data_15824 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Bank Vole Prion Protein (121-231) ; _BMRB_accession_number 15824 _BMRB_flat_file_name bmr15824.str _Entry_type original _Submission_date 2008-06-25 _Accession_date 2008-06-25 _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 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" 414 "13C chemical shifts" 364 "15N chemical shifts" 135 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-24 update BMRB 'complete entry citation' 2008-09-12 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR Structure of the Bank Vole Prion Protein at 20 degrees C Contains a Structured Loop of Residues 165-171' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18773909 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Christen Barbara . . 2 Perez Daniel R. . 3 Hornemann Simone . . 4 Wuthrich Kurt . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 383 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 306 _Page_last 312 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Prion Protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Prion Protein' $Prion_Protein 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_Prion_Protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Prion_Protein _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 113 _Mol_residue_sequence ; GSVVGGLGGYMLGSAMSRPM IHFGNDWEDRYYRENMNRYP NQVYYRPVDQYNNQNNFVHD CVNITIKQHTVTTTTKGENF TETDVKMMERVVEQMCVTQY QKESQAYYEGRSS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 119 GLY 2 120 SER 3 121 VAL 4 122 VAL 5 123 GLY 6 124 GLY 7 125 LEU 8 126 GLY 9 127 GLY 10 128 TYR 11 129 MET 12 130 LEU 13 131 GLY 14 132 SER 15 133 ALA 16 134 MET 17 135 SER 18 136 ARG 19 137 PRO 20 138 MET 21 139 ILE 22 140 HIS 23 141 PHE 24 142 GLY 25 143 ASN 26 144 ASP 27 145 TRP 28 146 GLU 29 147 ASP 30 148 ARG 31 149 TYR 32 150 TYR 33 151 ARG 34 152 GLU 35 153 ASN 36 154 MET 37 155 ASN 38 156 ARG 39 157 TYR 40 158 PRO 41 159 ASN 42 160 GLN 43 161 VAL 44 162 TYR 45 163 TYR 46 164 ARG 47 165 PRO 48 166 VAL 49 167 ASP 50 168 GLN 51 169 TYR 52 170 ASN 53 171 ASN 54 172 GLN 55 173 ASN 56 174 ASN 57 175 PHE 58 176 VAL 59 177 HIS 60 178 ASP 61 179 CYS 62 180 VAL 63 181 ASN 64 182 ILE 65 183 THR 66 184 ILE 67 185 LYS 68 186 GLN 69 187 HIS 70 188 THR 71 189 VAL 72 190 THR 73 191 THR 74 192 THR 75 193 THR 76 194 LYS 77 195 GLY 78 196 GLU 79 197 ASN 80 198 PHE 81 199 THR 82 200 GLU 83 201 THR 84 202 ASP 85 203 VAL 86 204 LYS 87 205 MET 88 206 MET 89 207 GLU 90 208 ARG 91 209 VAL 92 210 VAL 93 211 GLU 94 212 GLN 95 213 MET 96 214 CYS 97 215 VAL 98 216 THR 99 217 GLN 100 218 TYR 101 219 GLN 102 220 LYS 103 221 GLU 104 222 SER 105 223 GLN 106 224 ALA 107 225 TYR 108 226 TYR 109 227 GLU 110 228 GLY 111 229 ARG 112 230 SER 113 231 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15845 Prion_Protein 100.00 114 97.35 98.23 1.46e-75 PDB 1AG2 "Prion Protein Domain Prp(121-231) From Mouse, Nmr, 2 Minimized Average Structure" 90.27 103 98.04 99.02 3.95e-68 PDB 2K56 "Bank Vole Prion Protein (121-231)" 100.00 113 100.00 100.00 3.38e-78 PDB 2K5O "Mouse Prion Protein (121-231) With Mutation S170n" 100.00 114 97.35 98.23 1.46e-75 GB AAL57231 "prion protein [Myodes glareolus]" 100.00 248 99.12 100.00 5.81e-77 GB AAL57232 "prion protein [Microtus agrestis]" 100.00 240 98.23 99.12 3.34e-76 GB ABR23642 "prion protein [Peromyscus polionotus]" 100.00 244 97.35 99.12 9.55e-76 GB ACJ06784 "major prion protein precursor, partial [Peromyscus leucopus]" 62.83 179 97.18 98.59 9.21e-44 GB ACV85679 "prion protein [Myodes gapperi]" 100.00 255 98.23 100.00 3.27e-76 REF XP_005365625 "PREDICTED: major prion protein [Microtus ochrogaster]" 100.00 254 97.35 99.12 1.93e-75 REF XP_006984054 "PREDICTED: major prion protein [Peromyscus maniculatus bairdii]" 100.00 254 97.35 99.12 1.29e-75 REF XP_007609107 "PREDICTED: LOW QUALITY PROTEIN: major prion protein [Cricetulus griseus]" 91.15 249 97.09 99.03 2.27e-67 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Prion_Protein 'Bank vole' 447135 Eukaryota Metazoa Clethrionomys glareolus 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 $Prion_Protein 'recombinant technology' . Escherichia coli . pRSETA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Prion_Protein 1 mM '[U-99% 15N]' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' 'sodium acetate' 10 mM [U-2H] H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ save_13C_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Prion_Protein 1 mM '[U-99% 13C; U-99% 15N]' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' 'sodium acetate' 10 mM [U-2H] H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_OPAL _Saveframe_category software _Name OPAL _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Luginbuhl, Guntert, Billeter and Wuthrich' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.5.5 loop_ _Vendor _Address _Electronic_address 'Keller, R.' . . 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, Braun and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version 2K.2 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 stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 750 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 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 $15N save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $13C_15N 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 293.2 . 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_bvPrP-BMRB.prot _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $15N $13C_15N stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Prion Protein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 119 1 GLY CA C 43.282 0.3 1 2 120 2 SER HA H 4.633 0.020 1 3 120 2 SER CA C 57.991 0.3 1 4 120 2 SER CB C 63.958 0.3 1 5 120 2 SER N N 115.746 0.3 1 6 121 3 VAL HA H 4.221 0.020 1 7 121 3 VAL HB H 2.088 0.020 1 8 121 3 VAL CA C 62.267 0.3 1 9 121 3 VAL CB C 32.709 0.3 1 10 121 3 VAL CG1 C 20.517 0.3 1 11 121 3 VAL CG2 C 21.122 0.3 1 12 121 3 VAL N N 122.368 0.3 1 13 122 4 VAL HA H 4.135 0.020 1 14 122 4 VAL HB H 2.068 0.020 1 15 122 4 VAL CA C 62.460 0.3 1 16 122 4 VAL CB C 32.566 0.3 1 17 122 4 VAL CG1 C 20.970 0.3 1 18 122 4 VAL CG2 C 21.080 0.3 1 19 122 4 VAL N N 125.209 0.3 1 20 123 5 GLY CA C 45.266 0.3 1 21 123 5 GLY N N 113.632 0.3 1 22 124 6 GLY CA C 45.274 0.3 1 23 124 6 GLY N N 108.734 0.3 1 24 125 7 LEU HA H 4.409 0.020 1 25 125 7 LEU HB2 H 1.583 0.020 2 26 125 7 LEU HB3 H 1.669 0.020 2 27 125 7 LEU HG H 1.558 0.020 1 28 125 7 LEU CA C 54.832 0.3 1 29 125 7 LEU CB C 42.424 0.3 1 30 125 7 LEU CD1 C 24.604 0.3 1 31 125 7 LEU CD2 C 23.498 0.3 1 32 125 7 LEU CG C 26.999 0.3 1 33 125 7 LEU N N 121.785 0.3 1 34 126 8 GLY HA2 H 3.931 0.020 1 35 126 8 GLY CA C 46.232 0.3 1 36 126 8 GLY N N 109.972 0.3 1 37 127 9 GLY HA2 H 3.972 0.020 1 38 127 9 GLY CA C 45.074 0.3 1 39 127 9 GLY N N 109.097 0.3 1 40 128 10 TYR HA H 4.487 0.020 1 41 128 10 TYR HB2 H 2.967 0.020 2 42 128 10 TYR HB3 H 2.871 0.020 2 43 128 10 TYR CA C 58.051 0.3 1 44 128 10 TYR CB C 40.048 0.3 1 45 128 10 TYR CD1 C 134.234 0.3 1 46 128 10 TYR CE1 C 119.653 0.3 1 47 128 10 TYR N N 117.791 0.3 1 48 129 11 MET HA H 4.557 0.020 1 49 129 11 MET HB2 H 1.045 0.020 2 50 129 11 MET HB3 H 1.622 0.020 2 51 129 11 MET CA C 53.719 0.3 1 52 129 11 MET CB C 34.524 0.3 1 53 129 11 MET CE C 17.122 0.3 1 54 129 11 MET CG C 31.840 0.3 1 55 129 11 MET N N 121.330 0.3 1 56 130 12 LEU HA H 4.468 0.020 1 57 130 12 LEU HB2 H 0.993 0.020 2 58 130 12 LEU HB3 H 1.641 0.020 2 59 130 12 LEU HG H 1.422 0.020 1 60 130 12 LEU CA C 53.331 0.3 1 61 130 12 LEU CB C 43.365 0.3 1 62 130 12 LEU CD1 C 21.603 0.3 1 63 130 12 LEU CD2 C 25.774 0.3 1 64 130 12 LEU CG C 25.845 0.3 1 65 130 12 LEU N N 121.278 0.3 1 66 131 13 GLY HA2 H 4.468 0.020 1 67 131 13 GLY CA C 44.981 0.3 1 68 131 13 GLY N N 115.285 0.3 1 69 132 14 SER HA H 4.437 0.020 1 70 132 14 SER HB2 H 3.943 0.020 2 71 132 14 SER HB3 H 4.013 0.020 2 72 132 14 SER CA C 58.410 0.3 1 73 132 14 SER CB C 63.933 0.3 1 74 132 14 SER N N 113.668 0.3 1 75 133 15 ALA HA H 4.448 0.020 1 76 133 15 ALA CA C 52.871 0.3 1 77 133 15 ALA CB C 18.314 0.3 1 78 133 15 ALA N N 125.543 0.3 1 79 134 16 MET HA H 4.773 0.020 1 80 134 16 MET HB2 H 2.087 0.020 2 81 134 16 MET HB3 H 2.028 0.020 2 82 134 16 MET HG2 H 2.580 0.020 2 83 134 16 MET HG3 H 2.484 0.020 2 84 134 16 MET CA C 53.834 0.3 1 85 134 16 MET CB C 36.793 0.3 1 86 134 16 MET CE C 17.931 0.3 1 87 134 16 MET CG C 31.472 0.3 1 88 134 16 MET N N 121.580 0.3 1 89 135 17 SER HA H 4.347 0.020 1 90 135 17 SER HB2 H 3.867 0.020 2 91 135 17 SER HB3 H 3.777 0.020 2 92 135 17 SER CA C 58.683 0.3 1 93 135 17 SER CB C 63.015 0.3 1 94 135 17 SER N N 116.004 0.3 1 95 136 18 ARG HA H 4.432 0.020 1 96 136 18 ARG HD2 H 3.193 0.020 2 97 136 18 ARG HD3 H 3.164 0.020 2 98 136 18 ARG HE H 6.866 0.020 1 99 136 18 ARG HG2 H 1.697 0.020 2 100 136 18 ARG HG3 H 1.720 0.020 2 101 136 18 ARG CA C 54.971 0.3 1 102 136 18 ARG CB C 28.878 0.3 1 103 136 18 ARG CD C 43.797 0.3 1 104 136 18 ARG CG C 29.295 0.3 1 105 136 18 ARG N N 126.442 0.3 1 106 136 18 ARG NE N 85.823 0.3 1 107 137 19 PRO HA H 4.469 0.020 1 108 137 19 PRO HB2 H 1.816 0.020 2 109 137 19 PRO HB3 H 2.280 0.020 2 110 137 19 PRO HD2 H 3.716 0.020 2 111 137 19 PRO HD3 H 3.970 0.020 2 112 137 19 PRO HG2 H 2.060 0.020 2 113 137 19 PRO HG3 H 2.080 0.020 2 114 137 19 PRO CA C 62.234 0.3 1 115 137 19 PRO CB C 32.272 0.3 1 116 137 19 PRO CD C 50.584 0.3 1 117 137 19 PRO CG C 27.288 0.3 1 118 138 20 MET HA H 4.924 0.020 1 119 138 20 MET HB2 H 2.061 0.020 2 120 138 20 MET HB3 H 2.034 0.020 2 121 138 20 MET HG2 H 2.726 0.020 2 122 138 20 MET HG3 H 2.347 0.020 2 123 138 20 MET CA C 54.022 0.3 1 124 138 20 MET CB C 30.151 0.3 1 125 138 20 MET CE C 16.349 0.3 1 126 138 20 MET CG C 31.772 0.3 1 127 138 20 MET N N 122.179 0.3 1 128 139 21 ILE HA H 3.862 0.020 1 129 139 21 ILE HB H 0.801 0.020 1 130 139 21 ILE HG12 H 0.939 0.020 2 131 139 21 ILE HG13 H 0.768 0.020 2 132 139 21 ILE CA C 59.404 0.3 1 133 139 21 ILE CB C 38.971 0.3 1 134 139 21 ILE CD1 C 12.494 0.3 1 135 139 21 ILE CG1 C 26.550 0.3 1 136 139 21 ILE CG2 C 17.041 0.3 1 137 139 21 ILE N N 124.729 0.3 1 138 140 22 HIS HA H 4.956 0.020 1 139 140 22 HIS HB2 H 3.335 0.020 2 140 140 22 HIS HB3 H 2.988 0.020 2 141 140 22 HIS HD2 H 7.268 0.020 1 142 140 22 HIS HE1 H 8.632 0.020 1 143 140 22 HIS CA C 54.215 0.3 1 144 140 22 HIS CB C 29.439 0.3 1 145 140 22 HIS CD2 C 121.217 0.3 1 146 140 22 HIS CE1 C 137.662 0.3 1 147 140 22 HIS N N 121.953 0.3 1 148 141 23 PHE HA H 4.290 0.020 1 149 141 23 PHE HB2 H 2.829 0.020 2 150 141 23 PHE HB3 H 3.313 0.020 2 151 141 23 PHE HZ H 6.784 0.020 1 152 141 23 PHE CA C 59.645 0.3 1 153 141 23 PHE CB C 40.799 0.3 1 154 141 23 PHE CD1 C 133.403 0.3 1 155 141 23 PHE CE1 C 132.440 0.3 1 156 141 23 PHE CZ C 130.466 0.3 1 157 141 23 PHE N N 124.747 0.3 1 158 142 24 GLY HA2 H 4.156 0.020 1 159 142 24 GLY CA C 45.673 0.3 1 160 142 24 GLY N N 109.111 0.3 1 161 143 25 ASN HA H 4.925 0.020 1 162 143 25 ASN HB2 H 2.751 0.020 2 163 143 25 ASN HB3 H 2.731 0.020 2 164 143 25 ASN HD21 H 7.612 0.020 1 165 143 25 ASN HD22 H 7.474 0.020 1 166 143 25 ASN CA C 52.629 0.3 1 167 143 25 ASN CB C 41.505 0.3 1 168 143 25 ASN N N 114.479 0.3 1 169 143 25 ASN ND2 N 115.932 0.3 1 170 144 26 ASP HA H 4.476 0.020 1 171 144 26 ASP CA C 57.815 0.3 1 172 144 26 ASP CB C 40.950 0.3 1 173 144 26 ASP N N 123.545 0.3 1 174 145 27 TRP HA H 4.257 0.020 1 175 145 27 TRP HD1 H 7.382 0.020 1 176 145 27 TRP HE1 H 10.249 0.020 1 177 145 27 TRP HE3 H 7.377 0.020 1 178 145 27 TRP HH2 H 6.913 0.020 1 179 145 27 TRP HZ2 H 7.462 0.020 1 180 145 27 TRP HZ3 H 6.746 0.020 1 181 145 27 TRP CA C 61.808 0.3 1 182 145 27 TRP CB C 28.236 0.3 1 183 145 27 TRP CD1 C 128.885 0.3 1 184 145 27 TRP CE3 C 121.888 0.3 1 185 145 27 TRP CH2 C 126.175 0.3 1 186 145 27 TRP CZ2 C 116.091 0.3 1 187 145 27 TRP CZ3 C 122.461 0.3 1 188 145 27 TRP N N 120.546 0.3 1 189 145 27 TRP NE1 N 129.561 0.3 1 190 146 28 GLU HA H 3.486 0.020 1 191 146 28 GLU HB2 H 1.868 0.020 2 192 146 28 GLU HB3 H 1.300 0.020 2 193 146 28 GLU HG2 H 2.188 0.020 2 194 146 28 GLU HG3 H 1.658 0.020 2 195 146 28 GLU CA C 59.737 0.3 1 196 146 28 GLU CB C 29.355 0.3 1 197 146 28 GLU CG C 36.666 0.3 1 198 146 28 GLU N N 120.315 0.3 1 199 147 29 ASP HA H 4.730 0.020 1 200 147 29 ASP HB2 H 2.878 0.020 2 201 147 29 ASP HB3 H 2.903 0.020 2 202 147 29 ASP CA C 58.516 0.3 1 203 147 29 ASP CB C 40.372 0.3 1 204 147 29 ASP N N 119.042 0.3 1 205 148 30 ARG HA H 4.002 0.020 1 206 148 30 ARG HD2 H 3.239 0.020 2 207 148 30 ARG HD3 H 3.212 0.020 2 208 148 30 ARG HE H 7.460 0.020 1 209 148 30 ARG HG2 H 1.752 0.020 2 210 148 30 ARG HG3 H 1.515 0.020 2 211 148 30 ARG CA C 59.567 0.3 1 212 148 30 ARG CB C 29.817 0.3 1 213 148 30 ARG CD C 43.545 0.3 1 214 148 30 ARG CG C 27.705 0.3 1 215 148 30 ARG N N 120.032 0.3 1 216 148 30 ARG NE N 85.171 0.3 1 217 149 31 TYR HA H 3.754 0.020 1 218 149 31 TYR HB2 H 2.332 0.020 2 219 149 31 TYR HB3 H 2.324 0.020 2 220 149 31 TYR CA C 62.148 0.3 1 221 149 31 TYR CB C 38.075 0.3 1 222 149 31 TYR CD1 C 134.874 0.3 1 223 149 31 TYR CE1 C 119.259 0.3 1 224 149 31 TYR N N 120.970 0.3 1 225 150 32 TYR HA H 4.117 0.020 1 226 150 32 TYR HB2 H 3.567 0.020 2 227 150 32 TYR HB3 H 3.245 0.020 2 228 150 32 TYR CA C 63.107 0.3 1 229 150 32 TYR CB C 38.376 0.3 1 230 150 32 TYR CD1 C 134.932 0.3 1 231 150 32 TYR CE1 C 119.671 0.3 1 232 150 32 TYR N N 120.431 0.3 1 233 151 33 ARG HA H 3.893 0.020 1 234 151 33 ARG HB2 H 1.974 0.020 2 235 151 33 ARG HB3 H 2.044 0.020 2 236 151 33 ARG HD2 H 3.382 0.020 2 237 151 33 ARG HD3 H 3.297 0.020 2 238 151 33 ARG HE H 7.474 0.020 1 239 151 33 ARG HG2 H 1.998 0.020 2 240 151 33 ARG HG3 H 1.762 0.020 2 241 151 33 ARG CA C 59.882 0.3 1 242 151 33 ARG CB C 29.728 0.3 1 243 151 33 ARG CD C 43.516 0.3 1 244 151 33 ARG CG C 28.357 0.3 1 245 151 33 ARG N N 117.286 0.3 1 246 151 33 ARG NE N 84.744 0.3 1 247 152 34 GLU HA H 4.056 0.020 1 248 152 34 GLU HG2 H 2.461 0.020 2 249 152 34 GLU HG3 H 2.452 0.020 2 250 152 34 GLU CA C 57.558 0.3 1 251 152 34 GLU CB C 29.582 0.3 1 252 152 34 GLU CG C 35.267 0.3 1 253 152 34 GLU N N 115.349 0.3 1 254 153 35 ASN HA H 4.525 0.020 1 255 153 35 ASN HB2 H 2.364 0.020 2 256 153 35 ASN HB3 H 2.174 0.020 2 257 153 35 ASN HD21 H 6.750 0.020 1 258 153 35 ASN HD22 H 6.547 0.020 1 259 153 35 ASN CA C 54.655 0.3 1 260 153 35 ASN CB C 41.230 0.3 1 261 153 35 ASN N N 115.829 0.3 1 262 153 35 ASN ND2 N 117.136 0.3 1 263 154 36 MET HA H 3.601 0.020 1 264 154 36 MET HB2 H 1.699 0.020 2 265 154 36 MET HB3 H 1.326 0.020 2 266 154 36 MET HG2 H 2.186 0.020 2 267 154 36 MET HG3 H 1.981 0.020 2 268 154 36 MET CA C 59.200 0.3 1 269 154 36 MET CB C 30.799 0.3 1 270 154 36 MET CE C 17.193 0.3 1 271 154 36 MET CG C 29.717 0.3 1 272 154 36 MET N N 118.075 0.3 1 273 155 37 ASN HA H 4.427 0.020 1 274 155 37 ASN HB2 H 2.711 0.020 2 275 155 37 ASN HB3 H 2.782 0.020 2 276 155 37 ASN HD21 H 7.491 0.020 1 277 155 37 ASN HD22 H 6.824 0.020 1 278 155 37 ASN CA C 54.482 0.3 1 279 155 37 ASN CB C 37.167 0.3 1 280 155 37 ASN N N 115.941 0.3 1 281 155 37 ASN ND2 N 112.313 0.3 1 282 156 38 ARG HA H 4.244 0.020 1 283 156 38 ARG HB2 H 1.547 0.020 2 284 156 38 ARG HB3 H 2.093 0.020 2 285 156 38 ARG HD2 H 3.372 0.020 2 286 156 38 ARG HD3 H 3.263 0.020 2 287 156 38 ARG HE H 7.340 0.020 1 288 156 38 ARG HG2 H 1.620 0.020 2 289 156 38 ARG HG3 H 1.593 0.020 2 290 156 38 ARG HH21 H 6.428 0.020 1 291 156 38 ARG CA C 56.726 0.3 1 292 156 38 ARG CB C 30.533 0.3 1 293 156 38 ARG CD C 44.379 0.3 1 294 156 38 ARG CG C 27.742 0.3 1 295 156 38 ARG N N 117.628 0.3 1 296 156 38 ARG NE N 84.620 0.3 1 297 157 39 TYR HA H 5.092 0.020 1 298 157 39 TYR CA C 53.174 0.3 1 299 157 39 TYR CB C 35.244 0.3 1 300 157 39 TYR CD1 C 132.882 0.3 1 301 157 39 TYR CE1 C 118.950 0.3 1 302 157 39 TYR N N 120.358 0.3 1 303 158 40 PRO HA H 4.526 0.020 1 304 158 40 PRO HB2 H 1.786 0.020 2 305 158 40 PRO HB3 H 2.502 0.020 2 306 158 40 PRO HD2 H 3.290 0.020 2 307 158 40 PRO HD3 H 3.557 0.020 2 308 158 40 PRO HG2 H 1.644 0.020 2 309 158 40 PRO HG3 H 1.471 0.020 2 310 158 40 PRO CA C 63.442 0.3 1 311 158 40 PRO CB C 32.459 0.3 1 312 158 40 PRO CD C 50.182 0.3 1 313 158 40 PRO CG C 27.387 0.3 1 314 159 41 ASN HA H 4.781 0.020 1 315 159 41 ASN HB2 H 3.792 0.020 2 316 159 41 ASN HB3 H 2.457 0.020 2 317 159 41 ASN HD21 H 7.499 0.020 1 318 159 41 ASN HD22 H 6.797 0.020 1 319 159 41 ASN CA C 51.637 0.3 1 320 159 41 ASN CB C 38.012 0.3 1 321 159 41 ASN N N 115.773 0.3 1 322 159 41 ASN ND2 N 108.886 0.3 1 323 160 42 GLN HA H 4.637 0.020 1 324 160 42 GLN HB2 H 2.012 0.020 2 325 160 42 GLN HB3 H 1.729 0.020 2 326 160 42 GLN HE21 H 7.946 0.020 1 327 160 42 GLN HE22 H 7.039 0.020 1 328 160 42 GLN HG2 H 2.190 0.020 2 329 160 42 GLN HG3 H 2.069 0.020 2 330 160 42 GLN CA C 54.087 0.3 1 331 160 42 GLN CB C 33.906 0.3 1 332 160 42 GLN CG C 34.242 0.3 1 333 160 42 GLN N N 113.772 0.3 1 334 160 42 GLN NE2 N 112.879 0.3 1 335 161 43 VAL HA H 4.967 0.020 1 336 161 43 VAL HB H 2.644 0.020 1 337 161 43 VAL CA C 58.707 0.3 1 338 161 43 VAL CB C 34.056 0.3 1 339 161 43 VAL CG1 C 23.709 0.3 1 340 161 43 VAL CG2 C 18.132 0.3 1 341 161 43 VAL N N 113.015 0.3 1 342 162 44 TYR HA H 5.609 0.020 1 343 162 44 TYR HB2 H 2.651 0.020 2 344 162 44 TYR HB3 H 2.585 0.020 2 345 162 44 TYR CA C 56.842 0.3 1 346 162 44 TYR CB C 41.865 0.3 1 347 162 44 TYR CD1 C 134.262 0.3 1 348 162 44 TYR CE1 C 119.788 0.3 1 349 162 44 TYR N N 121.230 0.3 1 350 163 45 TYR HA H 4.721 0.020 1 351 163 45 TYR HB2 H 2.895 0.020 2 352 163 45 TYR HB3 H 2.867 0.020 2 353 163 45 TYR CA C 55.246 0.3 1 354 163 45 TYR CB C 40.073 0.3 1 355 163 45 TYR CD1 C 135.472 0.3 1 356 163 45 TYR CE1 C 119.029 0.3 1 357 163 45 TYR N N 111.055 0.3 1 358 164 46 ARG HA H 4.672 0.020 1 359 164 46 ARG HB2 H 1.764 0.020 2 360 164 46 ARG HB3 H 1.886 0.020 2 361 164 46 ARG HD2 H 2.844 0.020 2 362 164 46 ARG HD3 H 2.890 0.020 2 363 164 46 ARG HE H 6.597 0.020 1 364 164 46 ARG HG2 H 1.141 0.020 2 365 164 46 ARG HG3 H 0.976 0.020 2 366 164 46 ARG CA C 53.536 0.3 1 367 164 46 ARG CB C 30.121 0.3 1 368 164 46 ARG CD C 43.619 0.3 1 369 164 46 ARG CG C 27.815 0.3 1 370 164 46 ARG N N 120.484 0.3 1 371 164 46 ARG NE N 84.543 0.3 1 372 165 47 PRO HA H 4.607 0.020 1 373 165 47 PRO HB2 H 1.997 0.020 2 374 165 47 PRO HB3 H 2.513 0.020 2 375 165 47 PRO HD2 H 3.708 0.020 2 376 165 47 PRO HD3 H 3.471 0.020 2 377 165 47 PRO HG2 H 2.189 0.020 2 378 165 47 PRO HG3 H 2.048 0.020 2 379 165 47 PRO CA C 63.514 0.3 1 380 165 47 PRO CB C 32.607 0.3 1 381 165 47 PRO CD C 50.091 0.3 1 382 165 47 PRO CG C 28.331 0.3 1 383 166 48 VAL HA H 4.277 0.020 1 384 166 48 VAL HB H 2.052 0.020 1 385 166 48 VAL CA C 65.477 0.3 1 386 166 48 VAL CB C 32.298 0.3 1 387 166 48 VAL CG1 C 21.547 0.3 1 388 166 48 VAL CG2 C 21.542 0.3 1 389 166 48 VAL N N 119.234 0.3 1 390 167 49 ASP HA H 4.491 0.020 1 391 167 49 ASP HB2 H 2.985 0.020 2 392 167 49 ASP HB3 H 2.514 0.020 2 393 167 49 ASP CA C 54.157 0.3 1 394 167 49 ASP CB C 38.720 0.3 1 395 167 49 ASP N N 117.539 0.3 1 396 168 50 GLN HA H 4.131 0.020 1 397 168 50 GLN HB2 H 1.774 0.020 2 398 168 50 GLN HB3 H 1.941 0.020 2 399 168 50 GLN HE21 H 7.633 0.020 1 400 168 50 GLN HE22 H 6.853 0.020 1 401 168 50 GLN CA C 55.793 0.3 1 402 168 50 GLN CB C 27.414 0.3 1 403 168 50 GLN CG C 34.131 0.3 1 404 168 50 GLN N N 117.624 0.3 1 405 168 50 GLN NE2 N 112.772 0.3 1 406 169 51 TYR HA H 4.905 0.020 1 407 169 51 TYR HB2 H 3.337 0.020 2 408 169 51 TYR HB3 H 3.095 0.020 2 409 169 51 TYR CA C 57.032 0.3 1 410 169 51 TYR CB C 41.975 0.3 1 411 169 51 TYR CD1 C 135.332 0.3 1 412 169 51 TYR CE1 C 120.088 0.3 1 413 169 51 TYR N N 117.068 0.3 1 414 170 52 ASN HA H 4.885 0.020 1 415 170 52 ASN HB2 H 2.998 0.020 2 416 170 52 ASN HB3 H 2.948 0.020 2 417 170 52 ASN HD21 H 7.667 0.020 1 418 170 52 ASN HD22 H 6.866 0.020 1 419 170 52 ASN CA C 53.519 0.3 1 420 170 52 ASN CB C 38.822 0.3 1 421 170 52 ASN N N 117.237 0.3 1 422 170 52 ASN ND2 N 112.018 0.3 1 423 171 53 ASN HA H 4.775 0.020 1 424 171 53 ASN HB2 H 3.138 0.020 2 425 171 53 ASN HB3 H 3.028 0.020 2 426 171 53 ASN HD21 H 7.628 0.020 1 427 171 53 ASN HD22 H 6.755 0.020 1 428 171 53 ASN CA C 52.594 0.3 1 429 171 53 ASN CB C 40.080 0.3 1 430 171 53 ASN N N 113.278 0.3 1 431 171 53 ASN ND2 N 113.498 0.3 1 432 172 54 GLN HA H 2.902 0.020 1 433 172 54 GLN HB2 H 1.706 0.020 2 434 172 54 GLN HB3 H 1.616 0.020 2 435 172 54 GLN HE21 H 7.238 0.020 1 436 172 54 GLN HE22 H 6.909 0.020 1 437 172 54 GLN HG2 H 1.842 0.020 2 438 172 54 GLN HG3 H 1.165 0.020 2 439 172 54 GLN CA C 58.777 0.3 1 440 172 54 GLN CB C 29.346 0.3 1 441 172 54 GLN CG C 33.479 0.3 1 442 172 54 GLN N N 120.676 0.3 1 443 172 54 GLN NE2 N 111.676 0.3 1 444 173 55 ASN HA H 4.268 0.020 1 445 173 55 ASN HB2 H 2.689 0.020 2 446 173 55 ASN HB3 H 2.803 0.020 2 447 173 55 ASN HD21 H 7.632 0.020 1 448 173 55 ASN HD22 H 7.002 0.020 1 449 173 55 ASN CA C 56.408 0.3 1 450 173 55 ASN CB C 37.661 0.3 1 451 173 55 ASN N N 117.457 0.3 1 452 173 55 ASN ND2 N 112.868 0.3 1 453 174 56 ASN HA H 4.638 0.020 1 454 174 56 ASN HB2 H 3.253 0.020 2 455 174 56 ASN HB3 H 2.997 0.020 2 456 174 56 ASN HD21 H 8.056 0.020 1 457 174 56 ASN HD22 H 7.190 0.020 1 458 174 56 ASN CA C 56.045 0.3 1 459 174 56 ASN CB C 38.189 0.3 1 460 174 56 ASN N N 118.416 0.3 1 461 174 56 ASN ND2 N 112.269 0.3 1 462 175 57 PHE HB2 H 2.538 0.020 2 463 175 57 PHE HB3 H 3.138 0.020 2 464 175 57 PHE HZ H 6.746 0.020 1 465 175 57 PHE CA C 60.878 0.3 1 466 175 57 PHE CB C 38.568 0.3 1 467 175 57 PHE CD1 C 135.512 0.3 1 468 175 57 PHE CE1 C 133.478 0.3 1 469 175 57 PHE CZ C 130.561 0.3 1 470 175 57 PHE N N 121.684 0.3 1 471 176 58 VAL HA H 3.462 0.020 1 472 176 58 VAL HB H 2.228 0.020 1 473 176 58 VAL CA C 67.573 0.3 1 474 176 58 VAL CB C 31.954 0.3 1 475 176 58 VAL CG1 C 21.633 0.3 1 476 176 58 VAL CG2 C 24.404 0.3 1 477 176 58 VAL N N 120.257 0.3 1 478 177 59 HIS HA H 4.344 0.020 1 479 177 59 HIS HB2 H 3.426 0.020 2 480 177 59 HIS HB3 H 3.375 0.020 2 481 177 59 HIS HD2 H 7.439 0.020 1 482 177 59 HIS HE1 H 8.683 0.020 1 483 177 59 HIS CA C 59.203 0.3 1 484 177 59 HIS CB C 28.310 0.3 1 485 177 59 HIS CD2 C 121.480 0.3 1 486 177 59 HIS CE1 C 137.644 0.3 1 487 177 59 HIS N N 116.611 0.3 1 488 178 60 ASP HA H 4.616 0.020 1 489 178 60 ASP HB2 H 3.042 0.020 2 490 178 60 ASP HB3 H 3.015 0.020 2 491 178 60 ASP CA C 57.166 0.3 1 492 178 60 ASP CB C 40.785 0.3 1 493 178 60 ASP N N 118.688 0.3 1 494 179 61 CYS HA H 4.755 0.020 1 495 179 61 CYS HB2 H 3.285 0.020 2 496 179 61 CYS HB3 H 2.881 0.020 2 497 179 61 CYS CA C 58.616 0.3 1 498 179 61 CYS CB C 40.455 0.3 1 499 179 61 CYS N N 119.621 0.3 1 500 180 62 VAL HA H 3.683 0.020 1 501 180 62 VAL HB H 2.197 0.020 1 502 180 62 VAL CA C 66.121 0.3 1 503 180 62 VAL CB C 31.980 0.3 1 504 180 62 VAL CG1 C 21.704 0.3 1 505 180 62 VAL CG2 C 23.692 0.3 1 506 180 62 VAL N N 124.724 0.3 1 507 181 63 ASN HA H 4.358 0.020 1 508 181 63 ASN HB2 H 2.916 0.020 2 509 181 63 ASN HB3 H 2.833 0.020 2 510 181 63 ASN HD21 H 7.695 0.020 1 511 181 63 ASN HD22 H 6.816 0.020 1 512 181 63 ASN CA C 56.590 0.3 1 513 181 63 ASN CB C 38.705 0.3 1 514 181 63 ASN N N 116.488 0.3 1 515 181 63 ASN ND2 N 112.020 0.3 1 516 182 64 ILE HA H 3.759 0.020 1 517 182 64 ILE HB H 1.608 0.020 1 518 182 64 ILE HG12 H 0.922 0.020 2 519 182 64 ILE HG13 H 0.863 0.020 2 520 182 64 ILE CA C 62.316 0.3 1 521 182 64 ILE CB C 36.499 0.3 1 522 182 64 ILE CD1 C 11.271 0.3 1 523 182 64 ILE CG1 C 27.486 0.3 1 524 182 64 ILE CG2 C 18.291 0.3 1 525 182 64 ILE N N 118.954 0.3 1 526 183 65 THR HA H 4.094 0.020 1 527 183 65 THR HB H 4.542 0.020 1 528 183 65 THR HG1 H 6.465 0.020 1 529 183 65 THR CA C 68.779 0.3 1 530 183 65 THR CB C 68.321 0.3 1 531 183 65 THR CG2 C 22.266 0.3 1 532 183 65 THR N N 118.184 0.3 1 533 184 66 ILE HA H 3.786 0.020 1 534 184 66 ILE HB H 2.157 0.020 1 535 184 66 ILE HG12 H 1.860 0.020 2 536 184 66 ILE HG13 H 1.328 0.020 2 537 184 66 ILE CA C 65.544 0.3 1 538 184 66 ILE CB C 36.723 0.3 1 539 184 66 ILE CD1 C 12.732 0.3 1 540 184 66 ILE CG1 C 29.566 0.3 1 541 184 66 ILE CG2 C 16.849 0.3 1 542 184 66 ILE N N 120.927 0.3 1 543 185 67 LYS HA H 4.102 0.020 1 544 185 67 LYS HG2 H 1.530 0.020 2 545 185 67 LYS HG3 H 1.428 0.020 2 546 185 67 LYS CA C 59.847 0.3 1 547 185 67 LYS CB C 32.260 0.3 1 548 185 67 LYS CD C 29.095 0.3 1 549 185 67 LYS CE C 41.955 0.3 1 550 185 67 LYS CG C 25.036 0.3 1 551 185 67 LYS N N 122.711 0.3 1 552 186 68 GLN HA H 4.072 0.020 1 553 186 68 GLN HB2 H 2.010 0.020 2 554 186 68 GLN HB3 H 1.898 0.020 2 555 186 68 GLN HE21 H 6.750 0.020 1 556 186 68 GLN HE22 H 6.774 0.020 1 557 186 68 GLN HG2 H 2.126 0.020 2 558 186 68 GLN HG3 H 1.517 0.020 2 559 186 68 GLN CA C 57.320 0.3 1 560 186 68 GLN CB C 28.261 0.3 1 561 186 68 GLN CG C 33.344 0.3 1 562 186 68 GLN N N 116.267 0.3 1 563 186 68 GLN NE2 N 110.168 0.3 1 564 187 69 HIS HA H 4.652 0.020 1 565 187 69 HIS HB2 H 3.457 0.020 2 566 187 69 HIS HB3 H 3.348 0.020 2 567 187 69 HIS HD2 H 7.450 0.020 1 568 187 69 HIS HE1 H 8.360 0.020 1 569 187 69 HIS CA C 58.124 0.3 1 570 187 69 HIS CB C 29.535 0.3 1 571 187 69 HIS CD2 C 120.914 0.3 1 572 187 69 HIS CE1 C 138.903 0.3 1 573 187 69 HIS N N 117.680 0.3 1 574 188 70 THR HA H 4.317 0.020 1 575 188 70 THR HB H 4.439 0.020 1 576 188 70 THR CA C 64.334 0.3 1 577 188 70 THR CB C 69.364 0.3 1 578 188 70 THR CG2 C 21.509 0.3 1 579 188 70 THR N N 114.027 0.3 1 580 189 71 VAL HA H 4.107 0.020 1 581 189 71 VAL HB H 2.238 0.020 1 582 189 71 VAL CA C 64.233 0.3 1 583 189 71 VAL CB C 32.126 0.3 1 584 189 71 VAL CG1 C 21.018 0.3 1 585 189 71 VAL CG2 C 21.219 0.3 1 586 189 71 VAL N N 121.981 0.3 1 587 190 72 THR HA H 4.344 0.020 1 588 190 72 THR HB H 4.309 0.020 1 589 190 72 THR CA C 63.226 0.3 1 590 190 72 THR CB C 69.320 0.3 1 591 190 72 THR CG2 C 21.592 0.3 1 592 190 72 THR N N 115.394 0.3 1 593 191 73 THR HA H 4.341 0.020 1 594 191 73 THR HB H 4.253 0.020 1 595 191 73 THR CA C 63.146 0.3 1 596 191 73 THR CB C 69.239 0.3 1 597 191 73 THR CG2 C 21.477 0.3 1 598 191 73 THR N N 115.117 0.3 1 599 192 74 THR HA H 4.440 0.020 1 600 192 74 THR HB H 4.405 0.020 1 601 192 74 THR CA C 63.261 0.3 1 602 192 74 THR CB C 69.409 0.3 1 603 192 74 THR CG2 C 21.521 0.3 1 604 192 74 THR N N 116.337 0.3 1 605 193 75 THR HA H 4.306 0.020 1 606 193 75 THR HB H 4.311 0.020 1 607 193 75 THR CA C 63.165 0.3 1 608 193 75 THR CB C 69.294 0.3 1 609 193 75 THR CG2 C 21.487 0.3 1 610 193 75 THR N N 116.260 0.3 1 611 194 76 LYS HA H 4.350 0.020 1 612 194 76 LYS HB2 H 1.945 0.020 2 613 194 76 LYS HB3 H 1.843 0.020 2 614 194 76 LYS HG2 H 1.526 0.020 2 615 194 76 LYS HG3 H 1.453 0.020 2 616 194 76 LYS CA C 56.598 0.3 1 617 194 76 LYS CB C 32.487 0.3 1 618 194 76 LYS CD C 29.075 0.3 1 619 194 76 LYS CE C 42.047 0.3 1 620 194 76 LYS CG C 24.820 0.3 1 621 194 76 LYS N N 121.544 0.3 1 622 195 77 GLY HA2 H 4.061 0.020 1 623 195 77 GLY CA C 45.412 0.3 1 624 195 77 GLY N N 109.306 0.3 1 625 196 78 GLU HA H 4.306 0.020 1 626 196 78 GLU CA C 55.734 0.3 1 627 196 78 GLU CB C 30.092 0.3 1 628 196 78 GLU CG C 35.021 0.3 1 629 196 78 GLU N N 120.003 0.3 1 630 197 79 ASN HA H 4.714 0.020 1 631 197 79 ASN HB2 H 2.789 0.020 2 632 197 79 ASN HB3 H 2.700 0.020 2 633 197 79 ASN HD21 H 7.593 0.020 1 634 197 79 ASN HD22 H 6.884 0.020 1 635 197 79 ASN CA C 52.990 0.3 1 636 197 79 ASN CB C 39.504 0.3 1 637 197 79 ASN N N 119.875 0.3 1 638 197 79 ASN ND2 N 113.125 0.3 1 639 198 80 PHE HA H 5.288 0.020 1 640 198 80 PHE HB2 H 3.073 0.020 2 641 198 80 PHE HB3 H 3.247 0.020 2 642 198 80 PHE HD1 H 7.412 0.020 3 643 198 80 PHE HD2 H 7.449 0.020 3 644 198 80 PHE HE1 H 7.516 0.020 3 645 198 80 PHE HE2 H 7.453 0.020 3 646 198 80 PHE CA C 56.855 0.3 1 647 198 80 PHE CB C 39.894 0.3 1 648 198 80 PHE CD1 C 132.871 0.3 1 649 198 80 PHE CE1 C 131.206 0.3 1 650 198 80 PHE N N 122.174 0.3 1 651 199 81 THR HA H 4.649 0.020 1 652 199 81 THR HB H 4.887 0.020 1 653 199 81 THR CA C 60.742 0.3 1 654 199 81 THR CB C 72.166 0.3 1 655 199 81 THR CG2 C 21.705 0.3 1 656 199 81 THR N N 116.348 0.3 1 657 200 82 GLU HA H 4.151 0.020 1 658 200 82 GLU HB2 H 2.181 0.020 2 659 200 82 GLU HB3 H 2.113 0.020 2 660 200 82 GLU HG2 H 2.493 0.020 2 661 200 82 GLU HG3 H 2.448 0.020 2 662 200 82 GLU CA C 59.594 0.3 1 663 200 82 GLU CB C 28.447 0.3 1 664 200 82 GLU CG C 35.058 0.3 1 665 200 82 GLU N N 119.942 0.3 1 666 201 83 THR HA H 3.864 0.020 1 667 201 83 THR HB H 3.815 0.020 1 668 201 83 THR CA C 66.769 0.3 1 669 201 83 THR CB C 68.701 0.3 1 670 201 83 THR CG2 C 21.391 0.3 1 671 201 83 THR N N 116.428 0.3 1 672 202 84 ASP HA H 4.615 0.020 1 673 202 84 ASP HB2 H 3.265 0.020 2 674 202 84 ASP HB3 H 2.501 0.020 2 675 202 84 ASP CA C 57.940 0.3 1 676 202 84 ASP CB C 41.113 0.3 1 677 202 84 ASP N N 120.328 0.3 1 678 203 85 VAL HA H 3.445 0.020 1 679 203 85 VAL HB H 2.209 0.020 1 680 203 85 VAL CA C 67.591 0.3 1 681 203 85 VAL CB C 31.601 0.3 1 682 203 85 VAL CG1 C 22.770 0.3 1 683 203 85 VAL CG2 C 21.109 0.3 1 684 203 85 VAL N N 119.843 0.3 1 685 204 86 LYS HA H 4.122 0.020 1 686 204 86 LYS HG2 H 1.674 0.020 2 687 204 86 LYS HG3 H 1.481 0.020 2 688 204 86 LYS CA C 59.395 0.3 1 689 204 86 LYS CB C 32.175 0.3 1 690 204 86 LYS CD C 29.240 0.3 1 691 204 86 LYS CE C 42.095 0.3 1 692 204 86 LYS CG C 25.121 0.3 1 693 204 86 LYS N N 119.308 0.3 1 694 205 87 MET HA H 4.184 0.020 1 695 205 87 MET HB2 H 2.363 0.020 2 696 205 87 MET HB3 H 1.929 0.020 2 697 205 87 MET HG2 H 3.046 0.020 2 698 205 87 MET HG3 H 2.381 0.020 2 699 205 87 MET CA C 59.699 0.3 1 700 205 87 MET CB C 32.782 0.3 1 701 205 87 MET CE C 18.081 0.3 1 702 205 87 MET CG C 33.796 0.3 1 703 205 87 MET N N 118.761 0.3 1 704 206 88 MET HA H 3.623 0.020 1 705 206 88 MET HB2 H 1.903 0.020 2 706 206 88 MET HB3 H 1.926 0.020 2 707 206 88 MET HG2 H 2.105 0.020 2 708 206 88 MET HG3 H 2.011 0.020 2 709 206 88 MET CA C 59.428 0.3 1 710 206 88 MET CB C 33.044 0.3 1 711 206 88 MET CE C 16.345 0.3 1 712 206 88 MET CG C 32.413 0.3 1 713 206 88 MET N N 118.403 0.3 1 714 207 89 GLU HA H 3.745 0.020 1 715 207 89 GLU HB2 H 2.266 0.020 2 716 207 89 GLU HB3 H 2.152 0.020 2 717 207 89 GLU HG2 H 2.621 0.020 2 718 207 89 GLU HG3 H 2.311 0.020 2 719 207 89 GLU CA C 60.455 0.3 1 720 207 89 GLU CB C 27.924 0.3 1 721 207 89 GLU CG C 34.723 0.3 1 722 207 89 GLU N N 118.285 0.3 1 723 208 90 ARG HA H 4.196 0.020 1 724 208 90 ARG HB2 H 1.957 0.020 2 725 208 90 ARG HB3 H 2.125 0.020 2 726 208 90 ARG HD2 H 3.260 0.020 2 727 208 90 ARG HD3 H 3.176 0.020 2 728 208 90 ARG HE H 7.319 0.020 1 729 208 90 ARG HG2 H 1.832 0.020 2 730 208 90 ARG HG3 H 1.780 0.020 2 731 208 90 ARG CA C 58.319 0.3 1 732 208 90 ARG CB C 29.758 0.3 1 733 208 90 ARG CD C 42.404 0.3 1 734 208 90 ARG CG C 27.020 0.3 1 735 208 90 ARG N N 117.069 0.3 1 736 208 90 ARG NE N 83.228 0.3 1 737 209 91 VAL HA H 3.728 0.020 1 738 209 91 VAL HB H 2.342 0.020 1 739 209 91 VAL CA C 66.160 0.3 1 740 209 91 VAL CB C 32.417 0.3 1 741 209 91 VAL CG1 C 24.129 0.3 1 742 209 91 VAL CG2 C 21.055 0.3 1 743 209 91 VAL N N 119.520 0.3 1 744 210 92 VAL HA H 3.663 0.020 1 745 210 92 VAL HB H 2.295 0.020 1 746 210 92 VAL CA C 66.557 0.3 1 747 210 92 VAL CB C 31.323 0.3 1 748 210 92 VAL CG1 C 24.432 0.3 1 749 210 92 VAL CG2 C 24.058 0.3 1 750 210 92 VAL N N 120.412 0.3 1 751 211 93 GLU HA H 3.642 0.020 1 752 211 93 GLU HB2 H 2.266 0.020 2 753 211 93 GLU HB3 H 2.175 0.020 2 754 211 93 GLU HG2 H 2.323 0.020 2 755 211 93 GLU HG3 H 2.245 0.020 2 756 211 93 GLU CA C 60.926 0.3 1 757 211 93 GLU CB C 28.357 0.3 1 758 211 93 GLU CG C 35.075 0.3 1 759 211 93 GLU N N 120.374 0.3 1 760 212 94 GLN HA H 4.028 0.020 1 761 212 94 GLN HB2 H 2.171 0.020 2 762 212 94 GLN HB3 H 2.188 0.020 2 763 212 94 GLN HE21 H 7.444 0.020 1 764 212 94 GLN HE22 H 6.827 0.020 1 765 212 94 GLN HG2 H 2.501 0.020 2 766 212 94 GLN HG3 H 2.431 0.020 2 767 212 94 GLN CA C 59.114 0.3 1 768 212 94 GLN CB C 27.921 0.3 1 769 212 94 GLN CG C 33.953 0.3 1 770 212 94 GLN N N 115.615 0.3 1 771 212 94 GLN NE2 N 111.825 0.3 1 772 213 95 MET HA H 4.188 0.020 1 773 213 95 MET HB2 H 2.280 0.020 2 774 213 95 MET HB3 H 2.247 0.020 2 775 213 95 MET HG2 H 2.892 0.020 2 776 213 95 MET HG3 H 2.543 0.020 2 777 213 95 MET CA C 59.931 0.3 1 778 213 95 MET CB C 34.309 0.3 1 779 213 95 MET CE C 17.022 0.3 1 780 213 95 MET CG C 32.658 0.3 1 781 213 95 MET N N 119.426 0.3 1 782 214 96 CYS HA H 4.457 0.020 1 783 214 96 CYS HB2 H 3.568 0.020 2 784 214 96 CYS HB3 H 2.898 0.020 2 785 214 96 CYS CA C 59.944 0.3 1 786 214 96 CYS CB C 41.637 0.3 1 787 214 96 CYS N N 119.250 0.3 1 788 215 97 VAL HA H 3.505 0.020 1 789 215 97 VAL HB H 2.343 0.020 1 790 215 97 VAL CA C 67.609 0.3 1 791 215 97 VAL CB C 31.498 0.3 1 792 215 97 VAL CG1 C 23.767 0.3 1 793 215 97 VAL CG2 C 21.235 0.3 1 794 215 97 VAL N N 123.359 0.3 1 795 216 98 THR HA H 3.939 0.020 1 796 216 98 THR HB H 4.341 0.020 1 797 216 98 THR CA C 66.975 0.3 1 798 216 98 THR CB C 68.308 0.3 1 799 216 98 THR CG2 C 22.366 0.3 1 800 216 98 THR N N 118.119 0.3 1 801 217 99 GLN HA H 3.675 0.020 1 802 217 99 GLN HB2 H 2.391 0.020 2 803 217 99 GLN HB3 H 2.123 0.020 2 804 217 99 GLN HE21 H 7.233 0.020 1 805 217 99 GLN HE22 H 6.759 0.020 1 806 217 99 GLN HG2 H 1.799 0.020 2 807 217 99 GLN HG3 H 1.648 0.020 2 808 217 99 GLN CA C 58.560 0.3 1 809 217 99 GLN CB C 28.362 0.3 1 810 217 99 GLN CG C 32.449 0.3 1 811 217 99 GLN N N 122.551 0.3 1 812 217 99 GLN NE2 N 114.463 0.3 1 813 218 100 TYR HA H 2.941 0.020 1 814 218 100 TYR HB2 H 2.765 0.020 2 815 218 100 TYR HB3 H 3.073 0.020 2 816 218 100 TYR CA C 62.039 0.3 1 817 218 100 TYR CB C 37.056 0.3 1 818 218 100 TYR CD1 C 133.992 0.3 1 819 218 100 TYR CE1 C 119.099 0.3 1 820 218 100 TYR N N 119.923 0.3 1 821 219 101 GLN HA H 3.736 0.020 1 822 219 101 GLN HB2 H 2.346 0.020 2 823 219 101 GLN HB3 H 2.093 0.020 2 824 219 101 GLN HE21 H 7.457 0.020 1 825 219 101 GLN HE22 H 6.832 0.020 1 826 219 101 GLN HG2 H 2.736 0.020 2 827 219 101 GLN HG3 H 2.490 0.020 2 828 219 101 GLN CA C 59.034 0.3 1 829 219 101 GLN CB C 27.551 0.3 1 830 219 101 GLN CG C 33.736 0.3 1 831 219 101 GLN N N 119.703 0.3 1 832 219 101 GLN NE2 N 110.888 0.3 1 833 220 102 LYS HA H 4.019 0.020 1 834 220 102 LYS HB2 H 1.901 0.020 2 835 220 102 LYS HB3 H 1.840 0.020 2 836 220 102 LYS HG2 H 1.558 0.020 2 837 220 102 LYS HG3 H 1.400 0.020 2 838 220 102 LYS CA C 59.232 0.3 1 839 220 102 LYS CB C 32.351 0.3 1 840 220 102 LYS CD C 29.424 0.3 1 841 220 102 LYS CE C 41.974 0.3 1 842 220 102 LYS CG C 24.877 0.3 1 843 220 102 LYS N N 119.124 0.3 1 844 221 103 GLU HA H 4.112 0.020 1 845 221 103 GLU HB2 H 1.637 0.020 2 846 221 103 GLU HB3 H 2.231 0.020 2 847 221 103 GLU HG2 H 2.198 0.020 2 848 221 103 GLU HG3 H 2.472 0.020 2 849 221 103 GLU CA C 57.451 0.3 1 850 221 103 GLU CB C 29.258 0.3 1 851 221 103 GLU CG C 35.347 0.3 1 852 221 103 GLU N N 117.554 0.3 1 853 222 104 SER HA H 4.017 0.020 1 854 222 104 SER HB2 H 3.607 0.020 2 855 222 104 SER HB3 H 3.385 0.020 2 856 222 104 SER CA C 60.922 0.3 1 857 222 104 SER CB C 62.633 0.3 1 858 222 104 SER N N 115.136 0.3 1 859 223 105 GLN HA H 4.173 0.020 1 860 223 105 GLN HE21 H 7.557 0.020 1 861 223 105 GLN HE22 H 6.832 0.020 1 862 223 105 GLN HG2 H 2.493 0.020 2 863 223 105 GLN HG3 H 2.406 0.020 2 864 223 105 GLN CA C 57.947 0.3 1 865 223 105 GLN CB C 28.393 0.3 1 866 223 105 GLN CG C 33.773 0.3 1 867 223 105 GLN N N 120.738 0.3 1 868 223 105 GLN NE2 N 111.858 0.3 1 869 224 106 ALA HA H 4.193 0.020 1 870 224 106 ALA CA C 53.901 0.3 1 871 224 106 ALA CB C 18.490 0.3 1 872 224 106 ALA N N 121.017 0.3 1 873 225 107 TYR HA H 4.322 0.020 1 874 225 107 TYR HB2 H 3.013 0.020 2 875 225 107 TYR HB3 H 2.850 0.020 2 876 225 107 TYR CA C 59.660 0.3 1 877 225 107 TYR CB C 38.669 0.3 1 878 225 107 TYR CD1 C 134.382 0.3 1 879 225 107 TYR CE1 C 119.402 0.3 1 880 225 107 TYR N N 118.829 0.3 1 881 226 108 TYR HA H 4.367 0.020 1 882 226 108 TYR HB2 H 3.166 0.020 2 883 226 108 TYR HB3 H 3.004 0.020 2 884 226 108 TYR CA C 59.267 0.3 1 885 226 108 TYR CB C 38.373 0.3 1 886 226 108 TYR CD1 C 134.696 0.3 1 887 226 108 TYR CE1 C 119.548 0.3 1 888 226 108 TYR N N 120.185 0.3 1 889 227 109 GLU HA H 4.253 0.020 1 890 227 109 GLU CA C 56.767 0.3 1 891 227 109 GLU CB C 28.664 0.3 1 892 227 109 GLU CG C 33.773 0.3 1 893 227 109 GLU N N 120.201 0.3 1 894 228 110 GLY CA C 45.603 0.3 1 895 228 110 GLY N N 108.759 0.3 1 896 229 111 ARG HA H 4.473 0.020 1 897 229 111 ARG HB2 H 1.762 0.020 2 898 229 111 ARG HB3 H 1.927 0.020 2 899 229 111 ARG HE H 7.175 0.020 1 900 229 111 ARG CA C 55.824 0.3 1 901 229 111 ARG CB C 31.076 0.3 1 902 229 111 ARG CD C 43.303 0.3 1 903 229 111 ARG CG C 27.098 0.3 1 904 229 111 ARG N N 119.924 0.3 1 905 229 111 ARG NE N 84.559 0.3 1 906 230 112 SER HA H 4.554 0.020 1 907 230 112 SER CA C 58.304 0.3 1 908 230 112 SER CB C 64.000 0.3 1 909 230 112 SER N N 117.530 0.3 1 910 231 113 SER HA H 4.336 0.020 1 911 231 113 SER CA C 59.765 0.3 1 912 231 113 SER CB C 64.667 0.3 1 913 231 113 SER N N 122.724 0.3 1 stop_ save_