data_34003 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; PrP226* - Solution-state NMR structure of truncated human prion protein ; _BMRB_accession_number 34003 _BMRB_flat_file_name bmr34003.str _Entry_type original _Submission_date 2016-05-31 _Accession_date 2016-05-31 _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 Kovac V. . . 2 Zupancic B. . . 3 Ilc G. . . 4 'Curin Serbec' V. . . 5 Plavec J. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 745 "13C chemical shifts" 427 "15N chemical shifts" 143 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-02-21 update BMRB 'update entry citation' 2016-09-30 original author 'original release' stop_ _Original_release_date 2016-09-30 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Truncated prion protein PrP226* - A structural view on its role in amyloid disease ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28109886 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kovac Valerija . . 2 Zupancic Blaz . . 3 Ilc Gregor . . 4 Plavec Janez . . 5 'Curin Serbec' Vladka . . stop_ _Journal_abbreviation 'Biochem. Biophys. Res. Commun.' _Journal_name_full 'Biochemical and biophysical research communications' _Journal_volume 484 _Journal_issue 1 _Journal_ISSN 1090-2104 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 45 _Page_last 50 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Major prion protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 16595.449 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 145 _Mol_residue_sequence ; GQGGGTHSQWNKPSKPKTNM KHMAGAAAAGAVVGGLGGYM LGSAMSRPIIHFGSDYEDRY YRENMHRYPNQVYYRPMDEY SNQNNFVHDCVNITIKQHTV TTTTKGENFTETDVKMMERV VEQMCITQYERESQAYYGGH HHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 90 GLY 2 91 GLN 3 92 GLY 4 93 GLY 5 94 GLY 6 95 THR 7 96 HIS 8 97 SER 9 98 GLN 10 99 TRP 11 100 ASN 12 101 LYS 13 102 PRO 14 103 SER 15 104 LYS 16 105 PRO 17 106 LYS 18 107 THR 19 108 ASN 20 109 MET 21 110 LYS 22 111 HIS 23 112 MET 24 113 ALA 25 114 GLY 26 115 ALA 27 116 ALA 28 117 ALA 29 118 ALA 30 119 GLY 31 120 ALA 32 121 VAL 33 122 VAL 34 123 GLY 35 124 GLY 36 125 LEU 37 126 GLY 38 127 GLY 39 128 TYR 40 129 MET 41 130 LEU 42 131 GLY 43 132 SER 44 133 ALA 45 134 MET 46 135 SER 47 136 ARG 48 137 PRO 49 138 ILE 50 139 ILE 51 140 HIS 52 141 PHE 53 142 GLY 54 143 SER 55 144 ASP 56 145 TYR 57 146 GLU 58 147 ASP 59 148 ARG 60 149 TYR 61 150 TYR 62 151 ARG 63 152 GLU 64 153 ASN 65 154 MET 66 155 HIS 67 156 ARG 68 157 TYR 69 158 PRO 70 159 ASN 71 160 GLN 72 161 VAL 73 162 TYR 74 163 TYR 75 164 ARG 76 165 PRO 77 166 MET 78 167 ASP 79 168 GLU 80 169 TYR 81 170 SER 82 171 ASN 83 172 GLN 84 173 ASN 85 174 ASN 86 175 PHE 87 176 VAL 88 177 HIS 89 178 ASP 90 179 CYS 91 180 VAL 92 181 ASN 93 182 ILE 94 183 THR 95 184 ILE 96 185 LYS 97 186 GLN 98 187 HIS 99 188 THR 100 189 VAL 101 190 THR 102 191 THR 103 192 THR 104 193 THR 105 194 LYS 106 195 GLY 107 196 GLU 108 197 ASN 109 198 PHE 110 199 THR 111 200 GLU 112 201 THR 113 202 ASP 114 203 VAL 115 204 LYS 116 205 MET 117 206 MET 118 207 GLU 119 208 ARG 120 209 VAL 121 210 VAL 122 211 GLU 123 212 GLN 124 213 MET 125 214 CYS 126 215 ILE 127 216 THR 128 217 GLN 129 218 TYR 130 219 GLU 131 220 ARG 132 221 GLU 133 222 SER 134 223 GLN 135 224 ALA 136 225 TYR 137 226 TYR 138 227 GLY 139 228 GLY 140 229 HIS 141 230 HIS 142 231 HIS 143 232 HIS 144 233 HIS 145 234 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'PRNP, ALTPRP, PRIP, PRP' 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_1 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.9 mM (13C, 15N)-doubly labeled PrP226*, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.9 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CHIMERA _Version . loop_ _Vendor _Address _Electronic_address 'Resource for Biocomputing, Visualization, and Informatics' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_5 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_software_7 _Saveframe_category software _Name VNMR _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_8 _Saveframe_category software _Name YASARA _Version . loop_ _Vendor _Address _Electronic_address 'Prof. Dr. Gregor Hoegenauer, Prof. Dr. Guenther Koraimann, Prof. Dr. Andreas Kungl, Prof. Dr. Gert Vriend' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model VNMRS _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_CCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_NH2_only_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC NH2 only' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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' 150 . mM pH 4.9 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 external indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 external indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 external indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 $software_4 $software_5 $software_7 stop_ loop_ _Experiment_label '3D HNCO' '3D HNCA' '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '3D 1H-13C NOESY aromatic' '3D CBCA(CO)NH' '2D 1H-13C HSQC aromatic' '3D 1H-13C NOESY aliphatic' '3D HNCACB' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D CCH-TOCSY' '3D HBHA(CO)NH' '2D 1H-15N HSQC NH2 only' '3D HN(CO)CA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 90 1 GLY H H 8.763 0.000 . 2 90 1 GLY HA2 H 4.798 0.000 . 3 90 1 GLY HA3 H 4.747 0.000 . 4 90 1 GLY CA C 45.115 0.001 . 5 90 1 GLY N N 111.940 0.000 . 6 91 2 GLN H H 8.508 0.000 . 7 91 2 GLN HA H 4.364 0.000 . 8 91 2 GLN HB2 H 1.983 0.000 . 9 91 2 GLN HB3 H 2.125 0.000 . 10 91 2 GLN HG2 H 2.364 0.000 . 11 91 2 GLN HG3 H 2.364 0.000 . 12 91 2 GLN HE21 H 7.527 0.000 . 13 91 2 GLN HE22 H 6.855 0.000 . 14 91 2 GLN CA C 55.931 0.000 . 15 91 2 GLN CB C 29.492 0.009 . 16 91 2 GLN CG C 33.681 0.000 . 17 91 2 GLN N N 120.240 0.000 . 18 91 2 GLN NE2 N 112.279 0.001 . 19 92 3 GLY H H 8.626 0.000 . 20 92 3 GLY HA2 H 3.989 0.000 . 21 92 3 GLY HA3 H 3.990 0.000 . 22 92 3 GLY CA C 45.001 0.002 . 23 92 3 GLY N N 110.845 0.000 . 24 93 4 GLY H H 8.350 0.000 . 25 93 4 GLY HA2 H 3.990 0.000 . 26 93 4 GLY HA3 H 3.991 0.000 . 27 93 4 GLY CA C 45.115 0.005 . 28 93 4 GLY N N 108.774 0.000 . 29 94 5 GLY H H 8.367 0.000 . 30 94 5 GLY HA2 H 3.925 0.000 . 31 94 5 GLY HA3 H 3.925 0.000 . 32 94 5 GLY CA C 45.064 0.001 . 33 94 5 GLY N N 108.831 0.000 . 34 95 6 THR H H 8.120 0.000 . 35 95 6 THR HA H 4.275 0.000 . 36 95 6 THR HB H 4.157 0.000 . 37 95 6 THR HG2 H 1.143 0.000 . 38 95 6 THR CA C 61.892 0.000 . 39 95 6 THR CB C 69.716 0.000 . 40 95 6 THR CG2 C 21.420 0.000 . 41 95 6 THR N N 113.449 0.000 . 42 96 7 HIS H H 8.568 0.000 . 43 96 7 HIS HA H 4.702 0.000 . 44 96 7 HIS HB2 H 3.231 0.000 . 45 96 7 HIS HB3 H 3.114 0.000 . 46 96 7 HIS HD2 H 7.178 0.000 . 47 96 7 HIS HE1 H 8.423 0.000 . 48 96 7 HIS CA C 55.220 0.000 . 49 96 7 HIS CB C 29.066 0.007 . 50 96 7 HIS CD2 C 119.887 0.000 . 51 96 7 HIS CE1 C 136.639 0.000 . 52 96 7 HIS N N 120.643 0.000 . 53 97 8 SER H H 8.307 0.000 . 54 97 8 SER HA H 4.366 0.000 . 55 97 8 SER HB2 H 3.747 0.000 . 56 97 8 SER HB3 H 3.791 0.000 . 57 97 8 SER CA C 58.338 0.000 . 58 97 8 SER CB C 63.612 0.003 . 59 97 8 SER N N 117.026 0.000 . 60 98 9 GLN H H 8.469 0.000 . 61 98 9 GLN HA H 4.273 0.000 . 62 98 9 GLN HB2 H 1.952 0.000 . 63 98 9 GLN HB3 H 1.857 0.000 . 64 98 9 GLN HG2 H 2.152 0.000 . 65 98 9 GLN HG3 H 2.152 0.000 . 66 98 9 GLN HE21 H 6.826 0.000 . 67 98 9 GLN HE22 H 7.400 0.000 . 68 98 9 GLN CA C 55.961 0.000 . 69 98 9 GLN CB C 29.084 0.012 . 70 98 9 GLN CG C 33.441 0.000 . 71 98 9 GLN N N 122.127 0.000 . 72 98 9 GLN NE2 N 112.253 0.001 . 73 99 10 TRP H H 8.119 0.000 . 74 99 10 TRP HA H 4.668 0.000 . 75 99 10 TRP HB2 H 3.194 0.000 . 76 99 10 TRP HB3 H 3.289 0.000 . 77 99 10 TRP HD1 H 7.219 0.000 . 78 99 10 TRP HE1 H 10.102 0.000 . 79 99 10 TRP HE3 H 7.592 0.000 . 80 99 10 TRP HZ2 H 7.447 0.000 . 81 99 10 TRP HZ3 H 7.114 0.000 . 82 99 10 TRP HH2 H 7.200 0.000 . 83 99 10 TRP CA C 57.054 0.000 . 84 99 10 TRP CB C 29.459 0.010 . 85 99 10 TRP CD1 C 127.034 0.000 . 86 99 10 TRP CE3 C 120.900 0.000 . 87 99 10 TRP CZ2 C 114.611 0.000 . 88 99 10 TRP CZ3 C 122.053 0.000 . 89 99 10 TRP CH2 C 124.676 0.000 . 90 99 10 TRP N N 121.844 0.000 . 91 99 10 TRP NE1 N 129.243 0.000 . 92 100 11 ASN H H 8.112 0.000 . 93 100 11 ASN HA H 4.651 0.000 . 94 100 11 ASN HB2 H 2.528 0.000 . 95 100 11 ASN HB3 H 2.553 0.000 . 96 100 11 ASN HD21 H 6.820 0.000 . 97 100 11 ASN HD22 H 7.456 0.000 . 98 100 11 ASN CA C 52.742 0.000 . 99 100 11 ASN CB C 38.753 0.006 . 100 100 11 ASN N N 120.717 0.000 . 101 100 11 ASN ND2 N 112.507 0.001 . 102 101 12 LYS H H 8.000 0.000 . 103 101 12 LYS HA H 4.429 0.000 . 104 101 12 LYS HB2 H 1.756 0.000 . 105 101 12 LYS HB3 H 1.756 0.000 . 106 101 12 LYS HG2 H 1.397 0.000 . 107 101 12 LYS HG3 H 1.347 0.000 . 108 101 12 LYS HD2 H 1.592 0.000 . 109 101 12 LYS HD3 H 1.608 0.000 . 110 101 12 LYS HE2 H 2.962 0.000 . 111 101 12 LYS HE3 H 2.974 0.000 . 112 101 12 LYS CA C 54.115 0.000 . 113 101 12 LYS CB C 32.505 0.000 . 114 101 12 LYS CG C 24.665 0.007 . 115 101 12 LYS CD C 29.004 0.002 . 116 101 12 LYS CE C 41.832 0.002 . 117 101 12 LYS N N 122.734 0.000 . 118 102 13 PRO HA H 4.404 0.000 . 119 102 13 PRO HB2 H 2.288 0.000 . 120 102 13 PRO HB3 H 1.893 0.000 . 121 102 13 PRO HG2 H 2.011 0.000 . 122 102 13 PRO HG3 H 2.011 0.000 . 123 102 13 PRO HD2 H 3.772 0.000 . 124 102 13 PRO HD3 H 3.619 0.000 . 125 102 13 PRO CA C 62.996 0.000 . 126 102 13 PRO CB C 32.103 0.000 . 127 102 13 PRO CG C 27.346 0.000 . 128 102 13 PRO CD C 50.653 0.004 . 129 103 14 SER H H 8.427 0.000 . 130 103 14 SER HA H 4.426 0.000 . 131 103 14 SER HB2 H 3.821 0.000 . 132 103 14 SER HB3 H 3.821 0.000 . 133 103 14 SER CA C 57.959 0.000 . 134 103 14 SER CB C 63.866 0.000 . 135 103 14 SER N N 116.927 0.000 . 136 104 15 LYS H H 8.337 0.000 . 137 104 15 LYS HA H 4.613 0.000 . 138 104 15 LYS HB2 H 1.811 0.000 . 139 104 15 LYS HB3 H 1.811 0.000 . 140 104 15 LYS HG2 H 1.472 0.000 . 141 104 15 LYS HG3 H 1.438 0.000 . 142 104 15 LYS HD2 H 1.694 0.000 . 143 104 15 LYS HD3 H 1.686 0.000 . 144 104 15 LYS HE2 H 2.975 0.000 . 145 104 15 LYS HE3 H 2.956 0.000 . 146 104 15 LYS CA C 54.163 0.000 . 147 104 15 LYS CB C 32.615 0.000 . 148 104 15 LYS CG C 24.591 0.009 . 149 104 15 LYS CD C 29.029 0.004 . 150 104 15 LYS CE C 41.877 0.006 . 151 104 15 LYS N N 124.195 0.000 . 152 105 16 PRO HA H 4.648 0.000 . 153 105 16 PRO HB2 H 2.147 0.000 . 154 105 16 PRO HB3 H 2.147 0.000 . 155 105 16 PRO HG2 H 2.011 0.000 . 156 105 16 PRO HG3 H 2.011 0.000 . 157 105 16 PRO HD2 H 3.619 0.000 . 158 105 16 PRO HD3 H 3.819 0.000 . 159 105 16 PRO CA C 62.744 0.000 . 160 105 16 PRO CB C 34.501 0.000 . 161 105 16 PRO CG C 27.346 0.000 . 162 105 16 PRO CD C 50.666 0.009 . 163 106 17 LYS H H 8.627 0.000 . 164 106 17 LYS HA H 4.331 0.000 . 165 106 17 LYS HB2 H 1.751 0.000 . 166 106 17 LYS HB3 H 1.746 0.000 . 167 106 17 LYS HG2 H 1.501 0.000 . 168 106 17 LYS HG3 H 1.452 0.000 . 169 106 17 LYS HD2 H 1.628 0.000 . 170 106 17 LYS HD3 H 1.628 0.000 . 171 106 17 LYS HE2 H 2.946 0.000 . 172 106 17 LYS HE3 H 2.996 0.000 . 173 106 17 LYS CA C 56.299 0.000 . 174 106 17 LYS CB C 32.806 0.004 . 175 106 17 LYS CG C 24.924 0.006 . 176 106 17 LYS CD C 28.962 0.001 . 177 106 17 LYS CE C 41.829 0.048 . 178 106 17 LYS N N 121.968 0.000 . 179 107 18 THR H H 8.141 0.000 . 180 107 18 THR HA H 4.317 0.000 . 181 107 18 THR HB H 4.158 0.000 . 182 107 18 THR HG2 H 1.175 0.000 . 183 107 18 THR CA C 61.474 0.000 . 184 107 18 THR CB C 69.757 0.000 . 185 107 18 THR CG2 C 21.472 0.000 . 186 107 18 THR N N 115.350 0.000 . 187 108 19 ASN H H 8.544 0.000 . 188 108 19 ASN HA H 4.706 0.000 . 189 108 19 ASN HB2 H 2.820 0.000 . 190 108 19 ASN HB3 H 2.752 0.000 . 191 108 19 ASN HD21 H 6.943 0.000 . 192 108 19 ASN HD22 H 7.582 0.000 . 193 108 19 ASN CA C 52.973 0.000 . 194 108 19 ASN CB C 38.669 0.002 . 195 108 19 ASN N N 121.419 0.000 . 196 108 19 ASN ND2 N 112.773 0.000 . 197 109 20 MET H H 8.353 0.000 . 198 109 20 MET HA H 4.430 0.000 . 199 109 20 MET HB2 H 1.951 0.000 . 200 109 20 MET HB3 H 2.055 0.000 . 201 109 20 MET HG2 H 2.481 0.000 . 202 109 20 MET HG3 H 2.556 0.000 . 203 109 20 MET HE H 2.025 0.000 . 204 109 20 MET CA C 55.421 0.000 . 205 109 20 MET CB C 32.915 0.010 . 206 109 20 MET CG C 31.895 0.003 . 207 109 20 MET CE C 17.615 0.000 . 208 109 20 MET N N 121.377 0.000 . 209 110 21 LYS H H 8.297 0.000 . 210 110 21 LYS HA H 4.227 0.000 . 211 110 21 LYS HB2 H 1.712 0.000 . 212 110 21 LYS HB3 H 1.719 0.000 . 213 110 21 LYS HG2 H 1.339 0.000 . 214 110 21 LYS HG3 H 1.395 0.000 . 215 110 21 LYS HD2 H 1.622 0.000 . 216 110 21 LYS HD3 H 1.625 0.000 . 217 110 21 LYS HE2 H 2.948 0.000 . 218 110 21 LYS HE3 H 2.905 0.000 . 219 110 21 LYS CA C 56.381 0.000 . 220 110 21 LYS CB C 32.843 0.002 . 221 110 21 LYS CG C 24.807 0.012 . 222 110 21 LYS CD C 29.023 0.029 . 223 110 21 LYS CE C 41.828 0.003 . 224 110 21 LYS N N 122.328 0.000 . 225 111 22 HIS H H 8.505 0.000 . 226 111 22 HIS HA H 4.649 0.000 . 227 111 22 HIS HB2 H 3.165 0.000 . 228 111 22 HIS HB3 H 3.108 0.000 . 229 111 22 HIS HD2 H 7.178 0.000 . 230 111 22 HIS HE1 H 8.469 0.000 . 231 111 22 HIS CA C 55.302 0.000 . 232 111 22 HIS CB C 29.544 0.006 . 233 111 22 HIS CD2 C 119.972 0.000 . 234 111 22 HIS CE1 C 136.459 0.000 . 235 111 22 HIS N N 119.987 0.000 . 236 112 23 MET H H 8.420 0.000 . 237 112 23 MET HA H 4.456 0.000 . 238 112 23 MET HB2 H 2.054 0.000 . 239 112 23 MET HB3 H 1.951 0.000 . 240 112 23 MET HG2 H 2.558 0.000 . 241 112 23 MET HG3 H 2.481 0.000 . 242 112 23 MET HE H 2.001 0.000 . 243 112 23 MET CA C 55.114 0.000 . 244 112 23 MET CB C 32.837 0.033 . 245 112 23 MET CG C 31.928 0.009 . 246 112 23 MET CE C 17.140 0.000 . 247 112 23 MET N N 122.807 0.000 . 248 113 24 ALA H H 8.422 0.000 . 249 113 24 ALA HA H 4.280 0.000 . 250 113 24 ALA HB H 1.368 0.000 . 251 113 24 ALA CA C 52.541 0.000 . 252 113 24 ALA CB C 19.237 0.000 . 253 113 24 ALA N N 125.865 0.000 . 254 114 25 GLY H H 8.381 0.000 . 255 114 25 GLY HA2 H 3.917 0.000 . 256 114 25 GLY HA3 H 3.919 0.000 . 257 114 25 GLY CA C 44.992 0.002 . 258 114 25 GLY N N 108.528 0.000 . 259 115 26 ALA H H 8.048 0.000 . 260 115 26 ALA HA H 4.260 0.000 . 261 115 26 ALA HB H 1.344 0.000 . 262 115 26 ALA CA C 52.420 0.000 . 263 115 26 ALA CB C 19.461 0.000 . 264 115 26 ALA N N 123.559 0.000 . 265 116 27 ALA H H 8.191 0.000 . 266 116 27 ALA HA H 4.261 0.000 . 267 116 27 ALA HB H 1.355 0.000 . 268 116 27 ALA CA C 52.371 0.000 . 269 116 27 ALA CB C 19.175 0.000 . 270 116 27 ALA N N 123.360 0.000 . 271 117 28 ALA H H 8.283 0.000 . 272 117 28 ALA HA H 4.266 0.000 . 273 117 28 ALA HB H 1.368 0.000 . 274 117 28 ALA CA C 52.351 0.000 . 275 117 28 ALA CB C 19.208 0.000 . 276 117 28 ALA N N 123.298 0.000 . 277 118 29 ALA H H 8.223 0.000 . 278 118 29 ALA HA H 4.272 0.000 . 279 118 29 ALA HB H 1.359 0.000 . 280 118 29 ALA CA C 52.535 0.000 . 281 118 29 ALA CB C 19.250 0.000 . 282 118 29 ALA N N 123.333 0.000 . 283 119 30 GLY H H 8.279 0.000 . 284 119 30 GLY HA2 H 4.024 0.000 . 285 119 30 GLY HA3 H 3.740 0.000 . 286 119 30 GLY CA C 44.983 0.014 . 287 119 30 GLY N N 107.947 0.000 . 288 120 31 ALA H H 8.150 0.000 . 289 120 31 ALA HA H 4.341 0.000 . 290 120 31 ALA HB H 1.343 0.000 . 291 120 31 ALA CA C 52.199 0.000 . 292 120 31 ALA CB C 19.441 0.000 . 293 120 31 ALA N N 123.876 0.000 . 294 121 32 VAL H H 8.121 0.000 . 295 121 32 VAL HA H 4.116 0.000 . 296 121 32 VAL HB H 2.009 0.000 . 297 121 32 VAL HG1 H 0.852 0.000 . 298 121 32 VAL HG2 H 0.894 0.000 . 299 121 32 VAL CA C 62.108 0.000 . 300 121 32 VAL CB C 32.612 0.000 . 301 121 32 VAL CG1 C 21.165 0.000 . 302 121 32 VAL CG2 C 20.603 0.000 . 303 121 32 VAL N N 119.697 0.000 . 304 122 33 VAL H H 8.271 0.000 . 305 122 33 VAL HA H 4.075 0.000 . 306 122 33 VAL HB H 2.009 0.000 . 307 122 33 VAL HG1 H 0.895 0.000 . 308 122 33 VAL HG2 H 0.852 0.000 . 309 122 33 VAL CA C 62.405 0.000 . 310 122 33 VAL CB C 32.676 0.000 . 311 122 33 VAL CG1 C 20.619 0.000 . 312 122 33 VAL CG2 C 21.177 0.000 . 313 122 33 VAL N N 124.763 0.000 . 314 123 34 GLY H H 8.532 0.000 . 315 123 34 GLY HA2 H 3.920 0.000 . 316 123 34 GLY HA3 H 3.918 0.000 . 317 123 34 GLY CA C 45.145 0.019 . 318 123 34 GLY N N 113.187 0.000 . 319 124 35 GLY H H 8.252 0.000 . 320 124 35 GLY HA2 H 3.917 0.000 . 321 124 35 GLY HA3 H 3.912 0.000 . 322 124 35 GLY CA C 45.120 0.008 . 323 124 35 GLY N N 108.430 0.000 . 324 125 36 LEU H H 8.240 0.000 . 325 125 36 LEU HA H 4.336 0.000 . 326 125 36 LEU HB2 H 1.594 0.000 . 327 125 36 LEU HB3 H 1.515 0.000 . 328 125 36 LEU HG H 1.458 0.000 . 329 125 36 LEU HD1 H 0.626 0.000 . 330 125 36 LEU HD2 H 0.512 0.000 . 331 125 36 LEU CA C 54.755 0.000 . 332 125 36 LEU CB C 42.431 0.015 . 333 125 36 LEU CG C 26.854 0.000 . 334 125 36 LEU CD1 C 24.596 0.000 . 335 125 36 LEU CD2 C 23.406 0.000 . 336 125 36 LEU N N 121.689 0.000 . 337 126 37 GLY H H 8.502 0.000 . 338 126 37 GLY HA2 H 3.914 0.000 . 339 126 37 GLY HA3 H 3.828 0.000 . 340 126 37 GLY CA C 46.120 0.000 . 341 126 37 GLY N N 109.777 0.000 . 342 127 38 GLY H H 8.357 0.000 . 343 127 38 GLY HA2 H 3.775 0.000 . 344 127 38 GLY HA3 H 3.921 0.000 . 345 127 38 GLY CA C 45.136 0.024 . 346 127 38 GLY N N 109.354 0.000 . 347 128 39 TYR H H 7.721 0.000 . 348 128 39 TYR HA H 4.493 0.000 . 349 128 39 TYR HB2 H 2.824 0.000 . 350 128 39 TYR HB3 H 2.821 0.000 . 351 128 39 TYR HD1 H 6.775 0.000 . 352 128 39 TYR HD2 H 6.775 0.000 . 353 128 39 TYR HE1 H 6.646 0.000 . 354 128 39 TYR HE2 H 6.649 0.000 . 355 128 39 TYR CA C 57.500 0.000 . 356 128 39 TYR CB C 40.269 0.002 . 357 128 39 TYR CD1 C 132.778 0.000 . 358 128 39 TYR CD2 C 132.778 0.000 . 359 128 39 TYR CE1 C 118.291 0.000 . 360 128 39 TYR CE2 C 118.306 0.000 . 361 128 39 TYR N N 117.586 0.000 . 362 129 40 MET H H 8.983 0.000 . 363 129 40 MET HA H 4.508 0.000 . 364 129 40 MET HB2 H 1.571 0.000 . 365 129 40 MET HB3 H 0.904 0.000 . 366 129 40 MET HG2 H 2.216 0.000 . 367 129 40 MET HG3 H 2.213 0.000 . 368 129 40 MET HE H 1.557 0.000 . 369 129 40 MET CA C 53.477 0.000 . 370 129 40 MET CB C 34.663 0.002 . 371 129 40 MET CG C 32.184 0.008 . 372 129 40 MET CE C 17.124 0.000 . 373 129 40 MET N N 120.835 0.000 . 374 130 41 LEU H H 8.046 0.000 . 375 130 41 LEU HA H 4.485 0.000 . 376 130 41 LEU HB2 H 1.593 0.000 . 377 130 41 LEU HB3 H 0.974 0.000 . 378 130 41 LEU HG H 1.370 0.000 . 379 130 41 LEU HD1 H 0.601 0.000 . 380 130 41 LEU HD2 H -0.018 0.000 . 381 130 41 LEU CA C 53.376 0.000 . 382 130 41 LEU CB C 43.579 0.000 . 383 130 41 LEU CG C 25.991 0.000 . 384 130 41 LEU CD1 C 25.680 0.000 . 385 130 41 LEU CD2 C 21.634 0.000 . 386 130 41 LEU N N 121.438 0.000 . 387 131 42 GLY H H 9.357 0.000 . 388 131 42 GLY HA2 H 4.404 0.000 . 389 131 42 GLY HA3 H 3.978 0.000 . 390 131 42 GLY CA C 44.680 0.002 . 391 131 42 GLY N N 115.014 0.000 . 392 132 43 SER H H 8.375 0.000 . 393 132 43 SER HA H 4.401 0.000 . 394 132 43 SER HB2 H 3.895 0.000 . 395 132 43 SER HB3 H 3.961 0.000 . 396 132 43 SER CA C 58.380 0.000 . 397 132 43 SER CB C 63.949 0.016 . 398 132 43 SER N N 113.637 0.000 . 399 133 44 ALA H H 8.758 0.000 . 400 133 44 ALA HA H 4.432 0.000 . 401 133 44 ALA HB H 1.274 0.000 . 402 133 44 ALA CA C 52.978 0.000 . 403 133 44 ALA CB C 18.414 0.000 . 404 133 44 ALA N N 125.531 0.000 . 405 134 45 MET H H 8.707 0.000 . 406 134 45 MET HA H 4.808 0.000 . 407 134 45 MET HB2 H 1.977 0.000 . 408 134 45 MET HB3 H 2.027 0.000 . 409 134 45 MET HG2 H 2.418 0.000 . 410 134 45 MET HG3 H 2.468 0.000 . 411 134 45 MET HE H 2.077 0.000 . 412 134 45 MET CA C 54.092 0.000 . 413 134 45 MET CB C 36.719 0.019 . 414 134 45 MET CG C 31.144 0.004 . 415 134 45 MET CE C 16.894 0.000 . 416 134 45 MET N N 120.794 0.000 . 417 135 46 SER H H 8.425 0.000 . 418 135 46 SER HA H 4.366 0.000 . 419 135 46 SER HB2 H 3.731 0.000 . 420 135 46 SER HB3 H 3.810 0.000 . 421 135 46 SER CA C 58.392 0.000 . 422 135 46 SER CB C 62.963 0.001 . 423 135 46 SER N N 116.267 0.000 . 424 136 47 ARG H H 8.638 0.000 . 425 136 47 ARG HA H 4.338 0.000 . 426 136 47 ARG HB2 H 1.727 0.000 . 427 136 47 ARG HB3 H 1.785 0.000 . 428 136 47 ARG CA C 54.812 0.000 . 429 136 47 ARG CB C 29.454 0.011 . 430 136 47 ARG N N 126.511 0.000 . 431 138 49 ILE H H 8.632 0.000 . 432 138 49 ILE HA H 4.147 0.000 . 433 138 49 ILE HB H 1.903 0.000 . 434 138 49 ILE HG12 H 1.378 0.000 . 435 138 49 ILE HG13 H 1.581 0.000 . 436 138 49 ILE HG2 H 0.732 0.000 . 437 138 49 ILE HD1 H 0.893 0.000 . 438 138 49 ILE CA C 60.842 0.000 . 439 138 49 ILE CB C 36.085 0.000 . 440 138 49 ILE CG1 C 27.181 0.010 . 441 138 49 ILE CG2 C 17.393 0.000 . 442 138 49 ILE CD1 C 11.280 0.000 . 443 138 49 ILE N N 122.531 0.000 . 444 139 50 ILE H H 6.464 0.000 . 445 139 50 ILE HA H 3.917 0.000 . 446 139 50 ILE HB H 0.878 0.000 . 447 139 50 ILE HG12 H 0.770 0.000 . 448 139 50 ILE HG13 H 0.887 0.000 . 449 139 50 ILE HG2 H -0.036 0.000 . 450 139 50 ILE HD1 H 0.463 0.000 . 451 139 50 ILE CA C 58.650 0.000 . 452 139 50 ILE CB C 39.300 0.000 . 453 139 50 ILE CG1 C 26.582 0.003 . 454 139 50 ILE CG2 C 17.181 0.000 . 455 139 50 ILE CD1 C 12.500 0.000 . 456 139 50 ILE N N 126.751 0.000 . 457 140 51 HIS H H 8.235 0.000 . 458 140 51 HIS HA H 4.912 0.000 . 459 140 51 HIS HB2 H 3.288 0.000 . 460 140 51 HIS HB3 H 2.943 0.000 . 461 140 51 HIS HD2 H 7.218 0.000 . 462 140 51 HIS CA C 54.043 0.000 . 463 140 51 HIS CB C 29.406 0.007 . 464 140 51 HIS CD2 C 120.146 0.000 . 465 140 51 HIS N N 121.974 0.000 . 466 141 52 PHE H H 10.182 0.000 . 467 141 52 PHE HA H 4.349 0.000 . 468 141 52 PHE HB2 H 3.327 0.000 . 469 141 52 PHE HB3 H 2.805 0.000 . 470 141 52 PHE HD1 H 6.860 0.000 . 471 141 52 PHE HD2 H 6.868 0.000 . 472 141 52 PHE HE1 H 7.310 0.000 . 473 141 52 PHE HE2 H 7.309 0.000 . 474 141 52 PHE HZ H 6.681 0.000 . 475 141 52 PHE CA C 59.262 0.000 . 476 141 52 PHE CB C 41.395 0.026 . 477 141 52 PHE CD1 C 131.208 0.000 . 478 141 52 PHE CD2 C 131.192 0.000 . 479 141 52 PHE CE1 C 131.984 0.000 . 480 141 52 PHE CE2 C 131.942 0.000 . 481 141 52 PHE CZ C 129.245 0.000 . 482 141 52 PHE N N 124.128 0.000 . 483 142 53 GLY H H 8.992 0.000 . 484 142 53 GLY HA2 H 4.141 0.000 . 485 142 53 GLY HA3 H 3.805 0.000 . 486 142 53 GLY CA C 45.497 0.006 . 487 142 53 GLY N N 108.454 0.000 . 488 143 54 SER H H 7.312 0.000 . 489 143 54 SER HA H 4.773 0.000 . 490 143 54 SER HB2 H 4.114 0.000 . 491 143 54 SER HB3 H 3.914 0.000 . 492 143 54 SER CA C 56.622 0.000 . 493 143 54 SER CB C 65.940 0.016 . 494 143 54 SER N N 111.773 0.000 . 495 144 55 ASP H H 9.034 0.000 . 496 144 55 ASP HA H 4.500 0.000 . 497 144 55 ASP HB2 H 2.742 0.000 . 498 144 55 ASP HB3 H 2.742 0.000 . 499 144 55 ASP CA C 57.444 0.000 . 500 144 55 ASP CB C 40.663 0.000 . 501 144 55 ASP N N 124.465 0.000 . 502 145 56 TYR H H 8.561 0.000 . 503 145 56 TYR HA H 4.189 0.000 . 504 145 56 TYR HB2 H 2.838 0.000 . 505 145 56 TYR HB3 H 2.843 0.000 . 506 145 56 TYR HD1 H 7.038 0.000 . 507 145 56 TYR HD2 H 7.038 0.000 . 508 145 56 TYR HE1 H 6.830 0.000 . 509 145 56 TYR HE2 H 6.830 0.000 . 510 145 56 TYR CA C 61.378 0.000 . 511 145 56 TYR CB C 37.977 0.002 . 512 145 56 TYR CD1 C 133.331 0.000 . 513 145 56 TYR CD2 C 133.313 0.000 . 514 145 56 TYR CE1 C 118.521 0.000 . 515 145 56 TYR CE2 C 118.521 0.000 . 516 145 56 TYR N N 118.936 0.000 . 517 146 57 GLU H H 7.722 0.000 . 518 146 57 GLU HA H 3.558 0.000 . 519 146 57 GLU HB2 H 1.551 0.000 . 520 146 57 GLU HB3 H 1.972 0.000 . 521 146 57 GLU HG2 H 2.233 0.000 . 522 146 57 GLU HG3 H 1.885 0.000 . 523 146 57 GLU CA C 59.916 0.000 . 524 146 57 GLU CB C 30.172 0.003 . 525 146 57 GLU CG C 38.084 0.004 . 526 146 57 GLU N N 118.929 0.000 . 527 147 58 ASP H H 8.184 0.000 . 528 147 58 ASP HA H 4.653 0.000 . 529 147 58 ASP HB2 H 3.013 0.000 . 530 147 58 ASP HB3 H 2.869 0.000 . 531 147 58 ASP CA C 58.519 0.000 . 532 147 58 ASP CB C 40.303 0.011 . 533 147 58 ASP N N 119.730 0.000 . 534 148 59 ARG H H 8.208 0.000 . 535 148 59 ARG HA H 3.977 0.000 . 536 148 59 ARG HB2 H 1.908 0.000 . 537 148 59 ARG HB3 H 1.908 0.000 . 538 148 59 ARG HG2 H 1.731 0.000 . 539 148 59 ARG HG3 H 1.521 0.000 . 540 148 59 ARG HD2 H 3.190 0.000 . 541 148 59 ARG HD3 H 3.212 0.000 . 542 148 59 ARG CA C 59.347 0.000 . 543 148 59 ARG CB C 29.850 0.000 . 544 148 59 ARG CG C 27.765 0.018 . 545 148 59 ARG CD C 43.459 0.003 . 546 148 59 ARG N N 120.365 0.000 . 547 149 60 TYR H H 8.317 0.000 . 548 149 60 TYR HA H 3.814 0.000 . 549 149 60 TYR HB2 H 2.839 0.000 . 550 149 60 TYR HB3 H 2.599 0.000 . 551 149 60 TYR HD1 H 6.916 0.000 . 552 149 60 TYR HD2 H 6.916 0.000 . 553 149 60 TYR CA C 62.175 0.000 . 554 149 60 TYR CB C 38.063 0.032 . 555 149 60 TYR CD1 C 133.433 0.000 . 556 149 60 TYR CD2 C 133.424 0.000 . 557 149 60 TYR N N 121.302 0.000 . 558 150 61 TYR H H 8.962 0.000 . 559 150 61 TYR HA H 4.119 0.000 . 560 150 61 TYR HB2 H 3.246 0.000 . 561 150 61 TYR HB3 H 3.553 0.000 . 562 150 61 TYR HD1 H 7.530 0.000 . 563 150 61 TYR HD2 H 7.530 0.000 . 564 150 61 TYR HE1 H 6.985 0.000 . 565 150 61 TYR HE2 H 6.985 0.000 . 566 150 61 TYR CA C 62.980 0.000 . 567 150 61 TYR CB C 38.173 0.090 . 568 150 61 TYR CD1 C 133.526 0.000 . 569 150 61 TYR CD2 C 133.511 0.000 . 570 150 61 TYR CE1 C 118.230 0.000 . 571 150 61 TYR CE2 C 118.230 0.000 . 572 150 61 TYR N N 120.622 0.000 . 573 151 62 ARG H H 7.973 0.000 . 574 151 62 ARG HA H 3.934 0.000 . 575 151 62 ARG HB2 H 1.884 0.000 . 576 151 62 ARG HB3 H 2.067 0.000 . 577 151 62 ARG HG2 H 1.740 0.000 . 578 151 62 ARG HG3 H 2.028 0.000 . 579 151 62 ARG HD2 H 3.276 0.000 . 580 151 62 ARG HD3 H 3.370 0.000 . 581 151 62 ARG CA C 59.924 0.000 . 582 151 62 ARG CB C 29.955 0.009 . 583 151 62 ARG CG C 28.219 0.029 . 584 151 62 ARG CD C 43.303 0.001 . 585 151 62 ARG N N 117.968 0.000 . 586 152 63 GLU H H 8.061 0.000 . 587 152 63 GLU HA H 4.053 0.000 . 588 152 63 GLU HB2 H 1.861 0.000 . 589 152 63 GLU HB3 H 1.863 0.000 . 590 152 63 GLU HG2 H 2.432 0.000 . 591 152 63 GLU HG3 H 2.196 0.000 . 592 152 63 GLU CA C 57.890 0.000 . 593 152 63 GLU CB C 29.980 0.004 . 594 152 63 GLU CG C 36.558 0.044 . 595 152 63 GLU N N 116.620 0.000 . 596 153 64 ASN H H 7.595 0.000 . 597 153 64 ASN HA H 4.336 0.000 . 598 153 64 ASN HB2 H 2.154 0.000 . 599 153 64 ASN HB3 H 2.154 0.000 . 600 153 64 ASN HD21 H 6.566 0.000 . 601 153 64 ASN HD22 H 6.723 0.000 . 602 153 64 ASN CA C 54.842 0.000 . 603 153 64 ASN CB C 41.173 0.000 . 604 153 64 ASN N N 114.706 0.000 . 605 153 64 ASN ND2 N 117.085 0.000 . 606 154 65 MET H H 8.092 0.000 . 607 154 65 MET HA H 3.417 0.000 . 608 154 65 MET HB2 H 1.626 0.000 . 609 154 65 MET HB3 H 1.626 0.000 . 610 154 65 MET HG2 H 1.326 0.000 . 611 154 65 MET HG3 H 1.626 0.000 . 612 154 65 MET HE H 2.153 0.000 . 613 154 65 MET CA C 59.172 0.000 . 614 154 65 MET CB C 30.168 0.000 . 615 154 65 MET CG C 30.242 0.002 . 616 154 65 MET CE C 17.644 0.000 . 617 154 65 MET N N 119.646 0.000 . 618 155 66 HIS H H 8.052 0.000 . 619 155 66 HIS HA H 4.217 0.000 . 620 155 66 HIS HB2 H 3.243 0.000 . 621 155 66 HIS HB3 H 2.981 0.000 . 622 155 66 HIS HD2 H 7.180 0.000 . 623 155 66 HIS HE1 H 8.424 0.000 . 624 155 66 HIS CA C 57.626 0.000 . 625 155 66 HIS CB C 28.081 0.021 . 626 155 66 HIS CD2 C 119.873 0.000 . 627 155 66 HIS CE1 C 136.714 0.000 . 628 155 66 HIS N N 115.192 0.000 . 629 156 67 ARG H H 7.585 0.000 . 630 156 67 ARG HA H 4.123 0.000 . 631 156 67 ARG HB2 H 2.157 0.000 . 632 156 67 ARG HB3 H 1.366 0.000 . 633 156 67 ARG HG2 H 1.361 0.000 . 634 156 67 ARG HG3 H 0.242 0.000 . 635 156 67 ARG HD2 H 3.244 0.000 . 636 156 67 ARG HD3 H 3.088 0.000 . 637 156 67 ARG CA C 56.132 0.000 . 638 156 67 ARG CB C 30.449 0.026 . 639 156 67 ARG CG C 27.207 0.030 . 640 156 67 ARG CD C 44.050 0.006 . 641 156 67 ARG N N 118.315 0.000 . 642 157 68 TYR H H 7.468 0.000 . 643 157 68 TYR HA H 4.987 0.000 . 644 157 68 TYR HB2 H 3.094 0.000 . 645 157 68 TYR HB3 H 3.094 0.000 . 646 157 68 TYR HD1 H 6.862 0.000 . 647 157 68 TYR HD2 H 6.860 0.000 . 648 157 68 TYR HE1 H 6.531 0.000 . 649 157 68 TYR HE2 H 6.531 0.000 . 650 157 68 TYR CA C 52.676 0.000 . 651 157 68 TYR CB C 34.851 0.000 . 652 157 68 TYR CD1 C 131.164 0.000 . 653 157 68 TYR CD2 C 131.226 0.000 . 654 157 68 TYR CE1 C 117.252 0.000 . 655 157 68 TYR CE2 C 117.253 0.000 . 656 157 68 TYR N N 121.098 0.000 . 657 158 69 PRO HA H 4.325 0.000 . 658 158 69 PRO HB2 H 2.157 0.000 . 659 158 69 PRO HB3 H 1.609 0.000 . 660 158 69 PRO HG2 H 1.195 0.000 . 661 158 69 PRO HG3 H 1.182 0.000 . 662 158 69 PRO HD2 H 3.117 0.000 . 663 158 69 PRO HD3 H 3.018 0.000 . 664 158 69 PRO CA C 63.640 0.000 . 665 158 69 PRO CB C 32.063 0.029 . 666 158 69 PRO CG C 27.240 0.002 . 667 158 69 PRO CD C 49.812 0.002 . 668 159 70 ASN H H 8.597 0.000 . 669 159 70 ASN HA H 4.684 0.000 . 670 159 70 ASN HB2 H 2.456 0.000 . 671 159 70 ASN HB3 H 3.592 0.000 . 672 159 70 ASN HD21 H 7.465 0.000 . 673 159 70 ASN HD22 H 6.770 0.000 . 674 159 70 ASN CA C 52.041 0.000 . 675 159 70 ASN CB C 38.445 0.032 . 676 159 70 ASN N N 116.409 0.000 . 677 159 70 ASN ND2 N 109.203 0.000 . 678 160 71 GLN H H 7.289 0.000 . 679 160 71 GLN HA H 4.508 0.000 . 680 160 71 GLN HB2 H 2.054 0.000 . 681 160 71 GLN HB3 H 1.952 0.000 . 682 160 71 GLN HG2 H 2.177 0.000 . 683 160 71 GLN HG3 H 2.017 0.000 . 684 160 71 GLN HE21 H 6.965 0.000 . 685 160 71 GLN HE22 H 7.900 0.000 . 686 160 71 GLN CA C 54.127 0.000 . 687 160 71 GLN CB C 32.822 0.000 . 688 160 71 GLN CG C 34.074 0.014 . 689 160 71 GLN N N 114.031 0.000 . 690 160 71 GLN NE2 N 112.540 0.002 . 691 161 72 VAL H H 8.517 0.000 . 692 161 72 VAL HA H 4.925 0.000 . 693 161 72 VAL HB H 2.625 0.000 . 694 161 72 VAL HG1 H 0.930 0.000 . 695 161 72 VAL HG2 H 0.763 0.000 . 696 161 72 VAL CA C 58.715 0.000 . 697 161 72 VAL CB C 33.798 0.000 . 698 161 72 VAL CG1 C 23.481 0.000 . 699 161 72 VAL CG2 C 18.501 0.000 . 700 161 72 VAL N N 112.803 0.000 . 701 162 73 TYR H H 8.458 0.000 . 702 162 73 TYR HA H 5.516 0.000 . 703 162 73 TYR HB2 H 2.548 0.000 . 704 162 73 TYR HB3 H 2.551 0.000 . 705 162 73 TYR HD1 H 6.875 0.000 . 706 162 73 TYR HD2 H 6.876 0.000 . 707 162 73 TYR HE1 H 6.830 0.000 . 708 162 73 TYR HE2 H 6.830 0.000 . 709 162 73 TYR CA C 57.094 0.000 . 710 162 73 TYR CB C 41.922 0.012 . 711 162 73 TYR CD1 C 132.978 0.000 . 712 162 73 TYR CD2 C 132.983 0.000 . 713 162 73 TYR CE1 C 118.521 0.000 . 714 162 73 TYR CE2 C 118.521 0.000 . 715 162 73 TYR N N 121.379 0.000 . 716 163 74 TYR H H 8.597 0.000 . 717 163 74 TYR HA H 4.757 0.000 . 718 163 74 TYR HB2 H 2.827 0.000 . 719 163 74 TYR HB3 H 2.829 0.000 . 720 163 74 TYR HD1 H 6.963 0.002 . 721 163 74 TYR HE1 H 6.442 0.000 . 722 163 74 TYR HE2 H 6.443 0.000 . 723 163 74 TYR CA C 55.379 0.000 . 724 163 74 TYR CB C 40.122 0.007 . 725 163 74 TYR CD1 C 133.784 0.008 . 726 163 74 TYR CE1 C 117.683 0.000 . 727 163 74 TYR CE2 C 117.692 0.000 . 728 163 74 TYR N N 111.047 0.000 . 729 165 76 PRO HA H 4.494 0.000 . 730 165 76 PRO HB2 H 1.888 0.000 . 731 165 76 PRO HB3 H 2.457 0.000 . 732 165 76 PRO HG2 H 1.857 0.000 . 733 165 76 PRO HG3 H 1.804 0.000 . 734 165 76 PRO HD2 H 3.587 0.000 . 735 165 76 PRO HD3 H 3.483 0.000 . 736 165 76 PRO CA C 62.992 0.000 . 737 165 76 PRO CB C 32.417 0.020 . 738 165 76 PRO CG C 28.754 0.001 . 739 165 76 PRO CD C 50.162 0.007 . 740 166 77 MET H H 8.893 0.000 . 741 166 77 MET HA H 4.437 0.000 . 742 166 77 MET HB2 H 1.954 0.000 . 743 166 77 MET HB3 H 1.952 0.000 . 744 166 77 MET HG2 H 2.368 0.000 . 745 166 77 MET HG3 H 2.368 0.000 . 746 166 77 MET HE H 2.098 0.000 . 747 166 77 MET CA C 57.088 0.000 . 748 166 77 MET CB C 32.632 0.002 . 749 166 77 MET CG C 29.516 0.003 . 750 166 77 MET CE C 16.673 0.000 . 751 166 77 MET N N 120.874 0.000 . 752 167 78 ASP H H 8.209 0.000 . 753 167 78 ASP N N 119.981 0.000 . 754 170 81 SER H H 8.566 0.000 . 755 170 81 SER N N 116.536 0.000 . 756 172 83 GLN H H 8.671 0.000 . 757 172 83 GLN N N 120.364 0.000 . 758 173 84 ASN H H 8.345 0.000 . 759 173 84 ASN N N 116.574 0.000 . 760 174 85 ASN H H 8.645 0.000 . 761 174 85 ASN N N 118.545 0.000 . 762 175 86 PHE HD1 H 7.302 0.000 . 763 175 86 PHE HD2 H 7.301 0.000 . 764 175 86 PHE HE1 H 7.633 0.000 . 765 175 86 PHE HE2 H 7.633 0.000 . 766 175 86 PHE HZ H 6.677 0.000 . 767 175 86 PHE CD1 C 133.058 0.000 . 768 175 86 PHE CD2 C 133.050 0.000 . 769 175 86 PHE CE1 C 131.758 0.000 . 770 175 86 PHE CE2 C 131.758 0.000 . 771 175 86 PHE CZ C 129.205 0.000 . 772 176 87 VAL H H 8.954 0.000 . 773 176 87 VAL HA H 3.552 0.000 . 774 176 87 VAL HB H 2.226 0.000 . 775 176 87 VAL HG1 H 1.081 0.000 . 776 176 87 VAL HG2 H 1.041 0.000 . 777 176 87 VAL CA C 67.750 0.000 . 778 176 87 VAL CB C 31.971 0.000 . 779 176 87 VAL CG1 C 24.664 0.000 . 780 176 87 VAL CG2 C 21.790 0.000 . 781 176 87 VAL N N 120.245 0.000 . 782 177 88 HIS H H 8.335 0.000 . 783 177 88 HIS N N 116.939 0.000 . 784 178 89 ASP H H 7.817 0.000 . 785 178 89 ASP HA H 4.524 0.000 . 786 178 89 ASP HB2 H 2.936 0.000 . 787 178 89 ASP HB3 H 2.845 0.000 . 788 178 89 ASP CA C 57.371 0.000 . 789 178 89 ASP CB C 41.224 0.018 . 790 178 89 ASP N N 118.709 0.000 . 791 179 90 CYS H H 8.039 0.000 . 792 179 90 CYS HA H 4.741 0.000 . 793 179 90 CYS HB2 H 3.018 0.000 . 794 179 90 CYS HB3 H 3.398 0.000 . 795 179 90 CYS CA C 58.599 0.000 . 796 179 90 CYS CB C 40.615 0.023 . 797 179 90 CYS N N 119.177 0.000 . 798 180 91 VAL H H 9.148 0.000 . 799 180 91 VAL HA H 3.593 0.000 . 800 180 91 VAL HB H 2.159 0.000 . 801 180 91 VAL HG1 H 1.081 0.000 . 802 180 91 VAL HG2 H 0.959 0.000 . 803 180 91 VAL CA C 66.595 0.000 . 804 180 91 VAL CB C 30.570 0.000 . 805 180 91 VAL CG1 C 23.436 0.000 . 806 180 91 VAL CG2 C 21.757 0.000 . 807 180 91 VAL N N 125.003 0.000 . 808 181 92 ASN H H 7.662 0.000 . 809 181 92 ASN HA H 4.309 0.000 . 810 181 92 ASN HB2 H 2.821 0.000 . 811 181 92 ASN HB3 H 2.753 0.000 . 812 181 92 ASN HD21 H 7.636 0.000 . 813 181 92 ASN HD22 H 6.774 0.000 . 814 181 92 ASN CA C 56.820 0.000 . 815 181 92 ASN CB C 38.760 0.003 . 816 181 92 ASN N N 116.193 0.000 . 817 181 92 ASN ND2 N 112.044 0.000 . 818 182 93 ILE H H 8.626 0.000 . 819 182 93 ILE HA H 3.775 0.000 . 820 182 93 ILE HB H 1.568 0.000 . 821 182 93 ILE HG12 H 0.839 0.000 . 822 182 93 ILE HG13 H 0.839 0.000 . 823 182 93 ILE HG2 H 0.281 0.000 . 824 182 93 ILE HD1 H 0.397 0.000 . 825 182 93 ILE CA C 62.083 0.000 . 826 182 93 ILE CB C 36.548 0.000 . 827 182 93 ILE CG1 C 27.581 0.000 . 828 182 93 ILE CG2 C 18.502 0.000 . 829 182 93 ILE CD1 C 11.373 0.000 . 830 182 93 ILE N N 118.613 0.000 . 831 183 94 THR H H 8.148 0.000 . 832 183 94 THR HA H 4.084 0.000 . 833 183 94 THR HB H 4.070 0.000 . 834 183 94 THR HG2 H 1.255 0.000 . 835 183 94 THR CA C 68.814 0.000 . 836 183 94 THR CB C 64.907 0.000 . 837 183 94 THR CG2 C 21.204 0.000 . 838 183 94 THR N N 118.313 0.000 . 839 184 95 ILE H H 8.479 0.000 . 840 184 95 ILE HA H 3.663 0.000 . 841 184 95 ILE HB H 2.053 0.000 . 842 184 95 ILE HG12 H 1.084 0.000 . 843 184 95 ILE HG13 H 1.084 0.000 . 844 184 95 ILE HG2 H 0.869 0.000 . 845 184 95 ILE HD1 H 0.773 0.000 . 846 184 95 ILE CA C 66.254 0.000 . 847 184 95 ILE CB C 36.958 0.000 . 848 184 95 ILE CG1 C 30.312 0.000 . 849 184 95 ILE CG2 C 16.661 0.000 . 850 184 95 ILE CD1 C 13.361 0.000 . 851 184 95 ILE N N 120.823 0.000 . 852 185 96 LYS H H 8.029 0.000 . 853 185 96 LYS HA H 4.058 0.000 . 854 185 96 LYS HB2 H 1.947 0.000 . 855 185 96 LYS HB3 H 1.946 0.000 . 856 185 96 LYS HG2 H 1.404 0.000 . 857 185 96 LYS HG3 H 1.403 0.000 . 858 185 96 LYS HD2 H 1.628 0.000 . 859 185 96 LYS HD3 H 1.692 0.000 . 860 185 96 LYS HE2 H 2.906 0.000 . 861 185 96 LYS HE3 H 2.944 0.000 . 862 185 96 LYS CA C 60.002 0.000 . 863 185 96 LYS CB C 32.171 0.000 . 864 185 96 LYS CG C 24.532 0.003 . 865 185 96 LYS CD C 29.075 0.013 . 866 185 96 LYS CE C 41.847 0.015 . 867 185 96 LYS N N 122.922 0.000 . 868 186 97 GLN H H 8.415 0.000 . 869 186 97 GLN HA H 4.048 0.000 . 870 186 97 GLN HB2 H 1.898 0.000 . 871 186 97 GLN HB3 H 1.899 0.000 . 872 186 97 GLN HG2 H 2.409 0.000 . 873 186 97 GLN HG3 H 2.512 0.000 . 874 186 97 GLN HE21 H 6.675 0.000 . 875 186 97 GLN HE22 H 6.795 0.000 . 876 186 97 GLN CA C 58.004 0.000 . 877 186 97 GLN CB C 27.961 0.000 . 878 186 97 GLN CG C 33.897 0.006 . 879 186 97 GLN N N 116.571 0.000 . 880 186 97 GLN NE2 N 109.930 0.001 . 881 187 98 HIS H H 8.248 0.000 . 882 187 98 HIS HA H 4.575 0.000 . 883 187 98 HIS HB2 H 3.361 0.000 . 884 187 98 HIS HB3 H 3.134 0.000 . 885 187 98 HIS HD2 H 6.928 0.000 . 886 187 98 HIS HE1 H 8.468 0.000 . 887 187 98 HIS CA C 59.525 0.000 . 888 187 98 HIS CB C 31.688 0.001 . 889 187 98 HIS CD2 C 118.199 0.000 . 890 187 98 HIS CE1 C 137.756 0.000 . 891 187 98 HIS N N 118.545 0.000 . 892 188 99 THR H H 8.304 0.000 . 893 188 99 THR HA H 4.122 0.000 . 894 188 99 THR HB H 4.452 0.000 . 895 188 99 THR HG2 H 1.292 0.000 . 896 188 99 THR CA C 65.010 0.000 . 897 188 99 THR CB C 68.735 0.000 . 898 188 99 THR CG2 C 21.655 0.000 . 899 188 99 THR N N 113.999 0.000 . 900 189 100 VAL H H 8.014 0.000 . 901 189 100 VAL HA H 3.904 0.000 . 902 189 100 VAL HB H 2.224 0.000 . 903 189 100 VAL HG1 H 1.049 0.000 . 904 189 100 VAL HG2 H 0.956 0.000 . 905 189 100 VAL CA C 65.779 0.000 . 906 189 100 VAL CB C 31.810 0.000 . 907 189 100 VAL CG1 C 21.953 0.000 . 908 189 100 VAL CG2 C 20.983 0.000 . 909 189 100 VAL N N 122.414 0.000 . 910 190 101 THR H H 8.086 0.000 . 911 190 101 THR HA H 4.191 0.000 . 912 190 101 THR HB H 4.307 0.000 . 913 190 101 THR HG2 H 1.320 0.000 . 914 190 101 THR CA C 64.407 0.000 . 915 190 101 THR CB C 69.003 0.000 . 916 190 101 THR CG2 C 21.341 0.000 . 917 190 101 THR N N 115.092 0.000 . 918 191 102 THR H H 7.998 0.000 . 919 191 102 THR HA H 4.191 0.000 . 920 191 102 THR HB H 4.348 0.000 . 921 191 102 THR HG2 H 1.291 0.000 . 922 191 102 THR CA C 64.407 0.000 . 923 191 102 THR CB C 68.940 0.000 . 924 191 102 THR CG2 C 21.718 0.000 . 925 191 102 THR N N 114.758 0.000 . 926 192 103 THR H H 8.192 0.000 . 927 192 103 THR HA H 4.191 0.000 . 928 192 103 THR HB H 4.349 0.000 . 929 192 103 THR HG2 H 1.291 0.000 . 930 192 103 THR CA C 64.407 0.000 . 931 192 103 THR CB C 69.008 0.000 . 932 192 103 THR CG2 C 21.561 0.000 . 933 192 103 THR N N 117.089 0.000 . 934 193 104 THR H H 7.882 0.000 . 935 193 104 THR HA H 4.365 0.000 . 936 193 104 THR HB H 4.347 0.000 . 937 193 104 THR HG2 H 1.322 0.000 . 938 193 104 THR CA C 65.033 0.000 . 939 193 104 THR CB C 69.087 0.000 . 940 193 104 THR CG2 C 21.450 0.000 . 941 193 104 THR N N 116.185 0.000 . 942 194 105 LYS H H 7.708 0.000 . 943 194 105 LYS HA H 4.331 0.000 . 944 194 105 LYS HB2 H 1.855 0.000 . 945 194 105 LYS HB3 H 1.858 0.000 . 946 194 105 LYS HG2 H 1.447 0.000 . 947 194 105 LYS HG3 H 1.497 0.000 . 948 194 105 LYS HD2 H 1.623 0.000 . 949 194 105 LYS HD3 H 1.694 0.000 . 950 194 105 LYS HE2 H 2.947 0.000 . 951 194 105 LYS HE3 H 2.905 0.000 . 952 194 105 LYS CA C 56.246 0.000 . 953 194 105 LYS CB C 32.855 0.000 . 954 194 105 LYS CG C 24.902 0.009 . 955 194 105 LYS CD C 29.026 0.037 . 956 194 105 LYS CE C 41.850 0.046 . 957 194 105 LYS N N 120.627 0.000 . 958 195 106 GLY H H 8.038 0.000 . 959 195 106 GLY HA2 H 4.143 0.000 . 960 195 106 GLY HA3 H 3.806 0.000 . 961 195 106 GLY CA C 45.561 0.018 . 962 195 106 GLY N N 108.555 0.000 . 963 196 107 GLU H H 7.613 0.000 . 964 196 107 GLU HA H 4.252 0.000 . 965 196 107 GLU HB2 H 1.575 0.000 . 966 196 107 GLU HB3 H 1.547 0.000 . 967 196 107 GLU HG2 H 2.051 0.000 . 968 196 107 GLU HG3 H 1.912 0.000 . 969 196 107 GLU CA C 55.563 0.000 . 970 196 107 GLU CB C 31.103 0.003 . 971 196 107 GLU CG C 35.929 0.018 . 972 196 107 GLU N N 120.005 0.000 . 973 197 108 ASN H H 8.441 0.000 . 974 197 108 ASN HA H 4.596 0.000 . 975 197 108 ASN HB2 H 2.632 0.000 . 976 197 108 ASN HB3 H 2.625 0.000 . 977 197 108 ASN HD21 H 7.529 0.000 . 978 197 108 ASN HD22 H 6.805 0.000 . 979 197 108 ASN CA C 52.674 0.000 . 980 197 108 ASN CB C 40.424 0.001 . 981 197 108 ASN N N 119.554 0.000 . 982 197 108 ASN ND2 N 113.112 0.001 . 983 198 109 PHE H H 8.670 0.000 . 984 198 109 PHE HA H 5.315 0.000 . 985 198 109 PHE HB2 H 3.144 0.000 . 986 198 109 PHE HB3 H 2.922 0.000 . 987 198 109 PHE HD1 H 7.326 0.000 . 988 198 109 PHE HD2 H 7.325 0.000 . 989 198 109 PHE HE1 H 7.442 0.000 . 990 198 109 PHE HE2 H 7.442 0.000 . 991 198 109 PHE HZ H 6.721 0.000 . 992 198 109 PHE CA C 56.547 0.000 . 993 198 109 PHE CB C 40.115 0.006 . 994 198 109 PHE CD1 C 131.470 0.000 . 995 198 109 PHE CD2 C 131.470 0.000 . 996 198 109 PHE CE1 C 130.082 0.000 . 997 198 109 PHE CE2 C 130.072 0.000 . 998 198 109 PHE CZ C 128.996 0.000 . 999 198 109 PHE N N 121.860 0.000 . 1000 199 110 THR H H 9.510 0.000 . 1001 199 110 THR HA H 4.618 0.000 . 1002 199 110 THR HB H 4.829 0.000 . 1003 199 110 THR HG2 H 1.424 0.000 . 1004 199 110 THR CA C 60.335 0.000 . 1005 199 110 THR CB C 72.034 0.000 . 1006 199 110 THR CG2 C 21.659 0.000 . 1007 199 110 THR N N 116.047 0.000 . 1008 200 111 GLU H H 9.115 0.000 . 1009 200 111 GLU HA H 4.061 0.000 . 1010 200 111 GLU HB2 H 2.060 0.000 . 1011 200 111 GLU HB3 H 2.114 0.000 . 1012 200 111 GLU HG2 H 2.396 0.000 . 1013 200 111 GLU HG3 H 2.320 0.000 . 1014 200 111 GLU CA C 59.976 0.000 . 1015 200 111 GLU CB C 29.016 0.005 . 1016 200 111 GLU CG C 36.208 0.010 . 1017 200 111 GLU N N 119.965 0.000 . 1018 201 112 THR H H 7.939 0.000 . 1019 201 112 THR HA H 3.792 0.000 . 1020 201 112 THR HB H 3.702 0.000 . 1021 201 112 THR HG2 H 0.698 0.000 . 1022 201 112 THR CA C 66.768 0.000 . 1023 201 112 THR CB C 68.581 0.000 . 1024 201 112 THR CG2 C 20.965 0.000 . 1025 201 112 THR N N 116.202 0.000 . 1026 202 113 ASP H H 7.490 0.000 . 1027 202 113 ASP HA H 4.595 0.000 . 1028 202 113 ASP HB2 H 2.584 0.000 . 1029 202 113 ASP HB3 H 2.632 0.000 . 1030 202 113 ASP CA C 57.868 0.000 . 1031 202 113 ASP CB C 40.887 0.003 . 1032 202 113 ASP N N 120.114 0.000 . 1033 203 114 VAL H H 8.217 0.000 . 1034 203 114 VAL HA H 3.273 0.000 . 1035 203 114 VAL HB H 2.091 0.000 . 1036 203 114 VAL HG1 H 0.882 0.000 . 1037 203 114 VAL HG2 H 0.962 0.000 . 1038 203 114 VAL CA C 67.791 0.000 . 1039 203 114 VAL CB C 31.504 0.000 . 1040 203 114 VAL CG1 C 21.128 0.000 . 1041 203 114 VAL CG2 C 22.679 0.000 . 1042 203 114 VAL N N 119.608 0.000 . 1043 204 115 LYS H H 7.726 0.000 . 1044 204 115 LYS HA H 4.076 0.000 . 1045 204 115 LYS HB2 H 1.975 0.000 . 1046 204 115 LYS HB3 H 1.973 0.000 . 1047 204 115 LYS HG2 H 1.449 0.000 . 1048 204 115 LYS HG3 H 1.500 0.000 . 1049 204 115 LYS HD2 H 1.691 0.000 . 1050 204 115 LYS HD3 H 1.627 0.000 . 1051 204 115 LYS HE2 H 2.944 0.000 . 1052 204 115 LYS HE3 H 2.905 0.000 . 1053 204 115 LYS CA C 59.213 0.000 . 1054 204 115 LYS CB C 31.879 0.003 . 1055 204 115 LYS CG C 24.852 0.007 . 1056 204 115 LYS CD C 28.919 0.024 . 1057 204 115 LYS CE C 41.812 0.015 . 1058 204 115 LYS N N 119.126 0.000 . 1059 205 116 MET H H 8.207 0.000 . 1060 205 116 MET HA H 4.060 0.000 . 1061 205 116 MET HB2 H 1.888 0.000 . 1062 205 116 MET HB3 H 2.288 0.000 . 1063 205 116 MET HG2 H 1.628 0.000 . 1064 205 116 MET HG3 H 1.628 0.000 . 1065 205 116 MET HE H 1.490 0.000 . 1066 205 116 MET CA C 60.048 0.000 . 1067 205 116 MET CB C 32.177 0.005 . 1068 205 116 MET CG C 32.456 0.000 . 1069 205 116 MET CE C 18.192 0.000 . 1070 205 116 MET N N 118.701 0.000 . 1071 206 117 MET H H 8.735 0.000 . 1072 206 117 MET HA H 3.558 0.000 . 1073 206 117 MET HB2 H 1.970 0.000 . 1074 206 117 MET HB3 H 1.970 0.000 . 1075 206 117 MET HG2 H 1.591 0.000 . 1076 206 117 MET HG3 H 1.591 0.000 . 1077 206 117 MET HE H 1.306 0.000 . 1078 206 117 MET CA C 59.916 0.000 . 1079 206 117 MET CB C 33.761 0.000 . 1080 206 117 MET CG C 33.773 0.013 . 1081 206 117 MET CE C 15.868 0.000 . 1082 206 117 MET N N 118.351 0.000 . 1083 207 118 GLU H H 8.447 0.000 . 1084 207 118 GLU HA H 3.657 0.000 . 1085 207 118 GLU HB2 H 2.002 0.000 . 1086 207 118 GLU HB3 H 2.203 0.000 . 1087 207 118 GLU HG2 H 2.528 0.000 . 1088 207 118 GLU HG3 H 2.528 0.000 . 1089 207 118 GLU CA C 60.747 0.000 . 1090 207 118 GLU CB C 28.713 0.014 . 1091 207 118 GLU CG C 36.126 0.000 . 1092 207 118 GLU N N 118.532 0.000 . 1093 208 119 ARG H H 7.294 0.000 . 1094 208 119 ARG HA H 4.228 0.000 . 1095 208 119 ARG HB2 H 2.093 0.000 . 1096 208 119 ARG HB3 H 1.948 0.000 . 1097 208 119 ARG HG2 H 1.752 0.000 . 1098 208 119 ARG HG3 H 1.837 0.000 . 1099 208 119 ARG HD2 H 3.244 0.000 . 1100 208 119 ARG HD3 H 3.149 0.000 . 1101 208 119 ARG CA C 58.432 0.000 . 1102 208 119 ARG CB C 30.006 0.008 . 1103 208 119 ARG CG C 26.829 0.020 . 1104 208 119 ARG CD C 42.495 0.002 . 1105 208 119 ARG N N 116.872 0.000 . 1106 209 120 VAL H H 8.273 0.000 . 1107 209 120 VAL HA H 3.831 0.000 . 1108 209 120 VAL HB H 2.324 0.000 . 1109 209 120 VAL HG1 H 1.308 0.000 . 1110 209 120 VAL HG2 H 1.278 0.000 . 1111 209 120 VAL CA C 65.845 0.000 . 1112 209 120 VAL CB C 32.171 0.000 . 1113 209 120 VAL CG1 C 23.999 0.000 . 1114 209 120 VAL CG2 C 20.829 0.000 . 1115 209 120 VAL N N 119.102 0.000 . 1116 210 121 VAL H H 9.080 0.000 . 1117 210 121 VAL HA H 3.661 0.000 . 1118 210 121 VAL HB H 2.271 0.000 . 1119 210 121 VAL HG1 H 1.226 0.000 . 1120 210 121 VAL HG2 H 0.959 0.000 . 1121 210 121 VAL CA C 66.372 0.000 . 1122 210 121 VAL CB C 31.067 0.000 . 1123 210 121 VAL CG1 C 24.842 0.000 . 1124 210 121 VAL CG2 C 21.757 0.000 . 1125 210 121 VAL N N 121.363 0.000 . 1126 211 122 GLU H H 8.042 0.000 . 1127 211 122 GLU HA H 3.597 0.000 . 1128 211 122 GLU HB2 H 2.060 0.000 . 1129 211 122 GLU HB3 H 2.113 0.000 . 1130 211 122 GLU HG2 H 1.573 0.000 . 1131 211 122 GLU HG3 H 2.118 0.000 . 1132 211 122 GLU CA C 61.151 0.000 . 1133 211 122 GLU CB C 29.059 0.048 . 1134 211 122 GLU CG C 36.302 0.184 . 1135 211 122 GLU N N 120.574 0.000 . 1136 212 123 GLN H H 7.162 0.000 . 1137 212 123 GLN HA H 3.976 0.000 . 1138 212 123 GLN HB2 H 2.219 0.000 . 1139 212 123 GLN HB3 H 2.136 0.000 . 1140 212 123 GLN HG2 H 2.441 0.000 . 1141 212 123 GLN HG3 H 2.468 0.000 . 1142 212 123 GLN HE21 H 7.547 0.000 . 1143 212 123 GLN HE22 H 6.872 0.000 . 1144 212 123 GLN CA C 59.190 0.000 . 1145 212 123 GLN CB C 27.935 0.008 . 1146 212 123 GLN CG C 33.678 0.003 . 1147 212 123 GLN N N 114.918 0.000 . 1148 212 123 GLN NE2 N 113.150 0.002 . 1149 213 124 MET H H 8.232 0.000 . 1150 213 124 MET HA H 4.155 0.000 . 1151 213 124 MET HB2 H 2.153 0.000 . 1152 213 124 MET HB3 H 2.154 0.000 . 1153 213 124 MET HG2 H 2.812 0.000 . 1154 213 124 MET HG3 H 2.812 0.000 . 1155 213 124 MET HE H 1.882 0.000 . 1156 213 124 MET CA C 59.969 0.000 . 1157 213 124 MET CB C 34.369 0.002 . 1158 213 124 MET CG C 32.317 0.000 . 1159 213 124 MET CE C 16.550 0.000 . 1160 213 124 MET N N 119.434 0.000 . 1161 214 125 CYS H H 9.220 0.000 . 1162 214 125 CYS HA H 4.414 0.000 . 1163 214 125 CYS HB2 H 3.535 0.000 . 1164 214 125 CYS HB3 H 3.535 0.000 . 1165 214 125 CYS CA C 59.898 0.000 . 1166 214 125 CYS CB C 41.992 0.000 . 1167 214 125 CYS N N 119.360 0.000 . 1168 215 126 ILE H H 8.317 0.000 . 1169 215 126 ILE HA H 3.592 0.000 . 1170 215 126 ILE HB H 2.019 0.000 . 1171 215 126 ILE HG12 H 0.877 0.000 . 1172 215 126 ILE HG13 H 0.852 0.000 . 1173 215 126 ILE HG2 H 0.906 0.000 . 1174 215 126 ILE HD1 H 0.849 0.000 . 1175 215 126 ILE CA C 66.691 0.000 . 1176 215 126 ILE CB C 38.074 0.000 . 1177 215 126 ILE CG1 C 30.942 0.012 . 1178 215 126 ILE CG2 C 17.209 0.000 . 1179 215 126 ILE CD1 C 14.017 0.000 . 1180 215 126 ILE N N 123.987 0.000 . 1181 216 127 THR H H 8.110 0.000 . 1182 216 127 THR HA H 3.964 0.000 . 1183 216 127 THR HB H 4.317 0.000 . 1184 216 127 THR HG2 H 1.229 0.000 . 1185 216 127 THR CA C 67.112 0.000 . 1186 216 127 THR CB C 68.201 0.000 . 1187 216 127 THR CG2 C 21.977 0.000 . 1188 216 127 THR N N 118.767 0.000 . 1189 217 128 GLN H H 8.736 0.000 . 1190 217 128 GLN HA H 3.646 0.000 . 1191 217 128 GLN HB2 H 2.114 0.000 . 1192 217 128 GLN HB3 H 2.286 0.000 . 1193 217 128 GLN HG2 H 2.234 0.000 . 1194 217 128 GLN HG3 H 2.225 0.000 . 1195 217 128 GLN HE21 H 7.282 0.000 . 1196 217 128 GLN HE22 H 6.836 0.000 . 1197 217 128 GLN CA C 58.604 0.000 . 1198 217 128 GLN CB C 28.084 0.017 . 1199 217 128 GLN CG C 32.284 0.000 . 1200 217 128 GLN N N 122.303 0.000 . 1201 217 128 GLN NE2 N 115.703 0.000 . 1202 218 129 TYR H H 8.613 0.000 . 1203 218 129 TYR HA H 2.957 0.000 . 1204 218 129 TYR HB2 H 2.733 0.000 . 1205 218 129 TYR HB3 H 3.103 0.000 . 1206 218 129 TYR HD1 H 6.218 0.000 . 1207 218 129 TYR HD2 H 6.218 0.000 . 1208 218 129 TYR HE1 H 6.519 0.000 . 1209 218 129 TYR HE2 H 6.519 0.000 . 1210 218 129 TYR CA C 62.050 0.000 . 1211 218 129 TYR CB C 36.997 0.008 . 1212 218 129 TYR CD1 C 132.532 0.000 . 1213 218 129 TYR CD2 C 132.532 0.000 . 1214 218 129 TYR CE1 C 117.843 0.000 . 1215 218 129 TYR CE2 C 117.843 0.000 . 1216 218 129 TYR N N 121.422 0.000 . 1217 219 130 GLU H H 8.298 0.000 . 1218 219 130 GLU HA H 3.724 0.000 . 1219 219 130 GLU HB2 H 2.327 0.000 . 1220 219 130 GLU HB3 H 2.064 0.000 . 1221 219 130 GLU HG2 H 2.315 0.000 . 1222 219 130 GLU HG3 H 2.573 0.000 . 1223 219 130 GLU CA C 59.686 0.000 . 1224 219 130 GLU CB C 28.724 0.007 . 1225 219 130 GLU CG C 35.856 0.018 . 1226 219 130 GLU N N 121.144 0.000 . 1227 220 131 ARG H H 7.904 0.000 . 1228 220 131 ARG HA H 3.993 0.000 . 1229 220 131 ARG HB2 H 1.954 0.000 . 1230 220 131 ARG HB3 H 1.858 0.000 . 1231 220 131 ARG HG2 H 1.829 0.000 . 1232 220 131 ARG HG3 H 1.607 0.000 . 1233 220 131 ARG HD2 H 2.935 0.000 . 1234 220 131 ARG HD3 H 3.086 0.000 . 1235 220 131 ARG CA C 59.543 0.000 . 1236 220 131 ARG CB C 30.262 0.000 . 1237 220 131 ARG CG C 26.933 0.001 . 1238 220 131 ARG CD C 43.957 0.005 . 1239 220 131 ARG N N 119.184 0.000 . 1240 221 132 GLU H H 8.500 0.000 . 1241 221 132 GLU HA H 4.025 0.000 . 1242 221 132 GLU HB2 H 1.857 0.000 . 1243 221 132 GLU HB3 H 1.953 0.000 . 1244 221 132 GLU HG2 H 2.183 0.000 . 1245 221 132 GLU HG3 H 2.369 0.000 . 1246 221 132 GLU CA C 57.992 0.000 . 1247 221 132 GLU CB C 29.194 0.005 . 1248 221 132 GLU CG C 36.661 0.018 . 1249 221 132 GLU N N 119.320 0.000 . 1250 222 133 SER H H 8.562 0.000 . 1251 222 133 SER HA H 3.869 0.000 . 1252 222 133 SER HB2 H 3.585 0.000 . 1253 222 133 SER HB3 H 3.399 0.000 . 1254 222 133 SER CA C 61.592 0.000 . 1255 222 133 SER CB C 62.321 0.003 . 1256 222 133 SER N N 116.189 0.000 . 1257 223 134 GLN H H 7.647 0.000 . 1258 223 134 GLN HA H 4.088 0.000 . 1259 223 134 GLN HB2 H 2.075 0.000 . 1260 223 134 GLN HB3 H 2.076 0.000 . 1261 223 134 GLN HG2 H 2.411 0.000 . 1262 223 134 GLN HG3 H 2.511 0.000 . 1263 223 134 GLN HE21 H 6.793 0.000 . 1264 223 134 GLN HE22 H 7.481 0.000 . 1265 223 134 GLN CA C 58.357 0.000 . 1266 223 134 GLN CB C 28.134 0.004 . 1267 223 134 GLN CG C 33.766 0.018 . 1268 223 134 GLN N N 120.673 0.000 . 1269 223 134 GLN NE2 N 111.771 0.000 . 1270 224 135 ALA H H 7.441 0.000 . 1271 224 135 ALA HA H 4.175 0.000 . 1272 224 135 ALA HB H 1.431 0.000 . 1273 224 135 ALA CA C 53.983 0.000 . 1274 224 135 ALA CB C 18.418 0.000 . 1275 224 135 ALA N N 121.088 0.000 . 1276 225 136 TYR H H 8.224 0.000 . 1277 225 136 TYR HA H 4.180 0.000 . 1278 225 136 TYR HB2 H 2.707 0.000 . 1279 225 136 TYR HB3 H 2.993 0.000 . 1280 225 136 TYR HD1 H 6.477 0.000 . 1281 225 136 TYR HD2 H 6.481 0.000 . 1282 225 136 TYR HE1 H 7.129 0.000 . 1283 225 136 TYR HE2 H 7.126 0.000 . 1284 225 136 TYR CA C 60.720 0.000 . 1285 225 136 TYR CB C 39.382 0.026 . 1286 225 136 TYR CD1 C 133.030 0.000 . 1287 225 136 TYR CD2 C 133.035 0.000 . 1288 225 136 TYR CE1 C 119.910 0.000 . 1289 225 136 TYR CE2 C 119.754 0.000 . 1290 225 136 TYR N N 120.014 0.000 . 1291 226 137 TYR H H 8.319 0.000 . 1292 226 137 TYR HA H 4.391 0.000 . 1293 226 137 TYR HB2 H 3.146 0.000 . 1294 226 137 TYR HB3 H 2.909 0.000 . 1295 226 137 TYR HD1 H 7.131 0.000 . 1296 226 137 TYR HD2 H 7.132 0.000 . 1297 226 137 TYR HE1 H 6.750 0.000 . 1298 226 137 TYR HE2 H 6.750 0.000 . 1299 226 137 TYR CA C 59.472 0.000 . 1300 226 137 TYR CB C 37.815 0.015 . 1301 226 137 TYR CD1 C 133.249 0.000 . 1302 226 137 TYR CD2 C 133.182 0.000 . 1303 226 137 TYR CE1 C 118.054 0.000 . 1304 226 137 TYR CE2 C 118.096 0.000 . 1305 226 137 TYR N N 118.273 0.000 . 1306 227 138 GLY H H 7.838 0.000 . 1307 227 138 GLY HA2 H 3.966 0.000 . 1308 227 138 GLY HA3 H 3.906 0.000 . 1309 227 138 GLY CA C 45.962 0.000 . 1310 227 138 GLY N N 108.094 0.000 . 1311 228 139 GLY H H 7.838 0.000 . 1312 228 139 GLY HA2 H 3.904 0.000 . 1313 228 139 GLY HA3 H 3.904 0.000 . 1314 228 139 GLY CA C 45.073 0.000 . 1315 228 139 GLY N N 107.249 0.000 . stop_ save_