data_18187 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the Get5 carboxyl domain from A. fumigatus ; _BMRB_accession_number 18187 _BMRB_flat_file_name bmr18187.str _Entry_type original _Submission_date 2012-01-08 _Accession_date 2012-01-08 _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 Chartron Justin W. . 2 VanderVelde David G. . 3 Rao Meera . . 4 Clemons William M. Jr. stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 378 "13C chemical shifts" 321 "15N chemical shifts" 75 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-05-10 update BMRB 'update entry citation' 2012-02-10 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18186 'Get5 carboxyl domain from S. cerevisiae' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The Get5 carboxyl terminal domain is a novel dimerization motif that tethers an extended Get4/Get5 complex.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22262836 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chartron Justin W. . 2 Vandervelde David G. . 3 Rao Meera . . 4 Clemons William M. Jr. stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 287 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 8310 _Page_last 8317 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Get5 carboxyl domain from A. fumigatus' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Get5, chain 1' $Get5 'Get5, chain 2' $Get5 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Get5 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Get5 _Molecular_mass 5285.887 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 75 _Mol_residue_sequence ; SVDVAVSAGAGERASAEQKE SYEPPKPAVGPSGESVVATE AFWDDLQGFLEQRLKDYDEA NKLRVLFKEAWRSSF ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 156 SER 2 157 VAL 3 158 ASP 4 159 VAL 5 160 ALA 6 161 VAL 7 162 SER 8 163 ALA 9 164 GLY 10 165 ALA 11 166 GLY 12 167 GLU 13 168 ARG 14 169 ALA 15 170 SER 16 171 ALA 17 172 GLU 18 173 GLN 19 174 LYS 20 175 GLU 21 176 SER 22 177 TYR 23 178 GLU 24 179 PRO 25 180 PRO 26 181 LYS 27 182 PRO 28 183 ALA 29 184 VAL 30 185 GLY 31 186 PRO 32 187 SER 33 188 GLY 34 189 GLU 35 190 SER 36 191 VAL 37 192 VAL 38 193 ALA 39 194 THR 40 195 GLU 41 196 ALA 42 197 PHE 43 198 TRP 44 199 ASP 45 200 ASP 46 201 LEU 47 202 GLN 48 203 GLY 49 204 PHE 50 205 LEU 51 206 GLU 52 207 GLN 53 208 ARG 54 209 LEU 55 210 LYS 56 211 ASP 57 212 TYR 58 213 ASP 59 214 GLU 60 215 ALA 61 216 ASN 62 217 LYS 63 218 LEU 64 219 ARG 65 220 VAL 66 221 LEU 67 222 PHE 68 223 LYS 69 224 GLU 70 225 ALA 71 226 TRP 72 227 ARG 73 228 SER 74 229 SER 75 230 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LO0 "Solution Structure Of The Get5 Carboxyl Domain From A. Fumigatus" 100.00 75 100.00 100.00 1.08e-44 GB EAL86127 "conserved hypothetical protein [Aspergillus fumigatus Af293]" 96.00 272 100.00 100.00 1.57e-42 GB EDP51028 "conserved hypothetical protein [Aspergillus fumigatus A1163]" 96.00 272 98.61 98.61 9.80e-42 GB KEY82654 "hypothetical protein BA78_6168 [Aspergillus fumigatus var. RP-2014]" 96.00 272 98.61 98.61 9.09e-42 GB KMK58944 "hypothetical protein Y699_00145 [Aspergillus fumigatus Z5]" 96.00 230 98.61 98.61 1.81e-41 REF XP_748165 "conserved hypothetical protein [Aspergillus fumigatus Af293]" 96.00 272 100.00 100.00 1.57e-42 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Get5 'Aspergillus fumigatus' 746128 Eukaryota Metazoa Aspergillus fumigatus 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 $Get5 'recombinant technology' . Escherichia coli . pET-33b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Get5 3.5 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type 'gel solution' _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Get5 2.5 mM '[U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' polyacrylamide 5 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '20 mM sodium phosphate, 0.02% sodium azide, 0.1 mg/ml trimethylsilyl propanoic acid' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Get5 2.5 mM '[U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Get5 4 mM 'natural abundance' $Get5 2 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRPipe _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_Analysis _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_PINE _Saveframe_category software _Name PINE _Version . loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version 2.3 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_REDCAT _Saveframe_category software _Name REDCAT _Version . loop_ _Vendor _Address _Electronic_address Prestegard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.21 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _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_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _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_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _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_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_2D_1H-1H_NOESY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_4 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' 50 . mM pH 6.1 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.773 internal indirect . . . 0.2551449530 water H 1 protons ppm 4.773 internal direct . . . 1 water N 15 protons ppm 4.773 internal 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HCCH-TOCSY' '2D 1H-13C HSQC' '2D 1H-13C HSQC aromatic' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D 1H-15N TOCSY' '3D HBHA(CO)NH' '3D H(CCO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Get5, chain 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 1 157 2 VAL HA H 4.212 0.004 1 2 157 2 VAL HB H 2.09 0.004 1 3 157 2 VAL HG2 H 0.95 0.004 1 4 157 2 VAL C C 175.51 0.002 1 5 157 2 VAL CA C 62.256 0.046 1 6 157 2 VAL CB C 32.791 0.083 1 7 157 2 VAL CG1 C 21.106 0.05 2 8 157 2 VAL CG2 C 20.232 0.05 2 9 158 3 ASP H H 8.459 0.003 1 10 158 3 ASP HA H 4.65 0.006 1 11 158 3 ASP HB2 H 2.699 0.006 2 12 158 3 ASP HB3 H 2.553 0.019 2 13 158 3 ASP C C 176.159 0.015 1 14 158 3 ASP CA C 54.338 0.044 1 15 158 3 ASP CB C 41.364 0.012 1 16 158 3 ASP N N 124.622 0.046 1 17 159 4 VAL H H 8.105 0.002 1 18 159 4 VAL HA H 4.1 0.001 1 19 159 4 VAL HB H 2.104 0.011 1 20 159 4 VAL HG2 H 0.94 0.004 1 21 159 4 VAL C C 175.809 0.011 1 22 159 4 VAL CA C 62.224 0.059 1 23 159 4 VAL CB C 32.793 0.018 1 24 159 4 VAL CG1 C 20.295 0.05 2 25 159 4 VAL CG2 C 21.157 0.05 2 26 159 4 VAL N N 120.675 0.06 1 27 160 5 ALA H H 8.386 0.003 1 28 160 5 ALA HA H 4.345 0.008 1 29 160 5 ALA HB H 1.384 0.004 1 30 160 5 ALA C C 177.88 0.001 1 31 160 5 ALA CA C 52.553 0.048 1 32 160 5 ALA CB C 19.206 0.022 1 33 160 5 ALA N N 127.491 0.043 1 34 161 6 VAL H H 8.091 0.002 1 35 161 6 VAL HA H 4.118 0.007 1 36 161 6 VAL HB H 2.103 0.004 1 37 161 6 VAL HG2 H 0.955 0.006 1 38 161 6 VAL C C 176.39 0.021 1 39 161 6 VAL CA C 62.353 0.074 1 40 161 6 VAL CB C 32.851 0.018 1 41 161 6 VAL CG1 C 21.184 0.05 2 42 161 6 VAL CG2 C 20.407 0.05 2 43 161 6 VAL N N 119.395 0.057 1 44 162 7 SER H H 8.328 0.002 1 45 162 7 SER HA H 4.44 0.002 1 46 162 7 SER HB3 H 3.866 0.002 1 47 162 7 SER C C 174.399 0.002 1 48 162 7 SER CA C 58.202 0.091 1 49 162 7 SER CB C 63.827 0.068 1 50 162 7 SER N N 119.208 0.048 1 51 163 8 ALA H H 8.391 0.002 1 52 163 8 ALA HA H 4.35 0.006 1 53 163 8 ALA HB H 1.405 0.001 1 54 163 8 ALA C C 178.257 0.002 1 55 163 8 ALA CA C 52.811 0.07 1 56 163 8 ALA CB C 19.242 0.032 1 57 163 8 ALA N N 126.394 0.063 1 58 164 9 GLY H H 8.388 0.002 1 59 164 9 GLY HA3 H 3.947 0.01 1 60 164 9 GLY C C 174.142 0.009 1 61 164 9 GLY CA C 45.363 0.027 1 62 164 9 GLY N N 108.263 0.044 1 63 165 10 ALA H H 8.225 0.004 1 64 165 10 ALA HA H 4.326 0.005 1 65 165 10 ALA HB H 1.404 0.005 1 66 165 10 ALA C C 178.468 0.003 1 67 165 10 ALA CA C 52.876 0.06 1 68 165 10 ALA CB C 19.265 0.032 1 69 165 10 ALA N N 123.793 0.062 1 70 166 11 GLY H H 8.431 0.003 1 71 166 11 GLY HA3 H 3.918 0.003 1 72 166 11 GLY C C 174.235 0.05 1 73 166 11 GLY CA C 45.828 0.035 1 74 166 11 GLY N N 108.116 0.11 1 75 167 12 GLU H H 8.433 0.003 1 76 167 12 GLU HA H 4.268 0.007 1 77 167 12 GLU C C 176.785 0.015 1 78 167 12 GLU CA C 56.85 0.083 1 79 167 12 GLU CB C 30.31 0.063 1 80 167 12 GLU CG C 36.296 0.05 1 81 167 12 GLU N N 120.703 0.052 1 82 168 13 ARG H H 8.367 0.002 1 83 168 13 ARG HA H 4.329 0.004 1 84 168 13 ARG HB3 H 1.874 0.004 1 85 168 13 ARG HG3 H 1.653 0.004 1 86 168 13 ARG HD3 H 3.201 0.006 1 87 168 13 ARG C C 176.189 0.008 1 88 168 13 ARG CA C 56.158 0.05 1 89 168 13 ARG CB C 30.754 0.005 1 90 168 13 ARG CG C 27.042 0.05 1 91 168 13 ARG CD C 43.369 0.088 1 92 168 13 ARG N N 121.815 0.032 1 93 169 14 ALA H H 8.333 0.002 1 94 169 14 ALA HA H 4.33 0.003 1 95 169 14 ALA HB H 1.402 0.005 1 96 169 14 ALA C C 177.994 0.005 1 97 169 14 ALA CA C 52.753 0.069 1 98 169 14 ALA CB C 19.23 0.029 1 99 169 14 ALA N N 125.167 0.043 1 100 170 15 SER H H 8.277 0.002 1 101 170 15 SER HA H 4.409 0.005 1 102 170 15 SER HB3 H 3.892 0.004 1 103 170 15 SER C C 174.64 0.002 1 104 170 15 SER CA C 58.441 0.07 1 105 170 15 SER CB C 63.823 0.054 1 106 170 15 SER N N 115.108 0.052 1 107 171 16 ALA H H 8.343 0.002 1 108 171 16 ALA HA H 4.328 0.001 1 109 171 16 ALA HB H 1.406 0.005 1 110 171 16 ALA C C 177.861 0.004 1 111 171 16 ALA CA C 52.844 0.057 1 112 171 16 ALA CB C 19.235 0.044 1 113 171 16 ALA N N 125.701 0.027 1 114 172 17 GLU H H 8.304 0.002 1 115 172 17 GLU HA H 4.226 0.007 1 116 172 17 GLU HB2 H 2.042 0.004 2 117 172 17 GLU HB3 H 1.939 0.004 2 118 172 17 GLU HG3 H 2.257 0.012 1 119 172 17 GLU C C 176.537 0.021 1 120 172 17 GLU CA C 56.818 0.034 1 121 172 17 GLU CB C 30.238 0.014 1 122 172 17 GLU CG C 36.344 0.038 1 123 172 17 GLU N N 119.404 0.046 1 124 173 18 GLN H H 8.305 0.002 1 125 173 18 GLN HA H 4.337 0.004 1 126 173 18 GLN HB2 H 2.016 0.004 2 127 173 18 GLN HB3 H 2.117 0.004 2 128 173 18 GLN HG3 H 2.366 0.004 1 129 173 18 GLN HE21 H 7.541 0.004 1 130 173 18 GLN HE22 H 6.842 0.004 1 131 173 18 GLN C C 175.869 0.004 1 132 173 18 GLN CA C 55.809 0.07 1 133 173 18 GLN CB C 29.318 0.012 1 134 173 18 GLN CG C 33.825 0.024 1 135 173 18 GLN N N 121.529 0.036 1 136 173 18 GLN NE2 N 112.402 0.001 1 137 174 19 LYS H H 8.329 0.001 1 138 174 19 LYS HA H 4.322 0.006 1 139 174 19 LYS HB2 H 1.845 0.015 2 140 174 19 LYS HB3 H 1.762 0.007 2 141 174 19 LYS HG3 H 1.441 0.012 1 142 174 19 LYS HE3 H 2.998 0.001 1 143 174 19 LYS C C 176.613 0.008 1 144 174 19 LYS CA C 56.386 0.071 1 145 174 19 LYS CB C 33.265 0.052 1 146 174 19 LYS CG C 24.639 0.028 1 147 174 19 LYS CD C 28.935 0.05 1 148 174 19 LYS CE C 42.213 0.05 1 149 174 19 LYS N N 122.956 0.046 1 150 175 20 GLU H H 8.514 0.003 1 151 175 20 GLU HA H 4.284 0.008 1 152 175 20 GLU HB2 H 2.049 0.004 2 153 175 20 GLU HB3 H 1.951 0.004 2 154 175 20 GLU HG3 H 2.275 0.004 1 155 175 20 GLU C C 176.365 0.005 1 156 175 20 GLU CA C 56.789 0.122 1 157 175 20 GLU CB C 30.252 0.004 1 158 175 20 GLU CG C 36.269 0.05 1 159 175 20 GLU N N 121.874 0.042 1 160 176 21 SER H H 8.278 0.002 1 161 176 21 SER HA H 4.427 0.003 1 162 176 21 SER HB3 H 3.827 0.002 1 163 176 21 SER C C 173.851 0.005 1 164 176 21 SER CA C 58.104 0.039 1 165 176 21 SER CB C 63.884 0.076 1 166 176 21 SER N N 116.411 0.049 1 167 177 22 TYR H H 8.216 0.002 1 168 177 22 TYR HA H 4.587 0.006 1 169 177 22 TYR HB2 H 3.109 0.004 2 170 177 22 TYR HB3 H 2.98 0.005 2 171 177 22 TYR HD1 H 7.101 0.004 3 172 177 22 TYR HD2 H 7.101 0.004 3 173 177 22 TYR HE1 H 6.794 0.004 3 174 177 22 TYR HE2 H 6.794 0.004 3 175 177 22 TYR C C 174.979 0.003 1 176 177 22 TYR CA C 57.802 0.075 1 177 177 22 TYR CB C 39.068 0.045 1 178 177 22 TYR CD1 C 133.253 0.05 3 179 177 22 TYR CD2 C 133.253 0.05 3 180 177 22 TYR CE1 C 118.129 0.05 3 181 177 22 TYR CE2 C 118.129 0.05 3 182 177 22 TYR N N 122.709 0.064 1 183 178 23 GLU H H 8.047 0.002 1 184 178 23 GLU HA H 4.572 0.004 1 185 178 23 GLU HB2 H 1.917 0.011 2 186 178 23 GLU HB3 H 1.8 0.007 2 187 178 23 GLU HG3 H 2.204 0.004 1 188 178 23 GLU C C 173.149 0.05 1 189 178 23 GLU CA C 53.428 0.07 1 190 178 23 GLU CB C 30.551 0.05 1 191 178 23 GLU N N 125.637 0.055 1 192 179 24 PRO HA H 4.594 0.003 1 193 179 24 PRO HB2 H 2.377 0.001 2 194 179 24 PRO HB3 H 1.917 0.004 2 195 179 24 PRO HG3 H 2.039 0.004 1 196 179 24 PRO HD2 H 3.65 0.004 2 197 179 24 PRO HD3 H 3.684 0.004 2 198 179 24 PRO CA C 61.315 0.025 1 199 179 24 PRO CB C 30.82 0.05 1 200 179 24 PRO CG C 27.236 0.05 1 201 179 24 PRO CD C 50.666 0.05 1 202 180 25 PRO HA H 4.413 0.006 1 203 180 25 PRO HB2 H 2.301 0.004 2 204 180 25 PRO HB3 H 1.885 0.014 2 205 180 25 PRO HG3 H 2.043 0.001 1 206 180 25 PRO HD2 H 3.843 0.005 2 207 180 25 PRO HD3 H 3.651 0.004 2 208 180 25 PRO C C 176.659 0.001 1 209 180 25 PRO CA C 62.841 0.085 1 210 180 25 PRO CB C 32.155 0.05 1 211 180 25 PRO CG C 27.334 0.012 1 212 180 25 PRO CD C 50.567 0.058 1 213 181 26 LYS H H 8.407 0.003 1 214 181 26 LYS HA H 4.595 0.001 1 215 181 26 LYS HB2 H 1.714 0.012 2 216 181 26 LYS HB3 H 1.844 0.009 2 217 181 26 LYS HG2 H 1.527 0.004 2 218 181 26 LYS HG3 H 1.496 0.004 2 219 181 26 LYS HD3 H 1.713 0.004 1 220 181 26 LYS HE3 H 3.016 0.005 1 221 181 26 LYS C C 174.66 0.05 1 222 181 26 LYS CA C 54.117 0.048 1 223 181 26 LYS CB C 32.372 0.031 1 224 181 26 LYS CG C 24.601 0.05 1 225 181 26 LYS CD C 29.077 0.05 1 226 181 26 LYS CE C 42.181 0.05 1 227 181 26 LYS N N 122.926 0.053 1 228 182 27 PRO HA H 4.41 0.004 1 229 182 27 PRO HB2 H 2.306 0.002 2 230 182 27 PRO HB3 H 1.902 0.003 2 231 182 27 PRO HD3 H 3.841 0.004 1 232 182 27 PRO C C 176.489 0.004 1 233 182 27 PRO CA C 62.97 0.05 1 234 182 27 PRO CB C 32.138 0.056 1 235 182 27 PRO CD C 50.582 0.05 1 236 183 28 ALA H H 8.438 0.003 1 237 183 28 ALA HA H 4.349 0.003 1 238 183 28 ALA HB H 1.396 0.001 1 239 183 28 ALA C C 177.674 0.015 1 240 183 28 ALA CA C 52.387 0.075 1 241 183 28 ALA CB C 19.234 0.022 1 242 183 28 ALA N N 124.907 0.046 1 243 184 29 VAL H H 8.12 0.002 1 244 184 29 VAL HA H 4.216 0.001 1 245 184 29 VAL HB H 2.095 0.004 1 246 184 29 VAL HG2 H 0.956 0.004 1 247 184 29 VAL C C 176.291 0.046 1 248 184 29 VAL CA C 61.935 0.028 1 249 184 29 VAL CB C 33.222 0.034 1 250 184 29 VAL CG2 C 21.158 0.037 1 251 184 29 VAL N N 118.963 0.068 1 252 185 30 GLY H H 8.334 0.002 1 253 185 30 GLY HA2 H 4.169 0.007 2 254 185 30 GLY HA3 H 4.012 0.009 2 255 185 30 GLY C C 176.715 0.05 1 256 185 30 GLY CA C 44.5 0.04 1 257 185 30 GLY N N 112.379 0.057 1 258 186 31 PRO HA H 4.454 0.005 1 259 186 31 PRO HB2 H 2.286 0.008 2 260 186 31 PRO HB3 H 1.967 0.004 2 261 186 31 PRO HG3 H 2.006 0.004 1 262 186 31 PRO HD2 H 3.62 0.004 2 263 186 31 PRO HD3 H 3.581 0.004 2 264 186 31 PRO C C 177.315 0.05 1 265 186 31 PRO CA C 63.318 0.044 1 266 186 31 PRO CB C 32.178 0.04 1 267 186 31 PRO CG C 27.167 0.05 1 268 186 31 PRO CD C 49.771 0.05 1 269 187 32 SER H H 8.547 0.002 1 270 187 32 SER HA H 4.496 0.004 1 271 187 32 SER HB3 H 3.938 0.004 1 272 187 32 SER C C 175.378 0.01 1 273 187 32 SER CA C 58.342 0.086 1 274 187 32 SER CB C 64.043 0.039 1 275 187 32 SER N N 115.986 0.03 1 276 188 33 GLY H H 8.612 0.003 1 277 188 33 GLY HA3 H 3.946 0.004 1 278 188 33 GLY C C 174.392 0.05 1 279 188 33 GLY CA C 45.404 0.02 1 280 188 33 GLY N N 110.54 0.032 1 281 189 34 GLU H H 8.263 0.002 1 282 189 34 GLU HA H 4.273 0.008 1 283 189 34 GLU HB2 H 2.048 0.004 2 284 189 34 GLU HB3 H 1.953 0.004 2 285 189 34 GLU HG3 H 2.274 0.006 1 286 189 34 GLU C C 176.697 0.057 1 287 189 34 GLU CA C 56.837 0.076 1 288 189 34 GLU CB C 30.302 0.017 1 289 189 34 GLU CG C 36.272 0.055 1 290 189 34 GLU N N 120.765 0.026 1 291 190 35 SER H H 8.238 0.001 1 292 190 35 SER HA H 4.399 0.004 1 293 190 35 SER HB3 H 3.864 0.004 1 294 190 35 SER CA C 58.438 0.076 1 295 190 35 SER CB C 63.527 0.05 1 296 190 35 SER N N 116.296 0.032 1 297 191 36 VAL H H 8.439 0.002 1 298 191 36 VAL HA H 3.806 0.007 1 299 191 36 VAL HB H 2.006 0.004 1 300 191 36 VAL HG1 H 0.999 0.002 2 301 191 36 VAL HG2 H 0.84 0.009 2 302 191 36 VAL C C 177.718 0.012 1 303 191 36 VAL CA C 65.133 0.068 1 304 191 36 VAL CB C 32.017 0.025 1 305 191 36 VAL CG1 C 21.999 0.062 2 306 191 36 VAL CG2 C 21.709 0.03 2 307 191 36 VAL N N 124.876 0.056 1 308 192 37 VAL H H 7.72 0.003 1 309 192 37 VAL HA H 2.54 0.007 1 310 192 37 VAL HB H 1.363 0.003 1 311 192 37 VAL HG1 H -0.055 0.005 2 312 192 37 VAL HG2 H 0.119 0.003 2 313 192 37 VAL C C 173.392 0.012 1 314 192 37 VAL CA C 63.527 0.036 1 315 192 37 VAL CB C 31.046 0.035 1 316 192 37 VAL CG1 C 20.343 0.034 2 317 192 37 VAL CG2 C 22.463 0.031 2 318 192 37 VAL N N 120.637 0.031 1 319 193 38 ALA H H 7.074 0.002 1 320 193 38 ALA HA H 4.541 0.007 1 321 193 38 ALA HB H 1.686 0.004 1 322 193 38 ALA C C 178.868 0.002 1 323 193 38 ALA CA C 52.428 0.057 1 324 193 38 ALA CB C 19.184 0.042 1 325 193 38 ALA N N 117.049 0.019 1 326 194 39 THR H H 7.877 0.002 1 327 194 39 THR HA H 4.632 0.001 1 328 194 39 THR HB H 4.601 0.004 1 329 194 39 THR HG2 H 1.463 0.004 1 330 194 39 THR C C 174.693 0.011 1 331 194 39 THR CA C 60.809 0.052 1 332 194 39 THR CB C 71.991 0.057 1 333 194 39 THR CG2 C 22.252 0.049 1 334 194 39 THR N N 110.322 0.03 1 335 195 40 GLU H H 8.864 0.003 1 336 195 40 GLU HA H 4.424 0.009 1 337 195 40 GLU HB2 H 2.181 0.004 2 338 195 40 GLU HB3 H 2.093 0.004 2 339 195 40 GLU HG3 H 2.497 0.004 1 340 195 40 GLU C C 179.025 0.05 1 341 195 40 GLU CA C 59.082 0.05 1 342 195 40 GLU CB C 29.332 0.014 1 343 195 40 GLU CG C 36.419 0.05 1 344 195 40 GLU N N 122.948 0.034 1 345 196 41 ALA H H 8.404 0.001 1 346 196 41 ALA HA H 4.201 0.004 1 347 196 41 ALA HB H 1.458 0.003 1 348 196 41 ALA C C 179.426 0.05 1 349 196 41 ALA CA C 54.95 0.05 1 350 196 41 ALA CB C 18.48 0.061 1 351 196 41 ALA N N 118.94 0.02 1 352 197 42 PHE H H 7.453 0.002 1 353 197 42 PHE HA H 3.838 0.011 1 354 197 42 PHE HB2 H 2.871 0.004 2 355 197 42 PHE HB3 H 2.76 0.004 2 356 197 42 PHE HD1 H 5.799 0.004 3 357 197 42 PHE HD2 H 5.799 0.004 3 358 197 42 PHE HE1 H 5.919 0.025 3 359 197 42 PHE HE2 H 5.919 0.025 3 360 197 42 PHE HZ H 6.589 0.004 1 361 197 42 PHE C C 175.888 0.05 1 362 197 42 PHE CA C 62.048 0.025 1 363 197 42 PHE CB C 39.081 0.067 1 364 197 42 PHE CD1 C 132.141 0.05 3 365 197 42 PHE CD2 C 132.141 0.05 3 366 197 42 PHE CE1 C 129.783 0.05 3 367 197 42 PHE CE2 C 129.783 0.05 3 368 197 42 PHE CZ C 127.639 0.05 1 369 197 42 PHE N N 116.806 0.019 1 370 198 43 TRP H H 6.921 0.002 1 371 198 43 TRP HA H 3.784 0.003 1 372 198 43 TRP HB2 H 2.494 0.004 2 373 198 43 TRP HB3 H 2.098 0.004 2 374 198 43 TRP HD1 H 7.818 0.004 1 375 198 43 TRP HE1 H 10.016 0.002 1 376 198 43 TRP HE3 H 7.511 0.004 1 377 198 43 TRP HZ2 H 6.753 0.004 1 378 198 43 TRP HZ3 H 7.027 0.004 1 379 198 43 TRP HH2 H 7.252 0.004 1 380 198 43 TRP C C 178.61 0.05 1 381 198 43 TRP CA C 60.153 0.051 1 382 198 43 TRP CB C 28.547 0.039 1 383 198 43 TRP CD1 C 129.56 0.05 1 384 198 43 TRP CE3 C 120.187 0.05 1 385 198 43 TRP CZ2 C 115.708 0.05 1 386 198 43 TRP CZ3 C 121.903 0.05 1 387 198 43 TRP CH2 C 124.197 0.05 1 388 198 43 TRP N N 120.786 0.021 1 389 198 43 TRP NE1 N 130.717 0.025 1 390 199 44 ASP H H 8.493 0.002 1 391 199 44 ASP HA H 4.49 0.007 1 392 199 44 ASP HB3 H 2.763 0.003 1 393 199 44 ASP C C 179.369 0.04 1 394 199 44 ASP CA C 57.548 0.008 1 395 199 44 ASP CB C 39.9 0.041 1 396 199 44 ASP N N 121.745 0.041 1 397 200 45 ASP H H 8.403 0.001 1 398 200 45 ASP HA H 4.466 0.004 1 399 200 45 ASP HB2 H 2.891 0.002 2 400 200 45 ASP HB3 H 2.715 0.003 2 401 200 45 ASP C C 179.427 0.05 1 402 200 45 ASP CA C 57.096 0.036 1 403 200 45 ASP CB C 39.363 0.018 1 404 200 45 ASP N N 124.158 0.047 1 405 201 46 LEU H H 8.608 0.002 1 406 201 46 LEU HA H 3.651 0.001 1 407 201 46 LEU HB2 H 0.744 0.012 2 408 201 46 LEU HB3 H 1.779 0.016 2 409 201 46 LEU HG H 1.071 0.003 1 410 201 46 LEU HD1 H 1.51 0.002 2 411 201 46 LEU HD2 H 0.819 0.004 2 412 201 46 LEU C C 178.012 0.05 1 413 201 46 LEU CA C 57.886 0.033 1 414 201 46 LEU CB C 40.601 0.048 1 415 201 46 LEU CG C 27.872 0.037 1 416 201 46 LEU CD1 C 27.521 0.05 2 417 201 46 LEU CD2 C 24.355 0.035 2 418 201 46 LEU N N 123.911 0.024 1 419 202 47 GLN H H 8.456 0.003 1 420 202 47 GLN HA H 3.782 0.006 1 421 202 47 GLN HB3 H 2.33 0.007 1 422 202 47 GLN HG2 H 2.485 0.004 2 423 202 47 GLN HG3 H 2.098 0.004 2 424 202 47 GLN HE21 H 7.97 0.001 1 425 202 47 GLN HE22 H 6.19 0.002 1 426 202 47 GLN C C 177.675 0.05 1 427 202 47 GLN CA C 60.157 0.072 1 428 202 47 GLN CB C 27.702 0.038 1 429 202 47 GLN CG C 33 0.035 1 430 202 47 GLN N N 120.272 0.029 1 431 202 47 GLN NE2 N 110.755 0.03 1 432 203 48 GLY H H 8.066 0.004 1 433 203 48 GLY HA3 H 3.887 0.004 1 434 203 48 GLY C C 176.245 0.05 1 435 203 48 GLY CA C 47.295 0.071 1 436 203 48 GLY N N 106.081 0.036 1 437 204 49 PHE H H 7.828 0.002 1 438 204 49 PHE HA H 3.998 0.006 1 439 204 49 PHE HB2 H 2.401 0.007 2 440 204 49 PHE HB3 H 2.294 0.003 2 441 204 49 PHE HD1 H 6.803 0.004 3 442 204 49 PHE HD2 H 6.803 0.004 3 443 204 49 PHE HE1 H 6.887 0.004 3 444 204 49 PHE HE2 H 6.887 0.004 3 445 204 49 PHE HZ H 6.579 0.004 1 446 204 49 PHE C C 177.106 0.05 1 447 204 49 PHE CA C 61.095 0.064 1 448 204 49 PHE CB C 37.828 0.041 1 449 204 49 PHE CD1 C 132.035 0.05 3 450 204 49 PHE CD2 C 132.035 0.05 3 451 204 49 PHE CE1 C 130.282 0.05 3 452 204 49 PHE CE2 C 130.282 0.05 3 453 204 49 PHE CZ C 127.945 0.05 1 454 204 49 PHE N N 123.222 0.023 1 455 205 50 LEU H H 8.492 0.003 1 456 205 50 LEU HA H 3.523 0.007 1 457 205 50 LEU HB2 H 1.058 0.004 2 458 205 50 LEU HB3 H 1.107 0.004 2 459 205 50 LEU HG H 2.102 0.018 1 460 205 50 LEU HD1 H 1.051 0.001 2 461 205 50 LEU HD2 H 0.886 0.003 2 462 205 50 LEU C C 178.63 0.05 1 463 205 50 LEU CA C 57.777 0.055 1 464 205 50 LEU CB C 42.258 0.037 1 465 205 50 LEU CG C 26.518 0.053 1 466 205 50 LEU CD1 C 23.383 0.009 2 467 205 50 LEU CD2 C 26.554 0.024 2 468 205 50 LEU N N 119.09 0.024 1 469 206 51 GLU H H 8.858 0.004 1 470 206 51 GLU HA H 3.438 0.011 1 471 206 51 GLU HB2 H 1.836 0.001 2 472 206 51 GLU HB3 H 2.094 0.002 2 473 206 51 GLU HG2 H 2.364 0.002 2 474 206 51 GLU HG3 H 1.951 0.011 2 475 206 51 GLU C C 179.505 0.05 1 476 206 51 GLU CA C 60.407 0.039 1 477 206 51 GLU CB C 29.468 0.027 1 478 206 51 GLU CG C 37.407 0.016 1 479 206 51 GLU N N 120.179 0.044 1 480 207 52 GLN H H 7.494 0.002 1 481 207 52 GLN HA H 3.983 0.004 1 482 207 52 GLN HB3 H 2.027 0.005 1 483 207 52 GLN HG2 H 2.348 0.014 2 484 207 52 GLN HG3 H 2.466 0.005 2 485 207 52 GLN HE21 H 7.399 0.001 1 486 207 52 GLN HE22 H 6.813 0.003 1 487 207 52 GLN C C 177.423 0.05 1 488 207 52 GLN CA C 57.992 0.067 1 489 207 52 GLN CB C 28.3 0.057 1 490 207 52 GLN CG C 33.736 0.056 1 491 207 52 GLN N N 117.361 0.023 1 492 207 52 GLN NE2 N 112.108 0.042 1 493 208 53 ARG H H 8.027 0.002 1 494 208 53 ARG HA H 4.104 0.005 1 495 208 53 ARG HB2 H 1.11 0.009 2 496 208 53 ARG HB3 H 1.365 0.006 2 497 208 53 ARG HD2 H 3.191 0.007 2 498 208 53 ARG HD3 H 2.913 0.002 2 499 208 53 ARG HE H 8.854 0.004 1 500 208 53 ARG C C 177.763 0.05 1 501 208 53 ARG CA C 55.99 0.045 1 502 208 53 ARG CB C 30.365 0.041 1 503 208 53 ARG CG C 27.504 0.05 1 504 208 53 ARG CD C 41.477 0.057 1 505 208 53 ARG N N 117.763 0.021 1 506 209 54 LEU H H 8.429 0.004 1 507 209 54 LEU HA H 4.148 0.005 1 508 209 54 LEU HB2 H 1.36 0.006 2 509 209 54 LEU HB3 H 1.711 0.006 2 510 209 54 LEU HG H 1.542 0.002 1 511 209 54 LEU HD1 H 0.358 0.004 2 512 209 54 LEU HD2 H 0.485 0.005 2 513 209 54 LEU C C 177.033 0.012 1 514 209 54 LEU CA C 55.218 0.046 1 515 209 54 LEU CB C 42.3 0.047 1 516 209 54 LEU CG C 27.457 0.04 1 517 209 54 LEU CD1 C 23.009 0.052 2 518 209 54 LEU CD2 C 25.57 0.047 2 519 209 54 LEU N N 116.108 0.038 1 520 210 55 LYS H H 7.63 0.003 1 521 210 55 LYS HA H 3.899 0.007 1 522 210 55 LYS HB2 H 1.979 0.021 2 523 210 55 LYS HB3 H 1.939 0.015 2 524 210 55 LYS HG3 H 1.282 0.005 1 525 210 55 LYS HD2 H 1.621 0.002 2 526 210 55 LYS HD3 H 1.69 0.007 2 527 210 55 LYS HE3 H 3.024 0.004 1 528 210 55 LYS C C 174.906 0.039 1 529 210 55 LYS CA C 57.081 0.068 1 530 210 55 LYS CB C 29.25 0.017 1 531 210 55 LYS CD C 29.095 0.083 1 532 210 55 LYS CE C 42.509 0.05 1 533 210 55 LYS N N 113.438 0.022 1 534 211 56 ASP H H 6.476 0.003 1 535 211 56 ASP HA H 4.727 0.003 1 536 211 56 ASP HB3 H 2.51 0.005 1 537 211 56 ASP C C 175.488 0.001 1 538 211 56 ASP CA C 53.94 0.05 1 539 211 56 ASP CB C 43.494 0.034 1 540 211 56 ASP N N 114.784 0.03 1 541 212 57 TYR H H 8.931 0.002 1 542 212 57 TYR HA H 3.924 0.004 1 543 212 57 TYR HB2 H 3.131 0.006 2 544 212 57 TYR HB3 H 2.981 0.008 2 545 212 57 TYR HD1 H 7.13 0.004 3 546 212 57 TYR HD2 H 7.13 0.004 3 547 212 57 TYR HE1 H 6.806 0.004 3 548 212 57 TYR HE2 H 6.806 0.004 3 549 212 57 TYR C C 177.196 0.006 1 550 212 57 TYR CA C 62.066 0.014 1 551 212 57 TYR CB C 38.357 0.057 1 552 212 57 TYR CD1 C 133.253 0.05 3 553 212 57 TYR CD2 C 133.253 0.05 3 554 212 57 TYR CE1 C 118.233 0.05 3 555 212 57 TYR CE2 C 118.233 0.05 3 556 212 57 TYR N N 127.091 0.028 1 557 213 58 ASP H H 8.275 0.002 1 558 213 58 ASP HB2 H 2.689 0.004 2 559 213 58 ASP HB3 H 2.832 0.004 2 560 213 58 ASP C C 179.118 0.05 1 561 213 58 ASP CA C 57.718 0.031 1 562 213 58 ASP CB C 40.674 0.002 1 563 213 58 ASP N N 120.43 0.031 1 564 214 59 GLU H H 8.539 0.002 1 565 214 59 GLU HA H 3.952 0.004 1 566 214 59 GLU HB2 H 1.752 0.004 2 567 214 59 GLU HB3 H 1.906 0.003 2 568 214 59 GLU HG2 H 2.202 0.004 2 569 214 59 GLU HG3 H 2.164 0.004 2 570 214 59 GLU C C 178.268 0.05 1 571 214 59 GLU CA C 58.672 0.037 1 572 214 59 GLU CB C 29.251 0.062 1 573 214 59 GLU CG C 35.116 0.05 1 574 214 59 GLU N N 121.986 0.07 1 575 215 60 ALA H H 7.691 0.003 1 576 215 60 ALA HA H 3.685 0.004 1 577 215 60 ALA HB H 1.305 0.003 1 578 215 60 ALA C C 178.254 0.05 1 579 215 60 ALA CA C 55.428 0.045 1 580 215 60 ALA CB C 19.084 0.044 1 581 215 60 ALA N N 119.319 0.036 1 582 216 61 ASN H H 8.034 0.003 1 583 216 61 ASN HA H 4.332 0.005 1 584 216 61 ASN HB2 H 2.654 0.008 2 585 216 61 ASN HB3 H 2.513 0.009 2 586 216 61 ASN HD21 H 7.566 0.002 1 587 216 61 ASN HD22 H 6.603 0.002 1 588 216 61 ASN C C 176.476 0.047 1 589 216 61 ASN CA C 56.775 0.043 1 590 216 61 ASN CB C 39.317 0.053 1 591 216 61 ASN N N 115.688 0.019 1 592 216 61 ASN ND2 N 112.487 0.035 1 593 217 62 LYS H H 7.934 0.003 1 594 217 62 LYS HA H 3.85 0.004 1 595 217 62 LYS HB2 H 1.859 0.004 2 596 217 62 LYS HB3 H 1.886 0.008 2 597 217 62 LYS HG2 H 1.587 0.002 2 598 217 62 LYS HG3 H 1.28 0.006 2 599 217 62 LYS HD2 H 1.662 0.001 2 600 217 62 LYS HD3 H 1.602 0.004 2 601 217 62 LYS HE3 H 2.906 0.001 1 602 217 62 LYS C C 179.852 0.004 1 603 217 62 LYS CA C 59.755 0.051 1 604 217 62 LYS CB C 32.555 0.012 1 605 217 62 LYS CG C 25.122 0.12 1 606 217 62 LYS CD C 29.518 0.064 1 607 217 62 LYS CE C 42.001 0.04 1 608 217 62 LYS N N 118.661 0.031 1 609 218 63 LEU H H 7.999 0.003 1 610 218 63 LEU HA H 3.697 0.004 1 611 218 63 LEU HB2 H 1.508 0.01 2 612 218 63 LEU HB3 H 0.667 0.008 2 613 218 63 LEU HD1 H 0.683 0.006 2 614 218 63 LEU HD2 H 0.746 0.003 2 615 218 63 LEU C C 176.847 0.016 1 616 218 63 LEU CA C 57.124 0.061 1 617 218 63 LEU CB C 41.083 0.033 1 618 218 63 LEU CD1 C 26.457 0.07 2 619 218 63 LEU CD2 C 23.196 0.042 2 620 218 63 LEU N N 118.895 0.022 1 621 219 64 ARG H H 8.146 0.003 1 622 219 64 ARG HA H 3.662 0.016 1 623 219 64 ARG HB2 H 1.887 0.027 2 624 219 64 ARG HB3 H 2.093 0.019 2 625 219 64 ARG HG2 H 2.079 0.004 2 626 219 64 ARG HG3 H 1.838 0.001 2 627 219 64 ARG HD2 H 3.405 0.004 2 628 219 64 ARG HD3 H 3.253 0.002 2 629 219 64 ARG HE H 7.363 0.004 1 630 219 64 ARG C C 177.823 0.027 1 631 219 64 ARG CA C 61.192 0.05 1 632 219 64 ARG CB C 28.612 0.036 1 633 219 64 ARG CG C 26.738 0.037 1 634 219 64 ARG CD C 43.73 0.065 1 635 219 64 ARG N N 119.713 0.032 1 636 220 65 VAL H H 7.879 0.003 1 637 220 65 VAL HA H 3.52 0.007 1 638 220 65 VAL HB H 2.06 0.001 1 639 220 65 VAL HG1 H 0.955 0.014 2 640 220 65 VAL HG2 H 1.04 0.003 2 641 220 65 VAL C C 178.255 0.005 1 642 220 65 VAL CA C 66.77 0.059 1 643 220 65 VAL CB C 31.935 0.053 1 644 220 65 VAL CG1 C 21.062 0.038 2 645 220 65 VAL CG2 C 22.887 0.079 2 646 220 65 VAL N N 117.416 0.023 1 647 221 66 LEU H H 7.687 0.004 1 648 221 66 LEU HA H 4.17 0.01 1 649 221 66 LEU HB3 H 1.802 0.005 1 650 221 66 LEU HG H 1.068 0.004 1 651 221 66 LEU C C 180.204 0.05 1 652 221 66 LEU CA C 58.26 0.047 1 653 221 66 LEU CB C 42.872 0.019 1 654 221 66 LEU CG C 24.834 0.05 1 655 221 66 LEU CD1 C 24.078 0.05 2 656 221 66 LEU CD2 C 22.775 0.05 2 657 221 66 LEU N N 121.38 0.03 1 658 222 67 PHE H H 9.175 0.003 1 659 222 67 PHE HA H 4.514 0.006 1 660 222 67 PHE HB2 H 3.24 0.008 2 661 222 67 PHE HB3 H 2.4 0.008 2 662 222 67 PHE HD1 H 6.851 0.004 3 663 222 67 PHE HD2 H 6.851 0.004 3 664 222 67 PHE HE1 H 7.403 0.004 3 665 222 67 PHE HE2 H 7.403 0.004 3 666 222 67 PHE HZ H 7.242 0.004 1 667 222 67 PHE C C 177.336 0.05 1 668 222 67 PHE CA C 56.768 0.072 1 669 222 67 PHE CB C 36.123 0.07 1 670 222 67 PHE CD1 C 129.413 0.05 3 671 222 67 PHE CD2 C 129.413 0.05 3 672 222 67 PHE CE1 C 130.862 0.05 3 673 222 67 PHE CE2 C 130.862 0.05 3 674 222 67 PHE CZ C 128.151 0.05 1 675 222 67 PHE N N 119.281 0.026 1 676 223 68 LYS H H 8.557 0.003 1 677 223 68 LYS HA H 3.699 0.006 1 678 223 68 LYS HB2 H 0.921 0.005 2 679 223 68 LYS HB3 H 1.672 0.01 2 680 223 68 LYS HG2 H 1.085 0.004 2 681 223 68 LYS HG3 H 0.251 0.003 2 682 223 68 LYS HD2 H 0.96 0.009 2 683 223 68 LYS HD3 H 0.761 0.01 2 684 223 68 LYS HE2 H 2.323 0.004 2 685 223 68 LYS HE3 H 2.519 0.005 2 686 223 68 LYS C C 179.174 0.05 1 687 223 68 LYS CA C 60.124 0.055 1 688 223 68 LYS CB C 31.752 0.037 1 689 223 68 LYS CG C 25.306 0.024 1 690 223 68 LYS CD C 29.412 0.063 1 691 223 68 LYS CE C 42.029 0.03 1 692 223 68 LYS N N 122.277 0.047 1 693 224 69 GLU H H 8.197 0.004 1 694 224 69 GLU HA H 4.19 0.004 1 695 224 69 GLU HB3 H 2.155 0.013 1 696 224 69 GLU HG3 H 2.402 0.006 1 697 224 69 GLU C C 179.506 0.05 1 698 224 69 GLU CA C 58.81 0.076 1 699 224 69 GLU CB C 28.855 0.05 1 700 224 69 GLU CG C 36.05 0.032 1 701 224 69 GLU N N 118.722 0.028 1 702 225 70 ALA H H 8.38 0.003 1 703 225 70 ALA HA H 4.314 0.008 1 704 225 70 ALA HB H 1.821 0.01 1 705 225 70 ALA C C 180.478 0.05 1 706 225 70 ALA CA C 54.969 0.06 1 707 225 70 ALA CB C 18.576 0.053 1 708 225 70 ALA N N 123.537 0.037 1 709 226 71 TRP H H 8.875 0.004 1 710 226 71 TRP HA H 4.375 0.011 1 711 226 71 TRP HB2 H 4.125 0.01 2 712 226 71 TRP HB3 H 3.703 0.011 2 713 226 71 TRP HD1 H 7.174 0.004 1 714 226 71 TRP HE1 H 10.516 0.003 1 715 226 71 TRP HE3 H 7.743 0.004 1 716 226 71 TRP HZ2 H 7.442 0.004 1 717 226 71 TRP HZ3 H 7.135 0.004 1 718 226 71 TRP HH2 H 7.25 0.004 1 719 226 71 TRP C C 178.881 0.05 1 720 226 71 TRP CA C 62.224 0.009 1 721 226 71 TRP CB C 28.559 0.062 1 722 226 71 TRP CD1 C 126.17 0.05 1 723 226 71 TRP CE3 C 120.617 0.05 1 724 226 71 TRP CZ2 C 114.597 0.05 1 725 226 71 TRP CZ3 C 121.434 0.05 1 726 226 71 TRP CH2 C 123.761 0.05 1 727 226 71 TRP N N 119.643 0.024 1 728 226 71 TRP NE1 N 131.861 0.027 1 729 227 72 ARG H H 9.063 0.003 1 730 227 72 ARG HA H 3.274 0.006 1 731 227 72 ARG HB2 H 1.847 0.005 2 732 227 72 ARG HB3 H 1.933 0.003 2 733 227 72 ARG HG2 H 1.774 0.009 2 734 227 72 ARG HG3 H 1.648 0.007 2 735 227 72 ARG HD3 H 3.122 0.003 1 736 227 72 ARG HE H 7.56 0.004 1 737 227 72 ARG C C 177.89 0.05 1 738 227 72 ARG CA C 58.887 0.049 1 739 227 72 ARG CB C 30.018 0.034 1 740 227 72 ARG CG C 27.181 0.048 1 741 227 72 ARG CD C 43.288 0.036 1 742 227 72 ARG N N 120.93 0.042 1 743 228 73 SER H H 7.864 0.003 1 744 228 73 SER HA H 4.387 0.005 1 745 228 73 SER HB3 H 4.05 0.01 1 746 228 73 SER C C 174.378 0.003 1 747 228 73 SER CA C 59.594 0.065 1 748 228 73 SER CB C 63.658 0.069 1 749 228 73 SER N N 111.563 0.039 1 750 229 74 SER H H 7.665 0.002 1 751 229 74 SER HA H 4.378 0.004 1 752 229 74 SER HB3 H 3.969 0.005 1 753 229 74 SER C C 172.903 0.013 1 754 229 74 SER CA C 59.516 0.061 1 755 229 74 SER CB C 64.567 0.046 1 756 229 74 SER N N 116.808 0.036 1 757 230 75 PHE H H 7.115 0.003 1 758 230 75 PHE HA H 4.327 0.004 1 759 230 75 PHE HB2 H 2.988 0.004 2 760 230 75 PHE HB3 H 2.81 0.004 2 761 230 75 PHE HD1 H 7.075 0.004 3 762 230 75 PHE HD2 H 7.075 0.004 3 763 230 75 PHE HE1 H 6.646 0.004 3 764 230 75 PHE HE2 H 6.646 0.004 3 765 230 75 PHE HZ H 6.987 0.004 1 766 230 75 PHE C C 179.951 0.05 1 767 230 75 PHE CA C 59.261 0.036 1 768 230 75 PHE CB C 40.125 0.05 1 769 230 75 PHE CD1 C 132.078 0.05 3 770 230 75 PHE CD2 C 132.078 0.05 3 771 230 75 PHE CE1 C 131.087 0.05 3 772 230 75 PHE CE2 C 131.087 0.05 3 773 230 75 PHE CZ C 129.023 0.05 1 774 230 75 PHE N N 126.474 0.04 1 stop_ save_