 5.14 0.02 1 455 108 128 PHE HB2 H 3.0 0.02 2 456 108 128 PHE N N 121.683 0.20 1 457 109 129 THR H H 9.385 0.02 1 458 109 129 THR HA H 4.61 0.02 1 459 109 129 THR HG2 H 1.4 0.02 1 460 109 129 THR N N 115.639 0.20 1 461 110 130 GLU H H 9.014 0.02 1 462 110 130 GLU HA H 4.1 0.02 1 463 110 130 GLU HB2 H 2.13 0.02 2 464 110 130 GLU HB3 H 1.99 0.02 2 465 110 130 GLU HG2 H 2.42 0.02 2 466 110 130 GLU N N 119.874 0.20 1 467 111 131 THR H H 7.896 0.02 1 468 111 131 THR HA H 3.8 0.02 1 469 111 131 THR HB H 3.8 0.02 1 470 111 131 THR HG2 H 0.8 0.02 1 471 111 131 THR N N 115.99 0.20 1 472 112 132 ASP H H 7.545 0.02 1 473 112 132 ASP HA H 4.53 0.02 1 474 112 132 ASP HB2 H 2.58 0.02 2 475 112 132 ASP HB3 H 3.27 0.02 2 476 112 132 ASP N N 119.639 0.20 1 477 113 133 ILE H H 8.13 0.02 1 478 113 133 ILE N N 119.8 0.20 1 479 114 134 LYS H H 7.915 0.02 1 480 114 134 LYS HA H 4.04 0.02 1 481 114 134 LYS HB2 H 2.25 0.02 2 482 114 134 LYS HD2 H 1.81 0.02 2 483 114 134 LYS HG2 H 1.6 0.02 2 484 114 134 LYS N N 119.985 0.20 1 485 115 135 ILE H H 7.977 0.02 1 486 115 135 ILE N N 120.1 0.20 1 487 116 136 MET H H 8.818 0.02 1 488 116 136 MET HA H 3.57 0.02 1 489 116 136 MET HB2 H 2.15 0.02 2 490 116 136 MET HB3 H 1.9 0.02 2 491 116 136 MET N N 119.331 0.20 1 492 117 137 GLU H H 8.522 0.02 1 493 117 137 GLU N N 117.494 0.20 1 494 118 138 ARG H H 7.251 0.02 1 495 118 138 ARG HA H 4.15 0.02 1 496 118 138 ARG HB2 H 2.09 0.02 2 497 118 138 ARG N N 117.54 0.20 1 498 119 139 VAL H H 8.466 0.02 1 499 119 139 VAL N N 120.695 0.20 1 500 120 140 VAL H H 9.098 0.02 1 501 120 140 VAL HA H 3.67 0.02 1 502 120 140 VAL HB H 2.15 0.02 1 503 120 140 VAL HG2 H 1.02 0.02 2 504 120 140 VAL N N 119.78 0.20 1 505 121 141 GLU H H 8.099 0.02 1 506 121 141 GLU HA H 3.63 0.02 1 507 121 141 GLU HB2 H 2.31 0.02 2 508 121 141 GLU HG2 H 2.11 0.02 2 509 121 141 GLU N N 121.682 0.20 1 510 122 142 GLN H H 7.55 0.02 1 511 122 142 GLN N N 120.378 0.20 1 512 123 143 MET H H 8.38 0.02 1 513 123 143 MET N N 120.42 0.20 1 514 124 144 CYS H H 9.414 0.02 1 515 124 144 CYS N N 118.127 0.20 1 516 125 145 THR H H 8.184 0.02 1 517 125 145 THR HA H 3.85 0.02 1 518 125 145 THR HB H 4.53 0.02 1 519 125 145 THR HG2 H 1.25 0.02 1 520 125 145 THR N N 119.777 0.20 1 521 126 146 THR H H 8.261 0.02 1 522 126 146 THR N N 121.244 0.20 1 523 127 147 GLN H H 8.645 0.02 1 524 127 147 GLN HA H 3.68 0.02 1 525 127 147 GLN HB2 H 2.02 0.02 2 526 127 147 GLN HB3 H 2.33 0.02 2 527 127 147 GLN HG2 H 1.8 0.02 2 528 127 147 GLN HG3 H 1.98 0.02 2 529 127 147 GLN N N 122.289 0.20 1 530 128 148 TYR H H 8.393 0.02 1 531 128 148 TYR HA H 2.96 0.02 1 532 128 148 TYR HB2 H 3.02 0.02 2 533 128 148 TYR HB3 H 2.85 0.02 2 534 128 148 TYR N N 119.047 0.20 1 535 129 149 GLN H H 7.918 0.02 1 536 129 149 GLN N N 119.65 0.20 1 537 130 150 LYS H H 7.973 0.02 1 538 130 150 LYS N N 118.626 0.20 1 539 131 151 GLU H H 8.1 0.02 1 540 131 151 GLU N N 116.887 0.20 1 541 132 152 SER H H 8.203 0.02 1 542 132 152 SER N N 115.207 0.20 1 543 133 153 GLN H H 7.641 0.02 1 544 133 153 GLN N N 120.674 0.20 1 545 134 154 ALA H H 7.617 0.02 1 546 134 154 ALA N N 121.352 0.20 1 547 135 155 TYR H H 7.872 0.02 1 548 135 155 TYR N N 118.514 0.20 1 549 136 156 TYR H H 8.042 0.02 1 550 136 156 TYR HA H 4.32 0.02 1 551 136 156 TYR N N 119.492 0.20 1 552 137 157 ASP H H 8.154 0.02 1 553 137 157 ASP N N 120.206 0.20 1 554 138 158 GLY H H 7.844 0.02 1 555 138 158 GLY N N 108.071 0.20 1 556 139 159 ARG H H 7.862 0.02 1 557 139 159 ARG HA H 4.3 0.02 1 558 139 159 ARG N N 120.065 0.20 1 559 140 160 ARG H H 8.38 0.02 1 560 140 160 ARG HA H 4.42 0.02 1 561 140 160 ARG HB2 H 1.84 0.02 2 562 140 160 ARG HB3 H 1.94 0.02 2 563 140 160 ARG HD2 H 2.84 0.02 2 564 140 160 ARG HG2 H 1.71 0.02 2 565 140 160 ARG N N 122.82 0.20 1 566 141 161 SER H H 7.951 0.02 1 567 141 161 SER N N 122.225 0.20 1 stop_ save_