data_17087 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Mouse prion protein (121-231) with the mutations Y169A, Y225A, and Y226A. ; _BMRB_accession_number 17087 _BMRB_flat_file_name bmr17087.str _Entry_type original _Submission_date 2010-07-28 _Accession_date 2010-07-28 _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 Damberger Fred F. . 3 Perez Daniel R. . 4 Hornemann Simone . . 5 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" 678 "13C chemical shifts" 363 "15N chemical shifts" 135 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-08-02 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 17081 'Prion Protein with Mutation Y169G' 17082 'Prion Protein with Mutation F175A' 17084 'Prion Protein' stop_ _Original_release_date 2012-08-02 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Temperature-dependent conformational exchange in the cellular form of prion proteins' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Christen Barbara . . 2 Damberger Fred F. . 3 Perez Daniel R. . 4 Hornemann Simone . . 5 Wuthrich Kurt . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Prion with Y169A, Y225A, Y226A mutation' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label prion $prion 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 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Prion with Y169A, Y225A, Y226A mutation' _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 114 _Mol_residue_sequence ; GSVVGGLGGYMLGSAMSRPM IHFGNDWEDRYYRENMYRYP NQVYYRPVDQASNQNNFVHD CVNITIKQHTVTTTTKGENF TETDVKMMERVVEQMCVTQY QKESQAAADGRRSS ; 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 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 ASP 50 168 GLN 51 169 ALA 52 170 SER 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 ALA 108 226 ALA 109 227 ASP 110 228 GLY 111 229 ARG 112 230 ARG 113 231 SER 114 232 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-06-12 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 16075 mPrP90_M129V 87.72 141 97.00 97.00 7.59e-65 BMRB 16184 mpp_121-231 100.00 114 99.12 99.12 1.26e-78 BMRB 17081 "Prion with Y169G mutation" 100.00 114 97.37 97.37 8.14e-77 BMRB 17084 prion 100.00 114 97.37 97.37 1.67e-76 BMRB 17174 Mouse_prion 100.00 114 97.37 97.37 1.67e-76 BMRB 17213 entity 100.00 114 98.25 98.25 1.62e-77 BMRB 17758 mPrP(121-232) 100.00 114 97.37 97.37 1.67e-76 PDB 1AG2 "Prion Protein Domain Prp(121-231) From Mouse, Nmr, 2 Minimized Average Structure" 88.60 103 99.01 99.01 8.62e-69 PDB 1XYX "Mouse Prion Protein Fragment 121-231" 98.25 112 97.32 97.32 5.51e-75 PDB 2KFM "Mouse Prion Protein (121-231) With Mutations Y225a And Y226a" 100.00 114 99.12 99.12 1.26e-78 PDB 2L1D "Mouse Prion Protein (121-231) Containing The Substitution Y169g" 100.00 114 97.37 97.37 8.14e-77 PDB 2L1H "Mouse Prion Protein Fragment 121-231 At 20 C" 100.00 114 97.37 97.37 1.67e-76 PDB 2L1K "Mouse Prion Protein (121-231) Containing The Substitutions Y169a, Y225a, And Y226a" 100.00 114 100.00 100.00 8.29e-80 PDB 2L39 "Mouse Prion Protein Fragment 121-231 At 37 C" 100.00 114 97.37 97.37 1.67e-76 PDB 2L40 "Mouse Prion Protein (121-231) Containing The Substitution Y169a" 100.00 114 98.25 98.25 1.62e-77 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 Mouse 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $prion 'recombinant technology' . Escherichia coli . pRSETA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $prion 1.4 mM '[U-99% 13C; U-99% 15N]' 'sodium acetate' 10 mM [U-2H] 'sodium azide' 0.02 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . www.nmr.ch stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_ATNOS-CANDID _Saveframe_category software _Name ATHNOS-CANDID _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Herrmann, Guntert and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_DYANA _Saveframe_category software _Name DYANA _Version 1.0.3 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_OPALP _Saveframe_category software _Name OPALP _Version . loop_ _Vendor _Address _Electronic_address 'Luginbuhl, Guntert, Billeter and Wuthrich' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 750 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0 external indirect cylindrical 'insert at center of experimental sample tube' parallel 0.251449530 $citations $citations DSS H 1 'methyl protons' ppm 0 external direct cylindrical 'insert at center of experimental sample tube' parallel 1.0000 $citations $citations DSS N 15 'methyl protons' ppm 0 external indirect cylindrical 'insert at center of experimental sample tube' parallel 0.101329118 $citations $citations 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 'aliphatic and aromatic 13C signals were assigned using the 13C-resolved NOESYs with the 13C carrier centered at the aliphatic and aromatic region respectively.' loop_ _Experiment_label '3D 1H-15N NOESY' '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 prion _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 HA2 H 3.905 0.020 1 2 119 1 GLY HA3 H 3.905 0.020 1 3 119 1 GLY CA C 43.242 0.3 1 4 120 2 SER H H 8.687 0.020 1 5 120 2 SER HA H 4.597 0.020 1 6 120 2 SER HB2 H 3.836 0.020 1 7 120 2 SER HB3 H 3.836 0.020 1 8 120 2 SER CA C 57.937 0.3 1 9 120 2 SER CB C 64.040 0.3 1 10 120 2 SER N N 115.735 0.3 1 11 121 3 VAL H H 8.422 0.020 1 12 121 3 VAL HA H 4.183 0.020 1 13 121 3 VAL HB H 2.050 0.020 1 14 121 3 VAL HG1 H 0.913 0.020 2 15 121 3 VAL HG2 H 0.883 0.020 2 16 121 3 VAL CA C 62.284 0.3 1 17 121 3 VAL CB C 32.690 0.3 1 18 121 3 VAL CG1 C 20.475 0.3 1 19 121 3 VAL CG2 C 21.087 0.3 1 20 121 3 VAL N N 122.308 0.3 1 21 122 4 VAL H H 8.364 0.020 1 22 122 4 VAL HA H 4.091 0.020 1 23 122 4 VAL HB H 2.024 0.020 1 24 122 4 VAL HG1 H 0.930 0.020 2 25 122 4 VAL HG2 H 0.914 0.020 2 26 122 4 VAL CA C 62.442 0.3 1 27 122 4 VAL CB C 32.552 0.3 1 28 122 4 VAL CG1 C 20.757 0.3 1 29 122 4 VAL CG2 C 21.087 0.3 1 30 122 4 VAL N N 125.182 0.3 1 31 123 5 GLY H H 8.626 0.020 1 32 123 5 GLY HA2 H 3.950 0.020 1 33 123 5 GLY HA3 H 3.950 0.020 1 34 123 5 GLY CA C 45.271 0.3 1 35 123 5 GLY N N 113.618 0.3 1 36 124 6 GLY H H 8.343 0.020 1 37 124 6 GLY HA2 H 3.956 0.020 1 38 124 6 GLY HA3 H 3.956 0.020 1 39 124 6 GLY CA C 45.289 0.3 1 40 124 6 GLY N N 108.735 0.3 1 41 125 7 LEU H H 8.277 0.020 1 42 125 7 LEU HA H 4.376 0.020 1 43 125 7 LEU HB2 H 1.512 0.020 2 44 125 7 LEU HB3 H 1.613 0.020 2 45 125 7 LEU HD1 H 0.662 0.020 2 46 125 7 LEU HD2 H 0.532 0.020 2 47 125 7 LEU HG H 1.476 0.020 1 48 125 7 LEU CA C 54.668 0.3 1 49 125 7 LEU CB C 42.414 0.3 1 50 125 7 LEU CD1 C 24.592 0.3 1 51 125 7 LEU CD2 C 23.403 0.3 1 52 125 7 LEU CG C 26.804 0.3 1 53 125 7 LEU N N 121.829 0.3 1 54 126 8 GLY H H 8.576 0.020 1 55 126 8 GLY HA2 H 3.908 0.020 1 56 126 8 GLY CA C 46.338 0.3 1 57 126 8 GLY N N 110.086 0.3 1 58 127 9 GLY H H 8.443 0.020 1 59 127 9 GLY HA2 H 3.904 0.020 1 60 127 9 GLY CA C 45.031 0.3 1 61 127 9 GLY N N 109.571 0.3 1 62 128 10 TYR H H 7.733 0.020 1 63 128 10 TYR HA H 4.525 0.020 1 64 128 10 TYR HB2 H 2.876 0.020 2 65 128 10 TYR HB3 H 2.780 0.020 2 66 128 10 TYR HD1 H 6.776 0.020 1 67 128 10 TYR HD2 H 6.776 0.020 1 68 128 10 TYR HE1 H 6.659 0.020 1 69 128 10 TYR HE2 H 6.659 0.020 1 70 128 10 TYR CA C 57.902 0.3 1 71 128 10 TYR CB C 40.197 0.3 1 72 128 10 TYR CD1 C 132.680 0.3 1 73 128 10 TYR CE1 C 118.346 0.3 1 74 128 10 TYR N N 117.550 0.3 1 75 129 11 MET H H 9.033 0.020 1 76 129 11 MET HA H 4.556 0.020 1 77 129 11 MET HB2 H 0.929 0.020 2 78 129 11 MET HB3 H 1.576 0.020 2 79 129 11 MET HE H 2.012 0.020 1 80 129 11 MET HG2 H 2.214 0.020 1 81 129 11 MET HG3 H 2.214 0.020 1 82 129 11 MET CA C 53.437 0.3 1 83 129 11 MET CB C 34.660 0.3 1 84 129 11 MET CE C 17.122 0.3 1 85 129 11 MET CG C 32.029 0.3 1 86 129 11 MET N N 120.708 0.3 1 87 130 12 LEU H H 8.141 0.020 1 88 130 12 LEU HA H 4.460 0.020 1 89 130 12 LEU HB2 H 0.956 0.020 2 90 130 12 LEU HB3 H 1.609 0.020 2 91 130 12 LEU HD1 H -0.052 0.020 2 92 130 12 LEU HD2 H 0.616 0.020 2 93 130 12 LEU HG H 1.377 0.020 1 94 130 12 LEU CA C 53.301 0.3 1 95 130 12 LEU CB C 43.353 0.3 1 96 130 12 LEU CD1 C 21.404 0.3 1 97 130 12 LEU CD2 C 25.731 0.3 1 98 130 12 LEU CG C 25.897 0.3 1 99 130 12 LEU N N 121.411 0.3 1 100 131 13 GLY H H 9.385 0.020 1 101 131 13 GLY HA2 H 4.417 0.020 1 102 131 13 GLY CA C 44.815 0.3 1 103 131 13 GLY N N 115.214 0.3 1 104 132 14 SER H H 8.343 0.020 1 105 132 14 SER HA H 4.396 0.020 1 106 132 14 SER HB2 H 3.898 0.020 2 107 132 14 SER HB3 H 3.973 0.020 2 108 132 14 SER CA C 58.419 0.3 1 109 132 14 SER CB C 63.920 0.3 1 110 132 14 SER N N 113.684 0.3 1 111 133 15 ALA H H 8.780 0.020 1 112 133 15 ALA HA H 4.414 0.020 1 113 133 15 ALA HB H 1.260 0.020 1 114 133 15 ALA CA C 52.860 0.3 1 115 133 15 ALA CB C 18.304 0.3 1 116 133 15 ALA N N 125.538 0.3 1 117 134 16 MET H H 8.842 0.020 1 118 134 16 MET HA H 4.739 0.020 1 119 134 16 MET HB2 H 2.043 0.020 2 120 134 16 MET HB3 H 1.981 0.020 2 121 134 16 MET HE H 2.193 0.020 1 122 134 16 MET HG2 H 2.529 0.020 2 123 134 16 MET HG3 H 2.443 0.020 2 124 134 16 MET CA C 53.832 0.3 1 125 134 16 MET CB C 36.736 0.3 1 126 134 16 MET CE C 17.836 0.3 1 127 134 16 MET CG C 31.426 0.3 1 128 134 16 MET N N 121.555 0.3 1 129 135 17 SER H H 8.464 0.020 1 130 135 17 SER HA H 4.328 0.020 1 131 135 17 SER HB2 H 3.830 0.020 2 132 135 17 SER HB3 H 3.743 0.020 2 133 135 17 SER CA C 58.639 0.3 1 134 135 17 SER CB C 62.994 0.3 1 135 135 17 SER N N 116.067 0.3 1 136 136 18 ARG H H 8.708 0.020 1 137 136 18 ARG HA H 4.374 0.020 1 138 136 18 ARG HB2 H 1.844 0.020 2 139 136 18 ARG HB3 H 1.790 0.020 2 140 136 18 ARG HD2 H 3.060 0.020 2 141 136 18 ARG HD3 H 2.943 0.020 2 142 136 18 ARG HE H 6.886 0.020 1 143 136 18 ARG HG2 H 1.607 0.020 1 144 136 18 ARG HG3 H 1.607 0.020 1 145 136 18 ARG CA C 54.781 0.3 1 146 136 18 ARG CB C 28.718 0.3 1 147 136 18 ARG CD C 43.793 0.3 1 148 136 18 ARG CG C 29.385 0.3 1 149 136 18 ARG N N 126.515 0.3 1 150 136 18 ARG NE N 85.661 0.3 1 151 137 19 PRO HA H 4.416 0.020 1 152 137 19 PRO HB2 H 1.768 0.020 2 153 137 19 PRO HB3 H 2.233 0.020 2 154 137 19 PRO HD2 H 3.653 0.020 2 155 137 19 PRO HD3 H 3.914 0.020 2 156 137 19 PRO HG2 H 2.033 0.020 2 157 137 19 PRO HG3 H 2.013 0.020 2 158 137 19 PRO CA C 62.201 0.3 1 159 137 19 PRO CB C 32.213 0.3 1 160 137 19 PRO CD C 50.537 0.3 1 161 137 19 PRO CG C 27.212 0.3 1 162 138 20 MET H H 8.780 0.020 1 163 138 20 MET HA H 4.876 0.020 1 164 138 20 MET HB2 H 2.020 0.020 2 165 138 20 MET HB3 H 1.988 0.020 2 166 138 20 MET HE H 2.124 0.020 1 167 138 20 MET HG2 H 2.682 0.020 2 168 138 20 MET HG3 H 2.320 0.020 2 169 138 20 MET CA C 53.873 0.3 1 170 138 20 MET CB C 30.140 0.3 1 171 138 20 MET CE C 16.373 0.3 1 172 138 20 MET CG C 31.795 0.3 1 173 138 20 MET N N 122.141 0.3 1 174 139 21 ILE H H 6.575 0.020 1 175 139 21 ILE HA H 3.817 0.020 1 176 139 21 ILE HB H 0.772 0.020 1 177 139 21 ILE HD1 H 0.429 0.020 1 178 139 21 ILE HG12 H 0.887 0.020 2 179 139 21 ILE HG13 H 0.722 0.020 2 180 139 21 ILE HG2 H -0.127 0.020 1 181 139 21 ILE CA C 59.398 0.3 1 182 139 21 ILE CB C 38.864 0.3 1 183 139 21 ILE CD1 C 12.399 0.3 1 184 139 21 ILE CG1 C 26.596 0.3 1 185 139 21 ILE CG2 C 17.090 0.3 1 186 139 21 ILE N N 124.744 0.3 1 187 140 22 HIS H H 8.244 0.020 1 188 140 22 HIS HA H 4.903 0.020 1 189 140 22 HIS HB2 H 3.289 0.020 2 190 140 22 HIS HB3 H 2.939 0.020 2 191 140 22 HIS HD2 H 7.207 0.020 1 192 140 22 HIS HE1 H 8.568 0.020 1 193 140 22 HIS CA C 53.922 0.3 1 194 140 22 HIS CB C 29.434 0.3 1 195 140 22 HIS CD2 C 119.837 0.3 1 196 140 22 HIS CE1 C 136.469 0.3 1 197 140 22 HIS N N 121.931 0.3 1 198 141 23 PHE H H 10.470 0.020 1 199 141 23 PHE HA H 4.256 0.020 1 200 141 23 PHE HB2 H 2.780 0.020 2 201 141 23 PHE HB3 H 3.290 0.020 2 202 141 23 PHE HD1 H 7.284 0.020 1 203 141 23 PHE HD2 H 7.284 0.020 1 204 141 23 PHE HE1 H 6.883 0.020 1 205 141 23 PHE HE2 H 6.883 0.020 1 206 141 23 PHE HZ H 6.735 0.020 1 207 141 23 PHE CA C 59.570 0.3 1 208 141 23 PHE CB C 40.803 0.3 1 209 141 23 PHE CD1 C 132.005 0.3 1 210 141 23 PHE CE1 C 131.075 0.3 1 211 141 23 PHE CZ C 129.048 0.3 1 212 141 23 PHE N N 124.660 0.3 1 213 142 24 GLY H H 9.051 0.020 1 214 142 24 GLY HA2 H 4.119 0.020 1 215 142 24 GLY CA C 45.623 0.3 1 216 142 24 GLY N N 109.146 0.3 1 217 143 25 ASN H H 7.219 0.020 1 218 143 25 ASN HA H 4.876 0.020 1 219 143 25 ASN HB2 H 2.710 0.020 2 220 143 25 ASN HB3 H 2.687 0.020 2 221 143 25 ASN HD21 H 7.603 0.020 1 222 143 25 ASN HD22 H 7.460 0.020 1 223 143 25 ASN CA C 52.430 0.3 1 224 143 25 ASN CB C 41.457 0.3 1 225 143 25 ASN N N 114.426 0.3 1 226 143 25 ASN ND2 N 115.984 0.3 1 227 144 26 ASP H H 9.062 0.020 1 228 144 26 ASP HA H 4.433 0.020 1 229 144 26 ASP HB2 H 2.771 0.020 1 230 144 26 ASP HB3 H 2.771 0.020 1 231 144 26 ASP CA C 57.788 0.3 1 232 144 26 ASP CB C 40.946 0.3 1 233 144 26 ASP N N 123.439 0.3 1 234 145 27 TRP H H 8.561 0.020 1 235 145 27 TRP HA H 4.227 0.020 1 236 145 27 TRP HB2 H 3.405 0.020 1 237 145 27 TRP HB3 H 3.405 0.020 1 238 145 27 TRP HD1 H 7.325 0.020 1 239 145 27 TRP HE1 H 10.251 0.020 1 240 145 27 TRP HE3 H 7.336 0.020 1 241 145 27 TRP HH2 H 6.879 0.020 1 242 145 27 TRP HZ2 H 7.416 0.020 1 243 145 27 TRP HZ3 H 6.701 0.020 1 244 145 27 TRP CA C 61.771 0.3 1 245 145 27 TRP CB C 28.195 0.3 1 246 145 27 TRP CD1 C 127.575 0.3 1 247 145 27 TRP CE3 C 120.638 0.3 1 248 145 27 TRP CH2 C 124.882 0.3 1 249 145 27 TRP CZ2 C 114.666 0.3 1 250 145 27 TRP CZ3 C 121.183 0.3 1 251 145 27 TRP N N 120.601 0.3 1 252 145 27 TRP NE1 N 129.612 0.3 1 253 146 28 GLU H H 8.227 0.020 1 254 146 28 GLU HA H 3.449 0.020 1 255 146 28 GLU HB2 H 1.838 0.020 2 256 146 28 GLU HB3 H 1.255 0.020 2 257 146 28 GLU HG2 H 2.139 0.020 2 258 146 28 GLU HG3 H 1.589 0.020 2 259 146 28 GLU CA C 59.771 0.3 1 260 146 28 GLU CB C 29.419 0.3 1 261 146 28 GLU CG C 37.058 0.3 1 262 146 28 GLU N N 120.379 0.3 1 263 147 29 ASP H H 7.989 0.020 1 264 147 29 ASP HA H 4.673 0.020 1 265 147 29 ASP HB2 H 2.830 0.020 2 266 147 29 ASP HB3 H 2.923 0.020 2 267 147 29 ASP CA C 58.435 0.3 1 268 147 29 ASP CB C 40.302 0.3 1 269 147 29 ASP N N 119.110 0.3 1 270 148 30 ARG H H 8.055 0.020 1 271 148 30 ARG HA H 3.965 0.020 1 272 148 30 ARG HB2 H 1.860 0.020 1 273 148 30 ARG HB3 H 1.860 0.020 1 274 148 30 ARG HD2 H 3.203 0.020 2 275 148 30 ARG HD3 H 3.180 0.020 2 276 148 30 ARG HE H 7.457 0.020 1 277 148 30 ARG HG2 H 1.710 0.020 2 278 148 30 ARG HG3 H 1.474 0.020 2 279 148 30 ARG CA C 59.568 0.3 1 280 148 30 ARG CB C 29.813 0.3 1 281 148 30 ARG CD C 43.487 0.3 1 282 148 30 ARG CG C 27.655 0.3 1 283 148 30 ARG N N 120.032 0.3 1 284 148 30 ARG NE N 85.197 0.3 1 285 149 31 TYR H H 8.274 0.020 1 286 149 31 TYR HA H 3.730 0.020 1 287 149 31 TYR HB2 H 2.666 0.020 2 288 149 31 TYR HB3 H 2.295 0.020 2 289 149 31 TYR HD1 H 6.857 0.020 1 290 149 31 TYR HD2 H 6.857 0.020 1 291 149 31 TYR HE1 H 6.868 0.020 1 292 149 31 TYR HE2 H 6.868 0.020 1 293 149 31 TYR CA C 62.086 0.3 1 294 149 31 TYR CB C 38.130 0.3 1 295 149 31 TYR CD1 C 133.572 0.3 1 296 149 31 TYR CE1 C 117.915 0.3 1 297 149 31 TYR N N 120.949 0.3 1 298 150 32 TYR H H 9.009 0.020 1 299 150 32 TYR HA H 4.076 0.020 1 300 150 32 TYR HB2 H 3.546 0.020 2 301 150 32 TYR HB3 H 3.202 0.020 2 302 150 32 TYR HD1 H 7.467 0.020 1 303 150 32 TYR HD2 H 7.467 0.020 1 304 150 32 TYR HE1 H 7.005 0.020 1 305 150 32 TYR HE2 H 7.005 0.020 1 306 150 32 TYR CA C 63.071 0.3 1 307 150 32 TYR CB C 38.308 0.3 1 308 150 32 TYR CD1 C 133.467 0.3 1 309 150 32 TYR CE1 C 118.341 0.3 1 310 150 32 TYR N N 120.407 0.3 1 311 151 33 ARG H H 7.907 0.020 1 312 151 33 ARG HA H 3.859 0.020 1 313 151 33 ARG HB2 H 1.952 0.020 2 314 151 33 ARG HB3 H 2.022 0.020 2 315 151 33 ARG HD2 H 3.351 0.020 2 316 151 33 ARG HD3 H 3.275 0.020 2 317 151 33 ARG HE H 7.489 0.020 1 318 151 33 ARG HG2 H 1.987 0.020 2 319 151 33 ARG HG3 H 1.743 0.020 2 320 151 33 ARG CA C 59.947 0.3 1 321 151 33 ARG CB C 29.767 0.3 1 322 151 33 ARG CD C 43.472 0.3 1 323 151 33 ARG CG C 28.339 0.3 1 324 151 33 ARG N N 117.273 0.3 1 325 151 33 ARG NE N 84.818 0.3 1 326 152 34 GLU H H 7.872 0.020 1 327 152 34 GLU HA H 4.093 0.020 1 328 152 34 GLU HB2 H 1.867 0.020 1 329 152 34 GLU HB3 H 1.867 0.020 1 330 152 34 GLU HG2 H 2.444 0.020 2 331 152 34 GLU HG3 H 2.244 0.020 2 332 152 34 GLU CA C 57.646 0.3 1 333 152 34 GLU CB C 29.699 0.3 1 334 152 34 GLU CG C 35.727 0.3 1 335 152 34 GLU N N 115.414 0.3 1 336 153 35 ASN H H 7.562 0.020 1 337 153 35 ASN HA H 4.499 0.020 1 338 153 35 ASN HB2 H 2.233 0.020 2 339 153 35 ASN HB3 H 2.129 0.020 2 340 153 35 ASN HD21 H 6.745 0.020 1 341 153 35 ASN HD22 H 6.537 0.020 1 342 153 35 ASN CA C 54.787 0.3 1 343 153 35 ASN CB C 41.110 0.3 1 344 153 35 ASN N N 115.318 0.3 1 345 153 35 ASN ND2 N 116.786 0.3 1 346 154 36 MET H H 7.849 0.020 1 347 154 36 MET HA H 3.471 0.020 1 348 154 36 MET HB2 H 1.573 0.020 2 349 154 36 MET HB3 H 1.247 0.020 2 350 154 36 MET HE H 1.918 0.020 1 351 154 36 MET HG2 H 2.274 0.020 2 352 154 36 MET HG3 H 1.780 0.020 2 353 154 36 MET CA C 59.115 0.3 1 354 154 36 MET CB C 30.537 0.3 1 355 154 36 MET CE C 17.240 0.3 1 356 154 36 MET CG C 30.071 0.3 1 357 154 36 MET N N 118.325 0.3 1 358 155 37 TYR H H 7.618 0.020 1 359 155 37 TYR HA H 4.131 0.020 1 360 155 37 TYR HB2 H 2.932 0.020 2 361 155 37 TYR HB3 H 2.995 0.020 2 362 155 37 TYR HD1 H 7.056 0.020 1 363 155 37 TYR HD2 H 7.056 0.020 1 364 155 37 TYR HE1 H 6.865 0.020 1 365 155 37 TYR HE2 H 6.865 0.020 1 366 155 37 TYR CA C 59.288 0.3 1 367 155 37 TYR CB C 36.119 0.3 1 368 155 37 TYR CD1 C 133.188 0.3 1 369 155 37 TYR CE1 C 118.509 0.3 1 370 155 37 TYR N N 116.238 0.3 1 371 156 38 ARG H H 7.531 0.020 1 372 156 38 ARG HA H 4.009 0.020 1 373 156 38 ARG HB2 H 1.306 0.020 2 374 156 38 ARG HB3 H 1.950 0.020 2 375 156 38 ARG HD2 H 3.188 0.020 2 376 156 38 ARG HD3 H 3.065 0.020 2 377 156 38 ARG HE H 7.280 0.020 1 378 156 38 ARG HG2 H 1.258 0.020 2 379 156 38 ARG HG3 H 0.612 0.020 2 380 156 38 ARG HH21 H 6.418 0.020 1 381 156 38 ARG CA C 56.322 0.3 1 382 156 38 ARG CB C 30.627 0.3 1 383 156 38 ARG CD C 44.326 0.3 1 384 156 38 ARG CG C 27.328 0.3 1 385 156 38 ARG N N 118.573 0.3 1 386 156 38 ARG NE N 84.632 0.3 1 387 157 39 TYR H H 7.341 0.020 1 388 157 39 TYR HA H 5.038 0.020 1 389 157 39 TYR HB2 H 3.127 0.020 2 390 157 39 TYR HB3 H 3.085 0.020 2 391 157 39 TYR HD1 H 6.906 0.020 1 392 157 39 TYR HD2 H 6.906 0.020 1 393 157 39 TYR HE1 H 6.501 0.020 1 394 157 39 TYR HE2 H 6.501 0.020 1 395 157 39 TYR CA C 52.845 0.3 1 396 157 39 TYR CB C 35.136 0.3 1 397 157 39 TYR CD1 C 131.318 0.3 1 398 157 39 TYR CE1 C 117.381 0.3 1 399 157 39 TYR N N 120.522 0.3 1 400 158 40 PRO HA H 4.467 0.020 1 401 158 40 PRO HB2 H 1.735 0.020 2 402 158 40 PRO HB3 H 2.447 0.020 2 403 158 40 PRO HD2 H 3.192 0.020 2 404 158 40 PRO HD3 H 3.430 0.020 2 405 158 40 PRO HG2 H 1.581 0.020 2 406 158 40 PRO HG3 H 1.386 0.020 2 407 158 40 PRO CA C 63.429 0.3 1 408 158 40 PRO CB C 32.359 0.3 1 409 158 40 PRO CD C 50.070 0.3 1 410 158 40 PRO CG C 27.256 0.3 1 411 159 41 ASN H H 8.447 0.020 1 412 159 41 ASN HA H 4.727 0.020 1 413 159 41 ASN HB2 H 3.738 0.020 2 414 159 41 ASN HB3 H 2.381 0.020 2 415 159 41 ASN HD21 H 7.524 0.020 1 416 159 41 ASN HD22 H 6.827 0.020 1 417 159 41 ASN CA C 51.643 0.3 1 418 159 41 ASN CB C 38.069 0.3 1 419 159 41 ASN N N 115.622 0.3 1 420 159 41 ASN ND2 N 109.113 0.3 1 421 160 42 GLN H H 7.247 0.020 1 422 160 42 GLN HA H 4.585 0.020 1 423 160 42 GLN HB2 H 1.954 0.020 2 424 160 42 GLN HB3 H 1.694 0.020 2 425 160 42 GLN HE21 H 7.947 0.020 1 426 160 42 GLN HE22 H 7.051 0.020 1 427 160 42 GLN HG2 H 2.153 0.020 2 428 160 42 GLN HG3 H 2.024 0.020 2 429 160 42 GLN CA C 54.070 0.3 1 430 160 42 GLN CB C 33.544 0.3 1 431 160 42 GLN CG C 34.079 0.3 1 432 160 42 GLN N N 113.690 0.3 1 433 160 42 GLN NE2 N 112.873 0.3 1 434 161 43 VAL H H 8.557 0.020 1 435 161 43 VAL HA H 4.895 0.020 1 436 161 43 VAL HB H 2.621 0.020 1 437 161 43 VAL HG1 H 0.971 0.020 2 438 161 43 VAL HG2 H 0.754 0.020 2 439 161 43 VAL CA C 58.597 0.3 1 440 161 43 VAL CB C 33.928 0.3 1 441 161 43 VAL CG1 C 23.667 0.3 1 442 161 43 VAL CG2 C 18.126 0.3 1 443 161 43 VAL N N 113.007 0.3 1 444 162 44 TYR H H 8.510 0.020 1 445 162 44 TYR HA H 5.519 0.020 1 446 162 44 TYR HB2 H 2.596 0.020 2 447 162 44 TYR HB3 H 2.576 0.020 2 448 162 44 TYR HD1 H 6.879 0.020 1 449 162 44 TYR HD2 H 6.879 0.020 1 450 162 44 TYR HE1 H 6.742 0.020 1 451 162 44 TYR HE2 H 6.742 0.020 1 452 162 44 TYR CA C 56.896 0.3 1 453 162 44 TYR CB C 30.676 0.3 1 454 162 44 TYR CD1 C 132.957 0.3 1 455 162 44 TYR CE1 C 118.424 0.3 1 456 162 44 TYR N N 121.437 0.3 1 457 163 45 TYR H H 8.649 0.020 1 458 163 45 TYR HA H 4.711 0.020 1 459 163 45 TYR HB2 H 2.653 0.020 2 460 163 45 TYR HB3 H 2.610 0.020 2 461 163 45 TYR HD1 H 6.957 0.020 1 462 163 45 TYR HD2 H 6.957 0.020 1 463 163 45 TYR HE1 H 6.459 0.020 1 464 163 45 TYR HE2 H 6.459 0.020 1 465 163 45 TYR CA C 55.684 0.3 1 466 163 45 TYR CB C 40.484 0.3 1 467 163 45 TYR CD1 C 133.890 0.3 1 468 163 45 TYR CE1 C 117.578 0.3 1 469 163 45 TYR N N 110.963 0.3 1 470 164 46 ARG H H 8.153 0.020 1 471 164 46 ARG HA H 4.642 0.020 1 472 164 46 ARG HB2 H 1.482 0.020 2 473 164 46 ARG HB3 H 1.595 0.020 2 474 164 46 ARG HD2 H 2.864 0.020 2 475 164 46 ARG HD3 H 2.941 0.020 2 476 164 46 ARG HE H 7.055 0.020 1 477 164 46 ARG HG2 H 1.213 0.020 2 478 164 46 ARG HG3 H 1.142 0.020 2 479 164 46 ARG CA C 52.811 0.3 1 480 164 46 ARG CB C 30.668 0.3 1 481 164 46 ARG CD C 43.476 0.3 1 482 164 46 ARG CG C 27.127 0.3 1 483 164 46 ARG N N 121.324 0.3 1 484 164 46 ARG NE N 85.052 0.3 1 485 165 47 PRO HA H 4.590 0.020 1 486 165 47 PRO HB2 H 1.927 0.020 2 487 165 47 PRO HB3 H 2.483 0.020 2 488 165 47 PRO HD2 H 3.654 0.020 2 489 165 47 PRO HD3 H 3.540 0.020 2 490 165 47 PRO HG2 H 2.093 0.020 2 491 165 47 PRO HG3 H 1.964 0.020 2 492 165 47 PRO CA C 63.246 0.3 1 493 165 47 PRO CB C 32.387 0.3 1 494 165 47 PRO CD C 50.533 0.3 1 495 165 47 PRO CG C 27.953 0.3 1 496 166 48 VAL H H 8.673 0.020 1 497 166 48 VAL HA H 4.218 0.020 1 498 166 48 VAL HB H 2.091 0.020 1 499 166 48 VAL HG1 H 0.942 0.020 2 500 166 48 VAL HG2 H 0.910 0.020 2 501 166 48 VAL CA C 63.400 0.3 1 502 166 48 VAL CB C 32.678 0.3 1 503 166 48 VAL CG1 C 21.708 0.3 1 504 166 48 VAL CG2 C 21.727 0.3 1 505 166 48 VAL N N 120.384 0.3 1 506 167 49 ASP H H 8.650 0.020 1 507 167 49 ASP HA H 4.690 0.020 1 508 167 49 ASP HB2 H 3.032 0.020 2 509 167 49 ASP HB3 H 2.756 0.020 2 510 167 49 ASP CA C 53.479 0.3 1 511 167 49 ASP CB C 41.062 0.3 1 512 167 49 ASP N N 122.598 0.3 1 513 168 50 GLN H H 8.406 0.020 1 514 168 50 GLN HA H 4.221 0.020 1 515 168 50 GLN HB2 H 2.227 0.020 2 516 168 50 GLN HB3 H 2.078 0.020 2 517 168 50 GLN HE21 H 7.663 0.020 1 518 168 50 GLN HE22 H 6.899 0.020 1 519 168 50 GLN HG2 H 2.424 0.020 1 520 168 50 GLN HG3 H 2.424 0.020 1 521 168 50 GLN CA C 57.432 0.3 1 522 168 50 GLN CB C 28.560 0.3 1 523 168 50 GLN CG C 28.579 0.3 1 524 168 50 GLN N N 117.863 0.3 1 525 168 50 GLN NE2 N 112.448 0.3 1 526 169 51 ALA H H 8.182 0.020 1 527 169 51 ALA HA H 4.573 0.020 1 528 169 51 ALA HB H 1.525 0.020 1 529 169 51 ALA CA C 51.761 0.3 1 530 169 51 ALA CB C 19.384 0.3 1 531 169 51 ALA N N 121.929 0.3 1 532 170 52 SER H H 8.187 0.020 1 533 170 52 SER HA H 4.582 0.020 1 534 170 52 SER HB2 H 4.084 0.020 1 535 170 52 SER HB3 H 4.084 0.020 1 536 170 52 SER CA C 59.649 0.3 1 537 170 52 SER CB C 63.863 0.3 1 538 170 52 SER N N 115.939 0.3 1 539 171 53 ASN H H 8.381 0.020 1 540 171 53 ASN HA H 4.790 0.020 1 541 171 53 ASN HB2 H 3.050 0.020 2 542 171 53 ASN HB3 H 2.972 0.020 2 543 171 53 ASN HD21 H 7.714 0.020 1 544 171 53 ASN HD22 H 6.778 0.020 1 545 171 53 ASN CA C 52.239 0.3 1 546 171 53 ASN CB C 40.067 0.3 1 547 171 53 ASN N N 117.894 0.3 1 548 171 53 ASN ND2 N 114.074 0.3 1 549 172 54 GLN H H 8.781 0.020 1 550 172 54 GLN HA H 2.676 0.020 1 551 172 54 GLN HB2 H 1.765 0.020 2 552 172 54 GLN HB3 H 1.660 0.020 2 553 172 54 GLN HE21 H 7.389 0.020 1 554 172 54 GLN HE22 H 6.933 0.020 1 555 172 54 GLN HG2 H 1.985 0.020 2 556 172 54 GLN HG3 H 1.432 0.020 2 557 172 54 GLN CA C 59.745 0.3 1 558 172 54 GLN CB C 28.909 0.3 1 559 172 54 GLN CG C 33.762 0.3 1 560 172 54 GLN N N 121.636 0.3 1 561 172 54 GLN NE2 N 111.955 0.3 1 562 173 55 ASN H H 8.423 0.020 1 563 173 55 ASN HA H 4.296 0.020 1 564 173 55 ASN HB2 H 2.698 0.020 2 565 173 55 ASN HB3 H 2.769 0.020 2 566 173 55 ASN HD21 H 7.645 0.020 1 567 173 55 ASN HD22 H 6.997 0.020 1 568 173 55 ASN CA C 56.440 0.3 1 569 173 55 ASN CB C 37.929 0.3 1 570 173 55 ASN N N 116.545 0.3 1 571 173 55 ASN ND2 N 112.978 0.3 1 572 174 56 ASN H H 8.657 0.020 1 573 174 56 ASN HA H 4.535 0.020 1 574 174 56 ASN HB2 H 2.961 0.020 2 575 174 56 ASN HB3 H 2.922 0.020 2 576 174 56 ASN HD21 H 7.726 0.020 1 577 174 56 ASN HD22 H 7.080 0.020 1 578 174 56 ASN CA C 55.833 0.3 1 579 174 56 ASN CB C 37.806 0.3 1 580 174 56 ASN N N 119.158 0.3 1 581 174 56 ASN ND2 N 112.118 0.3 1 582 175 57 PHE H H 8.338 0.020 1 583 175 57 PHE HA H 4.373 0.020 1 584 175 57 PHE HB2 H 3.227 0.020 2 585 175 57 PHE HB3 H 3.204 0.020 2 586 175 57 PHE HD1 H 7.348 0.020 1 587 175 57 PHE HD2 H 7.348 0.020 1 588 175 57 PHE HE1 H 7.728 0.020 1 589 175 57 PHE HE2 H 7.728 0.020 1 590 175 57 PHE HZ H 6.707 0.020 1 591 175 57 PHE CA C 61.400 0.3 1 592 175 57 PHE CB C 39.501 0.3 1 593 175 57 PHE CD1 C 132.976 0.3 1 594 175 57 PHE CE1 C 132.051 0.3 1 595 175 57 PHE CZ C 129.318 0.3 1 596 175 57 PHE N N 121.877 0.3 1 597 176 58 VAL H H 9.155 0.020 1 598 176 58 VAL HA H 3.597 0.020 1 599 176 58 VAL HB H 2.302 0.020 1 600 176 58 VAL HG1 H 1.140 0.020 2 601 176 58 VAL HG2 H 1.050 0.020 2 602 176 58 VAL CA C 67.822 0.3 1 603 176 58 VAL CB C 31.848 0.3 1 604 176 58 VAL CG1 C 24.605 0.3 1 605 176 58 VAL CG2 C 21.631 0.3 1 606 176 58 VAL N N 120.510 0.3 1 607 177 59 HIS H H 8.360 0.020 1 608 177 59 HIS HA H 4.324 0.020 1 609 177 59 HIS HB2 H 3.402 0.020 2 610 177 59 HIS HB3 H 3.352 0.020 2 611 177 59 HIS HD2 H 7.376 0.020 1 612 177 59 HIS HE1 H 8.615 0.020 1 613 177 59 HIS CA C 59.473 0.3 1 614 177 59 HIS CB C 28.129 0.3 1 615 177 59 HIS CD2 C 120.171 0.3 1 616 177 59 HIS CE1 C 136.409 0.3 1 617 177 59 HIS N N 117.274 0.3 1 618 178 60 ASP H H 7.892 0.020 1 619 178 60 ASP HA H 4.474 0.020 1 620 178 60 ASP HB2 H 2.917 0.020 2 621 178 60 ASP HB3 H 2.834 0.020 2 622 178 60 ASP CA C 57.292 0.3 1 623 178 60 ASP CB C 41.226 0.3 1 624 178 60 ASP N N 118.754 0.3 1 625 179 61 CYS H H 8.236 0.020 1 626 179 61 CYS HA H 4.776 0.020 1 627 179 61 CYS HB2 H 3.393 0.020 2 628 179 61 CYS HB3 H 2.975 0.020 2 629 179 61 CYS CA C 58.426 0.3 1 630 179 61 CYS CB C 40.757 0.3 1 631 179 61 CYS N N 119.497 0.3 1 632 180 62 VAL H H 9.280 0.020 1 633 180 62 VAL HA H 3.646 0.020 1 634 180 62 VAL HB H 2.181 0.020 1 635 180 62 VAL HG1 H 0.979 0.020 2 636 180 62 VAL HG2 H 1.101 0.020 2 637 180 62 VAL CA C 66.166 0.3 1 638 180 62 VAL CB C 31.947 0.3 1 639 180 62 VAL CG1 C 21.667 0.3 1 640 180 62 VAL CG2 C 23.652 0.3 1 641 180 62 VAL N N 125.060 0.3 1 642 181 63 ASN H H 7.735 0.020 1 643 181 63 ASN HA H 4.314 0.020 1 644 181 63 ASN HB2 H 2.841 0.020 2 645 181 63 ASN HB3 H 2.781 0.020 2 646 181 63 ASN HD21 H 7.677 0.020 1 647 181 63 ASN HD22 H 6.829 0.020 1 648 181 63 ASN CA C 56.596 0.3 1 649 181 63 ASN CB C 38.717 0.3 1 650 181 63 ASN N N 116.101 0.3 1 651 181 63 ASN ND2 N 112.180 0.3 1 652 182 64 ILE H H 8.562 0.020 1 653 182 64 ILE HA H 3.803 0.020 1 654 182 64 ILE HB H 1.543 0.020 1 655 182 64 ILE HD1 H 0.381 0.020 1 656 182 64 ILE HG12 H 0.804 0.020 2 657 182 64 ILE HG13 H 0.748 0.020 2 658 182 64 ILE HG2 H 0.328 0.020 1 659 182 64 ILE CA C 61.913 0.3 1 660 182 64 ILE CB C 36.593 0.3 1 661 182 64 ILE CD1 C 11.577 0.3 1 662 182 64 ILE CG1 C 27.573 0.3 1 663 182 64 ILE CG2 C 18.606 0.3 1 664 182 64 ILE N N 118.397 0.3 1 665 183 65 THR H H 8.184 0.020 1 666 183 65 THR HA H 4.056 0.020 1 667 183 65 THR HB H 4.490 0.020 1 668 183 65 THR HG1 H 6.331 0.020 1 669 183 65 THR HG2 H 1.498 0.020 1 670 183 65 THR CA C 68.773 0.3 1 671 183 65 THR CB C 68.141 0.3 1 672 183 65 THR CG2 C 22.228 0.3 1 673 183 65 THR N N 118.779 0.3 1 674 184 66 ILE H H 8.565 0.020 1 675 184 66 ILE HA H 3.733 0.020 1 676 184 66 ILE HB H 2.112 0.020 1 677 184 66 ILE HD1 H 0.786 0.020 1 678 184 66 ILE HG12 H 1.806 0.020 2 679 184 66 ILE HG13 H 1.276 0.020 2 680 184 66 ILE HG2 H 0.895 0.020 1 681 184 66 ILE CA C 65.448 0.3 1 682 184 66 ILE CB C 36.547 0.3 1 683 184 66 ILE CD1 C 12.696 0.3 1 684 184 66 ILE CG1 C 29.578 0.3 1 685 184 66 ILE CG2 C 16.802 0.3 1 686 184 66 ILE N N 120.889 0.3 1 687 185 67 LYS H H 8.014 0.020 1 688 185 67 LYS HA H 4.054 0.020 1 689 185 67 LYS HB2 H 1.865 0.020 1 690 185 67 LYS HB3 H 1.865 0.020 1 691 185 67 LYS HD2 H 1.594 0.020 1 692 185 67 LYS HD3 H 1.594 0.020 1 693 185 67 LYS HE2 H 2.903 0.020 1 694 185 67 LYS HE3 H 2.903 0.020 1 695 185 67 LYS HG2 H 1.486 0.020 2 696 185 67 LYS HG3 H 1.378 0.020 2 697 185 67 LYS CA C 59.946 0.3 1 698 185 67 LYS CB C 32.239 0.3 1 699 185 67 LYS CD C 29.091 0.3 1 700 185 67 LYS CE C 41.889 0.3 1 701 185 67 LYS CG C 24.976 0.3 1 702 185 67 LYS N N 122.622 0.3 1 703 186 68 GLN H H 8.336 0.020 1 704 186 68 GLN HA H 4.022 0.020 1 705 186 68 GLN HB2 H 1.987 0.020 2 706 186 68 GLN HB3 H 1.880 0.020 2 707 186 68 GLN HE21 H 6.762 0.020 1 708 186 68 GLN HE22 H 6.740 0.020 1 709 186 68 GLN HG2 H 2.083 0.020 2 710 186 68 GLN HG3 H 1.512 0.020 2 711 186 68 GLN CA C 57.437 0.3 1 712 186 68 GLN CB C 28.167 0.3 1 713 186 68 GLN CG C 33.400 0.3 1 714 186 68 GLN N N 116.185 0.3 1 715 186 68 GLN NE2 N 110.226 0.3 1 716 187 69 HIS H H 8.063 0.020 1 717 187 69 HIS HA H 4.603 0.020 1 718 187 69 HIS HB2 H 3.359 0.020 2 719 187 69 HIS HB3 H 3.305 0.020 2 720 187 69 HIS HD2 H 7.305 0.020 1 721 187 69 HIS HE1 H 8.203 0.020 1 722 187 69 HIS CA C 58.415 0.3 1 723 187 69 HIS CB C 29.882 0.3 1 724 187 69 HIS CD2 C 119.187 0.3 1 725 187 69 HIS CE1 C 137.900 0.3 1 726 187 69 HIS N N 117.620 0.3 1 727 188 70 THR H H 8.192 0.020 1 728 188 70 THR HA H 4.234 0.020 1 729 188 70 THR HB H 4.408 0.020 1 730 188 70 THR HG2 H 1.240 0.020 1 731 188 70 THR CA C 64.707 0.3 1 732 188 70 THR CB C 69.301 0.3 1 733 188 70 THR CG2 C 21.479 0.3 1 734 188 70 THR N N 114.041 0.3 1 735 189 71 VAL H H 7.999 0.020 1 736 189 71 VAL HA H 4.027 0.020 1 737 189 71 VAL HB H 2.200 0.020 1 738 189 71 VAL HG1 H 0.950 0.020 2 739 189 71 VAL HG2 H 1.010 0.020 2 740 189 71 VAL CA C 64.580 0.3 1 741 189 71 VAL CB C 32.084 0.3 1 742 189 71 VAL CG1 C 21.022 0.3 1 743 189 71 VAL CG2 C 21.334 0.3 1 744 189 71 VAL N N 121.925 0.3 1 745 190 72 THR H H 8.102 0.020 1 746 190 72 THR HA H 4.261 0.020 1 747 190 72 THR HB H 4.270 0.020 1 748 190 72 THR HG2 H 1.257 0.020 1 749 190 72 THR CA C 63.626 0.3 1 750 190 72 THR CB C 69.351 0.3 1 751 190 72 THR CG2 C 21.639 0.3 1 752 190 72 THR N N 115.383 0.3 1 753 191 73 THR H H 8.041 0.020 1 754 191 73 THR HA H 4.255 0.020 1 755 191 73 THR HB H 4.187 0.020 1 756 191 73 THR HG2 H 1.047 0.020 1 757 191 73 THR CA C 63.487 0.3 1 758 191 73 THR CB C 69.183 0.3 1 759 191 73 THR CG2 C 21.422 0.3 1 760 191 73 THR N N 115.087 0.3 1 761 192 74 THR H H 8.212 0.020 1 762 192 74 THR HA H 4.387 0.020 1 763 192 74 THR HB H 4.363 0.020 1 764 192 74 THR HG2 H 1.268 0.020 1 765 192 74 THR CA C 63.653 0.3 1 766 192 74 THR CB C 69.270 0.3 1 767 192 74 THR CG2 C 21.524 0.3 1 768 192 74 THR N N 116.363 0.3 1 769 193 75 THR H H 8.029 0.020 1 770 193 75 THR HA H 4.263 0.020 1 771 193 75 THR HB H 4.276 0.020 1 772 193 75 THR HG2 H 1.256 0.020 1 773 193 75 THR CA C 63.642 0.3 1 774 193 75 THR CB C 69.250 0.3 1 775 193 75 THR CG2 C 21.631 0.3 1 776 193 75 THR N N 116.250 0.3 1 777 194 76 LYS H H 7.989 0.020 1 778 194 76 LYS HA H 4.327 0.020 1 779 194 76 LYS HB2 H 1.929 0.020 2 780 194 76 LYS HB3 H 1.815 0.020 2 781 194 76 LYS HD2 H 1.664 0.020 1 782 194 76 LYS HD3 H 1.664 0.020 1 783 194 76 LYS HE2 H 2.968 0.020 1 784 194 76 LYS HE3 H 2.968 0.020 1 785 194 76 LYS HG2 H 1.494 0.020 2 786 194 76 LYS HG3 H 1.432 0.020 2 787 194 76 LYS CA C 56.574 0.3 1 788 194 76 LYS CB C 32.559 0.3 1 789 194 76 LYS CD C 29.067 0.3 1 790 194 76 LYS CE C 41.998 0.3 1 791 194 76 LYS CG C 24.747 0.3 1 792 194 76 LYS N N 121.520 0.3 1 793 195 77 GLY H H 8.204 0.020 1 794 195 77 GLY HA2 H 4.039 0.020 1 795 195 77 GLY CA C 45.427 0.3 1 796 195 77 GLY N N 109.345 0.3 1 797 196 78 GLU H H 7.855 0.020 1 798 196 78 GLU HA H 4.253 0.020 1 799 196 78 GLU HB2 H 1.731 0.020 1 800 196 78 GLU HB3 H 1.731 0.020 1 801 196 78 GLU HG2 H 2.136 0.020 2 802 196 78 GLU HG3 H 2.154 0.020 2 803 196 78 GLU CA C 55.762 0.3 1 804 196 78 GLU CB C 30.346 0.3 1 805 196 78 GLU CG C 35.347 0.3 1 806 196 78 GLU N N 120.045 0.3 1 807 197 79 ASN H H 8.527 0.020 1 808 197 79 ASN HA H 4.664 0.020 1 809 197 79 ASN HB2 H 2.729 0.020 2 810 197 79 ASN HB3 H 2.645 0.020 2 811 197 79 ASN HD21 H 7.591 0.020 1 812 197 79 ASN HD22 H 6.881 0.020 1 813 197 79 ASN CA C 52.910 0.3 1 814 197 79 ASN CB C 39.726 0.3 1 815 197 79 ASN N N 119.997 0.3 1 816 197 79 ASN ND2 N 113.169 0.3 1 817 198 80 PHE H H 8.650 0.020 1 818 198 80 PHE HA H 5.248 0.020 1 819 198 80 PHE HB2 H 3.011 0.020 2 820 198 80 PHE HB3 H 3.189 0.020 2 821 198 80 PHE HD1 H 7.349 0.020 1 822 198 80 PHE HD2 H 7.349 0.020 1 823 198 80 PHE HE1 H 7.440 0.020 1 824 198 80 PHE HE2 H 7.440 0.020 1 825 198 80 PHE CA C 56.725 0.3 1 826 198 80 PHE CB C 39.925 0.3 1 827 198 80 PHE CD1 C 131.467 0.3 1 828 198 80 PHE CE1 C 129.919 0.3 1 829 198 80 PHE N N 122.212 0.3 1 830 199 81 THR H H 9.501 0.020 1 831 199 81 THR HA H 4.617 0.020 1 832 199 81 THR HB H 4.834 0.020 1 833 199 81 THR HG2 H 1.443 0.020 1 834 199 81 THR CA C 60.630 0.3 1 835 199 81 THR CB C 72.661 0.3 1 836 199 81 THR CG2 C 21.676 0.3 1 837 199 81 THR N N 116.404 0.3 1 838 200 82 GLU H H 9.150 0.020 1 839 200 82 GLU HA H 4.096 0.020 1 840 200 82 GLU HB2 H 2.140 0.020 2 841 200 82 GLU HB3 H 2.079 0.020 2 842 200 82 GLU HG2 H 2.440 0.020 2 843 200 82 GLU HG3 H 2.384 0.020 2 844 200 82 GLU CA C 59.694 0.3 1 845 200 82 GLU CB C 28.655 0.3 1 846 200 82 GLU CG C 35.416 0.3 1 847 200 82 GLU N N 119.905 0.3 1 848 201 83 THR H H 7.988 0.020 1 849 201 83 THR HA H 3.817 0.020 1 850 201 83 THR HB H 3.764 0.020 1 851 201 83 THR HG2 H 0.760 0.020 1 852 201 83 THR CA C 66.861 0.3 1 853 201 83 THR CB C 68.622 0.3 1 854 201 83 THR CG2 C 21.328 0.3 1 855 201 83 THR N N 116.462 0.3 1 856 202 84 ASP H H 7.518 0.020 1 857 202 84 ASP HA H 4.552 0.020 1 858 202 84 ASP HB2 H 3.235 0.020 2 859 202 84 ASP HB3 H 2.475 0.020 2 860 202 84 ASP CA C 57.930 0.3 1 861 202 84 ASP CB C 41.201 0.3 1 862 202 84 ASP N N 120.256 0.3 1 863 203 85 VAL H H 8.254 0.020 1 864 203 85 VAL HA H 3.359 0.020 1 865 203 85 VAL HB H 2.142 0.020 1 866 203 85 VAL HG1 H 1.027 0.020 2 867 203 85 VAL HG2 H 0.916 0.020 2 868 203 85 VAL CA C 67.599 0.3 1 869 203 85 VAL CB C 31.549 0.3 1 870 203 85 VAL CG1 C 22.747 0.3 1 871 203 85 VAL CG2 C 21.078 0.3 1 872 203 85 VAL N N 119.798 0.3 1 873 204 86 LYS H H 7.721 0.020 1 874 204 86 LYS HA H 4.074 0.020 1 875 204 86 LYS HB2 H 1.936 0.020 1 876 204 86 LYS HB3 H 1.936 0.020 1 877 204 86 LYS HD2 H 1.687 0.020 1 878 204 86 LYS HD3 H 1.687 0.020 1 879 204 86 LYS HE2 H 2.916 0.020 1 880 204 86 LYS HE3 H 2.916 0.020 1 881 204 86 LYS HG2 H 1.627 0.020 2 882 204 86 LYS HG3 H 1.433 0.020 2 883 204 86 LYS CA C 59.331 0.3 1 884 204 86 LYS CB C 32.052 0.3 1 885 204 86 LYS CD C 29.234 0.3 1 886 204 86 LYS CE C 41.895 0.3 1 887 204 86 LYS CG C 25.108 0.3 1 888 204 86 LYS N N 119.296 0.3 1 889 205 87 MET H H 8.246 0.020 1 890 205 87 MET HA H 4.139 0.020 1 891 205 87 MET HB2 H 2.312 0.020 2 892 205 87 MET HB3 H 1.900 0.020 2 893 205 87 MET HE H 1.492 0.020 1 894 205 87 MET HG2 H 3.012 0.020 2 895 205 87 MET HG3 H 2.339 0.020 2 896 205 87 MET CA C 59.686 0.3 1 897 205 87 MET CB C 32.791 0.3 1 898 205 87 MET CE C 18.084 0.3 1 899 205 87 MET CG C 33.903 0.3 1 900 205 87 MET N N 118.764 0.3 1 901 206 88 MET H H 8.746 0.020 1 902 206 88 MET HA H 3.546 0.020 1 903 206 88 MET HB2 H 1.899 0.020 2 904 206 88 MET HB3 H 1.792 0.020 2 905 206 88 MET HE H 1.531 0.020 1 906 206 88 MET HG2 H 2.012 0.020 2 907 206 88 MET HG3 H 1.873 0.020 2 908 206 88 MET CA C 59.510 0.3 1 909 206 88 MET CB C 33.108 0.3 1 910 206 88 MET CE C 16.253 0.3 1 911 206 88 MET CG C 32.441 0.3 1 912 206 88 MET N N 118.371 0.3 1 913 207 89 GLU H H 8.377 0.020 1 914 207 89 GLU HA H 3.689 0.020 1 915 207 89 GLU HB2 H 2.220 0.020 2 916 207 89 GLU HB3 H 2.089 0.020 2 917 207 89 GLU HG2 H 2.559 0.020 2 918 207 89 GLU HG3 H 2.239 0.020 2 919 207 89 GLU CA C 60.493 0.3 1 920 207 89 GLU CB C 28.020 0.3 1 921 207 89 GLU CG C 34.942 0.3 1 922 207 89 GLU N N 118.272 0.3 1 923 208 90 ARG H H 7.347 0.020 1 924 208 90 ARG HA H 4.160 0.020 1 925 208 90 ARG HB2 H 1.904 0.020 2 926 208 90 ARG HB3 H 2.075 0.020 2 927 208 90 ARG HD2 H 3.214 0.020 2 928 208 90 ARG HD3 H 3.133 0.020 2 929 208 90 ARG HE H 7.315 0.020 1 930 208 90 ARG HG2 H 1.792 0.020 2 931 208 90 ARG HG3 H 1.741 0.020 2 932 208 90 ARG CA C 58.328 0.3 1 933 208 90 ARG CB C 29.732 0.3 1 934 208 90 ARG CD C 42.371 0.3 1 935 208 90 ARG CG C 26.769 0.3 1 936 208 90 ARG N N 117.076 0.3 1 937 208 90 ARG NE N 83.224 0.3 1 938 209 91 VAL H H 8.233 0.020 1 939 209 91 VAL HA H 3.725 0.020 1 940 209 91 VAL HB H 2.308 0.020 1 941 209 91 VAL HG1 H 1.321 0.020 2 942 209 91 VAL HG2 H 1.239 0.020 2 943 209 91 VAL CA C 65.985 0.3 1 944 209 91 VAL CB C 32.260 0.3 1 945 209 91 VAL CG1 C 24.112 0.3 1 946 209 91 VAL CG2 C 20.969 0.3 1 947 209 91 VAL N N 119.393 0.3 1 948 210 92 VAL H H 8.943 0.020 1 949 210 92 VAL HA H 3.623 0.020 1 950 210 92 VAL HB H 2.262 0.020 1 951 210 92 VAL HG1 H 1.219 0.020 2 952 210 92 VAL HG2 H 0.972 0.020 2 953 210 92 VAL CA C 66.568 0.3 1 954 210 92 VAL CB C 31.266 0.3 1 955 210 92 VAL CG1 C 24.439 0.3 1 956 210 92 VAL CG2 C 24.087 0.3 1 957 210 92 VAL N N 120.653 0.3 1 958 211 93 GLU H H 8.238 0.020 1 959 211 93 GLU HA H 3.608 0.020 1 960 211 93 GLU HB2 H 2.229 0.020 2 961 211 93 GLU HB3 H 2.131 0.020 2 962 211 93 GLU HG2 H 2.272 0.020 2 963 211 93 GLU HG3 H 2.197 0.020 2 964 211 93 GLU CA C 61.029 0.3 1 965 211 93 GLU CB C 28.536 0.3 1 966 211 93 GLU CG C 35.291 0.3 1 967 211 93 GLU N N 120.301 0.3 1 968 212 94 GLN H H 7.271 0.020 1 969 212 94 GLN HA H 4.001 0.020 1 970 212 94 GLN HB2 H 2.156 0.020 2 971 212 94 GLN HB3 H 2.131 0.020 2 972 212 94 GLN HE21 H 7.444 0.020 1 973 212 94 GLN HE22 H 6.827 0.020 1 974 212 94 GLN HG2 H 2.467 0.020 2 975 212 94 GLN HG3 H 2.398 0.020 2 976 212 94 GLN CA C 59.106 0.3 1 977 212 94 GLN CB C 27.883 0.3 1 978 212 94 GLN CG C 33.932 0.3 1 979 212 94 GLN N N 115.606 0.3 1 980 212 94 GLN NE2 N 111.867 0.3 1 981 213 95 MET H H 8.322 0.020 1 982 213 95 MET HA H 4.149 0.020 1 983 213 95 MET HB2 H 2.207 0.020 2 984 213 95 MET HB3 H 2.049 0.020 2 985 213 95 MET HE H 1.907 0.020 1 986 213 95 MET HG2 H 2.850 0.020 2 987 213 95 MET HG3 H 2.490 0.020 2 988 213 95 MET CA C 59.969 0.3 1 989 213 95 MET CB C 34.412 0.3 1 990 213 95 MET CE C 16.831 0.3 1 991 213 95 MET CG C 32.549 0.3 1 992 213 95 MET N N 119.445 0.3 1 993 214 96 CYS H H 9.212 0.020 1 994 214 96 CYS HA H 4.438 0.020 1 995 214 96 CYS HB2 H 3.568 0.020 2 996 214 96 CYS HB3 H 2.924 0.020 2 997 214 96 CYS CA C 59.759 0.3 1 998 214 96 CYS CB C 41.524 0.3 1 999 214 96 CYS N N 119.183 0.3 1 1000 215 97 VAL H H 8.329 0.020 1 1001 215 97 VAL HA H 3.517 0.020 1 1002 215 97 VAL HB H 2.322 0.020 1 1003 215 97 VAL HG1 H 1.125 0.020 2 1004 215 97 VAL HG2 H 0.923 0.020 2 1005 215 97 VAL CA C 67.624 0.3 1 1006 215 97 VAL CB C 31.473 0.3 1 1007 215 97 VAL CG1 C 23.772 0.3 1 1008 215 97 VAL CG2 C 21.232 0.3 1 1009 215 97 VAL N N 123.378 0.3 1 1010 216 98 THR H H 8.137 0.020 1 1011 216 98 THR HA H 3.896 0.020 1 1012 216 98 THR HB H 4.304 0.020 1 1013 216 98 THR HG2 H 1.246 0.020 1 1014 216 98 THR CA C 66.960 0.3 1 1015 216 98 THR CB C 68.230 0.3 1 1016 216 98 THR CG2 C 22.285 0.3 1 1017 216 98 THR N N 118.267 0.3 1 1018 217 99 GLN H H 8.851 0.020 1 1019 217 99 GLN HA H 3.619 0.020 1 1020 217 99 GLN HB2 H 2.327 0.020 2 1021 217 99 GLN HB3 H 2.111 0.020 2 1022 217 99 GLN HE21 H 7.238 0.020 1 1023 217 99 GLN HE22 H 6.887 0.020 1 1024 217 99 GLN HG2 H 1.679 0.020 2 1025 217 99 GLN HG3 H 1.604 0.020 2 1026 217 99 GLN CA C 58.534 0.3 1 1027 217 99 GLN CB C 28.186 0.3 1 1028 217 99 GLN CG C 32.590 0.3 1 1029 217 99 GLN N N 122.514 0.3 1 1030 217 99 GLN NE2 N 114.959 0.3 1 1031 218 100 TYR H H 8.506 0.020 1 1032 218 100 TYR HA H 2.897 0.020 1 1033 218 100 TYR HB2 H 3.007 0.020 2 1034 218 100 TYR HB3 H 2.790 0.020 2 1035 218 100 TYR HD1 H 6.238 0.020 1 1036 218 100 TYR HD2 H 6.238 0.020 1 1037 218 100 TYR HE1 H 6.556 0.020 1 1038 218 100 TYR HE2 H 6.556 0.020 1 1039 218 100 TYR CA C 61.892 0.3 1 1040 218 100 TYR CB C 37.035 0.3 1 1041 218 100 TYR CD1 C 132.460 0.3 1 1042 218 100 TYR CE1 C 117.677 0.3 1 1043 218 100 TYR N N 120.264 0.3 1 1044 219 101 GLN H H 8.160 0.020 1 1045 219 101 GLN HA H 3.671 0.020 1 1046 219 101 GLN HB2 H 2.301 0.020 2 1047 219 101 GLN HB3 H 2.055 0.020 2 1048 219 101 GLN HE21 H 7.446 0.020 1 1049 219 101 GLN HE22 H 6.836 0.020 1 1050 219 101 GLN HG2 H 2.665 0.020 2 1051 219 101 GLN HG3 H 2.449 0.020 2 1052 219 101 GLN CA C 58.840 0.3 1 1053 219 101 GLN CB C 27.427 0.3 1 1054 219 101 GLN CG C 33.718 0.3 1 1055 219 101 GLN N N 119.700 0.3 1 1056 219 101 GLN NE2 N 110.989 0.3 1 1057 220 102 LYS H H 7.884 0.020 1 1058 220 102 LYS HA H 3.976 0.020 1 1059 220 102 LYS HB2 H 1.878 0.020 2 1060 220 102 LYS HB3 H 1.821 0.020 2 1061 220 102 LYS HD2 H 1.578 0.020 1 1062 220 102 LYS HD3 H 1.578 0.020 1 1063 220 102 LYS HE2 H 2.897 0.020 1 1064 220 102 LYS HE3 H 2.897 0.020 1 1065 220 102 LYS HG2 H 1.542 0.020 2 1066 220 102 LYS HG3 H 1.367 0.020 2 1067 220 102 LYS CA C 59.178 0.3 1 1068 220 102 LYS CB C 32.248 0.3 1 1069 220 102 LYS CD C 29.350 0.3 1 1070 220 102 LYS CE C 41.895 0.3 1 1071 220 102 LYS CG C 24.917 0.3 1 1072 220 102 LYS N N 119.127 0.3 1 1073 221 103 GLU H H 8.250 0.020 1 1074 221 103 GLU HA H 4.031 0.020 1 1075 221 103 GLU HB2 H 2.154 0.020 2 1076 221 103 GLU HB3 H 1.598 0.020 2 1077 221 103 GLU HG2 H 2.159 0.020 2 1078 221 103 GLU HG3 H 2.419 0.020 2 1079 221 103 GLU CA C 57.503 0.3 1 1080 221 103 GLU CB C 29.312 0.3 1 1081 221 103 GLU CG C 35.661 0.3 1 1082 221 103 GLU N N 118.027 0.3 1 1083 222 104 SER H H 8.211 0.020 1 1084 222 104 SER HA H 3.979 0.020 1 1085 222 104 SER HB2 H 3.547 0.020 2 1086 222 104 SER HB3 H 3.297 0.020 2 1087 222 104 SER CA C 60.471 0.3 1 1088 222 104 SER CB C 62.616 0.3 1 1089 222 104 SER N N 114.928 0.3 1 1090 223 105 GLN H H 7.727 0.020 1 1091 223 105 GLN HA H 4.099 0.020 1 1092 223 105 GLN HB2 H 2.069 0.020 1 1093 223 105 GLN HB3 H 2.069 0.020 1 1094 223 105 GLN HE21 H 7.568 0.020 1 1095 223 105 GLN HE22 H 6.835 0.020 1 1096 223 105 GLN HG2 H 2.418 0.020 2 1097 223 105 GLN HG3 H 2.349 0.020 2 1098 223 105 GLN CA C 57.413 0.3 1 1099 223 105 GLN CB C 28.440 0.3 1 1100 223 105 GLN CG C 33.731 0.3 1 1101 223 105 GLN N N 121.791 0.3 1 1102 223 105 GLN NE2 N 112.769 0.3 1 1103 224 106 ALA H H 7.789 0.020 1 1104 224 106 ALA HA H 4.193 0.020 1 1105 224 106 ALA HB H 1.414 0.020 1 1106 224 106 ALA CA C 53.806 0.3 1 1107 224 106 ALA CB C 18.363 0.3 1 1108 224 106 ALA N N 122.291 0.3 1 1109 225 107 ALA H H 7.921 0.020 1 1110 225 107 ALA HA H 4.208 0.020 1 1111 225 107 ALA HB H 1.400 0.020 1 1112 225 107 ALA CA C 53.402 0.3 1 1113 225 107 ALA CB C 18.443 0.3 1 1114 225 107 ALA N N 121.203 0.3 1 1115 226 108 ALA H H 7.925 0.020 1 1116 226 108 ALA HA H 4.210 0.020 1 1117 226 108 ALA HB H 1.429 0.020 1 1118 226 108 ALA CA C 53.394 0.3 1 1119 226 108 ALA CB C 18.531 0.3 1 1120 226 108 ALA N N 122.132 0.3 1 1121 227 109 ASP H H 8.184 0.020 1 1122 227 109 ASP HA H 4.570 0.020 1 1123 227 109 ASP HB2 H 2.765 0.020 1 1124 227 109 ASP HB3 H 2.765 0.020 1 1125 227 109 ASP CA C 54.509 0.3 1 1126 227 109 ASP CB C 40.362 0.3 1 1127 227 109 ASP N N 118.108 0.3 1 1128 228 110 GLY H H 8.158 0.020 1 1129 228 110 GLY HA2 H 3.955 0.020 1 1130 228 110 GLY HA3 H 3.955 0.020 1 1131 228 110 GLY CA C 45.638 0.3 1 1132 228 110 GLY N N 108.432 0.3 1 1133 229 111 ARG H H 8.003 0.020 1 1134 229 111 ARG HA H 4.350 0.020 1 1135 229 111 ARG HB2 H 1.807 0.020 2 1136 229 111 ARG HB3 H 1.878 0.020 2 1137 229 111 ARG HD2 H 3.204 0.020 1 1138 229 111 ARG HD3 H 3.204 0.020 1 1139 229 111 ARG HE H 7.336 0.020 1 1140 229 111 ARG HG2 H 1.654 0.020 2 1141 229 111 ARG HG3 H 1.614 0.020 2 1142 229 111 ARG CA C 56.103 0.3 1 1143 229 111 ARG CB C 30.644 0.3 1 1144 229 111 ARG CD C 43.295 0.3 1 1145 229 111 ARG CG C 27.106 0.3 1 1146 229 111 ARG N N 120.075 0.3 1 1147 229 111 ARG NE N 84.737 0.3 1 1148 230 112 ARG H H 8.358 0.020 1 1149 230 112 ARG HA H 4.426 0.020 1 1150 230 112 ARG HB2 H 1.811 0.020 2 1151 230 112 ARG HB3 H 1.925 0.020 2 1152 230 112 ARG HD2 H 3.221 0.020 1 1153 230 112 ARG HD3 H 3.221 0.020 1 1154 230 112 ARG HE H 7.267 0.020 1 1155 230 112 ARG HG2 H 1.692 0.020 2 1156 230 112 ARG HG3 H 1.655 0.020 2 1157 230 112 ARG CA C 55.954 0.3 1 1158 230 112 ARG CB C 30.944 0.3 1 1159 230 112 ARG CD C 43.243 0.3 1 1160 230 112 ARG CG C 27.056 0.3 1 1161 230 112 ARG N N 122.130 0.3 1 1162 230 112 ARG NE N 84.688 0.3 1 1163 231 113 SER H H 8.485 0.020 1 1164 231 113 SER HA H 4.505 0.020 1 1165 231 113 SER HB2 H 3.922 0.020 2 1166 231 113 SER HB3 H 3.882 0.020 2 1167 231 113 SER CA C 58.261 0.3 1 1168 231 113 SER CB C 63.951 0.3 1 1169 231 113 SER N N 117.624 0.3 1 1170 232 114 SER H H 8.069 0.020 1 1171 232 114 SER HA H 4.290 0.020 1 1172 232 114 SER HB2 H 3.869 0.020 1 1173 232 114 SER HB3 H 3.869 0.020 1 1174 232 114 SER CA C 59.895 0.3 1 1175 232 114 SER CB C 64.673 0.3 1 1176 232 114 SER N N 122.774 0.3 1 stop_ save_