data_16720 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Horse prion protein ; _BMRB_accession_number 16720 _BMRB_flat_file_name bmr16720.str _Entry_type original _Submission_date 2010-02-12 _Accession_date 2010-02-12 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Perez Daniel . . 2 Damberger Fred . . 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" 424 "13C chemical shifts" 366 "15N chemical shifts" 131 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-08-12 update BMRB 'Complete entry citation' 2010-05-18 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 16722 'mouse prion protein mutant D167S' 16723 'mouse prion protein double mutant D167S, N173K' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Horse prion protein NMR structure and comparisons with related variants of the mouse prion protein.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20460128 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Perez Daniel R. . 2 Damberger Fred F. . 3 Wuthrich Kurt . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 400 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 121 _Page_last 128 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'mouse prion protein mutant D167S' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'mouse prion protein mutant D167S' $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'mouse prion protein mutant D167S' _Molecular_mass 13203.797 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 113 _Mol_residue_sequence ; GSVVGGLGGYMLGSAMSRPL IHFGNDYEDRYYRENMYRYP NQVYYRPVSEYSNQKNFVHD CVNITVKQHTVTTTTKGENF TETDVKIMERVVEQMCITQY QKEYEAFQQRGAS ; 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 LEU 21 139 ILE 22 140 HIS 23 141 PHE 24 142 GLY 25 143 ASN 26 144 ASP 27 145 TYR 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 TYR 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 SER 50 168 GLU 51 169 TYR 52 170 SER 53 171 ASN 54 172 GLN 55 173 LYS 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 VAL 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 ILE 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 ILE 98 216 THR 99 217 GLN 100 218 TYR 101 219 GLN 102 220 LYS 103 221 GLU 104 222 TYR 105 223 GLU 106 224 ALA 107 225 PHE 108 226 GLN 109 227 GLN 110 228 ARG 111 229 GLY 112 230 ALA 113 231 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-16 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 PDB 2KU4 "Horse Prion Protein" 100.00 113 100.00 100.00 1.10e-77 DBJ BAD72795 "prion protein [Equus caballus]" 97.35 213 98.18 99.09 1.42e-74 GB AAD19983 "prion protein, partial [Equus przewalskii]" 100.00 227 99.12 100.00 1.94e-77 GB AAD19988 "prion protein, partial [Equus caballus]" 100.00 227 99.12 100.00 1.94e-77 GB AAD19989 "prion protein, partial [Equus caballus]" 100.00 227 99.12 100.00 1.94e-77 GB AAD20000 "prion protein [Equus burchellii boehmi]" 100.00 222 98.23 99.12 1.13e-76 GB AAN16505 "prion protein, partial [Equus caballus]" 100.00 247 98.23 99.12 2.72e-76 REF NP_001137270 "major prion protein precursor [Equus caballus]" 100.00 255 98.23 99.12 5.21e-76 REF XP_008518008 "PREDICTED: major prion protein [Equus przewalskii]" 100.00 255 98.23 99.12 4.33e-76 REF XP_008518010 "PREDICTED: major prion protein [Equus przewalskii]" 100.00 255 98.23 99.12 4.33e-76 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity Horse 9796 Eukaryota Metazoa Equus caballus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli 'Bl21 (DE3)' pRSET stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium acetate' 10 mM [U-2H] H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' $entity 1.3 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ATNOS-CANDID _Saveframe_category software _Name ATHNOS-CANDID _Version . loop_ _Vendor _Address _Electronic_address 'Herrmann and Wuthrich' . . stop_ loop_ _Task 'automatic peak picking and NOE assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 750 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details 'equipped with cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 . mM pH 4.5 0.1 pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0 internal indirect . . . 0.25145 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.10133 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D HNCA' '3D HNCACB' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'mouse prion protein mutant D167S' _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 43.181 0.3 1 2 120 2 SER HA H 4.702 0.020 1 3 120 2 SER CA C 57.939 0.3 1 4 120 2 SER CB C 63.976 0.3 1 5 120 2 SER N N 115.804 0.3 1 6 121 3 VAL HA H 3.960 0.020 1 7 121 3 VAL HB H 1.888 0.020 1 8 121 3 VAL CA C 62.318 0.3 1 9 121 3 VAL CB C 32.433 0.3 1 10 121 3 VAL CG1 C 20.587 0.3 1 11 121 3 VAL CG2 C 20.996 0.3 1 12 121 3 VAL N N 122.385 0.3 1 13 122 4 VAL HA H 4.041 0.020 1 14 122 4 VAL HB H 1.911 0.020 1 15 122 4 VAL CA C 62.193 0.3 1 16 122 4 VAL CB C 32.511 0.3 1 17 122 4 VAL CG1 C 20.395 0.3 1 18 122 4 VAL CG2 C 21.020 0.3 1 19 122 4 VAL N N 125.068 0.3 1 20 123 5 GLY CA C 45.024 0.3 1 21 123 5 GLY N N 113.482 0.3 1 22 124 6 GLY CA C 44.973 0.3 1 23 124 6 GLY N N 108.702 0.3 1 24 125 7 LEU HA H 4.225 0.020 1 25 125 7 LEU HB2 H 1.404 0.020 2 26 125 7 LEU HB3 H 1.482 0.020 2 27 125 7 LEU HG H 1.360 0.020 1 28 125 7 LEU CA C 54.660 0.3 1 29 125 7 LEU CB C 42.372 0.3 1 30 125 7 LEU CD1 C 24.565 0.3 1 31 125 7 LEU CD2 C 23.376 0.3 1 32 125 7 LEU CG C 26.800 0.3 1 33 125 7 LEU N N 121.820 0.3 1 34 126 8 GLY HA2 H 3.772 0.020 1 35 126 8 GLY CA C 46.170 0.3 1 36 126 8 GLY N N 109.852 0.3 1 37 127 9 GLY HA2 H 3.801 0.020 1 38 127 9 GLY CA C 45.031 0.3 1 39 127 9 GLY N N 109.221 0.3 1 40 128 10 TYR HA H 4.277 0.020 1 41 128 10 TYR HB2 H 2.694 0.020 2 42 128 10 TYR HB3 H 2.789 0.020 2 43 128 10 TYR CA C 57.998 0.3 1 44 128 10 TYR CB C 39.809 0.3 1 45 128 10 TYR CD1 C 132.996 0.3 1 46 128 10 TYR CE1 C 118.228 0.3 1 47 128 10 TYR N N 117.810 0.3 1 48 129 11 MET HA H 4.370 0.020 1 49 129 11 MET HB2 H 0.903 0.020 2 50 129 11 MET HB3 H 1.435 0.020 2 51 129 11 MET HG2 H 2.086 0.020 2 52 129 11 MET HG3 H 2.055 0.020 2 53 129 11 MET CA C 53.642 0.3 1 54 129 11 MET CB C 34.405 0.3 1 55 129 11 MET CE C 16.949 0.3 1 56 129 11 MET CG C 31.626 0.3 1 57 129 11 MET N N 121.451 0.3 1 58 130 12 LEU HA H 4.298 0.020 1 59 130 12 LEU HB2 H 0.826 0.020 2 60 130 12 LEU HB3 H 1.475 0.020 2 61 130 12 LEU HG H 1.243 0.020 1 62 130 12 LEU CA C 53.193 0.3 1 63 130 12 LEU CB C 43.235 0.3 1 64 130 12 LEU CD1 C 21.462 0.3 1 65 130 12 LEU CD2 C 25.698 0.3 1 66 130 12 LEU CG C 25.828 0.3 1 67 130 12 LEU N N 121.559 0.3 1 68 131 13 GLY HA2 H 3.978 0.020 1 69 131 13 GLY CA C 45.011 0.3 1 70 131 13 GLY N N 115.281 0.3 1 71 132 14 SER HA H 4.272 0.020 1 72 132 14 SER HB2 H 3.846 0.020 2 73 132 14 SER HB3 H 3.777 0.020 2 74 132 14 SER CA C 58.316 0.3 1 75 132 14 SER CB C 63.855 0.3 1 76 132 14 SER N N 113.425 0.3 1 77 133 15 ALA HA H 4.260 0.020 1 78 133 15 ALA CA C 52.695 0.3 1 79 133 15 ALA CB C 18.265 0.3 1 80 133 15 ALA N N 125.616 0.3 1 81 134 16 MET HA H 4.620 0.020 1 82 134 16 MET HB2 H 1.922 0.020 2 83 134 16 MET HB3 H 1.871 0.020 2 84 134 16 MET HG2 H 2.381 0.020 2 85 134 16 MET HG3 H 2.286 0.020 2 86 134 16 MET CA C 53.523 0.3 1 87 134 16 MET CB C 36.869 0.3 1 88 134 16 MET CE C 17.661 0.3 1 89 134 16 MET CG C 30.933 0.3 1 90 134 16 MET N N 121.529 0.3 1 91 135 17 SER HA H 4.189 0.020 1 92 135 17 SER HB2 H 3.706 0.020 2 93 135 17 SER HB3 H 3.610 0.020 2 94 135 17 SER CA C 58.661 0.3 1 95 135 17 SER CB C 62.979 0.3 1 96 135 17 SER N N 116.154 0.3 1 97 136 18 ARG HA H 4.231 0.020 1 98 136 18 ARG HB2 H 1.736 0.020 2 99 136 18 ARG HB3 H 1.661 0.020 2 100 136 18 ARG HD2 H 2.877 0.020 2 101 136 18 ARG HD3 H 3.000 0.020 2 102 136 18 ARG HE H 6.838 0.020 1 103 136 18 ARG HG2 H 1.504 0.020 2 104 136 18 ARG HG3 H 1.488 0.020 2 105 136 18 ARG CA C 54.822 0.3 1 106 136 18 ARG CB C 28.687 0.3 1 107 136 18 ARG CD C 43.874 0.3 1 108 136 18 ARG CG C 28.569 0.3 1 109 136 18 ARG N N 126.321 0.3 1 110 136 18 ARG NE N 85.812 0.3 1 111 137 19 PRO HA H 4.251 0.020 1 112 137 19 PRO HB2 H 1.618 0.020 2 113 137 19 PRO HB3 H 2.091 0.020 2 114 137 19 PRO HD2 H 3.738 0.020 2 115 137 19 PRO HD3 H 3.530 0.020 2 116 137 19 PRO CA C 62.196 0.3 1 117 137 19 PRO CB C 32.035 0.3 1 118 137 19 PRO CD C 50.309 0.3 1 119 137 19 PRO CG C 27.288 0.3 1 120 138 20 LEU HA H 4.424 0.020 1 121 138 20 LEU HB2 H 1.372 0.020 2 122 138 20 LEU HB3 H 1.515 0.020 2 123 138 20 LEU HG H 1.459 0.020 1 124 138 20 LEU CA C 54.214 0.3 1 125 138 20 LEU CB C 40.021 0.3 1 126 138 20 LEU CD1 C 24.635 0.3 1 127 138 20 LEU CD2 C 23.527 0.3 1 128 138 20 LEU CG C 26.830 0.3 1 129 138 20 LEU N N 125.182 0.3 1 130 139 21 ILE HA H 3.750 0.020 1 131 139 21 ILE HB H 0.911 0.020 1 132 139 21 ILE HG12 H 0.540 0.020 2 133 139 21 ILE HG13 H 0.743 0.020 2 134 139 21 ILE CA C 59.390 0.3 1 135 139 21 ILE CB C 39.707 0.3 1 136 139 21 ILE CD1 C 12.970 0.3 1 137 139 21 ILE CG1 C 26.548 0.3 1 138 139 21 ILE CG2 C 16.567 0.3 1 139 139 21 ILE N N 122.671 0.3 1 140 140 22 HIS HA H 4.815 0.020 1 141 140 22 HIS HB2 H 2.846 0.020 2 142 140 22 HIS HB3 H 3.165 0.020 2 143 140 22 HIS HD2 H 7.134 0.020 1 144 140 22 HIS CA C 53.823 0.3 1 145 140 22 HIS CB C 28.892 0.3 1 146 140 22 HIS N N 122.308 0.3 1 147 141 23 PHE HA H 4.047 0.020 1 148 141 23 PHE HB2 H 3.120 0.020 2 149 141 23 PHE HB3 H 2.699 0.020 2 150 141 23 PHE HZ H 6.382 0.020 1 151 141 23 PHE CA C 59.883 0.3 1 152 141 23 PHE CB C 40.033 0.3 1 153 141 23 PHE CD1 C 132.077 0.3 1 154 141 23 PHE CE1 C 130.758 0.3 1 155 141 23 PHE CZ C 128.812 0.3 1 156 141 23 PHE N N 125.477 0.3 1 157 142 24 GLY HA2 H 3.985 0.020 1 158 142 24 GLY CA C 45.553 0.3 1 159 142 24 GLY N N 108.973 0.3 1 160 143 25 ASN HA H 4.715 0.020 1 161 143 25 ASN HB2 H 2.639 0.020 2 162 143 25 ASN HB3 H 2.667 0.020 2 163 143 25 ASN HD21 H 7.489 0.020 1 164 143 25 ASN HD22 H 7.221 0.020 1 165 143 25 ASN CA C 52.449 0.3 1 166 143 25 ASN CB C 41.511 0.3 1 167 143 25 ASN N N 114.867 0.3 1 168 143 25 ASN ND2 N 115.659 0.3 1 169 144 26 ASP HA H 4.287 0.020 1 170 144 26 ASP CA C 57.635 0.3 1 171 144 26 ASP CB C 40.829 0.3 1 172 144 26 ASP N N 124.253 0.3 1 173 145 27 TYR HA H 4.066 0.020 1 174 145 27 TYR HB2 H 3.087 0.020 2 175 145 27 TYR HB3 H 2.912 0.020 2 176 145 27 TYR CA C 61.552 0.3 1 177 145 27 TYR CB C 37.471 0.3 1 178 145 27 TYR CD1 C 133.233 0.3 1 179 145 27 TYR CE1 C 117.786 0.3 1 180 145 27 TYR N N 120.267 0.3 1 181 146 28 GLU HA H 3.383 0.020 1 182 146 28 GLU HB2 H 1.732 0.020 2 183 146 28 GLU HB3 H 1.212 0.020 2 184 146 28 GLU HG2 H 1.661 0.020 2 185 146 28 GLU HG3 H 2.289 0.020 2 186 146 28 GLU CA C 59.482 0.3 1 187 146 28 GLU CB C 28.938 0.3 1 188 146 28 GLU CG C 36.292 0.3 1 189 146 28 GLU N N 119.535 0.3 1 190 147 29 ASP HA H 4.572 0.020 1 191 147 29 ASP HB2 H 2.804 0.020 2 192 147 29 ASP HB3 H 2.696 0.020 2 193 147 29 ASP CA C 58.529 0.3 1 194 147 29 ASP CB C 40.666 0.3 1 195 147 29 ASP N N 118.244 0.3 1 196 148 30 ARG HA H 3.866 0.020 1 197 148 30 ARG HE H 7.293 0.020 1 198 148 30 ARG HG2 H 1.589 0.020 2 199 148 30 ARG HG3 H 1.377 0.020 2 200 148 30 ARG CA C 59.332 0.3 1 201 148 30 ARG CB C 29.723 0.3 1 202 148 30 ARG CD C 43.441 0.3 1 203 148 30 ARG CG C 27.484 0.3 1 204 148 30 ARG N N 120.216 0.3 1 205 148 30 ARG NE N 85.396 0.3 1 206 149 31 TYR HA H 3.713 0.020 1 207 149 31 TYR HB2 H 2.430 0.020 2 208 149 31 TYR HB3 H 2.579 0.020 2 209 149 31 TYR CA C 61.810 0.3 1 210 149 31 TYR CB C 38.346 0.3 1 211 149 31 TYR CD1 C 132.962 0.3 1 212 149 31 TYR N N 121.339 0.3 1 213 150 32 TYR HA H 4.107 0.020 1 214 150 32 TYR HB2 H 3.076 0.020 2 215 150 32 TYR HB3 H 3.049 0.020 2 216 150 32 TYR CA C 61.266 0.3 1 217 150 32 TYR CB C 38.415 0.3 1 218 150 32 TYR CD1 C 133.123 0.3 1 219 150 32 TYR CE1 C 118.037 0.3 1 220 150 32 TYR N N 119.316 0.3 1 221 151 33 ARG HA H 3.542 0.020 1 222 151 33 ARG HB2 H 1.806 0.020 2 223 151 33 ARG HB3 H 1.797 0.020 2 224 151 33 ARG HD2 H 3.113 0.020 2 225 151 33 ARG HD3 H 3.148 0.020 2 226 151 33 ARG HE H 7.320 0.020 1 227 151 33 ARG HG2 H 1.542 0.020 2 228 151 33 ARG HG3 H 1.763 0.020 2 229 151 33 ARG HH11 H 6.890 0.020 1 230 151 33 ARG HH21 H 6.447 0.020 1 231 151 33 ARG CA C 59.627 0.3 1 232 151 33 ARG CB C 29.399 0.3 1 233 151 33 ARG CD C 43.255 0.3 1 234 151 33 ARG CG C 27.895 0.3 1 235 151 33 ARG N N 116.418 0.3 1 236 151 33 ARG NE N 85.225 0.3 1 237 152 34 GLU HA H 3.978 0.020 1 238 152 34 GLU HB2 H 1.786 0.020 2 239 152 34 GLU HB3 H 1.754 0.020 2 240 152 34 GLU HG2 H 2.133 0.020 2 241 152 34 GLU HG3 H 2.318 0.020 2 242 152 34 GLU CA C 57.626 0.3 1 243 152 34 GLU CB C 29.564 0.3 1 244 152 34 GLU CG C 35.589 0.3 1 245 152 34 GLU N N 115.626 0.3 1 246 153 35 ASN HA H 4.543 0.020 1 247 153 35 ASN HB2 H 2.121 0.020 2 248 153 35 ASN HB3 H 2.252 0.020 2 249 153 35 ASN HD21 H 6.588 0.020 1 250 153 35 ASN HD22 H 6.447 0.020 1 251 153 35 ASN CA C 53.914 0.3 1 252 153 35 ASN CB C 40.378 0.3 1 253 153 35 ASN N N 115.522 0.3 1 254 153 35 ASN ND2 N 116.879 0.3 1 255 154 36 MET HA H 3.587 0.020 1 256 154 36 MET HB2 H 1.593 0.020 2 257 154 36 MET HB3 H 1.439 0.020 2 258 154 36 MET HG2 H 1.930 0.020 2 259 154 36 MET HG3 H 1.790 0.020 2 260 154 36 MET CA C 59.882 0.3 1 261 154 36 MET CB C 32.573 0.3 1 262 154 36 MET CE C 16.581 0.3 1 263 154 36 MET CG C 30.501 0.3 1 264 154 36 MET N N 119.185 0.3 1 265 155 37 TYR HA H 4.057 0.020 1 266 155 37 TYR HB2 H 2.931 0.020 2 267 155 37 TYR HB3 H 2.819 0.020 2 268 155 37 TYR CA C 58.942 0.3 1 269 155 37 TYR CB C 36.285 0.3 1 270 155 37 TYR CD1 C 133.061 0.3 1 271 155 37 TYR CE1 C 118.448 0.3 1 272 155 37 TYR N N 113.921 0.3 1 273 156 38 ARG HA H 3.874 0.020 1 274 156 38 ARG HB2 H 1.018 0.020 2 275 156 38 ARG HB3 H 1.543 0.020 2 276 156 38 ARG HD2 H 3.003 0.020 2 277 156 38 ARG HD3 H 2.924 0.020 2 278 156 38 ARG HE H 7.074 0.020 1 279 156 38 ARG HG2 H 1.125 0.020 2 280 156 38 ARG HG3 H 0.730 0.020 2 281 156 38 ARG HH22 H 6.798 0.020 1 282 156 38 ARG CA C 56.574 0.3 1 283 156 38 ARG CB C 30.357 0.3 1 284 156 38 ARG CD C 43.945 0.3 1 285 156 38 ARG CG C 27.543 0.3 1 286 156 38 ARG N N 118.825 0.3 1 287 156 38 ARG NE N 84.662 0.3 1 288 157 39 TYR HA H 4.776 0.020 1 289 157 39 TYR HB2 H 3.066 0.020 2 290 157 39 TYR HB3 H 2.851 0.020 2 291 157 39 TYR CA C 54.523 0.3 1 292 157 39 TYR CB C 36.228 0.3 1 293 157 39 TYR CD1 C 131.818 0.3 1 294 157 39 TYR CE1 C 118.780 0.3 1 295 157 39 TYR N N 119.214 0.3 1 296 158 40 PRO HA H 4.394 0.020 1 297 158 40 PRO HB2 H 1.723 0.020 2 298 158 40 PRO HB3 H 2.281 0.020 2 299 158 40 PRO HD2 H 3.229 0.020 2 300 158 40 PRO HD3 H 3.309 0.020 2 301 158 40 PRO HG2 H 1.361 0.020 2 302 158 40 PRO HG3 H 1.527 0.020 2 303 158 40 PRO CA C 63.174 0.3 1 304 158 40 PRO CB C 32.417 0.3 1 305 158 40 PRO CD C 49.894 0.3 1 306 158 40 PRO CG C 27.069 0.3 1 307 159 41 ASN HA H 4.657 0.020 1 308 159 41 ASN HB2 H 3.628 0.020 2 309 159 41 ASN HB3 H 2.248 0.020 2 310 159 41 ASN HD21 H 7.361 0.020 1 311 159 41 ASN HD22 H 6.654 0.020 1 312 159 41 ASN CA C 51.581 0.3 1 313 159 41 ASN CB C 37.867 0.3 1 314 159 41 ASN N N 115.285 0.3 1 315 159 41 ASN ND2 N 108.950 0.3 1 316 160 42 GLN HA H 4.460 0.020 1 317 160 42 GLN HB2 H 1.545 0.020 2 318 160 42 GLN HB3 H 1.835 0.020 2 319 160 42 GLN HE21 H 7.785 0.020 1 320 160 42 GLN HE22 H 6.850 0.020 1 321 160 42 GLN HG2 H 1.906 0.020 2 322 160 42 GLN HG3 H 2.005 0.020 2 323 160 42 GLN CA C 53.907 0.3 1 324 160 42 GLN CB C 33.937 0.3 1 325 160 42 GLN CG C 34.100 0.3 1 326 160 42 GLN N N 113.775 0.3 1 327 160 42 GLN NE2 N 112.809 0.3 1 328 161 43 VAL HA H 4.765 0.020 1 329 161 43 VAL HB H 2.466 0.020 1 330 161 43 VAL CA C 58.475 0.3 1 331 161 43 VAL CB C 33.922 0.3 1 332 161 43 VAL CG1 C 23.622 0.3 1 333 161 43 VAL CG2 C 18.053 0.3 1 334 161 43 VAL N N 112.760 0.3 1 335 162 44 TYR HA H 5.458 0.020 1 336 162 44 TYR HB2 H 2.501 0.020 2 337 162 44 TYR HB3 H 2.419 0.020 2 338 162 44 TYR CA C 56.726 0.3 1 339 162 44 TYR CB C 41.737 0.3 1 340 162 44 TYR CD1 C 132.969 0.3 1 341 162 44 TYR CE1 C 118.349 0.3 1 342 162 44 TYR N N 121.135 0.3 1 343 163 45 TYR HA H 4.694 0.020 1 344 163 45 TYR HB2 H 2.723 0.020 2 345 163 45 TYR HB3 H 2.568 0.020 2 346 163 45 TYR CA C 56.217 0.3 1 347 163 45 TYR CB C 39.885 0.3 1 348 163 45 TYR CD1 C 134.055 0.3 1 349 163 45 TYR CE1 C 117.841 0.3 1 350 163 45 TYR N N 111.114 0.3 1 351 164 46 ARG HA H 4.472 0.020 1 352 164 46 ARG HB2 H 1.722 0.020 2 353 164 46 ARG HB3 H 1.601 0.020 2 354 164 46 ARG HD2 H 2.668 0.020 2 355 164 46 ARG HD3 H 2.719 0.020 2 356 164 46 ARG HE H 6.841 0.020 1 357 164 46 ARG HG2 H 0.790 0.020 2 358 164 46 ARG HG3 H 0.905 0.020 2 359 164 46 ARG CA C 53.317 0.3 1 360 164 46 ARG CB C 29.634 0.3 1 361 164 46 ARG CD C 43.293 0.3 1 362 164 46 ARG CG C 27.539 0.3 1 363 164 46 ARG N N 120.786 0.3 1 364 164 46 ARG NE N 84.882 0.3 1 365 165 47 PRO HA H 4.454 0.020 1 366 165 47 PRO HB2 H 1.728 0.020 2 367 165 47 PRO HB3 H 2.340 0.020 2 368 165 47 PRO HD2 H 3.320 0.020 2 369 165 47 PRO HD3 H 3.506 0.020 2 370 165 47 PRO HG2 H 1.995 0.020 2 371 165 47 PRO HG3 H 1.867 0.020 2 372 165 47 PRO CA C 63.356 0.3 1 373 165 47 PRO CB C 32.280 0.3 1 374 165 47 PRO CD C 49.853 0.3 1 375 165 47 PRO CG C 28.091 0.3 1 376 166 48 VAL HA H 4.166 0.020 1 377 166 48 VAL HB H 1.916 0.020 1 378 166 48 VAL CA C 65.345 0.3 1 379 166 48 VAL CB C 32.025 0.3 1 380 166 48 VAL CG1 C 21.253 0.3 1 381 166 48 VAL CG2 C 21.914 0.3 1 382 166 48 VAL N N 120.662 0.3 1 383 167 49 SER HA H 3.968 0.020 1 384 167 49 SER HB2 H 3.854 0.020 2 385 167 49 SER HB3 H 3.438 0.020 2 386 167 49 SER CA C 58.943 0.3 1 387 167 49 SER CB C 62.663 0.3 1 388 167 49 SER N N 113.585 0.3 1 389 168 50 GLU HA H 3.995 0.020 1 390 168 50 GLU HG2 H 2.053 0.020 2 391 168 50 GLU HG3 H 2.026 0.020 2 392 168 50 GLU CA C 56.426 0.3 1 393 168 50 GLU CB C 27.931 0.3 1 394 168 50 GLU CG C 35.445 0.3 1 395 168 50 GLU N N 119.945 0.3 1 396 169 51 TYR HA H 4.768 0.020 1 397 169 51 TYR HB2 H 2.913 0.020 2 398 169 51 TYR HB3 H 3.201 0.020 2 399 169 51 TYR CA C 57.089 0.3 1 400 169 51 TYR CB C 41.949 0.3 1 401 169 51 TYR CD1 C 134.008 0.3 1 402 169 51 TYR CE1 C 118.744 0.3 1 403 169 51 TYR N N 116.847 0.3 1 404 170 52 SER HA H 4.445 0.020 1 405 170 52 SER HB2 H 3.821 0.020 2 406 170 52 SER HB3 H 3.909 0.020 2 407 170 52 SER CA C 58.565 0.3 1 408 170 52 SER CB C 63.922 0.3 1 409 170 52 SER N N 115.161 0.3 1 410 171 53 ASN HA H 4.577 0.020 1 411 171 53 ASN HB2 H 2.998 0.020 2 412 171 53 ASN HB3 H 2.806 0.020 2 413 171 53 ASN HD21 H 7.330 0.020 1 414 171 53 ASN HD22 H 6.424 0.020 1 415 171 53 ASN CA C 52.189 0.3 1 416 171 53 ASN CB C 40.026 0.3 1 417 171 53 ASN N N 114.891 0.3 1 418 171 53 ASN ND2 N 112.926 0.3 1 419 172 54 GLN HA H 2.711 0.020 1 420 172 54 GLN HB2 H 1.381 0.020 2 421 172 54 GLN HB3 H 1.345 0.020 2 422 172 54 GLN HE21 H 6.777 0.020 1 423 172 54 GLN HE22 H 6.746 0.020 1 424 172 54 GLN HG2 H 1.529 0.020 2 425 172 54 GLN HG3 H 0.956 0.020 2 426 172 54 GLN CA C 58.575 0.3 1 427 172 54 GLN CB C 29.231 0.3 1 428 172 54 GLN CG C 33.340 0.3 1 429 172 54 GLN N N 119.900 0.3 1 430 172 54 GLN NE2 N 111.171 0.3 1 431 173 55 LYS HA H 3.654 0.020 1 432 173 55 LYS HB2 H 1.640 0.020 2 433 173 55 LYS HB3 H 1.531 0.020 2 434 173 55 LYS HG2 H 1.274 0.020 2 435 173 55 LYS HG3 H 1.148 0.020 2 436 173 55 LYS CA C 59.698 0.3 1 437 173 55 LYS CB C 31.609 0.3 1 438 173 55 LYS CD C 29.023 0.3 1 439 173 55 LYS CE C 41.813 0.3 1 440 173 55 LYS CG C 24.631 0.3 1 441 173 55 LYS N N 119.298 0.3 1 442 174 56 ASN HA H 4.434 0.020 1 443 174 56 ASN HB2 H 2.793 0.020 2 444 174 56 ASN HB3 H 3.079 0.020 2 445 174 56 ASN HD21 H 7.550 0.020 1 446 174 56 ASN HD22 H 6.981 0.020 1 447 174 56 ASN CA C 55.728 0.3 1 448 174 56 ASN CB C 37.938 0.3 1 449 174 56 ASN N N 117.969 0.3 1 450 174 56 ASN ND2 N 111.489 0.3 1 451 175 57 PHE HA H 2.653 0.020 1 452 175 57 PHE HB2 H 2.364 0.020 2 453 175 57 PHE HB3 H 2.977 0.020 2 454 175 57 PHE HZ H 7.066 0.020 1 455 175 57 PHE CA C 60.692 0.3 1 456 175 57 PHE CB C 38.472 0.3 1 457 175 57 PHE CD1 C 129.288 0.3 1 458 175 57 PHE CE1 C 132.215 0.3 1 459 175 57 PHE CZ C 133.209 0.3 1 460 175 57 PHE N N 122.125 0.3 1 461 176 58 VAL HA H 3.283 0.020 1 462 176 58 VAL HB H 2.027 0.020 1 463 176 58 VAL CA C 67.294 0.3 1 464 176 58 VAL CB C 31.721 0.3 1 465 176 58 VAL CG1 C 21.788 0.3 1 466 176 58 VAL CG2 C 24.546 0.3 1 467 176 58 VAL N N 120.437 0.3 1 468 177 59 HIS HA H 4.151 0.020 1 469 177 59 HIS HB2 H 3.285 0.020 2 470 177 59 HIS HB3 H 3.230 0.020 2 471 177 59 HIS HD2 H 7.307 0.020 1 472 177 59 HIS HE1 H 8.039 0.020 1 473 177 59 HIS CA C 59.096 0.3 1 474 177 59 HIS CB C 28.272 0.3 1 475 177 59 HIS CD2 C 120.356 0.3 1 476 177 59 HIS CE1 C 139.183 0.3 1 477 177 59 HIS N N 117.231 0.3 1 478 178 60 ASP HA H 4.392 0.020 1 479 178 60 ASP HB2 H 2.902 0.020 2 480 178 60 ASP HB3 H 2.786 0.020 2 481 178 60 ASP CA C 56.948 0.3 1 482 178 60 ASP CB C 40.550 0.3 1 483 178 60 ASP N N 118.780 0.3 1 484 179 61 CYS HA H 4.554 0.020 1 485 179 61 CYS HB2 H 2.700 0.020 2 486 179 61 CYS HB3 H 3.065 0.020 2 487 179 61 CYS CA C 58.445 0.3 1 488 179 61 CYS CB C 40.641 0.3 1 489 179 61 CYS N N 119.889 0.3 1 490 180 62 VAL HA H 3.527 0.020 1 491 180 62 VAL HB H 1.998 0.020 1 492 180 62 VAL CA C 65.917 0.3 1 493 180 62 VAL CB C 31.603 0.3 1 494 180 62 VAL CG1 C 21.174 0.3 1 495 180 62 VAL CG2 C 23.453 0.3 1 496 180 62 VAL N N 124.522 0.3 1 497 181 63 ASN HA H 4.148 0.020 1 498 181 63 ASN HB2 H 2.654 0.020 2 499 181 63 ASN HB3 H 2.622 0.020 2 500 181 63 ASN HD21 H 7.489 0.020 1 501 181 63 ASN HD22 H 6.588 0.020 1 502 181 63 ASN CA C 56.487 0.3 1 503 181 63 ASN CB C 38.580 0.3 1 504 181 63 ASN N N 116.666 0.3 1 505 181 63 ASN ND2 N 111.723 0.3 1 506 182 64 ILE HA H 3.595 0.020 1 507 182 64 ILE HB H 1.400 0.020 1 508 182 64 ILE HG12 H 0.613 0.020 2 509 182 64 ILE HG13 H 0.708 0.020 2 510 182 64 ILE CA C 62.071 0.3 1 511 182 64 ILE CB C 36.423 0.3 1 512 182 64 ILE CD1 C 11.027 0.3 1 513 182 64 ILE CG1 C 27.282 0.3 1 514 182 64 ILE CG2 C 18.238 0.3 1 515 182 64 ILE N N 118.120 0.3 1 516 183 65 THR HA H 3.915 0.020 1 517 183 65 THR HB H 4.374 0.020 1 518 183 65 THR HG1 H 6.222 0.020 1 519 183 65 THR CA C 68.393 0.3 1 520 183 65 THR CB C 68.016 0.3 1 521 183 65 THR CG2 C 22.218 0.3 1 522 183 65 THR N N 118.411 0.3 1 523 184 66 VAL HA H 3.517 0.020 1 524 184 66 VAL HB H 2.154 0.020 1 525 184 66 VAL CA C 67.415 0.3 1 526 184 66 VAL CB C 31.131 0.3 1 527 184 66 VAL CG1 C 20.991 0.3 1 528 184 66 VAL CG2 C 23.258 0.3 1 529 184 66 VAL N N 120.880 0.3 1 530 185 67 LYS HA H 3.923 0.020 1 531 185 67 LYS HB2 H 1.811 0.020 2 532 185 67 LYS HB3 H 1.722 0.020 2 533 185 67 LYS HG2 H 1.352 0.020 2 534 185 67 LYS HG3 H 1.248 0.020 2 535 185 67 LYS CA C 59.691 0.3 1 536 185 67 LYS CB C 32.016 0.3 1 537 185 67 LYS CD C 28.856 0.3 1 538 185 67 LYS CE C 41.933 0.3 1 539 185 67 LYS CG C 24.995 0.3 1 540 185 67 LYS N N 121.628 0.3 1 541 186 68 GLN HA H 3.881 0.020 1 542 186 68 GLN HB2 H 1.468 0.020 2 543 186 68 GLN HB3 H 2.006 0.020 2 544 186 68 GLN HE21 H 6.636 0.020 1 545 186 68 GLN HE22 H 6.565 0.020 1 546 186 68 GLN HG2 H 1.431 0.020 2 547 186 68 GLN HG3 H 1.988 0.020 2 548 186 68 GLN CA C 57.335 0.3 1 549 186 68 GLN CB C 29.099 0.3 1 550 186 68 GLN CG C 33.259 0.3 1 551 186 68 GLN N N 116.424 0.3 1 552 186 68 GLN NE2 N 110.303 0.3 1 553 187 69 HIS HA H 4.463 0.020 1 554 187 69 HIS HB2 H 3.248 0.020 2 555 187 69 HIS HB3 H 3.156 0.020 2 556 187 69 HIS HD2 H 7.211 0.020 1 557 187 69 HIS HE1 H 8.091 0.020 1 558 187 69 HIS CA C 58.121 0.3 1 559 187 69 HIS CB C 29.507 0.3 1 560 187 69 HIS CD2 C 119.254 0.3 1 561 187 69 HIS CE1 C 137.814 0.3 1 562 187 69 HIS N N 117.164 0.3 1 563 188 70 THR HA H 4.073 0.020 1 564 188 70 THR HB H 4.229 0.020 1 565 188 70 THR CA C 64.329 0.3 1 566 188 70 THR CB C 69.108 0.3 1 567 188 70 THR CG2 C 21.489 0.3 1 568 188 70 THR N N 113.865 0.3 1 569 189 71 VAL HA H 3.895 0.020 1 570 189 71 VAL HB H 2.047 0.020 1 571 189 71 VAL CA C 64.293 0.3 1 572 189 71 VAL CB C 31.951 0.3 1 573 189 71 VAL CG1 C 21.159 0.3 1 574 189 71 VAL CG2 C 20.967 0.3 1 575 189 71 VAL N N 122.046 0.3 1 576 190 72 THR HA H 4.120 0.020 1 577 190 72 THR HB H 4.121 0.020 1 578 190 72 THR CA C 63.541 0.3 1 579 190 72 THR CB C 69.173 0.3 1 580 190 72 THR CG2 C 21.572 0.3 1 581 190 72 THR N N 116.532 0.3 1 582 191 73 THR HA H 4.104 0.020 1 583 191 73 THR HB H 4.033 0.020 1 584 191 73 THR CA C 63.372 0.3 1 585 191 73 THR CB C 68.953 0.3 1 586 191 73 THR CG2 C 21.387 0.3 1 587 191 73 THR N N 115.218 0.3 1 588 192 74 THR HA H 4.247 0.020 1 589 192 74 THR HB H 4.221 0.020 1 590 192 74 THR CA C 63.451 0.3 1 591 192 74 THR CB C 69.141 0.3 1 592 192 74 THR CG2 C 21.420 0.3 1 593 192 74 THR N N 116.007 0.3 1 594 193 75 THR HA H 4.103 0.020 1 595 193 75 THR HB H 4.129 0.020 1 596 193 75 THR CA C 63.476 0.3 1 597 193 75 THR CB C 69.103 0.3 1 598 193 75 THR CG2 C 21.518 0.3 1 599 193 75 THR N N 115.928 0.3 1 600 194 76 LYS HA H 4.178 0.020 1 601 194 76 LYS HB2 H 1.666 0.020 2 602 194 76 LYS HB3 H 1.788 0.020 2 603 194 76 LYS HG2 H 1.297 0.020 2 604 194 76 LYS HG3 H 1.361 0.020 2 605 194 76 LYS CA C 56.525 0.3 1 606 194 76 LYS CB C 32.382 0.3 1 607 194 76 LYS CD C 28.851 0.3 1 608 194 76 LYS CE C 41.951 0.3 1 609 194 76 LYS CG C 24.748 0.3 1 610 194 76 LYS N N 121.563 0.3 1 611 195 77 GLY HA2 H 3.727 0.020 1 612 195 77 GLY CA C 45.434 0.3 1 613 195 77 GLY N N 109.345 0.3 1 614 196 78 GLU HA H 4.152 0.020 1 615 196 78 GLU HB2 H 1.657 0.020 2 616 196 78 GLU HB3 H 1.700 0.020 2 617 196 78 GLU CA C 55.517 0.3 1 618 196 78 GLU CB C 30.156 0.3 1 619 196 78 GLU CG C 35.087 0.3 1 620 196 78 GLU N N 120.008 0.3 1 621 197 79 ASN HA H 4.537 0.020 1 622 197 79 ASN HB2 H 2.521 0.020 2 623 197 79 ASN HB3 H 2.597 0.020 2 624 197 79 ASN HD21 H 7.412 0.020 1 625 197 79 ASN HD22 H 6.728 0.020 1 626 197 79 ASN CA C 52.845 0.3 1 627 197 79 ASN CB C 39.424 0.3 1 628 197 79 ASN N N 120.171 0.3 1 629 197 79 ASN ND2 N 113.029 0.3 1 630 198 80 PHE HA H 4.981 0.020 1 631 198 80 PHE HB2 H 2.859 0.020 2 632 198 80 PHE HB3 H 3.081 0.020 2 633 198 80 PHE CA C 56.888 0.3 1 634 198 80 PHE CB C 39.951 0.3 1 635 198 80 PHE CD1 C 131.542 0.3 1 636 198 80 PHE CE1 C 133.231 0.3 1 637 198 80 PHE N N 122.984 0.3 1 638 199 81 THR HA H 4.463 0.020 1 639 199 81 THR HB H 4.656 0.020 1 640 199 81 THR HG1 H 4.581 0.020 1 641 199 81 THR CA C 60.649 0.3 1 642 199 81 THR CB C 66.166 0.3 1 643 199 81 THR CG2 C 21.509 0.3 1 644 199 81 THR N N 116.747 0.3 1 645 200 82 GLU HA H 3.949 0.020 1 646 200 82 GLU HB2 H 1.989 0.020 2 647 200 82 GLU HB3 H 1.921 0.020 2 648 200 82 GLU HG2 H 2.288 0.020 2 649 200 82 GLU HG3 H 2.227 0.020 2 650 200 82 GLU CA C 59.463 0.3 1 651 200 82 GLU CB C 28.599 0.3 1 652 200 82 GLU CG C 35.286 0.3 1 653 200 82 GLU N N 119.976 0.3 1 654 201 83 THR HA H 3.631 0.020 1 655 201 83 THR HB H 3.552 0.020 1 656 201 83 THR CA C 66.437 0.3 1 657 201 83 THR CB C 68.375 0.3 1 658 201 83 THR CG2 C 20.975 0.3 1 659 201 83 THR N N 116.367 0.3 1 660 202 84 ASP HA H 4.323 0.020 1 661 202 84 ASP HB2 H 2.930 0.020 2 662 202 84 ASP HB3 H 2.159 0.020 2 663 202 84 ASP CA C 57.839 0.3 1 664 202 84 ASP CB C 40.882 0.3 1 665 202 84 ASP N N 119.952 0.3 1 666 203 85 VAL HA H 3.294 0.020 1 667 203 85 VAL HB H 2.005 0.020 1 668 203 85 VAL CA C 67.220 0.3 1 669 203 85 VAL CB C 31.568 0.3 1 670 203 85 VAL CG1 C 21.009 0.3 1 671 203 85 VAL CG2 C 22.789 0.3 1 672 203 85 VAL N N 119.334 0.3 1 673 204 86 LYS HA H 3.903 0.020 1 674 204 86 LYS HB2 H 1.804 0.020 2 675 204 86 LYS HB3 H 1.711 0.020 2 676 204 86 LYS HG2 H 1.453 0.020 2 677 204 86 LYS HG3 H 1.281 0.020 2 678 204 86 LYS CA C 59.089 0.3 1 679 204 86 LYS CB C 32.112 0.3 1 680 204 86 LYS CD C 28.995 0.3 1 681 204 86 LYS CE C 41.876 0.3 1 682 204 86 LYS CG C 25.017 0.3 1 683 204 86 LYS N N 119.433 0.3 1 684 205 87 ILE HA H 3.438 0.020 1 685 205 87 ILE HB H 1.698 0.020 1 686 205 87 ILE CA C 64.856 0.3 1 687 205 87 ILE CB C 37.536 0.3 1 688 205 87 ILE CD1 C 13.634 0.3 1 689 205 87 ILE CG1 C 28.396 0.3 1 690 205 87 ILE CG2 C 17.988 0.3 1 691 205 87 ILE N N 120.207 0.3 1 692 206 88 MET HA H 3.396 0.020 1 693 206 88 MET HB2 H 2.026 0.020 2 694 206 88 MET HB3 H 1.950 0.020 2 695 206 88 MET HG2 H 2.071 0.020 2 696 206 88 MET HG3 H 2.126 0.020 2 697 206 88 MET CA C 59.641 0.3 1 698 206 88 MET CB C 32.761 0.3 1 699 206 88 MET CE C 16.688 0.3 1 700 206 88 MET CG C 32.068 0.3 1 701 206 88 MET N N 119.203 0.3 1 702 207 89 GLU HA H 3.510 0.020 1 703 207 89 GLU HB2 H 2.073 0.020 2 704 207 89 GLU HB3 H 1.917 0.020 2 705 207 89 GLU HG2 H 2.443 0.020 2 706 207 89 GLU HG3 H 2.140 0.020 2 707 207 89 GLU CA C 60.391 0.3 1 708 207 89 GLU CB C 28.225 0.3 1 709 207 89 GLU CG C 35.015 0.3 1 710 207 89 GLU N N 117.147 0.3 1 711 208 90 ARG HA H 4.016 0.020 1 712 208 90 ARG HB2 H 1.905 0.020 2 713 208 90 ARG HB3 H 1.769 0.020 2 714 208 90 ARG HD2 H 2.988 0.020 2 715 208 90 ARG HD3 H 3.082 0.020 2 716 208 90 ARG HE H 7.110 0.020 1 717 208 90 ARG HG2 H 1.600 0.020 2 718 208 90 ARG HG3 H 1.542 0.020 2 719 208 90 ARG HH11 H 6.584 0.020 1 720 208 90 ARG HH12 H 6.635 0.020 1 721 208 90 ARG HH21 H 6.397 0.020 1 722 208 90 ARG HH22 H 6.477 0.020 1 723 208 90 ARG CA C 58.211 0.3 1 724 208 90 ARG CB C 29.778 0.3 1 725 208 90 ARG CD C 42.456 0.3 1 726 208 90 ARG CG C 26.795 0.3 1 727 208 90 ARG N N 117.979 0.3 1 728 208 90 ARG NE N 83.780 0.3 1 729 209 91 VAL HA H 3.324 0.020 1 730 209 91 VAL HB H 1.967 0.020 1 731 209 91 VAL CA C 66.083 0.3 1 732 209 91 VAL CB C 32.319 0.3 1 733 209 91 VAL CG1 C 21.061 0.3 1 734 209 91 VAL CG2 C 23.623 0.3 1 735 209 91 VAL N N 120.538 0.3 1 736 210 92 VAL HA H 3.471 0.020 1 737 210 92 VAL HB H 2.064 0.020 1 738 210 92 VAL CA C 66.106 0.3 1 739 210 92 VAL CB C 30.961 0.3 1 740 210 92 VAL CG1 C 24.570 0.3 1 741 210 92 VAL CG2 C 24.145 0.3 1 742 210 92 VAL N N 119.127 0.3 1 743 211 93 GLU HA H 3.435 0.020 1 744 211 93 GLU HB2 H 2.064 0.020 2 745 211 93 GLU HB3 H 2.008 0.020 2 746 211 93 GLU CA C 60.807 0.3 1 747 211 93 GLU CB C 28.796 0.3 1 748 211 93 GLU CG C 35.598 0.3 1 749 211 93 GLU N N 121.023 0.3 1 750 212 94 GLN HA H 3.836 0.020 1 751 212 94 GLN HB2 H 1.968 0.020 2 752 212 94 GLN HB3 H 2.001 0.020 2 753 212 94 GLN HE21 H 7.365 0.020 1 754 212 94 GLN HE22 H 6.769 0.020 1 755 212 94 GLN HG2 H 2.277 0.020 2 756 212 94 GLN HG3 H 2.213 0.020 2 757 212 94 GLN CA C 58.508 0.3 1 758 212 94 GLN CB C 27.581 0.3 1 759 212 94 GLN CG C 33.462 0.3 1 760 212 94 GLN N N 115.161 0.3 1 761 212 94 GLN NE2 N 113.752 0.3 1 762 213 95 MET HA H 4.011 0.020 1 763 213 95 MET HB2 H 2.072 0.020 2 764 213 95 MET HB3 H 1.949 0.020 2 765 213 95 MET HG2 H 2.654 0.020 2 766 213 95 MET HG3 H 2.345 0.020 2 767 213 95 MET CA C 59.828 0.3 1 768 213 95 MET CB C 34.344 0.3 1 769 213 95 MET CE C 16.610 0.3 1 770 213 95 MET CG C 32.256 0.3 1 771 213 95 MET N N 119.306 0.3 1 772 214 96 CYS HA H 4.252 0.020 1 773 214 96 CYS HB2 H 3.414 0.020 2 774 214 96 CYS HB3 H 2.711 0.020 2 775 214 96 CYS CA C 59.821 0.3 1 776 214 96 CYS CB C 41.738 0.3 1 777 214 96 CYS N N 119.179 0.3 1 778 215 97 ILE HA H 3.346 0.020 1 779 215 97 ILE HB H 1.856 0.020 1 780 215 97 ILE CA C 66.418 0.3 1 781 215 97 ILE CB C 38.093 0.3 1 782 215 97 ILE CD1 C 13.876 0.3 1 783 215 97 ILE CG1 C 30.577 0.3 1 784 215 97 ILE CG2 C 16.786 0.3 1 785 215 97 ILE N N 123.784 0.3 1 786 216 98 THR HA H 3.767 0.020 1 787 216 98 THR HB H 4.164 0.020 1 788 216 98 THR CA C 66.766 0.3 1 789 216 98 THR CB C 68.149 0.3 1 790 216 98 THR CG2 C 22.170 0.3 1 791 216 98 THR N N 118.457 0.3 1 792 217 99 GLN HA H 3.502 0.020 1 793 217 99 GLN HB2 H 2.195 0.020 2 794 217 99 GLN HB3 H 1.923 0.020 2 795 217 99 GLN HE21 H 7.067 0.020 1 796 217 99 GLN HE22 H 6.601 0.020 1 797 217 99 GLN HG2 H 1.549 0.020 2 798 217 99 GLN HG3 H 1.466 0.020 2 799 217 99 GLN CA C 58.508 0.3 1 800 217 99 GLN CB C 28.186 0.3 1 801 217 99 GLN CG C 32.261 0.3 1 802 217 99 GLN N N 122.518 0.3 1 803 217 99 GLN NE2 N 114.575 0.3 1 804 218 100 TYR HA H 2.732 0.020 1 805 218 100 TYR HB2 H 2.871 0.020 2 806 218 100 TYR HB3 H 2.553 0.020 2 807 218 100 TYR CA C 61.954 0.3 1 808 218 100 TYR CB C 36.628 0.3 1 809 218 100 TYR CD1 C 132.830 0.3 1 810 218 100 TYR CE1 C 117.179 0.3 1 811 218 100 TYR N N 119.801 0.3 1 812 219 101 GLN HA H 3.620 0.020 1 813 219 101 GLN HB2 H 2.157 0.020 2 814 219 101 GLN HB3 H 1.986 0.020 2 815 219 101 GLN HE21 H 7.354 0.020 1 816 219 101 GLN HE22 H 6.651 0.020 1 817 219 101 GLN HG2 H 2.347 0.020 2 818 219 101 GLN HG3 H 2.553 0.020 2 819 219 101 GLN CA C 58.832 0.3 1 820 219 101 GLN CB C 27.455 0.3 1 821 219 101 GLN CG C 33.540 0.3 1 822 219 101 GLN N N 117.015 0.3 1 823 219 101 GLN NE2 N 110.899 0.3 1 824 220 102 LYS HA H 3.903 0.020 1 825 220 102 LYS HB2 H 1.756 0.020 2 826 220 102 LYS HB3 H 1.706 0.020 2 827 220 102 LYS HD2 H 2.000 0.020 2 828 220 102 LYS HD3 H 1.919 0.020 2 829 220 102 LYS HG2 H 1.290 0.020 2 830 220 102 LYS HG3 H 1.430 0.020 2 831 220 102 LYS CA C 59.116 0.3 1 832 220 102 LYS CB C 32.144 0.3 1 833 220 102 LYS CD C 28.378 0.3 1 834 220 102 LYS CE C 41.830 0.3 1 835 220 102 LYS CG C 24.714 0.3 1 836 220 102 LYS N N 118.704 0.3 1 837 221 103 GLU HA H 3.897 0.020 1 838 221 103 GLU HB2 H 1.564 0.020 2 839 221 103 GLU HB3 H 2.010 0.020 2 840 221 103 GLU HG2 H 2.315 0.020 2 841 221 103 GLU HG3 H 2.004 0.020 2 842 221 103 GLU CA C 57.695 0.3 1 843 221 103 GLU CB C 29.177 0.3 1 844 221 103 GLU CG C 35.873 0.3 1 845 221 103 GLU N N 118.835 0.3 1 846 222 104 TYR HA H 3.727 0.020 1 847 222 104 TYR HB2 H 2.469 0.020 2 848 222 104 TYR HB3 H 2.022 0.020 2 849 222 104 TYR CA C 61.714 0.3 1 850 222 104 TYR CB C 38.085 0.3 1 851 222 104 TYR CD1 C 132.906 0.3 1 852 222 104 TYR CE1 C 118.052 0.3 1 853 222 104 TYR N N 122.385 0.3 1 854 223 105 GLU HA H 3.864 0.020 1 855 223 105 GLU HB2 H 1.998 0.020 2 856 223 105 GLU HB3 H 1.919 0.020 2 857 223 105 GLU HG2 H 2.385 0.020 2 858 223 105 GLU HG3 H 2.263 0.020 2 859 223 105 GLU CA C 58.611 0.3 1 860 223 105 GLU CB C 34.712 0.3 1 861 223 105 GLU CG C 34.694 0.3 1 862 223 105 GLU N N 118.441 0.3 1 863 224 106 ALA HA H 3.995 0.020 1 864 224 106 ALA CA C 54.213 0.3 1 865 224 106 ALA CB C 18.063 0.3 1 866 224 106 ALA N N 120.538 0.3 1 867 225 107 PHE HA H 4.189 0.020 1 868 225 107 PHE HB2 H 2.964 0.020 2 869 225 107 PHE HB3 H 2.898 0.020 2 870 225 107 PHE CA C 59.490 0.3 1 871 225 107 PHE CB C 39.140 0.3 1 872 225 107 PHE CD1 C 133.038 0.3 1 873 225 107 PHE CE1 C 131.667 0.3 1 874 225 107 PHE N N 119.433 0.3 1 875 226 108 GLN HA H 3.727 0.020 1 876 226 108 GLN HB2 H 1.838 0.020 2 877 226 108 GLN HB3 H 1.785 0.020 2 878 226 108 GLN HE21 H 6.774 0.020 1 879 226 108 GLN HE22 H 6.691 0.020 1 880 226 108 GLN HG2 H 2.015 0.020 2 881 226 108 GLN HG3 H 1.935 0.020 2 882 226 108 GLN CA C 56.909 0.3 1 883 226 108 GLN CB C 28.722 0.3 1 884 226 108 GLN CG C 33.587 0.3 1 885 226 108 GLN N N 118.540 0.3 1 886 226 108 GLN NE2 N 112.253 0.3 1 887 227 109 GLN HA H 4.036 0.020 1 888 227 109 GLN HB2 H 1.882 0.020 2 889 227 109 GLN HB3 H 2.000 0.020 2 890 227 109 GLN HE21 H 7.329 0.020 1 891 227 109 GLN HE22 H 6.660 0.020 1 892 227 109 GLN HG2 H 2.296 0.020 2 893 227 109 GLN HG3 H 2.234 0.020 2 894 227 109 GLN CA C 56.288 0.3 1 895 227 109 GLN CB C 28.513 0.3 1 896 227 109 GLN CG C 33.608 0.3 1 897 227 109 GLN N N 118.137 0.3 1 898 227 109 GLN NE2 N 112.028 0.3 1 899 228 110 ARG HA H 4.116 0.020 1 900 228 110 ARG HB2 H 1.693 0.020 2 901 228 110 ARG HB3 H 1.653 0.020 2 902 228 110 ARG HE H 7.050 0.020 1 903 228 110 ARG HG2 H 1.504 0.020 2 904 228 110 ARG HG3 H 1.472 0.020 2 905 228 110 ARG HH21 H 6.504 0.020 1 906 228 110 ARG CA C 56.586 0.3 1 907 228 110 ARG CB C 30.369 0.3 1 908 228 110 ARG CD C 43.274 0.3 1 909 228 110 ARG CG C 26.780 0.3 1 910 228 110 ARG N N 120.098 0.3 1 911 228 110 ARG NE N 84.882 0.3 1 912 229 111 GLY CA C 45.129 0.3 1 913 229 111 GLY N N 109.214 0.3 1 914 230 112 ALA HA H 4.189 0.020 1 915 230 112 ALA CA C 52.136 0.3 1 916 230 112 ALA CB C 19.329 0.3 1 917 230 112 ALA N N 124.044 0.3 1 918 231 113 SER HA H 4.149 0.020 1 919 231 113 SER CA C 59.725 0.3 1 920 231 113 SER CB C 64.689 0.3 1 921 231 113 SER N N 120.425 0.3 1 stop_ save_