data_18186 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the Get5 carboxyl domain from S. cerevisiae ; _BMRB_accession_number 18186 _BMRB_flat_file_name bmr18186.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" 361 "13C chemical shifts" 270 "15N chemical shifts" 65 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 18187 'Get5 carboxyl domain from A. fumigatus' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '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 S. cerevisiae' _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 4690.318 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 64 _Mol_residue_sequence ; SVDPTISKEPEAEKSTNSPA PAPPQELTVPWDDIEALLKN NFENDQAAVRQVMERLQKGW SLAK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 149 SER 2 150 VAL 3 151 ASP 4 152 PRO 5 153 THR 6 154 ILE 7 155 SER 8 156 LYS 9 157 GLU 10 158 PRO 11 159 GLU 12 160 ALA 13 161 GLU 14 162 LYS 15 163 SER 16 164 THR 17 165 ASN 18 166 SER 19 167 PRO 20 168 ALA 21 169 PRO 22 170 ALA 23 171 PRO 24 172 PRO 25 173 GLN 26 174 GLU 27 175 LEU 28 176 THR 29 177 VAL 30 178 PRO 31 179 TRP 32 180 ASP 33 181 ASP 34 182 ILE 35 183 GLU 36 184 ALA 37 185 LEU 38 186 LEU 39 187 LYS 40 188 ASN 41 189 ASN 42 190 PHE 43 191 GLU 44 192 ASN 45 193 ASP 46 194 GLN 47 195 ALA 48 196 ALA 49 197 VAL 50 198 ARG 51 199 GLN 52 200 VAL 53 201 MET 54 202 GLU 55 203 ARG 56 204 LEU 57 205 GLN 58 206 LYS 59 207 GLY 60 208 TRP 61 209 SER 62 210 LEU 63 211 ALA 64 212 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-29 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 2LNZ "Solution Structure Of The Get5 Carboxyl Domain From S. Cerevisiae" 100.00 64 100.00 100.00 8.98e-37 PDB 3VEJ "Crystal Structure Of The Get5 Carboxyl Domain From S. Cerevisiae" 60.94 41 97.44 100.00 1.78e-18 EMBL CAA88151 "ORF [Saccharomyces cerevisiae]" 96.88 212 98.39 100.00 1.11e-34 EMBL CAA99130 "unnamed protein product [Saccharomyces cerevisiae]" 96.88 212 98.39 100.00 1.11e-34 EMBL CAY86179 "Mdy2p [Saccharomyces cerevisiae EC1118]" 96.88 212 98.39 100.00 1.11e-34 GB AJT73283 "Mdy2p [Saccharomyces cerevisiae YJM270]" 96.88 212 98.39 100.00 1.11e-34 GB AJT77714 "Mdy2p [Saccharomyces cerevisiae YJM470]" 96.88 212 98.39 100.00 1.11e-34 GB AJT80165 "Mdy2p [Saccharomyces cerevisiae YJM681]" 96.88 212 98.39 100.00 1.11e-34 GB AJT87045 "Mdy2p [Saccharomyces cerevisiae YJM1083]" 96.88 212 98.39 100.00 1.11e-34 GB AJT92827 "Mdy2p [Saccharomyces cerevisiae YJM1273]" 96.88 212 98.39 100.00 1.11e-34 REF NP_014530 "Mdy2p [Saccharomyces cerevisiae S288c]" 96.88 212 98.39 100.00 1.11e-34 SP Q12285 "RecName: Full=Ubiquitin-like protein MDY2; AltName: Full=Golgi to ER traffic protein 5; AltName: Full=Mating-deficient protein " 96.88 212 98.39 100.00 1.11e-34 TPG DAA10672 "TPA: Mdy2p [Saccharomyces cerevisiae S288c]" 96.88 212 98.39 100.00 1.11e-34 stop_ 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 $Get5 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae Get5 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 4 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type 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' 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_ ####################### # 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 1 150 2 VAL HA H 4.188 0.001 1 2 150 2 VAL HB H 2.051 0.004 1 3 150 2 VAL HG1 H 0.924 0.004 2 4 150 2 VAL HG2 H 0.932 0.004 2 5 150 2 VAL C C 175.422 0.05 1 6 150 2 VAL CA C 62.042 0.067 1 7 150 2 VAL CB C 32.93 0.074 1 8 150 2 VAL CG1 C 21.124 0.05 2 9 150 2 VAL CG2 C 20.404 0.003 2 10 151 3 ASP H H 8.49 0.004 1 11 151 3 ASP HA H 4.908 0.001 1 12 151 3 ASP HB2 H 2.558 0.007 2 13 151 3 ASP HB3 H 2.818 0.002 2 14 151 3 ASP CA C 51.995 0.066 1 15 151 3 ASP CB C 41.174 0.026 1 16 151 3 ASP N N 126.293 0.026 1 17 152 4 PRO HA H 4.5 0.013 1 18 152 4 PRO HB2 H 2.019 0.004 2 19 152 4 PRO HB3 H 2.317 0.004 2 20 152 4 PRO C C 177.321 0.05 1 21 152 4 PRO CA C 63.537 0.05 1 22 152 4 PRO CB C 32.192 0.086 1 23 152 4 PRO CG C 26.992 0.05 1 24 152 4 PRO CD C 50.879 0.05 1 25 153 5 THR H H 8.423 0.002 1 26 153 5 THR HA H 4.259 0.002 1 27 153 5 THR HB H 4.205 0.005 1 28 153 5 THR HG2 H 1.227 0.002 1 29 153 5 THR C C 174.81 0.05 1 30 153 5 THR CA C 62.769 0.072 1 31 153 5 THR CB C 69.533 0.054 1 32 153 5 THR CG2 C 21.769 0.023 1 33 153 5 THR N N 113.744 0.028 1 34 154 6 ILE H H 7.822 0.001 1 35 154 6 ILE HA H 4.214 0.013 1 36 154 6 ILE HB H 1.912 0.007 1 37 154 6 ILE HG12 H 1.2 0.002 2 38 154 6 ILE HG13 H 1.468 0.002 2 39 154 6 ILE HG2 H 0.913 0.004 1 40 154 6 ILE HD1 H 0.876 0.004 1 41 154 6 ILE C C 176.15 0.05 1 42 154 6 ILE CA C 61.08 0.054 1 43 154 6 ILE CB C 38.714 0.052 1 44 154 6 ILE CG1 C 27.227 0.033 1 45 154 6 ILE CG2 C 17.419 0.017 1 46 154 6 ILE CD1 C 12.916 0.054 1 47 154 6 ILE N N 122.501 0.018 1 48 155 7 SER H H 8.318 0.002 1 49 155 7 SER HA H 4.458 0.002 1 50 155 7 SER HB2 H 3.844 0.004 1 51 155 7 SER HB3 H 3.844 0.004 1 52 155 7 SER C C 174.203 0.05 1 53 155 7 SER CA C 58.168 0.08 1 54 155 7 SER CB C 63.742 0.043 1 55 155 7 SER N N 119.956 0.009 1 56 156 8 LYS H H 8.344 0.002 1 57 156 8 LYS HA H 4.384 0.007 1 58 156 8 LYS HB2 H 1.735 0.004 2 59 156 8 LYS HB3 H 1.847 0.004 2 60 156 8 LYS HG2 H 1.443 0.004 1 61 156 8 LYS HG3 H 1.443 0.004 1 62 156 8 LYS HD2 H 1.693 0.003 1 63 156 8 LYS HD3 H 1.693 0.003 1 64 156 8 LYS HE2 H 2.996 0.004 1 65 156 8 LYS HE3 H 2.996 0.004 1 66 156 8 LYS C C 176.183 0.05 1 67 156 8 LYS CA C 55.962 0.049 1 68 156 8 LYS CB C 33.242 0.07 1 69 156 8 LYS CG C 24.526 0.079 1 70 156 8 LYS CD C 28.962 0.082 1 71 156 8 LYS CE C 42.081 0.05 1 72 156 8 LYS N N 123.765 0.027 1 73 157 9 GLU H H 8.462 0.002 1 74 157 9 GLU HA H 4.555 0.008 1 75 157 9 GLU HB2 H 1.878 0.004 2 76 157 9 GLU HB3 H 2.076 0.004 2 77 157 9 GLU HG2 H 2.33 0.004 1 78 157 9 GLU HG3 H 2.33 0.004 1 79 157 9 GLU CA C 54.6 0.032 1 80 157 9 GLU CB C 29.502 0.05 1 81 157 9 GLU N N 123.909 0.024 1 82 158 10 PRO HA H 4.39 0.005 1 83 158 10 PRO HB2 H 1.925 0.004 2 84 158 10 PRO HB3 H 2.318 0.004 2 85 158 10 PRO HG3 H 2.056 0.004 1 86 158 10 PRO HD2 H 3.707 0.004 2 87 158 10 PRO HD3 H 3.821 0.004 2 88 158 10 PRO C C 177.12 0.05 1 89 158 10 PRO CA C 63.257 0.057 1 90 158 10 PRO CB C 32.063 0.085 1 91 158 10 PRO CG C 27.44 0.001 1 92 158 10 PRO CD C 50.624 0.003 1 93 159 11 GLU H H 8.543 0.001 1 94 159 11 GLU HA H 4.235 0.004 1 95 159 11 GLU HB2 H 1.947 0.004 2 96 159 11 GLU HB3 H 2.051 0.004 2 97 159 11 GLU HG2 H 2.32 0.004 1 98 159 11 GLU HG3 H 2.32 0.004 1 99 159 11 GLU C C 176.525 0.05 1 100 159 11 GLU CA C 56.604 0.066 1 101 159 11 GLU CB C 30.199 0.113 1 102 159 11 GLU CG C 36.293 0.05 1 103 159 11 GLU N N 121.225 0.023 1 104 160 12 ALA H H 8.325 0.002 1 105 160 12 ALA HA H 4.28 0.002 1 106 160 12 ALA HB H 1.407 0.004 1 107 160 12 ALA C C 177.923 0.05 1 108 160 12 ALA CA C 52.758 0.105 1 109 160 12 ALA CB C 19.382 0.034 1 110 160 12 ALA N N 125.227 0.019 1 111 161 13 GLU H H 8.388 0.01 1 112 161 13 GLU HA H 4.229 0.012 1 113 161 13 GLU HB2 H 2.051 0.004 2 114 161 13 GLU HB3 H 1.96 0.004 2 115 161 13 GLU HG2 H 2.306 0.004 1 116 161 13 GLU HG3 H 2.306 0.004 1 117 161 13 GLU C C 176.613 0.05 1 118 161 13 GLU CA C 56.702 0.017 1 119 161 13 GLU CB C 30.11 0.097 1 120 161 13 GLU CG C 36.227 0.05 1 121 161 13 GLU N N 120.229 0.013 1 122 162 14 LYS H H 8.33 0.006 1 123 162 14 LYS HA H 4.373 0.002 1 124 162 14 LYS HB2 H 1.869 0.004 2 125 162 14 LYS HB3 H 1.731 0.004 2 126 162 14 LYS HG2 H 1.443 0.007 1 127 162 14 LYS HG3 H 1.443 0.007 1 128 162 14 LYS HD2 H 1.766 0.004 2 129 162 14 LYS HD3 H 1.648 0.004 2 130 162 14 LYS HE2 H 3.012 0.002 2 131 162 14 LYS HE3 H 3.01 0.004 2 132 162 14 LYS C C 176.739 0.05 1 133 162 14 LYS CA C 56.252 0.086 1 134 162 14 LYS CB C 33.105 0.029 1 135 162 14 LYS CG C 24.754 0.054 1 136 162 14 LYS CD C 29.057 0.007 1 137 162 14 LYS CE C 42.125 0.05 1 138 162 14 LYS N N 122.474 0.048 1 139 163 15 SER H H 8.413 0.002 1 140 163 15 SER HA H 4.52 0.014 1 141 163 15 SER HB2 H 3.892 0.001 2 142 163 15 SER HB3 H 3.934 0.004 2 143 163 15 SER C C 174.994 0.05 1 144 163 15 SER CA C 58.346 0.064 1 145 163 15 SER CB C 63.753 0.029 1 146 163 15 SER N N 117.125 0.012 1 147 164 16 THR H H 8.246 0.001 1 148 164 16 THR HA H 4.378 0.003 1 149 164 16 THR HB H 4.283 0.001 1 150 164 16 THR HG2 H 1.218 0.003 1 151 164 16 THR C C 174.356 0.05 1 152 164 16 THR CA C 61.834 0.074 1 153 164 16 THR CB C 69.706 0.026 1 154 164 16 THR CG2 C 21.578 0.051 1 155 164 16 THR N N 115.57 0.011 1 156 165 17 ASN H H 8.409 0.002 1 157 165 17 ASN HA H 4.773 0.004 1 158 165 17 ASN HB2 H 2.738 0.006 2 159 165 17 ASN HB3 H 2.825 0.011 2 160 165 17 ASN HD21 H 6.919 0.004 1 161 165 17 ASN HD22 H 7.597 0.004 1 162 165 17 ASN C C 174.816 0.05 1 163 165 17 ASN CA C 53.141 0.055 1 164 165 17 ASN CB C 39.08 0.075 1 165 165 17 ASN N N 120.92 0.02 1 166 165 17 ASN ND2 N 112.944 0.03 1 167 166 18 SER H H 8.271 0.002 1 168 166 18 SER HA H 4.762 0.008 1 169 166 18 SER HB2 H 3.801 0.004 2 170 166 18 SER HB3 H 3.881 0.004 2 171 166 18 SER CA C 56.442 0.103 1 172 166 18 SER CB C 63.237 0.05 1 173 166 18 SER N N 117.774 0.045 1 174 167 19 PRO HA H 4.387 0.004 1 175 167 19 PRO HB2 H 1.879 0.004 2 176 167 19 PRO HB3 H 2.263 0.004 2 177 167 19 PRO C C 176.325 0.05 1 178 167 19 PRO CA C 62.723 0.079 1 179 167 19 PRO CB C 31.989 0.06 1 180 167 19 PRO CG C 27.271 0.05 1 181 167 19 PRO CD C 50.403 0.05 1 182 168 20 ALA H H 8.372 0.002 1 183 168 20 ALA HA H 4.582 0.005 1 184 168 20 ALA HB H 1.362 0.005 1 185 168 20 ALA CA C 50.374 0.048 1 186 168 20 ALA CB C 18.181 0.028 1 187 168 20 ALA N N 125.934 0.032 1 188 169 21 PRO HA H 4.42 0.016 1 189 169 21 PRO HB2 H 1.916 0.004 2 190 169 21 PRO HB3 H 2.275 0.004 2 191 169 21 PRO HG3 H 2.035 0.004 1 192 169 21 PRO HD2 H 3.643 0.004 2 193 169 21 PRO HD3 H 3.819 0.004 2 194 169 21 PRO C C 176.344 0.05 1 195 169 21 PRO CA C 62.976 0.049 1 196 169 21 PRO CB C 32.02 0.067 1 197 169 21 PRO CG C 27.693 0.05 1 198 169 21 PRO CD C 50.668 0.009 1 199 170 22 ALA H H 8.407 0.002 1 200 170 22 ALA HA H 4.584 0.003 1 201 170 22 ALA HB H 1.362 0.004 1 202 170 22 ALA CA C 50.424 0.034 1 203 170 22 ALA CB C 18.143 0.01 1 204 170 22 ALA N N 126.15 0.023 1 205 171 23 PRO HA H 4.713 0.003 1 206 171 23 PRO HB2 H 1.92 0.001 2 207 171 23 PRO HB3 H 2.366 0.004 2 208 171 23 PRO HG3 H 2.046 0.004 1 209 171 23 PRO HD2 H 3.826 0.002 2 210 171 23 PRO HD3 H 3.647 0.001 2 211 171 23 PRO CA C 61.639 0.047 1 212 171 23 PRO CB C 31.95 0.05 1 213 171 23 PRO CG C 27.519 0.05 1 214 171 23 PRO CD C 50.679 0.05 1 215 172 24 PRO HA H 4.413 0.018 1 216 172 24 PRO HB2 H 1.922 0.008 2 217 172 24 PRO HB3 H 2.31 0.005 2 218 172 24 PRO HG2 H 2.033 0.004 1 219 172 24 PRO HG3 H 2.033 0.004 1 220 172 24 PRO HD2 H 3.707 0.003 2 221 172 24 PRO HD3 H 3.824 0.001 2 222 172 24 PRO C C 176.888 0.05 1 223 172 24 PRO CA C 62.937 0.059 1 224 172 24 PRO CB C 32.074 0.072 1 225 172 24 PRO CG C 27.369 0.002 1 226 172 24 PRO CD C 50.386 0.008 1 227 173 25 GLN H H 8.482 0.002 1 228 173 25 GLN HA H 4.313 0.009 1 229 173 25 GLN HB2 H 1.986 0.002 2 230 173 25 GLN HB3 H 2.081 0.004 2 231 173 25 GLN HG2 H 2.391 0.004 1 232 173 25 GLN HG3 H 2.391 0.004 1 233 173 25 GLN HE21 H 7.603 0.004 1 234 173 25 GLN HE22 H 6.925 0.004 1 235 173 25 GLN C C 175.787 0.05 1 236 173 25 GLN CA C 55.701 0.06 1 237 173 25 GLN CB C 29.882 0.027 1 238 173 25 GLN CG C 33.788 0.05 1 239 173 25 GLN N N 120.867 0.016 1 240 173 25 GLN NE2 N 112.731 0.001 1 241 174 26 GLU H H 8.463 0.002 1 242 174 26 GLU HA H 4.422 0.012 1 243 174 26 GLU HB2 H 1.998 0.004 2 244 174 26 GLU HB3 H 2.115 0.004 2 245 174 26 GLU HG2 H 2.353 0.004 1 246 174 26 GLU HG3 H 2.353 0.004 1 247 174 26 GLU C C 176.498 0.05 1 248 174 26 GLU CA C 55.987 0.032 1 249 174 26 GLU CB C 30.674 0.05 1 250 174 26 GLU CG C 36.09 0.013 1 251 174 26 GLU N N 123.201 0.031 1 252 175 27 LEU H H 8.479 0.003 1 253 175 27 LEU HA H 4.464 0.006 1 254 175 27 LEU HB2 H 1.409 0.007 2 255 175 27 LEU HB3 H 1.736 0.005 2 256 175 27 LEU HG H 1.658 0.005 1 257 175 27 LEU HD1 H 0.77 0.004 2 258 175 27 LEU HD2 H 0.767 0.003 2 259 175 27 LEU C C 176.514 0.05 1 260 175 27 LEU CA C 55.039 0.072 1 261 175 27 LEU CB C 42.868 0.064 1 262 175 27 LEU CG C 26.937 0.06 1 263 175 27 LEU CD1 C 25.834 0.06 2 264 175 27 LEU CD2 C 23.303 0.033 2 265 175 27 LEU N N 125.204 0.022 1 266 176 28 THR H H 8.363 0.002 1 267 176 28 THR HA H 4.43 0.004 1 268 176 28 THR HB H 4.045 0.005 1 269 176 28 THR HG2 H 1.158 0.003 1 270 176 28 THR C C 173.007 0.05 1 271 176 28 THR CA C 61.148 0.047 1 272 176 28 THR CB C 70.4 0.047 1 273 176 28 THR CG2 C 21.649 0.062 1 274 176 28 THR N N 117.26 0.047 1 275 177 29 VAL H H 7.95 0.003 1 276 177 29 VAL HA H 3.604 0.006 1 277 177 29 VAL HB H 0.156 0.009 1 278 177 29 VAL HG1 H -0.993 0.003 2 279 177 29 VAL HG2 H -0.613 0.003 2 280 177 29 VAL CA C 59.318 0.091 1 281 177 29 VAL CB C 33.054 0.03 1 282 177 29 VAL CG1 C 19.403 0.009 2 283 177 29 VAL CG2 C 20.387 0.014 2 284 177 29 VAL N N 124.841 0.043 1 285 178 30 PRO HA H 4.797 0.008 1 286 178 30 PRO HB2 H 2.429 0.007 2 287 178 30 PRO HB3 H 1.552 0.001 2 288 178 30 PRO HG2 H 1.68 0.004 2 289 178 30 PRO HG3 H 1.55 0.004 2 290 178 30 PRO HD2 H 3.429 0.005 2 291 178 30 PRO HD3 H 2.982 0.006 2 292 178 30 PRO C C 175.813 0.05 1 293 178 30 PRO CA C 60.737 0.061 1 294 178 30 PRO CB C 28.074 0.09 1 295 178 30 PRO CG C 27.695 0.05 1 296 178 30 PRO CD C 49.951 0.078 1 297 179 31 TRP H H 7.898 0.004 1 298 179 31 TRP HA H 4.179 0.007 1 299 179 31 TRP HB2 H 3.056 0.007 2 300 179 31 TRP HB3 H 3.189 0.009 2 301 179 31 TRP HD1 H 7.388 0.004 1 302 179 31 TRP HE1 H 10.094 0.002 1 303 179 31 TRP HE3 H 7.321 0.004 1 304 179 31 TRP HZ2 H 6.792 0.004 1 305 179 31 TRP HZ3 H 6.865 0.004 1 306 179 31 TRP HH2 H 6.907 0.004 1 307 179 31 TRP C C 177.545 0.05 1 308 179 31 TRP CA C 60.702 0.054 1 309 179 31 TRP CB C 30.098 0.048 1 310 179 31 TRP CD1 C 128.893 0.05 1 311 179 31 TRP CE3 C 120.191 0.05 1 312 179 31 TRP CZ2 C 114.474 0.05 1 313 179 31 TRP CZ3 C 120.365 0.05 1 314 179 31 TRP CH2 C 124.034 0.05 1 315 179 31 TRP N N 125.415 0.056 1 316 179 31 TRP NE1 N 130.846 0.021 1 317 180 32 ASP H H 8.74 0.003 1 318 180 32 ASP HA H 4.48 0.013 1 319 180 32 ASP HB3 H 2.666 0.008 1 320 180 32 ASP C C 179.109 0.05 1 321 180 32 ASP CA C 57.553 0.111 1 322 180 32 ASP CB C 39.449 0.062 1 323 180 32 ASP N N 117.166 0.034 1 324 181 33 ASP H H 7.713 0.003 1 325 181 33 ASP HA H 4.493 0.004 1 326 181 33 ASP HB3 H 2.686 0.004 1 327 181 33 ASP C C 179.288 0.05 1 328 181 33 ASP CA C 57.069 0.042 1 329 181 33 ASP CB C 40.808 0.066 1 330 181 33 ASP N N 121.203 0.03 1 331 182 34 ILE H H 7.979 0.003 1 332 182 34 ILE HA H 3.479 0.008 1 333 182 34 ILE HB H 2.047 0.004 1 334 182 34 ILE HG12 H 0.688 0.007 2 335 182 34 ILE HG13 H 1.597 0.006 2 336 182 34 ILE HG2 H 0.853 0.004 1 337 182 34 ILE HD1 H 0.372 0.004 1 338 182 34 ILE C C 176.679 0.05 1 339 182 34 ILE CA C 65.867 0.084 1 340 182 34 ILE CB C 37.745 0.074 1 341 182 34 ILE CG1 C 30.293 0.041 1 342 182 34 ILE CG2 C 16.419 0.07 1 343 182 34 ILE CD1 C 13.24 0.052 1 344 182 34 ILE N N 122.718 0.033 1 345 183 35 GLU H H 8.938 0.002 1 346 183 35 GLU HA H 3.856 0.004 1 347 183 35 GLU HB2 H 2.115 0.004 2 348 183 35 GLU HB3 H 2.183 0.004 2 349 183 35 GLU C C 178.061 0.05 1 350 183 35 GLU CA C 61.19 0.043 1 351 183 35 GLU CB C 29.306 0.052 1 352 183 35 GLU CG C 36.748 0.05 1 353 183 35 GLU N N 122.734 0.028 1 354 184 36 ALA H H 7.675 0.002 1 355 184 36 ALA HA H 4.022 0.004 1 356 184 36 ALA HB H 1.524 0.005 1 357 184 36 ALA C C 180.257 0.05 1 358 184 36 ALA CA C 55.378 0.062 1 359 184 36 ALA CB C 18.118 0.063 1 360 184 36 ALA N N 119.761 0.057 1 361 185 37 LEU H H 7.563 0.004 1 362 185 37 LEU HA H 4.168 0.007 1 363 185 37 LEU HB2 H 1.979 0.004 2 364 185 37 LEU HB3 H 1.741 0.004 2 365 185 37 LEU HG H 1.665 0.004 1 366 185 37 LEU HD1 H 0.838 0.003 2 367 185 37 LEU HD2 H 0.72 0.013 2 368 185 37 LEU C C 179.866 0.05 1 369 185 37 LEU CA C 58.236 0.064 1 370 185 37 LEU CB C 41.824 0.027 1 371 185 37 LEU CG C 27.088 0.05 1 372 185 37 LEU CD1 C 26.114 0.023 2 373 185 37 LEU CD2 C 25.971 0.044 2 374 185 37 LEU N N 120.85 0.026 1 375 186 38 LEU H H 8.633 0.002 1 376 186 38 LEU HA H 3.677 0.004 1 377 186 38 LEU HB2 H 1.244 0.007 2 378 186 38 LEU HB3 H 2.208 0.006 2 379 186 38 LEU HG H 2.043 0.004 1 380 186 38 LEU HD1 H 0.577 0.006 2 381 186 38 LEU HD2 H 0.869 0.003 2 382 186 38 LEU C C 178.449 0.05 1 383 186 38 LEU CA C 57.844 0.041 1 384 186 38 LEU CB C 41.641 0.027 1 385 186 38 LEU CG C 26.163 0.05 1 386 186 38 LEU CD1 C 22.252 0.031 2 387 186 38 LEU CD2 C 27.342 0.056 2 388 186 38 LEU N N 120.391 0.053 1 389 187 39 LYS H H 8.641 0.002 1 390 187 39 LYS HA H 3.778 0.005 1 391 187 39 LYS HB2 H 1.955 0.004 1 392 187 39 LYS HB3 H 1.955 0.004 1 393 187 39 LYS HG2 H 1.475 0.008 2 394 187 39 LYS HG3 H 1.734 0.015 2 395 187 39 LYS HD3 H 1.741 0.004 1 396 187 39 LYS HE2 H 2.933 0.004 2 397 187 39 LYS HE3 H 3.008 0.004 2 398 187 39 LYS C C 178.295 0.05 1 399 187 39 LYS CA C 60.595 0.034 1 400 187 39 LYS CB C 32.354 0.003 1 401 187 39 LYS CG C 26.563 0.07 1 402 187 39 LYS CD C 29.868 0.003 1 403 187 39 LYS CE C 41.936 0.05 1 404 187 39 LYS N N 119.67 0.038 1 405 188 40 ASN H H 7.411 0.004 1 406 188 40 ASN HA H 4.529 0.008 1 407 188 40 ASN HB2 H 2.881 0.004 2 408 188 40 ASN HB3 H 2.919 0.002 2 409 188 40 ASN HD21 H 6.894 0.004 1 410 188 40 ASN HD22 H 7.642 0.004 1 411 188 40 ASN C C 177.759 0.05 1 412 188 40 ASN CA C 55.888 0.091 1 413 188 40 ASN CB C 38.679 0.075 1 414 188 40 ASN N N 115.677 0.049 1 415 188 40 ASN ND2 N 113.298 0.143 1 416 189 41 ASN H H 8.367 0.003 1 417 189 41 ASN HA H 4.279 0.004 1 418 189 41 ASN HB2 H 2.436 0.002 2 419 189 41 ASN HB3 H 2.358 0.003 2 420 189 41 ASN HD21 H 5.894 0.004 1 421 189 41 ASN HD22 H 7.192 0.001 1 422 189 41 ASN C C 176.175 0.05 1 423 189 41 ASN CA C 56.664 0.071 1 424 189 41 ASN CB C 39.68 0.044 1 425 189 41 ASN N N 119.819 0.085 1 426 189 41 ASN ND2 N 110.917 0.02 1 427 190 42 PHE H H 8.424 0.003 1 428 190 42 PHE HA H 4.96 0.002 1 429 190 42 PHE HB2 H 2.845 0.004 2 430 190 42 PHE HB3 H 3.59 0.003 2 431 190 42 PHE HD1 H 7.27 0.004 3 432 190 42 PHE HD2 H 7.27 0.004 3 433 190 42 PHE HE1 H 7.277 0.004 3 434 190 42 PHE HE2 H 7.277 0.004 3 435 190 42 PHE HZ H 7.296 0.004 1 436 190 42 PHE C C 175.606 0.05 1 437 190 42 PHE CA C 55.918 0.033 1 438 190 42 PHE CB C 37.143 0.054 1 439 190 42 PHE CD1 C 130.79 0.05 3 440 190 42 PHE CD2 C 130.79 0.05 3 441 190 42 PHE CE1 C 131.466 0.05 3 442 190 42 PHE CE2 C 131.466 0.05 3 443 190 42 PHE CZ C 128.868 0.05 1 444 190 42 PHE N N 115.91 0.025 1 445 191 43 GLU H H 7.813 0.003 1 446 191 43 GLU HA H 4.003 0.003 1 447 191 43 GLU HB2 H 2.067 0.005 2 448 191 43 GLU HB3 H 2.155 0.012 2 449 191 43 GLU HG2 H 2.242 0.005 1 450 191 43 GLU HG3 H 2.242 0.005 1 451 191 43 GLU C C 176.533 0.05 1 452 191 43 GLU CA C 57.986 0.025 1 453 191 43 GLU CB C 27.992 0.037 1 454 191 43 GLU CG C 36.45 0.055 1 455 191 43 GLU N N 119.788 0.045 1 456 192 44 ASN H H 9.162 0.002 1 457 192 44 ASN HA H 4.257 0.005 1 458 192 44 ASN HB2 H 2.885 0.01 2 459 192 44 ASN HB3 H 3.087 0.007 2 460 192 44 ASN HD21 H 6.897 0.004 1 461 192 44 ASN HD22 H 7.614 0.004 1 462 192 44 ASN C C 174.399 0.05 1 463 192 44 ASN CA C 54.532 0.058 1 464 192 44 ASN CB C 37.989 0.028 1 465 192 44 ASN N N 111.889 0.042 1 466 192 44 ASN ND2 N 113.111 0.001 1 467 193 45 ASP H H 7.571 0.003 1 468 193 45 ASP HA H 4.773 0.001 1 469 193 45 ASP HB2 H 3.033 0.008 2 470 193 45 ASP HB3 H 2.654 0.007 2 471 193 45 ASP C C 175.994 0.05 1 472 193 45 ASP CA C 53.393 0.071 1 473 193 45 ASP CB C 40.525 0.092 1 474 193 45 ASP N N 118.609 0.047 1 475 194 46 GLN H H 8.483 0.002 1 476 194 46 GLN HA H 3.947 0.008 1 477 194 46 GLN HB2 H 2.093 0.004 2 478 194 46 GLN HB3 H 2.15 0.004 2 479 194 46 GLN HG2 H 2.445 0.003 2 480 194 46 GLN HG3 H 2.527 0.004 2 481 194 46 GLN HE21 H 7.478 0.001 1 482 194 46 GLN HE22 H 6.806 0.002 1 483 194 46 GLN C C 178.265 0.05 1 484 194 46 GLN CA C 58.622 0.044 1 485 194 46 GLN CB C 28.41 0.094 1 486 194 46 GLN CG C 33.944 0.032 1 487 194 46 GLN N N 124.969 0.047 1 488 194 46 GLN NE2 N 111.426 0.018 1 489 195 47 ALA H H 8.259 0.004 1 490 195 47 ALA HA H 4.118 0.005 1 491 195 47 ALA HB H 1.473 0.005 1 492 195 47 ALA C C 180.158 0.05 1 493 195 47 ALA CA C 55.047 0.053 1 494 195 47 ALA CB C 17.99 0.046 1 495 195 47 ALA N N 122.283 0.047 1 496 196 48 ALA H H 7.576 0.003 1 497 196 48 ALA HA H 3.885 0.004 1 498 196 48 ALA HB H 0.994 0.004 1 499 196 48 ALA C C 179.094 0.05 1 500 196 48 ALA CA C 54.761 0.059 1 501 196 48 ALA CB C 18.09 0.036 1 502 196 48 ALA N N 122.453 0.019 1 503 197 49 VAL H H 7.635 0.003 1 504 197 49 VAL HA H 3.262 0.005 1 505 197 49 VAL HB H 2.147 0.006 1 506 197 49 VAL HG1 H 0.983 0.002 2 507 197 49 VAL HG2 H 1.034 0.002 2 508 197 49 VAL C C 177.538 0.05 1 509 197 49 VAL CA C 67.33 0.041 1 510 197 49 VAL CB C 32.065 0.072 1 511 197 49 VAL CG1 C 21.981 0.045 2 512 197 49 VAL CG2 C 23.546 0.034 2 513 197 49 VAL N N 115.834 0.042 1 514 198 50 ARG H H 8.022 0.003 1 515 198 50 ARG HA H 3.966 0.003 1 516 198 50 ARG HB2 H 1.933 0.004 2 517 198 50 ARG HB3 H 2.037 0.004 2 518 198 50 ARG HG2 H 1.654 0.009 2 519 198 50 ARG HG3 H 1.717 0.008 2 520 198 50 ARG HD3 H 3.212 0.003 1 521 198 50 ARG C C 178.504 0.05 1 522 198 50 ARG CA C 59.205 0.035 1 523 198 50 ARG CB C 29.917 0.031 1 524 198 50 ARG CG C 26.691 0.048 1 525 198 50 ARG CD C 43.36 0.077 1 526 198 50 ARG N N 117.335 0.047 1 527 199 51 GLN H H 7.849 0.003 1 528 199 51 GLN HA H 4.079 0.003 1 529 199 51 GLN HB2 H 2.141 0.004 2 530 199 51 GLN HB3 H 2.197 0.004 2 531 199 51 GLN HG2 H 2.321 0.003 2 532 199 51 GLN HG3 H 2.522 0.001 2 533 199 51 GLN HE21 H 6.854 0.001 1 534 199 51 GLN HE22 H 7.241 0.001 1 535 199 51 GLN C C 179.594 0.05 1 536 199 51 GLN CA C 59.209 0.085 1 537 199 51 GLN CB C 29.186 0.033 1 538 199 51 GLN CG C 34.544 0.058 1 539 199 51 GLN N N 117.513 0.042 1 540 199 51 GLN NE2 N 110.646 0.023 1 541 200 52 VAL H H 8.189 0.003 1 542 200 52 VAL HA H 3.984 0.006 1 543 200 52 VAL HB H 2.218 0.002 1 544 200 52 VAL HG1 H 1.203 0.004 2 545 200 52 VAL HG2 H 0.978 0.003 2 546 200 52 VAL C C 177.885 0.05 1 547 200 52 VAL CA C 67.197 0.044 1 548 200 52 VAL CB C 31.849 0.093 1 549 200 52 VAL CG1 C 24.432 0.023 2 550 200 52 VAL CG2 C 23.333 0.035 2 551 200 52 VAL N N 120.041 0.049 1 552 201 53 MET H H 8.824 0.004 1 553 201 53 MET HA H 4.384 0.006 1 554 201 53 MET HB2 H 1.727 0.004 2 555 201 53 MET HB3 H 1.638 0.004 2 556 201 53 MET HG2 H 2.299 0.004 2 557 201 53 MET HG3 H 1.918 0.004 2 558 201 53 MET HE H 2.152 0.001 1 559 201 53 MET C C 178.909 0.05 1 560 201 53 MET CA C 56.727 0.051 1 561 201 53 MET CB C 30.041 0.05 1 562 201 53 MET CG C 32.572 0.05 1 563 201 53 MET CE C 16.831 0.024 1 564 201 53 MET N N 118.36 0.032 1 565 202 54 GLU H H 8.61 0.002 1 566 202 54 GLU HA H 3.971 0.012 1 567 202 54 GLU HB2 H 2.126 0.004 2 568 202 54 GLU HB3 H 1.986 0.004 2 569 202 54 GLU HG2 H 2.474 0.003 2 570 202 54 GLU HG3 H 2.216 0.002 2 571 202 54 GLU C C 179.317 0.05 1 572 202 54 GLU CA C 59.753 0.081 1 573 202 54 GLU CB C 29.433 0.081 1 574 202 54 GLU CG C 36.903 0.057 1 575 202 54 GLU N N 117.888 0.054 1 576 203 55 ARG H H 7.585 0.003 1 577 203 55 ARG HA H 4.137 0.01 1 578 203 55 ARG HB2 H 1.931 0.004 2 579 203 55 ARG HB3 H 1.997 0.005 2 580 203 55 ARG HG2 H 1.611 0.011 2 581 203 55 ARG HG3 H 0.982 0.018 2 582 203 55 ARG HD2 H 1.575 0.018 2 583 203 55 ARG HD3 H 2.571 0.005 2 584 203 55 ARG HE H 5.5 0.002 1 585 203 55 ARG C C 178.586 0.05 1 586 203 55 ARG CA C 59.981 0.038 1 587 203 55 ARG CB C 29.915 0.015 1 588 203 55 ARG CG C 27.613 0.044 1 589 203 55 ARG CD C 43.152 0.074 1 590 203 55 ARG N N 120.547 0.043 1 591 204 56 LEU H H 9.15 0.003 1 592 204 56 LEU HA H 4.741 0.009 1 593 204 56 LEU HB2 H 2.488 0.004 2 594 204 56 LEU HB3 H 1.848 0.007 2 595 204 56 LEU HG H 2.39 0.006 1 596 204 56 LEU HD1 H 1.291 0.003 2 597 204 56 LEU HD2 H 0.963 0.005 2 598 204 56 LEU C C 180.65 0.05 1 599 204 56 LEU CA C 58.247 0.105 1 600 204 56 LEU CB C 43.834 0.085 1 601 204 56 LEU CG C 26.811 0.123 1 602 204 56 LEU CD1 C 25.375 0.031 2 603 204 56 LEU CD2 C 26.697 0.061 2 604 204 56 LEU N N 119.246 0.035 1 605 205 57 GLN H H 8.529 0.003 1 606 205 57 GLN HA H 3.836 0.006 1 607 205 57 GLN HB2 H 1.567 0.01 2 608 205 57 GLN HB3 H 1.849 0.006 2 609 205 57 GLN HG2 H 1.666 0.002 2 610 205 57 GLN HG3 H -0.049 0.01 2 611 205 57 GLN HE21 H 4.656 0.004 1 612 205 57 GLN HE22 H 6.568 0.004 1 613 205 57 GLN C C 179.341 0.05 1 614 205 57 GLN CA C 59.618 0.042 1 615 205 57 GLN CB C 28.153 0.061 1 616 205 57 GLN CG C 33.8 0.133 1 617 205 57 GLN N N 117.821 0.045 1 618 205 57 GLN NE2 N 108.027 0.033 1 619 206 58 LYS H H 8.449 0.006 1 620 206 58 LYS HA H 4.176 0.008 1 621 206 58 LYS HB2 H 1.882 0.003 2 622 206 58 LYS HB3 H 2.018 0.003 2 623 206 58 LYS HG2 H 1.565 0.006 2 624 206 58 LYS HG3 H 1.361 0.006 2 625 206 58 LYS HD3 H 1.743 0.004 1 626 206 58 LYS HE3 H 2.945 0.004 1 627 206 58 LYS C C 180.26 0.05 1 628 206 58 LYS CA C 59.4 0.048 1 629 206 58 LYS CB C 32.555 0.034 1 630 206 58 LYS CG C 25.183 0.07 1 631 206 58 LYS CD C 29.426 0.05 1 632 206 58 LYS CE C 42.049 0.007 1 633 206 58 LYS N N 122.702 0.045 1 634 207 59 GLY H H 8.98 0.003 1 635 207 59 GLY HA2 H 3.649 0.006 2 636 207 59 GLY HA3 H 4.226 0.01 2 637 207 59 GLY C C 175.772 0.05 1 638 207 59 GLY CA C 48.776 0.068 1 639 207 59 GLY N N 108.195 0.053 1 640 208 60 TRP H H 8.539 0.003 1 641 208 60 TRP HA H 4.317 0.01 1 642 208 60 TRP HB2 H 3.84 0.007 2 643 208 60 TRP HB3 H 3.929 0.006 2 644 208 60 TRP HD1 H 7.486 0.004 1 645 208 60 TRP HE1 H 10.539 0.002 1 646 208 60 TRP HE3 H 7.502 0.004 1 647 208 60 TRP HZ2 H 7.573 0.004 1 648 208 60 TRP HZ3 H 7.495 0.004 1 649 208 60 TRP HH2 H 7.049 0.004 1 650 208 60 TRP C C 178.892 0.05 1 651 208 60 TRP CA C 61.295 0.042 1 652 208 60 TRP CB C 30.038 0.063 1 653 208 60 TRP CD1 C 127.336 0.05 1 654 208 60 TRP CE3 C 121.556 0.05 1 655 208 60 TRP CZ2 C 115.439 0.05 1 656 208 60 TRP CZ3 C 119.532 0.05 1 657 208 60 TRP CH2 C 123.775 0.05 1 658 208 60 TRP N N 122.252 0.055 1 659 208 60 TRP NE1 N 130.856 0.02 1 660 209 61 SER H H 7.506 0.005 1 661 209 61 SER HA H 4.35 0.004 1 662 209 61 SER HB3 H 4.129 0.005 1 663 209 61 SER C C 175.979 0.05 1 664 209 61 SER CA C 61.244 0.033 1 665 209 61 SER CB C 63.501 0.079 1 666 209 61 SER N N 111.947 0.053 1 667 210 62 LEU H H 7.847 0.002 1 668 210 62 LEU HA H 4.265 0.004 1 669 210 62 LEU HB2 H 1.957 0.013 2 670 210 62 LEU HB3 H 1.535 0.006 2 671 210 62 LEU HD1 H 0.906 0.007 2 672 210 62 LEU HD2 H 0.826 0.005 2 673 210 62 LEU C C 177.971 0.05 1 674 210 62 LEU CA C 56.547 0.051 1 675 210 62 LEU CB C 43.115 0.055 1 676 210 62 LEU CD1 C 22.266 0.04 2 677 210 62 LEU CD2 C 25.572 0.006 2 678 210 62 LEU N N 121.081 0.049 1 679 211 63 ALA H H 7.805 0.001 1 680 211 63 ALA HA H 4.235 0.005 1 681 211 63 ALA HB H 1.331 0.005 1 682 211 63 ALA C C 174.771 0.05 1 683 211 63 ALA CA C 51.86 0.025 1 684 211 63 ALA CB C 19.824 0.026 1 685 211 63 ALA N N 121.059 0.06 1 686 212 64 LYS H H 6.938 0.006 1 687 212 64 LYS HA H 3.642 0.008 1 688 212 64 LYS HB3 H 1.642 0.005 1 689 212 64 LYS HG2 H 1.345 0.007 2 690 212 64 LYS HG3 H 1.283 0.007 2 691 212 64 LYS HE3 H 3.013 0.001 1 692 212 64 LYS CA C 58.679 0.074 1 693 212 64 LYS CB C 33.495 0.081 1 694 212 64 LYS CG C 24.641 0.069 1 695 212 64 LYS CE C 42.073 0.039 1 696 212 64 LYS N N 124.038 0.028 1 stop_ save_