data_34236 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of mule deer prion protein with polymorphism S138 ; _BMRB_accession_number 34236 _BMRB_flat_file_name bmr34236.str _Entry_type original _Submission_date 2018-02-05 _Accession_date 2018-02-05 _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 Slapsak Urska . . 2 Ilc Gregor . . 3 Plavec Janez . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 823 "13C chemical shifts" 473 "15N chemical shifts" 153 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-08-23 original BMRB . stop_ _Original_release_date 2019-03-13 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of mule deer prion protein with polymorphism S138 ; _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 Slapsak Urska . . 2 Ilc Gregor . . 3 Plavec Janez . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _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 '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 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Major prion protein' _Molecular_mass 16008.847 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 140 _Mol_residue_sequence ; GQGGTHSQWNKPSKPKTNMK HVAGAAAAGAVVGGLGGYML GSAMSRPLIHFGNDYEDRYY RENMYRYPNQVYYRPVDQYN NQNTFVHDCVNITVKQHTVT TTTKGENFTETDIKMMERVV EQMCITQYQRESQAYYQRGA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 94 GLY 2 95 GLN 3 96 GLY 4 97 GLY 5 98 THR 6 99 HIS 7 100 SER 8 101 GLN 9 102 TRP 10 103 ASN 11 104 LYS 12 105 PRO 13 106 SER 14 107 LYS 15 108 PRO 16 109 LYS 17 110 THR 18 111 ASN 19 112 MET 20 113 LYS 21 114 HIS 22 115 VAL 23 116 ALA 24 117 GLY 25 118 ALA 26 119 ALA 27 120 ALA 28 121 ALA 29 122 GLY 30 123 ALA 31 124 VAL 32 125 VAL 33 126 GLY 34 127 GLY 35 128 LEU 36 129 GLY 37 130 GLY 38 131 TYR 39 132 MET 40 133 LEU 41 134 GLY 42 135 SER 43 136 ALA 44 137 MET 45 138 SER 46 139 ARG 47 140 PRO 48 141 LEU 49 142 ILE 50 143 HIS 51 144 PHE 52 145 GLY 53 146 ASN 54 147 ASP 55 148 TYR 56 149 GLU 57 150 ASP 58 151 ARG 59 152 TYR 60 153 TYR 61 154 ARG 62 155 GLU 63 156 ASN 64 157 MET 65 158 TYR 66 159 ARG 67 160 TYR 68 161 PRO 69 162 ASN 70 163 GLN 71 164 VAL 72 165 TYR 73 166 TYR 74 167 ARG 75 168 PRO 76 169 VAL 77 170 ASP 78 171 GLN 79 172 TYR 80 173 ASN 81 174 ASN 82 175 GLN 83 176 ASN 84 177 THR 85 178 PHE 86 179 VAL 87 180 HIS 88 181 ASP 89 182 CYS 90 183 VAL 91 184 ASN 92 185 ILE 93 186 THR 94 187 VAL 95 188 LYS 96 189 GLN 97 190 HIS 98 191 THR 99 192 VAL 100 193 THR 101 194 THR 102 195 THR 103 196 THR 104 197 LYS 105 198 GLY 106 199 GLU 107 200 ASN 108 201 PHE 109 202 THR 110 203 GLU 111 204 THR 112 205 ASP 113 206 ILE 114 207 LYS 115 208 MET 116 209 MET 117 210 GLU 118 211 ARG 119 212 VAL 120 213 VAL 121 214 GLU 122 215 GLN 123 216 MET 124 217 CYS 125 218 ILE 126 219 THR 127 220 GLN 128 221 TYR 129 222 GLN 130 223 ARG 131 224 GLU 132 225 SER 133 226 GLN 134 227 ALA 135 228 TYR 136 229 TYR 137 230 GLN 138 231 ARG 139 232 GLY 140 233 ALA 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 'Mule deer' 9872 Eukaryota Metazoa Odocoileus hemionus prnp 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 '0.48 mM [U-99% 13C; U-99% 15N] mdPrP(S138), 20 mM sodium phosphate, 90 % H2O, 10 % [U-2H] D2O, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.48 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name 'YASARA NOVA' _Version . loop_ _Vendor _Address _Electronic_address 'Krieger, E. et al' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version 3.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CARA _Version 1.9.1b18 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name SPARKY _Version 3.114 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_software_5 _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_6 _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' 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 PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_9 _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Uniform NMR System' _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _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 . 'Not defined' pH 5.5 . pH pressure 1 . bar 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 carbons' ppm 0.00 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 external direct . . . 1.00 DSS N 15 nitrogen ppm 0.00 external indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCO' '3D HN(CO)CA' '3D HNCA' '3D CBCA(CO)NH' '3D HNCACB' '3D HBHA(CO)NH' '3D C(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' 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 95 2 GLN H H 8.388 0.02 1 2 95 2 GLN HA H 4.381 0.02 1 3 95 2 GLN HB2 H 2.102 0.02 2 4 95 2 GLN HB3 H 1.972 0.02 2 5 95 2 GLN HG2 H 2.306 0.02 2 6 95 2 GLN HG3 H 2.312 0.02 2 7 95 2 GLN HE21 H 7.526 0.02 2 8 95 2 GLN HE22 H 6.854 0.02 2 9 95 2 GLN CA C 55.804 0.4 1 10 95 2 GLN CB C 29.38 0.4 1 11 95 2 GLN CG C 33.559 0.4 1 12 95 2 GLN N N 121.523 0.3 1 13 95 2 GLN NE2 N 112.346 0.3 1 14 96 3 GLY H H 8.638 0.02 1 15 96 3 GLY HA2 H 3.979 0.02 2 16 96 3 GLY HA3 H 3.975 0.02 2 17 96 3 GLY CA C 44.853 0.4 1 18 96 3 GLY N N 110.877 0.3 1 19 97 4 GLY H H 8.328 0.02 1 20 97 4 GLY HA2 H 3.972 0.02 2 21 97 4 GLY HA3 H 3.985 0.02 2 22 97 4 GLY CA C 44.95 0.4 1 23 97 4 GLY N N 108.77 0.3 1 24 98 5 THR H H 8.133 0.02 1 25 98 5 THR HA H 4.266 0.02 1 26 98 5 THR HB H 4.139 0.02 1 27 98 5 THR HG2 H 1.13 0.02 1 28 98 5 THR CA C 61.685 0.4 1 29 98 5 THR CB C 69.511 0.4 1 30 98 5 THR CG2 C 21.233 0.4 1 31 98 5 THR N N 113.615 0.3 1 32 99 6 HIS H H 8.521 0.02 1 33 99 6 HIS HA H 4.691 0.02 1 34 99 6 HIS HB2 H 3.176 0.02 2 35 99 6 HIS HB3 H 3.11 0.02 2 36 99 6 HIS HD2 H 7.116 0.02 1 37 99 6 HIS CA C 54.957 0.4 1 38 99 6 HIS CB C 29.046 0.4 1 39 99 6 HIS CD2 C 119.876 0.4 1 40 99 6 HIS N N 121.092 0.3 1 41 100 7 SER H H 8.286 0.02 1 42 100 7 SER HA H 4.312 0.02 1 43 100 7 SER HB2 H 3.776 0.02 2 44 100 7 SER HB3 H 3.732 0.02 2 45 100 7 SER CA C 58.327 0.4 1 46 100 7 SER CB C 63.456 0.4 1 47 100 7 SER N N 117.096 0.3 1 48 101 8 GLN H H 8.472 0.02 1 49 101 8 GLN HA H 4.26 0.02 1 50 101 8 GLN HB2 H 1.932 0.02 2 51 101 8 GLN HB3 H 1.843 0.02 2 52 101 8 GLN HG2 H 2.128 0.02 2 53 101 8 GLN HG3 H 2.14 0.02 2 54 101 8 GLN HE21 H 7.388 0.02 2 55 101 8 GLN HE22 H 6.824 0.02 2 56 101 8 GLN CA C 55.719 0.4 1 57 101 8 GLN CB C 29.028 0.4 1 58 101 8 GLN CG C 33.229 0.4 1 59 101 8 GLN N N 122.139 0.3 1 60 101 8 GLN NE2 N 112.31 0.3 1 61 102 9 TRP H H 8.096 0.02 1 62 102 9 TRP HA H 4.656 0.02 1 63 102 9 TRP HB2 H 3.17 0.02 2 64 102 9 TRP HB3 H 3.268 0.02 2 65 102 9 TRP HD1 H 7.204 0.02 1 66 102 9 TRP HE1 H 10.102 0.02 1 67 102 9 TRP HE3 H 7.567 0.02 1 68 102 9 TRP HZ2 H 7.428 0.02 1 69 102 9 TRP HZ3 H 7.092 0.02 1 70 102 9 TRP HH2 H 7.179 0.02 1 71 102 9 TRP CA C 56.864 0.4 1 72 102 9 TRP CB C 29.216 0.4 1 73 102 9 TRP CD1 C 127.015 0.4 1 74 102 9 TRP CE3 C 120.794 0.4 1 75 102 9 TRP CZ2 C 114.506 0.4 1 76 102 9 TRP CZ3 C 121.943 0.4 1 77 102 9 TRP CH2 C 124.549 0.4 1 78 102 9 TRP N N 121.72 0.3 1 79 102 9 TRP NE1 N 129.307 0.3 1 80 103 10 ASN H H 8.18 0.02 1 81 103 10 ASN HA H 4.583 0.02 1 82 103 10 ASN HB2 H 2.518 0.02 2 83 103 10 ASN HB3 H 2.537 0.02 2 84 103 10 ASN HD21 H 7.455 0.02 2 85 103 10 ASN HD22 H 6.821 0.02 2 86 103 10 ASN CA C 52.48 0.4 1 87 103 10 ASN CB C 38.644 0.4 1 88 103 10 ASN N N 119.938 0.3 1 89 103 10 ASN ND2 N 112.549 0.3 1 90 104 11 LYS H H 7.992 0.02 1 91 104 11 LYS HA H 4.405 0.02 1 92 104 11 LYS HB2 H 1.688 0.02 2 93 104 11 LYS HB3 H 1.737 0.02 2 94 104 11 LYS HG2 H 1.398 0.02 2 95 104 11 LYS HG3 H 1.387 0.02 2 96 104 11 LYS HD2 H 1.604 0.02 2 97 104 11 LYS HD3 H 1.667 0.02 2 98 104 11 LYS HE2 H 2.936 0.02 2 99 104 11 LYS HE3 H 2.93 0.02 2 100 104 11 LYS CA C 53.916 0.4 1 101 104 11 LYS CB C 32.367 0.4 1 102 104 11 LYS CG C 24.594 0.4 1 103 104 11 LYS CD C 29.248 0.4 1 104 104 11 LYS CE C 41.603 0.4 1 105 104 11 LYS N N 122.693 0.3 1 106 105 12 PRO HA H 4.389 0.02 1 107 105 12 PRO HB2 H 2.268 0.02 2 108 105 12 PRO HB3 H 1.868 0.02 2 109 105 12 PRO HG2 H 1.997 0.02 1 110 105 12 PRO HG3 H 1.98 0.02 1 111 105 12 PRO HD2 H 3.757 0.02 2 112 105 12 PRO HD3 H 3.602 0.02 2 113 105 12 PRO CA C 62.827 0.4 1 114 105 12 PRO CB C 31.952 0.4 1 115 105 12 PRO CG C 27.136 0.4 1 116 105 12 PRO CD C 50.477 0.4 1 117 106 13 SER H H 8.428 0.02 1 118 106 13 SER HA H 4.408 0.02 1 119 106 13 SER HB2 H 3.805 0.02 2 120 106 13 SER HB3 H 3.805 0.02 2 121 106 13 SER CA C 57.804 0.4 1 122 106 13 SER CB C 63.703 0.4 1 123 106 13 SER N N 116.921 0.3 1 124 107 14 LYS H H 8.329 0.02 1 125 107 14 LYS HA H 4.596 0.02 1 126 107 14 LYS HB2 H 1.695 0.02 2 127 107 14 LYS HB3 H 1.732 0.02 2 128 107 14 LYS HG2 H 1.382 0.02 2 129 107 14 LYS HG3 H 1.405 0.02 2 130 107 14 LYS HD2 H 1.612 0.02 2 131 107 14 LYS HD3 H 1.659 0.02 2 132 107 14 LYS HE2 H 2.97 0.02 2 133 107 14 LYS HE3 H 2.983 0.02 2 134 107 14 LYS CA C 53.974 0.4 1 135 107 14 LYS CB C 32.588 0.4 1 136 107 14 LYS CG C 24.385 0.4 1 137 107 14 LYS CD C 28.862 0.4 1 138 107 14 LYS CE C 41.733 0.4 1 139 107 14 LYS N N 124.186 0.3 1 140 108 15 PRO HA H 4.403 0.02 1 141 108 15 PRO HB2 H 2.264 0.02 1 142 108 15 PRO HB3 H 1.858 0.02 1 143 108 15 PRO HG2 H 1.991 0.02 2 144 108 15 PRO HG3 H 1.976 0.02 2 145 108 15 PRO HD2 H 3.803 0.02 2 146 108 15 PRO HD3 H 3.602 0.02 2 147 108 15 PRO CA C 62.893 0.4 1 148 108 15 PRO CB C 32.023 0.4 1 149 108 15 PRO CG C 27.217 0.4 1 150 108 15 PRO CD C 50.511 0.4 1 151 109 16 LYS H H 8.521 0.02 1 152 109 16 LYS HA H 4.347 0.02 1 153 109 16 LYS HB2 H 1.724 0.02 2 154 109 16 LYS HB3 H 1.837 0.02 2 155 109 16 LYS HG2 H 1.481 0.02 2 156 109 16 LYS HG3 H 1.438 0.02 2 157 109 16 LYS HD2 H 1.627 0.02 2 158 109 16 LYS HD3 H 1.67 0.02 2 159 109 16 LYS HE2 H 2.976 0.02 2 160 109 16 LYS HE3 H 2.94 0.02 2 161 109 16 LYS CA C 56.203 0.4 1 162 109 16 LYS CB C 32.781 0.4 1 163 109 16 LYS CG C 24.718 0.4 1 164 109 16 LYS CD C 28.729 0.4 1 165 109 16 LYS CE C 41.793 0.4 1 166 109 16 LYS N N 122.11 0.3 1 167 110 17 THR H H 8.14 0.02 1 168 110 17 THR HA H 4.304 0.02 1 169 110 17 THR HB H 4.139 0.02 1 170 110 17 THR HG2 H 1.158 0.02 1 171 110 17 THR CA C 61.344 0.4 1 172 110 17 THR CB C 69.707 0.4 1 173 110 17 THR CG2 C 21.302 0.4 1 174 110 17 THR N N 115.291 0.3 1 175 111 18 ASN H H 8.542 0.02 1 176 111 18 ASN HA H 4.693 0.02 1 177 111 18 ASN HB2 H 2.801 0.02 2 178 111 18 ASN HB3 H 2.735 0.02 2 179 111 18 ASN HD21 H 7.585 0.02 2 180 111 18 ASN HD22 H 6.886 0.02 2 181 111 18 ASN CA C 52.814 0.4 1 182 111 18 ASN CB C 38.528 0.4 1 183 111 18 ASN N N 121.357 0.3 1 184 111 18 ASN ND2 N 112.654 0.3 1 185 112 19 MET H H 8.343 0.02 1 186 112 19 MET HA H 4.416 0.02 1 187 112 19 MET HB2 H 1.983 0.02 2 188 112 19 MET HB3 H 1.932 0.02 2 189 112 19 MET HG2 H 2.53 0.02 2 190 112 19 MET HG3 H 2.465 0.02 2 191 112 19 MET HE H 1.946 0.02 1 192 112 19 MET CA C 55.195 0.4 1 193 112 19 MET CB C 32.501 0.4 1 194 112 19 MET CG C 31.781 0.4 1 195 112 19 MET CE C 16.941 0.4 1 196 112 19 MET N N 121.316 0.3 1 197 113 20 LYS H H 8.3 0.02 1 198 113 20 LYS HA H 4.224 0.02 1 199 113 20 LYS HB2 H 1.723 0.02 2 200 113 20 LYS HB3 H 1.69 0.02 2 201 113 20 LYS HG2 H 1.328 0.02 2 202 113 20 LYS HG3 H 1.393 0.02 2 203 113 20 LYS HD2 H 1.665 0.02 2 204 113 20 LYS HD3 H 1.626 0.02 2 205 113 20 LYS HE2 H 2.983 0.02 2 206 113 20 LYS HE3 H 2.936 0.02 2 207 113 20 LYS CA C 56.038 0.4 1 208 113 20 LYS CB C 32.72 0.4 1 209 113 20 LYS CG C 24.63 0.4 1 210 113 20 LYS CD C 28.843 0.4 1 211 113 20 LYS CE C 41.692 0.4 1 212 113 20 LYS N N 122.431 0.3 1 213 114 21 HIS H H 8.46 0.02 1 214 114 21 HIS HA H 4.675 0.02 1 215 114 21 HIS HB2 H 3.172 0.02 2 216 114 21 HIS HB3 H 3.106 0.02 2 217 114 21 HIS HD2 H 7.116 0.02 1 218 114 21 HIS CA C 55.086 0.4 1 219 114 21 HIS CB C 29.197 0.4 1 220 114 21 HIS CD2 C 119.684 0.4 1 221 114 21 HIS N N 120.813 0.3 1 222 115 22 VAL H H 8.143 0.02 1 223 115 22 VAL HA H 4.075 0.02 1 224 115 22 VAL HB H 1.976 0.02 1 225 115 22 VAL HG1 H 0.854 0.02 1 226 115 22 VAL HG2 H 0.824 0.02 1 227 115 22 VAL CA C 61.736 0.4 1 228 115 22 VAL CB C 32.436 0.4 1 229 115 22 VAL CG1 C 20.944 0.4 1 230 115 22 VAL CG2 C 20.866 0.4 1 231 115 22 VAL N N 122.756 0.3 1 232 116 23 ALA H H 8.457 0.02 1 233 116 23 ALA HA H 4.274 0.02 1 234 116 23 ALA HB H 1.363 0.02 1 235 116 23 ALA CA C 52.205 0.4 1 236 116 23 ALA CB C 18.959 0.4 1 237 116 23 ALA N N 128.266 0.3 1 238 117 24 GLY H H 8.378 0.02 1 239 117 24 GLY HA2 H 3.913 0.02 2 240 117 24 GLY HA3 H 3.901 0.02 2 241 117 24 GLY CA C 44.883 0.4 1 242 117 24 GLY N N 108.716 0.3 1 243 118 25 ALA H H 8.141 0.02 1 244 118 25 ALA HA H 4.272 0.02 1 245 118 25 ALA HB H 1.355 0.02 1 246 118 25 ALA CA C 52.272 0.4 1 247 118 25 ALA CB C 18.952 0.4 1 248 118 25 ALA N N 123.852 0.3 1 249 119 26 ALA H H 8.291 0.02 1 250 119 26 ALA HA H 4.267 0.02 1 251 119 26 ALA HB H 1.349 0.02 1 252 119 26 ALA CA C 52.108 0.4 1 253 119 26 ALA CB C 18.909 0.4 1 254 119 26 ALA N N 123.282 0.3 1 255 120 27 ALA H H 8.205 0.02 1 256 120 27 ALA HA H 4.268 0.02 1 257 120 27 ALA HB H 1.353 0.02 1 258 120 27 ALA CA C 52.27 0.4 1 259 120 27 ALA CB C 19.016 0.4 1 260 120 27 ALA N N 123.365 0.3 1 261 121 28 ALA H H 8.235 0.02 1 262 121 28 ALA HA H 4.27 0.02 1 263 121 28 ALA HB H 1.351 0.02 1 264 121 28 ALA CA C 52.362 0.4 1 265 121 28 ALA CB C 18.963 0.4 1 266 121 28 ALA N N 123.331 0.3 1 267 122 29 GLY H H 8.272 0.02 1 268 122 29 GLY HA2 H 3.911 0.02 2 269 122 29 GLY HA3 H 3.878 0.02 2 270 122 29 GLY CA C 44.876 0.4 1 271 122 29 GLY N N 107.933 0.3 1 272 123 30 ALA H H 8.065 0.02 1 273 123 30 ALA HA H 4.344 0.02 1 274 123 30 ALA HB H 1.332 0.02 1 275 123 30 ALA CA C 52.016 0.4 1 276 123 30 ALA CB C 19.253 0.4 1 277 123 30 ALA N N 123.543 0.3 1 278 124 31 VAL H H 8.122 0.02 1 279 124 31 VAL HA H 4.112 0.02 1 280 124 31 VAL HB H 1.981 0.02 1 281 124 31 VAL HG1 H 0.87 0.02 2 282 124 31 VAL HG2 H 0.823 0.02 2 283 124 31 VAL CA C 61.933 0.4 1 284 124 31 VAL CB C 32.409 0.4 1 285 124 31 VAL CG1 C 20.452 0.4 1 286 124 31 VAL CG2 C 21.042 0.4 1 287 124 31 VAL N N 119.6 0.3 1 288 125 32 VAL H H 8.264 0.02 1 289 125 32 VAL HA H 4.06 0.02 1 290 125 32 VAL HB H 1.986 0.02 1 291 125 32 VAL HG1 H 0.871 0.02 1 292 125 32 VAL HG2 H 0.826 0.02 1 293 125 32 VAL CA C 62.167 0.4 1 294 125 32 VAL CB C 32.505 0.4 1 295 125 32 VAL CG1 C 20.353 0.4 1 296 125 32 VAL CG2 C 20.98 0.4 1 297 125 32 VAL N N 124.674 0.3 1 298 126 33 GLY H H 8.558 0.02 1 299 126 33 GLY HA2 H 3.918 0.02 1 300 126 33 GLY HA3 H 3.905 0.02 1 301 126 33 GLY CA C 44.97 0.4 1 302 126 33 GLY N N 113.343 0.3 1 303 127 34 GLY H H 8.258 0.02 1 304 127 34 GLY HA2 H 3.901 0.02 1 305 127 34 GLY HA3 H 3.912 0.02 1 306 127 34 GLY CA C 45.124 0.4 1 307 127 34 GLY N N 108.403 0.3 1 308 128 35 LEU H H 8.181 0.02 1 309 128 35 LEU HA H 4.332 0.02 1 310 128 35 LEU HB2 H 1.522 0.02 1 311 128 35 LEU HB3 H 1.583 0.02 1 312 128 35 LEU HG H 1.468 0.02 1 313 128 35 LEU HD1 H 0.651 0.02 1 314 128 35 LEU HD2 H 0.547 0.02 1 315 128 35 LEU CA C 54.654 0.4 1 316 128 35 LEU CB C 42.313 0.4 1 317 128 35 LEU CG C 26.76 0.4 1 318 128 35 LEU CD1 C 24.497 0.4 1 319 128 35 LEU CD2 C 23.276 0.4 1 320 128 35 LEU N N 121.71 0.3 1 321 129 36 GLY H H 8.524 0.02 1 322 129 36 GLY HA2 H 3.92 0.02 1 323 129 36 GLY HA3 H 3.831 0.02 1 324 129 36 GLY CA C 45.93 0.4 1 325 129 36 GLY N N 109.769 0.3 1 326 130 37 GLY H H 8.348 0.02 1 327 130 37 GLY HA2 H 4.106 0.02 2 328 130 37 GLY HA3 H 3.797 0.02 2 329 130 37 GLY CA C 45.093 0.4 1 330 130 37 GLY N N 109.072 0.3 1 331 131 38 TYR H H 7.809 0.02 1 332 131 38 TYR HA H 4.515 0.02 1 333 131 38 TYR HB2 H 2.914 0.02 1 334 131 38 TYR HB3 H 2.818 0.02 1 335 131 38 TYR HD1 H 6.818 0.02 1 336 131 38 TYR HD2 H 6.818 0.02 1 337 131 38 TYR HE1 H 6.593 0.02 1 338 131 38 TYR HE2 H 6.591 0.02 1 339 131 38 TYR CA C 57.098 0.4 1 340 131 38 TYR CB C 39.902 0.4 1 341 131 38 TYR CD1 C 132.836 0.4 1 342 131 38 TYR CD2 C 132.836 0.4 1 343 131 38 TYR CE1 C 118.196 0.4 1 344 131 38 TYR CE2 C 118.204 0.4 1 345 131 38 TYR N N 117.981 0.3 1 346 132 39 MET H H 9.096 0.02 1 347 132 39 MET HA H 4.494 0.02 1 348 132 39 MET HB2 H 0.96 0.02 1 349 132 39 MET HB3 H 1.55 0.02 1 350 132 39 MET HG2 H 2.192 0.02 1 351 132 39 MET HG3 H 2.189 0.02 1 352 132 39 MET HE H 1.946 0.02 1 353 132 39 MET CA C 53.495 0.4 1 354 132 39 MET CB C 34.269 0.4 1 355 132 39 MET CG C 31.7 0.4 1 356 132 39 MET CE C 16.941 0.4 1 357 132 39 MET N N 121.491 0.3 1 358 133 40 LEU H H 8.069 0.02 1 359 133 40 LEU HA H 4.49 0.02 1 360 133 40 LEU HB2 H 0.938 0.02 1 361 133 40 LEU HB3 H 1.59 0.02 1 362 133 40 LEU HG H 1.356 0.02 1 363 133 40 LEU HD1 H 0.602 0.02 1 364 133 40 LEU HD2 H -0.062 0.02 1 365 133 40 LEU CA C 53.209 0.4 1 366 133 40 LEU CB C 43.434 0.4 1 367 133 40 LEU CG C 25.791 0.4 1 368 133 40 LEU CD1 C 25.626 0.4 1 369 133 40 LEU CD2 C 21.391 0.4 1 370 133 40 LEU N N 121.306 0.3 1 371 134 41 GLY H H 9.373 0.02 1 372 134 41 GLY HA2 H 4.053 0.02 1 373 134 41 GLY HA3 H 4.425 0.02 1 374 134 41 GLY CA C 44.816 0.4 1 375 134 41 GLY N N 115.207 0.3 1 376 135 42 SER H H 8.339 0.02 1 377 135 42 SER HA H 4.398 0.02 1 378 135 42 SER HB2 H 3.948 0.02 1 379 135 42 SER HB3 H 3.889 0.02 1 380 135 42 SER CA C 57.923 0.4 1 381 135 42 SER CB C 63.753 0.4 1 382 135 42 SER N N 113.525 0.3 1 383 136 43 ALA H H 8.723 0.02 1 384 136 43 ALA HA H 4.433 0.02 1 385 136 43 ALA HB H 1.249 0.02 1 386 136 43 ALA CA C 52.723 0.4 1 387 136 43 ALA CB C 18.287 0.4 1 388 136 43 ALA N N 125.316 0.3 1 389 137 44 MET H H 8.763 0.02 1 390 137 44 MET HA H 4.719 0.02 1 391 137 44 MET HB2 H 2.004 0.02 1 392 137 44 MET HB3 H 1.964 0.02 1 393 137 44 MET HG2 H 2.456 0.02 1 394 137 44 MET HG3 H 2.388 0.02 1 395 137 44 MET HE H 2.137 0.02 1 396 137 44 MET CA C 53.623 0.4 1 397 137 44 MET CB C 36.78 0.4 1 398 137 44 MET CG C 31.031 0.4 1 399 137 44 MET CE C 17.669 0.4 1 400 137 44 MET N N 121 0.3 1 401 138 45 SER H H 8.414 0.02 1 402 138 45 SER HA H 4.357 0.02 1 403 138 45 SER HB2 H 3.792 0.02 2 404 138 45 SER HB3 H 3.708 0.02 2 405 138 45 SER CA C 58.23 0.4 1 406 138 45 SER CB C 62.737 0.4 1 407 138 45 SER N N 116.097 0.3 1 408 139 46 ARG H H 8.647 0.02 1 409 139 46 ARG HA H 4.354 0.02 1 410 139 46 ARG HB2 H 1.63 0.02 2 411 139 46 ARG HB3 H 1.67 0.02 2 412 139 46 ARG HG2 H 1.692 0.02 2 413 139 46 ARG HG3 H 1.662 0.02 2 414 139 46 ARG HD2 H 3.019 0.02 2 415 139 46 ARG HD3 H 2.913 0.02 2 416 139 46 ARG CA C 54.496 0.4 1 417 139 46 ARG CB C 28.829 0.4 1 418 139 46 ARG CG C 28.678 0.4 1 419 139 46 ARG CD C 43.728 0.4 1 420 139 46 ARG N N 126.742 0.3 1 421 140 47 PRO HA H 4.366 0.02 1 422 140 47 PRO HB2 H 1.739 0.02 1 423 140 47 PRO HB3 H 2.2 0.02 1 424 140 47 PRO HG2 H 1.975 0.02 1 425 140 47 PRO HG3 H 2.003 0.02 1 426 140 47 PRO HD2 H 3.914 0.02 1 427 140 47 PRO HD3 H 3.898 0.02 1 428 140 47 PRO CA C 62.145 0.4 1 429 140 47 PRO CB C 32.038 0.4 1 430 140 47 PRO CG C 27.196 0.4 1 431 140 47 PRO CD C 50.457 0.4 1 432 141 48 LEU H H 8.613 0.02 1 433 141 48 LEU HA H 4.498 0.02 1 434 141 48 LEU HB2 H 1.626 0.02 2 435 141 48 LEU HB3 H 1.512 0.02 2 436 141 48 LEU HG H 1.544 0.02 1 437 141 48 LEU HD1 H 0.958 0.02 2 438 141 48 LEU HD2 H 0.911 0.02 2 439 141 48 LEU CA C 54.107 0.4 1 440 141 48 LEU CB C 40.534 0.4 1 441 141 48 LEU CG C 26.949 0.4 1 442 141 48 LEU CD1 C 24.356 0.4 1 443 141 48 LEU CD2 C 23.904 0.4 1 444 141 48 LEU N N 124.072 0.3 1 445 142 49 ILE H H 6.42 0.02 1 446 142 49 ILE HA H 3.819 0.02 1 447 142 49 ILE HB H 0.82 0.02 1 448 142 49 ILE HG12 H 0.736 0.02 1 449 142 49 ILE HG13 H 0.857 0.02 1 450 142 49 ILE HG2 H -0.077 0.02 1 451 142 49 ILE HD1 H 0.422 0.02 1 452 142 49 ILE CA C 59.027 0.4 1 453 142 49 ILE CB C 38.741 0.4 1 454 142 49 ILE CG1 C 26.431 0.4 1 455 142 49 ILE CG2 C 17.091 0.4 1 456 142 49 ILE CD1 C 12.308 0.4 1 457 142 49 ILE N N 123.472 0.3 1 458 143 50 HIS H H 8.188 0.02 1 459 143 50 HIS HA H 4.895 0.02 1 460 143 50 HIS HB2 H 3.282 0.02 1 461 143 50 HIS HB3 H 2.92 0.02 1 462 143 50 HIS HD2 H 7.167 0.02 1 463 143 50 HIS HE1 H 8.449 0.02 1 464 143 50 HIS CA C 53.902 0.4 1 465 143 50 HIS CB C 29.397 0.4 1 466 143 50 HIS CD2 C 119.961 0.4 1 467 143 50 HIS CE1 C 136.425 0.4 1 468 143 50 HIS N N 121.913 0.3 1 469 144 51 PHE H H 10.463 0.02 1 470 144 51 PHE HA H 4.264 0.02 1 471 144 51 PHE HB2 H 2.796 0.02 1 472 144 51 PHE HB3 H 3.327 0.02 1 473 144 51 PHE HD1 H 7.293 0.02 1 474 144 51 PHE HD2 H 7.293 0.02 1 475 144 51 PHE HE1 H 6.86 0.02 1 476 144 51 PHE HE2 H 6.86 0.02 1 477 144 51 PHE HZ H 6.663 0.02 1 478 144 51 PHE CA C 59.15 0.4 1 479 144 51 PHE CB C 40.702 0.4 1 480 144 51 PHE CD1 C 131.965 0.4 1 481 144 51 PHE CD2 C 131.965 0.4 1 482 144 51 PHE CE1 C 130.985 0.4 1 483 144 51 PHE CE2 C 130.965 0.4 1 484 144 51 PHE CZ C 129.024 0.4 1 485 144 51 PHE N N 124.608 0.3 1 486 145 52 GLY H H 8.984 0.02 1 487 145 52 GLY HA2 H 4.138 0.02 2 488 145 52 GLY HA3 H 3.72 0.02 2 489 145 52 GLY CA C 45.404 0.4 1 490 145 52 GLY N N 109.009 0.3 1 491 146 53 ASN H H 7.275 0.02 1 492 146 53 ASN HA H 4.853 0.02 1 493 146 53 ASN HB2 H 2.815 0.02 2 494 146 53 ASN HB3 H 2.755 0.02 2 495 146 53 ASN CA C 52.394 0.4 1 496 146 53 ASN CB C 41.65 0.4 1 497 146 53 ASN N N 113.83 0.3 1 498 147 54 ASP H H 8.948 0.02 1 499 147 54 ASP HA H 4.519 0.02 1 500 147 54 ASP HB2 H 2.692 0.02 2 501 147 54 ASP HB3 H 2.684 0.02 2 502 147 54 ASP CA C 56.999 0.4 1 503 147 54 ASP CB C 40.882 0.4 1 504 147 54 ASP N N 122.652 0.3 1 505 148 55 TYR H H 8.398 0.02 1 506 148 55 TYR HA H 4.194 0.02 1 507 148 55 TYR HB2 H 3.015 0.02 1 508 148 55 TYR HB3 H 3.222 0.02 1 509 148 55 TYR HD1 H 7.049 0.02 1 510 148 55 TYR HD2 H 7.049 0.02 1 511 148 55 TYR HE1 H 6.726 0.02 1 512 148 55 TYR HE2 H 6.728 0.02 1 513 148 55 TYR CA C 61.423 0.4 1 514 148 55 TYR CB C 37.412 0.4 1 515 148 55 TYR CD1 C 133.257 0.4 1 516 148 55 TYR CD2 C 133.257 0.4 1 517 148 55 TYR CE1 C 117.973 0.4 1 518 148 55 TYR CE2 C 117.98 0.4 1 519 148 55 TYR N N 120.181 0.3 1 520 149 56 GLU H H 8.377 0.02 1 521 149 56 GLU HA H 3.517 0.02 1 522 149 56 GLU HB2 H 1.661 0.02 1 523 149 56 GLU HB3 H 1.919 0.02 1 524 149 56 GLU HG2 H 2.541 0.02 2 525 149 56 GLU HG3 H 1.753 0.02 2 526 149 56 GLU CA C 59.586 0.4 1 527 149 56 GLU CB C 29.568 0.4 1 528 149 56 GLU CG C 38.186 0.4 1 529 149 56 GLU N N 119.749 0.3 1 530 150 57 ASP H H 8.053 0.02 1 531 150 57 ASP HA H 4.519 0.02 1 532 150 57 ASP HB2 H 2.811 0.02 2 533 150 57 ASP HB3 H 2.902 0.02 2 534 150 57 ASP CA C 57.176 0.4 1 535 150 57 ASP CB C 40.117 0.4 1 536 150 57 ASP N N 118.784 0.3 1 537 151 58 ARG H H 8.064 0.02 1 538 151 58 ARG HA H 3.993 0.02 1 539 151 58 ARG HB2 H 1.91 0.02 1 540 151 58 ARG HB3 H 1.878 0.02 1 541 151 58 ARG HG2 H 1.703 0.02 2 542 151 58 ARG HG3 H 1.496 0.02 2 543 151 58 ARG HD2 H 3.191 0.02 2 544 151 58 ARG HD3 H 3.176 0.02 2 545 151 58 ARG CA C 59.413 0.4 1 546 151 58 ARG CB C 29.699 0.4 1 547 151 58 ARG CG C 27.498 0.4 1 548 151 58 ARG CD C 43.273 0.4 1 549 151 58 ARG N N 120.262 0.3 1 550 152 59 TYR H H 8.365 0.02 1 551 152 59 TYR HA H 3.807 0.02 1 552 152 59 TYR HB2 H 2.59 0.02 1 553 152 59 TYR HB3 H 2.779 0.02 1 554 152 59 TYR HD1 H 6.9 0.02 1 555 152 59 TYR HD2 H 6.9 0.02 1 556 152 59 TYR HE2 H 6.949 0.02 1 557 152 59 TYR CA C 61.988 0.4 1 558 152 59 TYR CB C 38.344 0.4 1 559 152 59 TYR CD1 C 133.138 0.4 1 560 152 59 TYR CD2 C 133.138 0.4 1 561 152 59 TYR CE2 C 118.207 0.4 1 562 152 59 TYR N N 120.981 0.3 1 563 153 60 TYR H H 8.991 0.02 1 564 153 60 TYR HA H 4.077 0.02 1 565 153 60 TYR HB2 H 3.191 0.02 1 566 153 60 TYR HB3 H 3.576 0.02 1 567 153 60 TYR HD1 H 7.47 0.02 1 568 153 60 TYR HD2 H 7.47 0.02 1 569 153 60 TYR HE1 H 6.956 0.02 1 570 153 60 TYR HE2 H 6.956 0.02 1 571 153 60 TYR CA C 62.878 0.4 1 572 153 60 TYR CB C 38.245 0.4 1 573 153 60 TYR CD1 C 133.315 0.4 1 574 153 60 TYR CD2 C 133.315 0.4 1 575 153 60 TYR CE1 C 117.928 0.4 1 576 153 60 TYR CE2 C 117.928 0.4 1 577 153 60 TYR N N 120.148 0.3 1 578 154 61 ARG H H 7.793 0.02 1 579 154 61 ARG HA H 3.868 0.02 1 580 154 61 ARG HB2 H 2.107 0.02 1 581 154 61 ARG HB3 H 1.964 0.02 1 582 154 61 ARG HG2 H 1.746 0.02 1 583 154 61 ARG HG3 H 1.972 0.02 1 584 154 61 ARG HD2 H 3.33 0.02 2 585 154 61 ARG HD3 H 3.273 0.02 2 586 154 61 ARG CA C 59.699 0.4 1 587 154 61 ARG CB C 29.423 0.4 1 588 154 61 ARG CG C 28.044 0.4 1 589 154 61 ARG CD C 43.213 0.4 1 590 154 61 ARG N N 117.459 0.3 1 591 155 62 GLU H H 7.949 0.02 1 592 155 62 GLU HA H 4.082 0.02 1 593 155 62 GLU HB2 H 1.888 0.02 1 594 155 62 GLU HB3 H 1.845 0.02 1 595 155 62 GLU HG2 H 2.202 0.02 1 596 155 62 GLU HG3 H 2.44 0.02 1 597 155 62 GLU CA C 57.609 0.4 1 598 155 62 GLU CB C 29.756 0.4 1 599 155 62 GLU CG C 36.176 0.4 1 600 155 62 GLU N N 115.797 0.3 1 601 156 63 ASN H H 7.53 0.02 1 602 156 63 ASN HA H 4.486 0.02 1 603 156 63 ASN HB2 H 2.2 0.02 1 604 156 63 ASN HB3 H 2.13 0.02 1 605 156 63 ASN HD21 H 6.82 0.02 1 606 156 63 ASN HD22 H 6.499 0.02 1 607 156 63 ASN CA C 54.469 0.4 1 608 156 63 ASN CB C 40.945 0.4 1 609 156 63 ASN N N 115.147 0.3 1 610 156 63 ASN ND2 N 116.755 0.3 1 611 157 64 MET H H 7.8 0.02 1 612 157 64 MET HA H 3.415 0.02 1 613 157 64 MET HB2 H 1.566 0.02 1 614 157 64 MET HB3 H 1.296 0.02 1 615 157 64 MET HG2 H 2.295 0.02 1 616 157 64 MET HG3 H 1.809 0.02 1 617 157 64 MET HE H 1.917 0.02 1 618 157 64 MET CA C 59.02 0.4 1 619 157 64 MET CB C 30.509 0.4 1 620 157 64 MET CG C 30.119 0.4 1 621 157 64 MET CE C 17.189 0.4 1 622 157 64 MET N N 118.463 0.3 1 623 158 65 TYR H H 7.571 0.02 1 624 158 65 TYR HA H 4.11 0.02 1 625 158 65 TYR HB2 H 2.953 0.02 2 626 158 65 TYR HB3 H 2.953 0.02 2 627 158 65 TYR HD1 H 7.32 0.02 1 628 158 65 TYR HD2 H 7.32 0.02 1 629 158 65 TYR HE1 H 6.856 0.02 1 630 158 65 TYR HE2 H 6.856 0.02 1 631 158 65 TYR CA C 59.223 0.4 1 632 158 65 TYR CB C 35.992 0.4 1 633 158 65 TYR CD1 C 134.176 0.4 1 634 158 65 TYR CD2 C 134.176 0.4 1 635 158 65 TYR CE1 C 118.465 0.4 1 636 158 65 TYR CE2 C 118.465 0.4 1 637 158 65 TYR N N 116.352 0.3 1 638 159 66 ARG H H 7.472 0.02 1 639 159 66 ARG HA H 4.011 0.02 1 640 159 66 ARG HB2 H 1.313 0.02 1 641 159 66 ARG HB3 H 1.983 0.02 1 642 159 66 ARG HG2 H 1.23 0.02 1 643 159 66 ARG HG3 H 0.493 0.02 1 644 159 66 ARG HD2 H 3.175 0.02 2 645 159 66 ARG HD3 H 3.041 0.02 2 646 159 66 ARG CA C 56.176 0.4 1 647 159 66 ARG CB C 30.611 0.4 1 648 159 66 ARG CG C 26.974 0.4 1 649 159 66 ARG CD C 44.121 0.4 1 650 159 66 ARG N N 118.788 0.3 1 651 160 67 TYR H H 7.437 0.02 1 652 160 67 TYR HA H 4.973 0.02 1 653 160 67 TYR HB2 H 3.09 0.02 1 654 160 67 TYR HB3 H 3.09 0.02 1 655 160 67 TYR HD1 H 6.834 0.02 1 656 160 67 TYR HD2 H 6.837 0.02 1 657 160 67 TYR HE1 H 6.509 0.02 1 658 160 67 TYR HE2 H 6.509 0.02 1 659 160 67 TYR CA C 52.601 0.4 1 660 160 67 TYR CB C 34.847 0.4 1 661 160 67 TYR CD1 C 131.02 0.4 1 662 160 67 TYR CD2 C 131.013 0.4 1 663 160 67 TYR CE1 C 117.359 0.4 1 664 160 67 TYR CE2 C 117.359 0.4 1 665 160 67 TYR N N 121.25 0.3 1 666 161 68 PRO HA H 4.367 0.02 1 667 161 68 PRO HB2 H 2.382 0.02 1 668 161 68 PRO HB3 H 1.655 0.02 1 669 161 68 PRO HG2 H 1.515 0.02 1 670 161 68 PRO HG3 H 1.233 0.02 1 671 161 68 PRO HD2 H 3.171 0.02 2 672 161 68 PRO HD3 H 3.07 0.02 2 673 161 68 PRO CA C 63.363 0.4 1 674 161 68 PRO CB C 32.127 0.4 1 675 161 68 PRO CG C 26.973 0.4 1 676 161 68 PRO CD C 49.752 0.4 1 677 162 69 ASN H H 8.542 0.02 1 678 162 69 ASN HA H 4.665 0.02 1 679 162 69 ASN HB2 H 2.356 0.02 2 680 162 69 ASN HB3 H 2.356 0.02 2 681 162 69 ASN HD21 H 7.458 0.02 1 682 162 69 ASN HD22 H 6.762 0.02 1 683 162 69 ASN CA C 51.63 0.4 1 684 162 69 ASN CB C 38.079 0.4 1 685 162 69 ASN N N 115.729 0.3 1 686 162 69 ASN ND2 N 108.965 0.3 1 687 163 70 GLN H H 7.251 0.02 1 688 163 70 GLN HA H 4.504 0.02 1 689 163 70 GLN HB2 H 1.678 0.02 1 690 163 70 GLN HB3 H 1.957 0.02 1 691 163 70 GLN HG2 H 2.137 0.02 1 692 163 70 GLN HG3 H 2.004 0.02 1 693 163 70 GLN HE21 H 7.926 0.02 1 694 163 70 GLN HE22 H 6.954 0.02 1 695 163 70 GLN CA C 54.008 0.4 1 696 163 70 GLN CB C 33.544 0.4 1 697 163 70 GLN CG C 33.959 0.4 1 698 163 70 GLN N N 113.941 0.3 1 699 163 70 GLN NE2 N 112.576 0.3 1 700 164 71 VAL H H 8.448 0.02 1 701 164 71 VAL HA H 4.908 0.02 1 702 164 71 VAL HB H 2.574 0.02 1 703 164 71 VAL HG1 H 0.919 0.02 1 704 164 71 VAL HG2 H 0.725 0.02 1 705 164 71 VAL CA C 58.469 0.4 1 706 164 71 VAL CB C 33.692 0.4 1 707 164 71 VAL CG1 C 23.461 0.4 1 708 164 71 VAL CG2 C 18.181 0.4 1 709 164 71 VAL N N 112.541 0.3 1 710 165 72 TYR H H 8.515 0.02 1 711 165 72 TYR HA H 5.58 0.02 1 712 165 72 TYR HB2 H 2.609 0.02 1 713 165 72 TYR HB3 H 2.53 0.02 1 714 165 72 TYR HD1 H 6.881 0.02 1 715 165 72 TYR HD2 H 6.881 0.02 1 716 165 72 TYR HE1 H 6.737 0.02 1 717 165 72 TYR HE2 H 6.737 0.02 1 718 165 72 TYR CA C 56.831 0.4 1 719 165 72 TYR CB C 41.674 0.4 1 720 165 72 TYR CD1 C 132.93 0.4 1 721 165 72 TYR CD2 C 132.93 0.4 1 722 165 72 TYR CE1 C 118.314 0.4 1 723 165 72 TYR CE2 C 118.314 0.4 1 724 165 72 TYR N N 121.506 0.3 1 725 166 73 TYR H H 8.557 0.02 1 726 166 73 TYR HA H 4.823 0.02 1 727 166 73 TYR HB2 H 2.667 0.02 1 728 166 73 TYR HB3 H 2.825 0.02 1 729 166 73 TYR HD1 H 7.14 0.02 1 730 166 73 TYR HD2 H 7.14 0.02 1 731 166 73 TYR HE1 H 6.465 0.02 1 732 166 73 TYR HE2 H 6.465 0.02 1 733 166 73 TYR CA C 55.851 0.4 1 734 166 73 TYR CB C 40.02 0.4 1 735 166 73 TYR CD1 C 134.109 0.4 1 736 166 73 TYR CD2 C 134.109 0.4 1 737 166 73 TYR CE1 C 117.82 0.4 1 738 166 73 TYR CE2 C 117.82 0.4 1 739 166 73 TYR N N 111.18 0.3 1 740 167 74 ARG H H 7.947 0.02 1 741 167 74 ARG HA H 4.601 0.02 1 742 167 74 ARG HB2 H 1.846 0.02 2 743 167 74 ARG HB3 H 1.625 0.02 2 744 167 74 ARG HG2 H 1.029 0.02 2 745 167 74 ARG HG3 H 0.878 0.02 2 746 167 74 ARG HD2 H 2.824 0.02 2 747 167 74 ARG HD3 H 2.783 0.02 2 748 167 74 ARG CA C 53.45 0.4 1 749 167 74 ARG CB C 29.607 0.4 1 750 167 74 ARG CG C 27.684 0.4 1 751 167 74 ARG CD C 43.366 0.4 1 752 167 74 ARG N N 120.678 0.3 1 753 168 75 PRO HA H 4.551 0.02 1 754 168 75 PRO HB2 H 2.438 0.02 1 755 168 75 PRO HB3 H 1.961 0.02 1 756 168 75 PRO HG2 H 2.103 0.02 1 757 168 75 PRO HG3 H 1.973 0.02 1 758 168 75 PRO HD2 H 3.397 0.02 1 759 168 75 PRO HD3 H 3.638 0.02 1 760 168 75 PRO CA C 63.404 0.4 1 761 168 75 PRO CB C 32.269 0.4 1 762 168 75 PRO CG C 27.913 0.4 1 763 168 75 PRO CD C 49.924 0.4 1 764 169 76 VAL H H 8.613 0.02 1 765 169 76 VAL HA H 4.204 0.02 1 766 169 76 VAL HB H 1.992 0.02 1 767 169 76 VAL HG1 H 0.71 0.02 2 768 169 76 VAL HG2 H 0.716 0.02 2 769 169 76 VAL CA C 65.345 0.4 1 770 169 76 VAL CB C 32.039 0.4 1 771 169 76 VAL CG1 C 21.162 0.4 1 772 169 76 VAL CG2 C 21.29 0.4 1 773 169 76 VAL N N 119.149 0.3 1 774 170 77 ASP H H 8.165 0.02 1 775 170 77 ASP HA H 4.413 0.02 1 776 170 77 ASP HB2 H 2.427 0.02 1 777 170 77 ASP HB3 H 2.863 0.02 1 778 170 77 ASP CA C 54.201 0.4 1 779 170 77 ASP CB C 39.168 0.4 1 780 170 77 ASP N N 117.409 0.3 1 781 171 78 GLN H H 8.173 0.02 1 782 171 78 GLN HA H 4.072 0.02 1 783 171 78 GLN HB2 H 1.877 0.02 2 784 171 78 GLN HB3 H 1.711 0.02 2 785 171 78 GLN HG2 H 2.208 0.02 2 786 171 78 GLN HG3 H 2.193 0.02 2 787 171 78 GLN CA C 55.563 0.4 1 788 171 78 GLN CB C 27.212 0.4 1 789 171 78 GLN CG C 33.998 0.4 1 790 171 78 GLN N N 117.597 0.3 1 791 172 79 TYR H H 7.858 0.02 1 792 172 79 TYR HA H 4.804 0.02 1 793 172 79 TYR HB2 H 3.418 0.02 1 794 172 79 TYR HB3 H 2.975 0.02 1 795 172 79 TYR HD1 H 7.318 0.02 1 796 172 79 TYR HD2 H 7.318 0.02 1 797 172 79 TYR HE1 H 6.891 0.02 1 798 172 79 TYR HE2 H 6.891 0.02 1 799 172 79 TYR CA C 57.707 0.02 1 800 172 79 TYR CB C 41.662 0.02 1 801 172 79 TYR CD1 C 134.085 0.02 1 802 172 79 TYR CD2 C 134.085 0.4 1 803 172 79 TYR CE1 C 118.433 0.4 1 804 172 79 TYR CE2 C 118.433 0.4 1 805 172 79 TYR N N 117.326 0.3 1 806 173 80 ASN H H 9.057 0.02 1 807 173 80 ASN HA H 4.824 0.02 1 808 173 80 ASN HB2 H 2.904 0.02 2 809 173 80 ASN HB3 H 2.861 0.02 2 810 173 80 ASN HD21 H 7.609 0.02 2 811 173 80 ASN HD22 H 6.878 0.02 2 812 173 80 ASN CA C 52.887 0.4 1 813 173 80 ASN CB C 38.905 0.4 1 814 173 80 ASN N N 117.34 0.3 1 815 173 80 ASN ND2 N 112.286 0.3 1 816 174 81 ASN H H 7.573 0.02 1 817 174 81 ASN HA H 4.705 0.02 1 818 174 81 ASN HB2 H 3.135 0.02 2 819 174 81 ASN HB3 H 2.961 0.02 2 820 174 81 ASN HD21 H 7.63 0.02 2 821 174 81 ASN HD22 H 6.788 0.02 2 822 174 81 ASN CA C 52.187 0.4 1 823 174 81 ASN CB C 40.057 0.4 1 824 174 81 ASN N N 112.805 0.3 1 825 174 81 ASN ND2 N 112.756 0.3 1 826 175 82 GLN H H 8.564 0.02 1 827 175 82 GLN HA H 2.741 0.02 1 828 175 82 GLN HB2 H 1.629 0.02 1 829 175 82 GLN HB3 H 1.522 0.02 1 830 175 82 GLN HG2 H 1.796 0.02 2 831 175 82 GLN HG3 H 1.129 0.02 2 832 175 82 GLN HE21 H 7.303 0.02 1 833 175 82 GLN HE22 H 6.877 0.02 1 834 175 82 GLN CA C 58.547 0.4 1 835 175 82 GLN CB C 29.197 0.4 1 836 175 82 GLN CG C 33.449 0.4 1 837 175 82 GLN N N 119.524 0.3 1 838 175 82 GLN NE2 N 112.067 0.3 1 839 176 83 ASN H H 8.419 0.02 1 840 176 83 ASN HA H 4.225 0.02 1 841 176 83 ASN HB2 H 2.808 0.02 1 842 176 83 ASN HB3 H 2.687 0.02 1 843 176 83 ASN HD21 H 7.599 0.02 1 844 176 83 ASN HD22 H 6.955 0.02 1 845 176 83 ASN CA C 56.125 0.4 1 846 176 83 ASN CB C 37.513 0.4 1 847 176 83 ASN N N 116.688 0.3 1 848 176 83 ASN ND2 N 112.789 0.3 1 849 177 84 THR H H 8.312 0.02 1 850 177 84 THR HA H 4.056 0.02 1 851 177 84 THR HB H 4.389 0.02 1 852 177 84 THR HG2 H 1.541 0.02 1 853 177 84 THR CA C 65.599 0.4 1 854 177 84 THR CB C 68.183 0.4 1 855 177 84 THR CG2 C 22.876 0.4 1 856 177 84 THR N N 114.585 0.3 1 857 178 85 PHE H H 7.028 0.02 1 858 178 85 PHE HA H 3.954 0.02 1 859 178 85 PHE HB2 H 2.792 0.02 1 860 178 85 PHE HB3 H 2.916 0.02 1 861 178 85 PHE HD1 H 7.822 0.02 1 862 178 85 PHE HD2 H 7.822 0.02 1 863 178 85 PHE HE1 H 6.725 0.02 1 864 178 85 PHE HE2 H 6.725 0.02 1 865 178 85 PHE CA C 60.767 0.4 1 866 178 85 PHE CB C 38.517 0.4 1 867 178 85 PHE CD1 C 132.112 0.4 1 868 178 85 PHE CD2 C 132.112 0.4 1 869 178 85 PHE CE1 C 128.889 0.4 1 870 178 85 PHE CE2 C 128.889 0.4 1 871 178 85 PHE N N 123.381 0.3 1 872 179 86 VAL H H 8.827 0.02 1 873 179 86 VAL HA H 3.393 0.02 1 874 179 86 VAL HB H 2.195 0.02 1 875 179 86 VAL HG1 H 1.018 0.02 1 876 179 86 VAL HG2 H 1.048 0.02 1 877 179 86 VAL CA C 67.365 0.4 1 878 179 86 VAL CB C 31.785 0.4 1 879 179 86 VAL CG1 C 21.611 0.4 1 880 179 86 VAL CG2 C 24.694 0.4 1 881 179 86 VAL N N 119.961 0.3 1 882 180 87 HIS H H 8.263 0.02 1 883 180 87 HIS HA H 4.265 0.02 1 884 180 87 HIS HB2 H 3.347 0.02 1 885 180 87 HIS HB3 H 3.347 0.02 1 886 180 87 HIS HD2 H 7.335 0.02 1 887 180 87 HIS HE1 H 8.511 0.02 1 888 180 87 HIS CA C 59.34 0.4 1 889 180 87 HIS CB C 27.995 0.4 1 890 180 87 HIS CD2 C 120.475 0.4 1 891 180 87 HIS CE1 C 136.666 0.4 1 892 180 87 HIS N N 117.064 0.3 1 893 181 88 ASP H H 7.588 0.02 1 894 181 88 ASP HA H 4.521 0.02 1 895 181 88 ASP HB2 H 2.879 0.02 2 896 181 88 ASP HB3 H 2.966 0.02 2 897 181 88 ASP CA C 57.008 0.4 1 898 181 88 ASP CB C 40.697 0.4 1 899 181 88 ASP N N 118.923 0.3 1 900 182 89 CYS H H 8.073 0.02 1 901 182 89 CYS HA H 4.676 0.02 1 902 182 89 CYS HB2 H 3.202 0.02 2 903 182 89 CYS HB3 H 2.901 0.02 2 904 182 89 CYS CA C 58.457 0.4 1 905 182 89 CYS CB C 40.826 0.4 1 906 182 89 CYS N N 119.561 0.3 1 907 183 90 VAL H H 9.22 0.02 1 908 183 90 VAL HA H 3.672 0.02 1 909 183 90 VAL HB H 2.12 0.02 1 910 183 90 VAL HG1 H 0.937 0.02 1 911 183 90 VAL HG2 H 1.046 0.02 1 912 183 90 VAL CA C 66.002 0.4 1 913 183 90 VAL CB C 31.753 0.4 1 914 183 90 VAL CG1 C 20.933 0.4 1 915 183 90 VAL CG2 C 23.219 0.4 1 916 183 90 VAL N N 124.474 0.3 1 917 184 91 ASN H H 7.647 0.02 1 918 184 91 ASN HA H 4.317 0.02 1 919 184 91 ASN HB2 H 2.796 0.02 1 920 184 91 ASN HB3 H 2.744 0.02 1 921 184 91 ASN HD21 H 7.625 0.02 1 922 184 91 ASN HD22 H 6.737 0.02 1 923 184 91 ASN CA C 56.203 0.4 1 924 184 91 ASN CB C 38.685 0.4 1 925 184 91 ASN N N 116.558 0.3 1 926 184 91 ASN ND2 N 112.019 0.3 1 927 185 92 ILE H H 8.563 0.02 1 928 185 92 ILE HA H 3.728 0.02 1 929 185 92 ILE HB H 1.556 0.02 1 930 185 92 ILE HG12 H 0.815 0.02 1 931 185 92 ILE HG13 H 0.881 0.02 1 932 185 92 ILE HG2 H 0.228 0.02 1 933 185 92 ILE HD1 H 0.386 0.02 1 934 185 92 ILE CA C 62.057 0.4 1 935 185 92 ILE CB C 36.496 0.4 1 936 185 92 ILE CG1 C 27.488 0.4 1 937 185 92 ILE CG2 C 18.19 0.4 1 938 185 92 ILE CD1 C 11.113 0.4 1 939 185 92 ILE N N 117.916 0.3 1 940 186 93 THR H H 8.097 0.02 1 941 186 93 THR HA H 4.06 0.02 1 942 186 93 THR HB H 4.479 0.02 1 943 186 93 THR HG2 H 1.469 0.02 1 944 186 93 THR CA C 68.462 0.4 1 945 186 93 THR CB C 68.181 0.4 1 946 186 93 THR CG2 C 22.157 0.4 1 947 186 93 THR N N 118.02 0.3 1 948 187 94 VAL H H 8.754 0.02 1 949 187 94 VAL HA H 3.573 0.02 1 950 187 94 VAL HB H 2.256 0.02 1 951 187 94 VAL HG1 H 0.988 0.02 1 952 187 94 VAL HG2 H 0.887 0.02 1 953 187 94 VAL CA C 67.645 0.4 1 954 187 94 VAL CB C 31.247 0.4 1 955 187 94 VAL CG1 C 23.582 0.4 1 956 187 94 VAL CG2 C 20.915 0.4 1 957 187 94 VAL N N 121.055 0.3 1 958 188 95 LYS H H 7.79 0.02 1 959 188 95 LYS HA H 4.034 0.02 1 960 188 95 LYS HB2 H 1.866 0.02 1 961 188 95 LYS HB3 H 1.939 0.02 1 962 188 95 LYS HG2 H 1.389 0.02 1 963 188 95 LYS HG3 H 1.597 0.02 1 964 188 95 LYS HD2 H 1.667 0.02 2 965 188 95 LYS HD3 H 1.641 0.02 2 966 188 95 LYS HE2 H 2.892 0.02 2 967 188 95 LYS HE3 H 2.879 0.02 2 968 188 95 LYS CA C 59.738 0.4 1 969 188 95 LYS CB C 31.875 0.4 1 970 188 95 LYS CG C 24.915 0.4 1 971 188 95 LYS CD C 28.985 0.4 1 972 188 95 LYS CE C 41.773 0.4 1 973 188 95 LYS N N 121.439 0.3 1 974 189 96 GLN H H 8.497 0.02 1 975 189 96 GLN HA H 3.94 0.02 1 976 189 96 GLN HB2 H 1.987 0.02 1 977 189 96 GLN HB3 H 2.209 0.02 1 978 189 96 GLN HG2 H 2.435 0.02 2 979 189 96 GLN HG3 H 2.433 0.02 2 980 189 96 GLN HE21 H 6.682 0.02 1 981 189 96 GLN HE22 H 6.929 0.02 1 982 189 96 GLN CA C 58.786 0.4 1 983 189 96 GLN CB C 28.047 0.4 1 984 189 96 GLN CG C 33.548 0.4 1 985 189 96 GLN N N 117.122 0.3 1 986 189 96 GLN NE2 N 110.135 0.3 1 987 190 97 HIS H H 8.363 0.02 1 988 190 97 HIS HA H 4.574 0.02 1 989 190 97 HIS HB2 H 3.318 0.02 1 990 190 97 HIS HB3 H 3.198 0.02 1 991 190 97 HIS HD2 H 7.336 0.02 1 992 190 97 HIS HE1 H 8.511 0.02 1 993 190 97 HIS CA C 58.979 0.4 1 994 190 97 HIS CB C 30.988 0.4 1 995 190 97 HIS CD2 C 120.397 0.4 1 996 190 97 HIS CE1 C 136.58 0.4 1 997 190 97 HIS N N 119.145 0.3 1 998 191 98 THR H H 8.277 0.02 1 999 191 98 THR HA H 4.138 0.02 1 1000 191 98 THR HB H 4.408 0.02 1 1001 191 98 THR HG2 H 1.197 0.02 1 1002 191 98 THR CA C 65.352 0.4 1 1003 191 98 THR CB C 68.745 0.4 1 1004 191 98 THR CG2 C 21.306 0.4 1 1005 191 98 THR N N 113.52 0.3 1 1006 192 99 VAL H H 8.108 0.02 1 1007 192 99 VAL HA H 3.958 0.02 1 1008 192 99 VAL HB H 2.189 0.02 1 1009 192 99 VAL HG1 H 1.022 0.02 2 1010 192 99 VAL HG2 H 0.938 0.02 2 1011 192 99 VAL CA C 65.15 0.4 1 1012 192 99 VAL CB C 31.781 0.4 1 1013 192 99 VAL CG1 C 21.845 0.4 1 1014 192 99 VAL CG2 C 21.002 0.4 1 1015 192 99 VAL N N 122.721 0.3 1 1016 193 100 THR H H 8.199 0.02 1 1017 193 100 THR HA H 4.196 0.02 1 1018 193 100 THR HB H 4.277 0.02 1 1019 193 100 THR HG2 H 1.259 0.02 1 1020 193 100 THR CA C 63.912 0.4 1 1021 193 100 THR CB C 68.935 0.4 1 1022 193 100 THR CG2 C 21.453 0.4 1 1023 193 100 THR N N 115.284 0.3 1 1024 194 101 THR H H 7.978 0.02 1 1025 194 101 THR HA H 4.116 0.02 1 1026 194 101 THR HB H 4.103 0.02 1 1027 194 101 THR HG2 H 0.944 0.02 1 1028 194 101 THR CA C 64.221 0.4 1 1029 194 101 THR CB C 68.72 0.4 1 1030 194 101 THR CG2 C 20.947 0.4 1 1031 194 101 THR N N 114.831 0.3 1 1032 195 102 THR H H 8.166 0.02 1 1033 195 102 THR HA H 4.372 0.02 1 1034 195 102 THR HB H 4.339 0.02 1 1035 195 102 THR HG2 H 1.287 0.02 1 1036 195 102 THR CA C 64.347 0.4 1 1037 195 102 THR CB C 68.911 0.4 1 1038 195 102 THR CG2 C 21.267 0.4 1 1039 195 102 THR N N 117.709 0.3 1 1040 196 103 THR H H 7.856 0.02 1 1041 196 103 THR HA H 4.167 0.02 1 1042 196 103 THR HB H 4.239 0.02 1 1043 196 103 THR HG2 H 1.284 0.02 1 1044 196 103 THR CA C 64.301 0.4 1 1045 196 103 THR CB C 69.021 0.4 1 1046 196 103 THR CG2 C 21.302 0.4 1 1047 196 103 THR N N 116.348 0.3 1 1048 197 104 LYS H H 7.546 0.02 1 1049 197 104 LYS HA H 4.316 0.02 1 1050 197 104 LYS HB2 H 1.979 0.02 1 1051 197 104 LYS HB3 H 1.795 0.02 1 1052 197 104 LYS HG2 H 1.473 0.02 1 1053 197 104 LYS HG3 H 1.405 0.02 1 1054 197 104 LYS HD2 H 1.661 0.02 2 1055 197 104 LYS HD3 H 1.629 0.02 2 1056 197 104 LYS HE2 H 2.973 0.02 2 1057 197 104 LYS HE3 H 2.933 0.02 2 1058 197 104 LYS CA C 56.146 0.4 1 1059 197 104 LYS CB C 32.396 0.4 1 1060 197 104 LYS CG C 24.571 0.4 1 1061 197 104 LYS CD C 28.99 0.4 1 1062 197 104 LYS CE C 41.69 0.4 1 1063 197 104 LYS N N 120.078 0.3 1 1064 198 105 GLY H H 7.939 0.02 1 1065 198 105 GLY HA2 H 4.132 0.02 2 1066 198 105 GLY HA3 H 3.727 0.02 2 1067 198 105 GLY CA C 45.301 0.4 1 1068 198 105 GLY N N 108 0.3 1 1069 199 106 GLU H H 7.502 0.02 1 1070 199 106 GLU HA H 4.222 0.02 1 1071 199 106 GLU HB2 H 1.591 0.02 2 1072 199 106 GLU HB3 H 1.556 0.02 2 1073 199 106 GLU HG2 H 2.062 0.02 2 1074 199 106 GLU HG3 H 2.062 0.02 2 1075 199 106 GLU CA C 55.796 0.4 1 1076 199 106 GLU CB C 30.628 0.4 1 1077 199 106 GLU CG C 35.642 0.4 1 1078 199 106 GLU N N 120.19 0.3 1 1079 200 107 ASN H H 8.471 0.02 1 1080 200 107 ASN HA H 4.665 0.02 1 1081 200 107 ASN HB2 H 2.641 0.02 1 1082 200 107 ASN HB3 H 2.58 0.02 1 1083 200 107 ASN HD21 H 7.553 0.02 1 1084 200 107 ASN HD22 H 6.788 0.02 1 1085 200 107 ASN CA C 52.568 0.4 1 1086 200 107 ASN CB C 40.311 0.4 1 1087 200 107 ASN N N 119.232 0.3 1 1088 200 107 ASN ND2 N 113.274 0.3 1 1089 201 108 PHE H H 8.655 0.02 1 1090 201 108 PHE HA H 5.282 0.02 1 1091 201 108 PHE HB2 H 3.144 0.02 1 1092 201 108 PHE HB3 H 2.94 0.02 1 1093 201 108 PHE HD1 H 7.303 0.02 1 1094 201 108 PHE HD2 H 7.303 0.02 1 1095 201 108 PHE HE1 H 7.448 0.02 1 1096 201 108 PHE HE2 H 7.448 0.02 1 1097 201 108 PHE CA C 56.298 0.4 1 1098 201 108 PHE CB C 40.011 0.4 1 1099 201 108 PHE CD1 C 131.36 0.4 1 1100 201 108 PHE CD2 C 131.36 0.4 1 1101 201 108 PHE CE1 C 130.01 0.4 1 1102 201 108 PHE CE2 C 130.01 0.4 1 1103 201 108 PHE N N 121.685 0.3 1 1104 202 109 THR H H 9.534 0.02 1 1105 202 109 THR HA H 4.6 0.02 1 1106 202 109 THR HB H 4.814 0.02 1 1107 202 109 THR HG2 H 1.408 0.02 1 1108 202 109 THR CA C 60.19 0.4 1 1109 202 109 THR CB C 71.855 0.4 1 1110 202 109 THR CG2 C 21.467 0.4 1 1111 202 109 THR N N 115.547 0.3 1 1112 203 110 GLU H H 9.132 0.02 1 1113 203 110 GLU HA H 4.031 0.02 1 1114 203 110 GLU HB2 H 2.099 0.02 1 1115 203 110 GLU HB3 H 2.053 0.02 1 1116 203 110 GLU HG2 H 2.319 0.02 1 1117 203 110 GLU HG3 H 2.388 0.02 1 1118 203 110 GLU CA C 59.71 0.4 1 1119 203 110 GLU CB C 28.698 0.4 1 1120 203 110 GLU CG C 35.837 0.4 1 1121 203 110 GLU N N 119.726 0.3 1 1122 204 111 THR H H 7.947 0.02 1 1123 204 111 THR HA H 3.787 0.02 1 1124 204 111 THR HB H 3.711 0.02 1 1125 204 111 THR HG2 H 0.696 0.02 1 1126 204 111 THR CA C 66.637 0.4 1 1127 204 111 THR CB C 68.416 0.4 1 1128 204 111 THR CG2 C 20.788 0.4 1 1129 204 111 THR N N 116.458 0.3 1 1130 205 112 ASP H H 7.504 0.02 1 1131 205 112 ASP HA H 4.562 0.02 1 1132 205 112 ASP HB2 H 2.594 0.02 1 1133 205 112 ASP HB3 H 3.336 0.02 1 1134 205 112 ASP CA C 57.843 0.4 1 1135 205 112 ASP CB C 41.516 0.4 1 1136 205 112 ASP N N 120.048 0.3 1 1137 206 113 ILE H H 8.159 0.02 1 1138 206 113 ILE HA H 3.384 0.02 1 1139 206 113 ILE HB H 1.95 0.02 1 1140 206 113 ILE HG12 H 1.532 0.02 1 1141 206 113 ILE HG13 H 1.248 0.02 1 1142 206 113 ILE HG2 H 0.813 0.02 1 1143 206 113 ILE HD1 H 0.701 0.02 1 1144 206 113 ILE CA C 64.531 0.4 1 1145 206 113 ILE CB C 36.55 0.4 1 1146 206 113 ILE CG1 C 28.353 0.4 1 1147 206 113 ILE CG2 C 16.935 0.4 1 1148 206 113 ILE CD1 C 11.154 0.4 1 1149 206 113 ILE N N 119.306 0.3 1 1150 207 114 LYS H H 7.685 0.02 1 1151 207 114 LYS HA H 4.062 0.02 1 1152 207 114 LYS HB2 H 1.938 0.02 1 1153 207 114 LYS HB3 H 1.84 0.02 1 1154 207 114 LYS HG2 H 1.368 0.02 2 1155 207 114 LYS HG3 H 1.394 0.02 2 1156 207 114 LYS HD2 H 1.624 0.02 2 1157 207 114 LYS HD3 H 1.658 0.02 2 1158 207 114 LYS HE2 H 2.949 0.02 2 1159 207 114 LYS HE3 H 2.887 0.02 2 1160 207 114 LYS CA C 59.163 0.4 1 1161 207 114 LYS CB C 32.014 0.4 1 1162 207 114 LYS CG C 24.718 0.4 1 1163 207 114 LYS CD C 28.955 0.4 1 1164 207 114 LYS CE C 41.711 0.4 1 1165 207 114 LYS N N 119.313 0.3 1 1166 208 115 MET H H 8.201 0.02 1 1167 208 115 MET HA H 4.099 0.02 1 1168 208 115 MET HB2 H 1.931 0.02 1 1169 208 115 MET HB3 H 2.007 0.02 1 1170 208 115 MET HG2 H 2.306 0.02 1 1171 208 115 MET HG3 H 2.965 0.02 1 1172 208 115 MET HE H 1.464 0.02 1 1173 208 115 MET CA C 59.694 0.4 1 1174 208 115 MET CB C 32.676 0.4 1 1175 208 115 MET CG C 33.901 0.4 1 1176 208 115 MET CE C 18.039 0.4 1 1177 208 115 MET N N 118.46 0.3 1 1178 209 116 MET H H 8.702 0.02 1 1179 209 116 MET HA H 3.504 0.02 1 1180 209 116 MET HB2 H 2.304 0.02 1 1181 209 116 MET HB3 H 1.673 0.02 1 1182 209 116 MET HG2 H 1.611 0.02 1 1183 209 116 MET HG3 H 1.873 0.02 1 1184 209 116 MET HE H 1.4 0.02 1 1185 209 116 MET CA C 59.342 0.4 1 1186 209 116 MET CB C 33.523 0.4 1 1187 209 116 MET CG C 32.233 0.4 1 1188 209 116 MET CE C 15.986 0.4 1 1189 209 116 MET N N 118.535 0.3 1 1190 210 117 GLU H H 8.56 0.02 1 1191 210 117 GLU HA H 3.597 0.02 1 1192 210 117 GLU HB2 H 2.129 0.02 1 1193 210 117 GLU HB3 H 1.982 0.02 1 1194 210 117 GLU HG2 H 2.573 0.02 1 1195 210 117 GLU HG3 H 2.143 0.02 1 1196 210 117 GLU CA C 60.385 0.4 1 1197 210 117 GLU CB C 28.776 0.4 1 1198 210 117 GLU CG C 35.867 0.4 1 1199 210 117 GLU N N 118.17 0.3 1 1200 211 118 ARG H H 7.398 0.02 1 1201 211 118 ARG HA H 4.171 0.02 1 1202 211 118 ARG HB2 H 1.895 0.02 1 1203 211 118 ARG HB3 H 2.096 0.02 1 1204 211 118 ARG HG2 H 1.791 0.02 2 1205 211 118 ARG HG3 H 1.715 0.02 2 1206 211 118 ARG HD2 H 3.116 0.02 2 1207 211 118 ARG HD3 H 3.2 0.02 2 1208 211 118 ARG CA C 58.373 0.4 1 1209 211 118 ARG CB C 29.68 0.4 1 1210 211 118 ARG CG C 26.741 0.4 1 1211 211 118 ARG CD C 42.307 0.4 1 1212 211 118 ARG N N 117.43 0.3 1 1213 212 119 VAL H H 8.302 0.02 1 1214 212 119 VAL HA H 3.806 0.02 1 1215 212 119 VAL HB H 1.871 0.02 1 1216 212 119 VAL HG1 H 1.283 0.02 1 1217 212 119 VAL HG2 H 1.266 0.02 1 1218 212 119 VAL CA C 65.626 0.4 1 1219 212 119 VAL CB C 31.991 0.4 1 1220 212 119 VAL CG1 C 24.067 0.4 1 1221 212 119 VAL CG2 C 20.602 0.4 1 1222 212 119 VAL N N 119.494 0.3 1 1223 213 120 VAL H H 8.987 0.02 1 1224 213 120 VAL HA H 3.61 0.02 1 1225 213 120 VAL HB H 2.201 0.02 1 1226 213 120 VAL HG1 H 1.202 0.02 1 1227 213 120 VAL HG2 H 0.914 0.02 1 1228 213 120 VAL CA C 66.272 0.4 1 1229 213 120 VAL CB C 30.804 0.4 1 1230 213 120 VAL CG1 C 24.896 0.4 1 1231 213 120 VAL CG2 C 24.307 0.4 1 1232 213 120 VAL N N 121.732 0.3 1 1233 214 121 GLU H H 8.189 0.02 1 1234 214 121 GLU HA H 3.541 0.02 1 1235 214 121 GLU HB2 H 2.214 0.02 2 1236 214 121 GLU HB3 H 1.988 0.02 2 1237 214 121 GLU HG2 H 2.583 0.02 2 1238 214 121 GLU HG3 H 2.567 0.02 2 1239 214 121 GLU CA C 60.863 0.4 1 1240 214 121 GLU CB C 28.657 0.4 1 1241 214 121 GLU CG C 35.888 0.4 1 1242 214 121 GLU N N 121.232 0.3 1 1243 215 122 GLN H H 7.046 0.02 1 1244 215 122 GLN HA H 4.024 0.02 1 1245 215 122 GLN HB2 H 2.205 0.02 1 1246 215 122 GLN HB3 H 2.098 0.02 1 1247 215 122 GLN HG2 H 2.45 0.02 1 1248 215 122 GLN HG3 H 2.355 0.02 1 1249 215 122 GLN HE21 H 7.629 0.02 1 1250 215 122 GLN HE22 H 6.857 0.02 1 1251 215 122 GLN CA C 57.542 0.4 1 1252 215 122 GLN CB C 27.745 0.4 1 1253 215 122 GLN CG C 33.632 0.4 1 1254 215 122 GLN N N 114.498 0.3 1 1255 215 122 GLN NE2 N 113.721 0.3 1 1256 216 123 MET H H 8.073 0.02 1 1257 216 123 MET HA H 4.131 0.02 1 1258 216 123 MET HB2 H 2.13 0.02 1 1259 216 123 MET HB3 H 2.144 0.02 1 1260 216 123 MET HG2 H 2.774 0.02 1 1261 216 123 MET HG3 H 2.444 0.02 1 1262 216 123 MET HE H 1.878 0.02 1 1263 216 123 MET CA C 59.704 0.4 1 1264 216 123 MET CB C 34.094 0.4 1 1265 216 123 MET CG C 32.26 0.4 1 1266 216 123 MET CE C 16.616 0.4 1 1267 216 123 MET N N 119.561 0.3 1 1268 217 124 CYS H H 9.327 0.02 1 1269 217 124 CYS HA H 4.349 0.02 1 1270 217 124 CYS HB2 H 3.523 0.02 1 1271 217 124 CYS HB3 H 2.824 0.02 1 1272 217 124 CYS CA C 59.859 0.4 1 1273 217 124 CYS CB C 41.938 0.4 1 1274 217 124 CYS N N 119.497 0.3 1 1275 218 125 ILE H H 8.278 0.02 1 1276 218 125 ILE HA H 3.461 0.02 1 1277 218 125 ILE HB H 1.967 0.02 1 1278 218 125 ILE HG12 H 0.822 0.02 1 1279 218 125 ILE HG13 H 0.817 0.02 1 1280 218 125 ILE HG2 H 0.839 0.02 1 1281 218 125 ILE HD1 H 0.817 0.02 1 1282 218 125 ILE CA C 66.684 0.4 1 1283 218 125 ILE CB C 38.045 0.4 1 1284 218 125 ILE CG1 C 30.699 0.4 1 1285 218 125 ILE CG2 C 16.82 0.4 1 1286 218 125 ILE CD1 C 13.829 0.4 1 1287 218 125 ILE N N 123.691 0.3 1 1288 219 126 THR H H 8.015 0.02 1 1289 219 126 THR HA H 3.871 0.02 1 1290 219 126 THR HB H 4.282 0.02 1 1291 219 126 THR HG2 H 1.19 0.02 1 1292 219 126 THR CA C 66.908 0.4 1 1293 219 126 THR CB C 67.994 0.4 1 1294 219 126 THR CG2 C 21.82 0.4 1 1295 219 126 THR N N 118.228 0.3 1 1296 220 127 GLN H H 8.758 0.02 1 1297 220 127 GLN HA H 3.603 0.02 1 1298 220 127 GLN HB2 H 2.218 0.02 1 1299 220 127 GLN HB3 H 2.072 0.02 1 1300 220 127 GLN HG2 H 1.736 0.02 1 1301 220 127 GLN HG3 H 1.609 0.02 1 1302 220 127 GLN HE21 H 7.249 0.02 2 1303 220 127 GLN HE22 H 6.785 0.02 2 1304 220 127 GLN CA C 58.596 0.4 1 1305 220 127 GLN CB C 28.186 0.4 1 1306 220 127 GLN CG C 32.15 0.4 1 1307 220 127 GLN N N 122.481 0.3 1 1308 220 127 GLN NE2 N 115.098 0.3 1 1309 221 128 TYR H H 8.536 0.02 1 1310 221 128 TYR HA H 2.916 0.02 1 1311 221 128 TYR HB2 H 2.987 0.02 1 1312 221 128 TYR HB3 H 2.679 0.02 1 1313 221 128 TYR HD1 H 6.082 0.02 1 1314 221 128 TYR HD2 H 6.082 0.02 1 1315 221 128 TYR HE1 H 6.503 0.02 1 1316 221 128 TYR HE2 H 6.503 0.02 1 1317 221 128 TYR CA C 62.022 0.4 1 1318 221 128 TYR CB C 37.161 0.4 1 1319 221 128 TYR CD1 C 132.597 0.4 1 1320 221 128 TYR CD2 C 132.597 0.4 1 1321 221 128 TYR CE1 C 117.54 0.4 1 1322 221 128 TYR CE2 C 117.54 0.4 1 1323 221 128 TYR N N 120.264 0.3 1 1324 222 129 GLN H H 8.209 0.02 1 1325 222 129 GLN HA H 3.713 0.02 1 1326 222 129 GLN HB2 H 2.31 0.02 1 1327 222 129 GLN HB3 H 2.054 0.02 1 1328 222 129 GLN HG2 H 2.43 0.02 2 1329 222 129 GLN HG3 H 2.676 0.02 2 1330 222 129 GLN CA C 58.893 0.4 1 1331 222 129 GLN CB C 27.307 0.4 1 1332 222 129 GLN CG C 33.551 0.4 1 1333 222 129 GLN N N 119.812 0.3 1 1334 223 130 ARG H H 8.135 0.02 1 1335 223 130 ARG HA H 3.953 0.02 1 1336 223 130 ARG HB2 H 1.888 0.02 2 1337 223 130 ARG HB3 H 1.799 0.02 2 1338 223 130 ARG HG2 H 1.575 0.02 1 1339 223 130 ARG HG3 H 1.793 0.02 1 1340 223 130 ARG HD2 H 3.038 0.02 2 1341 223 130 ARG HD3 H 2.914 0.02 2 1342 223 130 ARG CA C 59.123 0.4 1 1343 223 130 ARG CB C 30.224 0.4 1 1344 223 130 ARG CG C 26.895 0.4 1 1345 223 130 ARG CD C 43.761 0.4 1 1346 223 130 ARG N N 119.232 0.3 1 1347 224 131 GLU H H 8.293 0.02 1 1348 224 131 GLU HA H 4.006 0.02 1 1349 224 131 GLU HB2 H 1.603 0.02 1 1350 224 131 GLU HB3 H 1.597 0.02 1 1351 224 131 GLU HG2 H 2.138 0.02 1 1352 224 131 GLU HG3 H 2.317 0.02 1 1353 224 131 GLU CA C 57.715 0.4 1 1354 224 131 GLU CB C 28.949 0.4 1 1355 224 131 GLU CG C 35.691 0.4 1 1356 224 131 GLU N N 117.588 0.3 1 1357 225 132 SER H H 8.215 0.02 1 1358 225 132 SER HA H 3.948 0.02 1 1359 225 132 SER HB2 H 3.582 0.02 2 1360 225 132 SER HB3 H 3.328 0.02 2 1361 225 132 SER CA C 60.845 0.4 1 1362 225 132 SER CB C 62.462 0.4 1 1363 225 132 SER N N 114.846 0.3 1 1364 226 133 GLN H H 7.622 0.02 1 1365 226 133 GLN HA H 4.107 0.02 1 1366 226 133 GLN HB2 H 2.068 0.02 1 1367 226 133 GLN HB3 H 2.053 0.02 1 1368 226 133 GLN HG2 H 2.43 0.02 1 1369 226 133 GLN HG3 H 2.305 0.02 1 1370 226 133 GLN HE21 H 7.444 0.02 1 1371 226 133 GLN HE22 H 6.789 0.02 1 1372 226 133 GLN CA C 57.535 0.4 1 1373 226 133 GLN CB C 28.238 0.4 1 1374 226 133 GLN CG C 33.649 0.4 1 1375 226 133 GLN N N 120.379 0.3 1 1376 226 133 GLN NE2 N 111.707 0.3 1 1377 227 134 ALA H H 7.605 0.02 1 1378 227 134 ALA HA H 4.145 0.02 1 1379 227 134 ALA HB H 1.346 0.02 1 1380 227 134 ALA CA C 53.531 0.4 1 1381 227 134 ALA CB C 18.347 0.4 1 1382 227 134 ALA N N 121.112 0.3 1 1383 228 135 TYR H H 7.888 0.02 1 1384 228 135 TYR HA H 4.236 0.02 1 1385 228 135 TYR HB2 H 2.913 0.02 1 1386 228 135 TYR HB3 H 2.795 0.02 1 1387 228 135 TYR HD1 H 6.751 0.02 1 1388 228 135 TYR HD2 H 6.75 0.02 1 1389 228 135 TYR HE1 H 6.818 0.02 1 1390 228 135 TYR HE2 H 6.818 0.02 1 1391 228 135 TYR CA C 59.519 0.4 1 1392 228 135 TYR CB C 38.553 0.4 1 1393 228 135 TYR CD1 C 132.91 0.4 1 1394 228 135 TYR CD2 C 132.899 0.4 1 1395 228 135 TYR CE1 C 118.081 0.4 1 1396 228 135 TYR CE2 C 118.081 0.4 1 1397 228 135 TYR N N 118.398 0.3 1 1398 229 136 TYR H H 7.834 0.02 1 1399 229 136 TYR HA H 4.378 0.02 1 1400 229 136 TYR HB2 H 2.919 0.02 1 1401 229 136 TYR HB3 H 3.082 0.02 1 1402 229 136 TYR HD1 H 7.142 0.02 1 1403 229 136 TYR HD2 H 7.142 0.02 1 1404 229 136 TYR HE1 H 6.811 0.02 1 1405 229 136 TYR HE2 H 6.811 0.02 1 1406 229 136 TYR CA C 58.515 0.4 1 1407 229 136 TYR CB C 38.171 0.4 1 1408 229 136 TYR CD1 C 133.184 0.4 1 1409 229 136 TYR CD2 C 133.184 0.4 1 1410 229 136 TYR CE1 C 118.007 0.4 1 1411 229 136 TYR CE2 C 118.007 0.4 1 1412 229 136 TYR N N 118.757 0.3 1 1413 230 137 GLN H H 7.904 0.02 1 1414 230 137 GLN HA H 4.215 0.02 1 1415 230 137 GLN HB2 H 2.083 0.02 1 1416 230 137 GLN HB3 H 1.976 0.02 1 1417 230 137 GLN HG2 H 2.305 0.02 1 1418 230 137 GLN HG3 H 2.31 0.02 1 1419 230 137 GLN HE21 H 6.815 0.02 1 1420 230 137 GLN HE22 H 7.465 0.02 1 1421 230 137 GLN CA C 55.858 0.4 1 1422 230 137 GLN CB C 28.914 0.4 1 1423 230 137 GLN CG C 33.689 0.4 1 1424 230 137 GLN N N 120.175 0.3 1 1425 230 137 GLN NE2 N 112.107 0.3 1 1426 231 138 ARG H H 8.009 0.02 1 1427 231 138 ARG HA H 4.252 0.02 1 1428 231 138 ARG HB2 H 1.837 0.02 2 1429 231 138 ARG HB3 H 1.768 0.02 2 1430 231 138 ARG HG2 H 1.631 0.02 2 1431 231 138 ARG HG3 H 1.597 0.02 2 1432 231 138 ARG HD2 H 3.131 0.02 2 1433 231 138 ARG HD3 H 3.134 0.02 2 1434 231 138 ARG CA C 56.403 0.4 1 1435 231 138 ARG CB C 30.541 0.4 1 1436 231 138 ARG CG C 26.938 0.4 1 1437 231 138 ARG CD C 43.189 0.4 1 1438 231 138 ARG N N 121.273 0.3 1 1439 232 139 GLY H H 8.308 0.02 1 1440 232 139 GLY HA2 H 3.807 0.02 2 1441 232 139 GLY HA3 H 3.801 0.02 2 1442 232 139 GLY CA C 45.032 0.4 1 1443 232 139 GLY N N 110.282 0.3 1 1444 233 140 ALA H H 7.799 0.02 1 1445 233 140 ALA HA H 4.096 0.02 1 1446 233 140 ALA HB H 1.292 0.02 1 1447 233 140 ALA CA C 53.437 0.4 1 1448 233 140 ALA CB C 19.905 0.4 1 1449 233 140 ALA N N 129.205 0.3 1 stop_ save_