data_27503 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side chain NMR assignments for the ribosome Elongation Factor P (EfP) from Staphylococcus aureus ; _BMRB_accession_number 27503 _BMRB_flat_file_name bmr27503.str _Entry_type original _Submission_date 2018-06-04 _Accession_date 2018-06-04 _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 Golubev Alexander . . 2 Validov Shamil . . 3 Klochkov Vladimir . . 4 Aganov Albert . . 5 Khusainov Iskander . . 6 Yusupov Marat . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 572 "13C chemical shifts" 556 "15N chemical shifts" 152 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-10-03 original BMRB . stop_ _Original_release_date 2018-06-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone and side chain NMR assignments for the ribosome Elongation Factor P (EF-P) from Staphylococcus aureus ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30099718 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Usachev Konstantin . . 2 Golubev Alexander . . 3 Validov Shamil . . 4 Klochkov Vladimir . . 5 Aganov Albert . . 6 Khusainov Iskander . . 7 Yusupov Marat . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 12 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 351 _Page_last 355 _Year 2018 _Details . loop_ _Keyword EfP 'Elongation Factor P' 'Staphylococcus aureus' ribosome stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Ef-P _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Ef-P $Ef-P stop_ _System_molecular_weight 20545.9478 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Ef-P _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Ef-P _Molecular_mass 20545.9478 _Mol_thiol_state 'not present' loop_ _Biological_function 'ribosome elongation factor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 185 _Mol_residue_sequence ; MISVNDFKTGLTISVDNAIW KVIDFQHVKPGKGSAFVRSK LRNLRTGAIQEKTFRAGEKV EPAMIENRRMQYLYADGDNH VFMDNESFEQTELSSDYLKE ELNYLKEGMEVQIQTYEGET IGVELPKTVELTVTETEPGI KGDTATGATKSATVETGYTL NVPLFVNEGDVLIINTGDGS YISRG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ILE 3 SER 4 VAL 5 ASN 6 ASP 7 PHE 8 LYS 9 THR 10 GLY 11 LEU 12 THR 13 ILE 14 SER 15 VAL 16 ASP 17 ASN 18 ALA 19 ILE 20 TRP 21 LYS 22 VAL 23 ILE 24 ASP 25 PHE 26 GLN 27 HIS 28 VAL 29 LYS 30 PRO 31 GLY 32 LYS 33 GLY 34 SER 35 ALA 36 PHE 37 VAL 38 ARG 39 SER 40 LYS 41 LEU 42 ARG 43 ASN 44 LEU 45 ARG 46 THR 47 GLY 48 ALA 49 ILE 50 GLN 51 GLU 52 LYS 53 THR 54 PHE 55 ARG 56 ALA 57 GLY 58 GLU 59 LYS 60 VAL 61 GLU 62 PRO 63 ALA 64 MET 65 ILE 66 GLU 67 ASN 68 ARG 69 ARG 70 MET 71 GLN 72 TYR 73 LEU 74 TYR 75 ALA 76 ASP 77 GLY 78 ASP 79 ASN 80 HIS 81 VAL 82 PHE 83 MET 84 ASP 85 ASN 86 GLU 87 SER 88 PHE 89 GLU 90 GLN 91 THR 92 GLU 93 LEU 94 SER 95 SER 96 ASP 97 TYR 98 LEU 99 LYS 100 GLU 101 GLU 102 LEU 103 ASN 104 TYR 105 LEU 106 LYS 107 GLU 108 GLY 109 MET 110 GLU 111 VAL 112 GLN 113 ILE 114 GLN 115 THR 116 TYR 117 GLU 118 GLY 119 GLU 120 THR 121 ILE 122 GLY 123 VAL 124 GLU 125 LEU 126 PRO 127 LYS 128 THR 129 VAL 130 GLU 131 LEU 132 THR 133 VAL 134 THR 135 GLU 136 THR 137 GLU 138 PRO 139 GLY 140 ILE 141 LYS 142 GLY 143 ASP 144 THR 145 ALA 146 THR 147 GLY 148 ALA 149 THR 150 LYS 151 SER 152 ALA 153 THR 154 VAL 155 GLU 156 THR 157 GLY 158 TYR 159 THR 160 LEU 161 ASN 162 VAL 163 PRO 164 LEU 165 PHE 166 VAL 167 ASN 168 GLU 169 GLY 170 ASP 171 VAL 172 LEU 173 ILE 174 ILE 175 ASN 176 THR 177 GLY 178 ASP 179 GLY 180 SER 181 TYR 182 ILE 183 SER 184 ARG 185 GLY 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 $Ef-P 'Staphylococcus aureus' 1280 Bacteria . Staphylococcus aureus 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 $Ef-P 'recombinant technology' . Escherichia coli . pET28a 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 $Ef-P 1.3 mM '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.4 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'chemical shift assignment' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_AVANCE_700 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _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_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _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 pH 7.6 . pH temperature 308 . 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 na C 13 'methyl carbon' na 0 na direct . . . 1 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 na N 15 nitrogen na 0 na direct . . . 1 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CcpNmr_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '2D 1H-1H NOESY' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' 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 Ef-P _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 2 2 ILE H H 9.003 0.003 1 2 2 2 ILE HA H 4.333 0.011 1 3 2 2 ILE HB H 1.732 0.008 1 4 2 2 ILE C C 175.434 . 1 5 2 2 ILE CA C 57.197 0.085 1 6 2 2 ILE CB C 37.667 0.029 1 7 2 2 ILE CG1 C 24.487 . 1 8 2 2 ILE CG2 C 14.644 . 1 9 2 2 ILE CD1 C 11.407 . 1 10 2 2 ILE N N 120.012 0.026 1 11 3 3 SER H H 8.957 0.008 1 12 3 3 SER C C 177.126 0.009 1 13 3 3 SER CA C 54.663 0.079 1 14 3 3 SER CB C 61.698 0.11 1 15 3 3 SER N N 119.885 0.019 1 16 4 4 VAL H H 8.341 0.003 1 17 4 4 VAL HA H 4.450 0.003 1 18 4 4 VAL HB H 1.908 0.005 1 19 4 4 VAL HG1 H 0.699 0.01 2 20 4 4 VAL HG2 H 0.225 0.004 2 21 4 4 VAL C C 176.602 0.007 1 22 4 4 VAL CA C 61.162 0.064 1 23 4 4 VAL CB C 27.584 0.041 1 24 4 4 VAL CG1 C 16.548 0.036 2 25 4 4 VAL CG2 C 18.637 0.032 2 26 4 4 VAL N N 120.982 0.049 1 27 5 5 ASN H H 7.857 0.008 1 28 5 5 ASN HA H 4.261 0.02 1 29 5 5 ASN HB2 H 2.478 0.003 1 30 5 5 ASN C C 176.102 . 1 31 5 5 ASN CA C 52.426 0.047 1 32 5 5 ASN CB C 34.950 0.028 1 33 5 5 ASN N N 117.099 0.059 1 34 6 6 ASP H H 7.929 0.004 1 35 6 6 ASP HA H 4.755 0.019 1 36 6 6 ASP HB2 H 2.895 0.015 1 37 6 6 ASP C C 175.508 0.025 1 38 6 6 ASP CA C 51.249 0.04 1 39 6 6 ASP CB C 38.541 0.035 1 40 6 6 ASP N N 118.472 0.028 1 41 7 7 PHE H H 7.061 0.005 1 42 7 7 PHE HA H 3.789 0.015 1 43 7 7 PHE HB2 H 2.315 0.008 2 44 7 7 PHE HB3 H 2.424 0.007 2 45 7 7 PHE HD1 H 6.733 0.022 1 46 7 7 PHE HD2 H 6.733 0.022 1 47 7 7 PHE HE1 H 6.575 0.023 1 48 7 7 PHE HE2 H 6.575 0.023 1 49 7 7 PHE C C 173.768 0.031 1 50 7 7 PHE CA C 55.500 0.038 1 51 7 7 PHE CB C 34.859 0.017 1 52 7 7 PHE N N 119.413 0.021 1 53 8 8 LYS H H 6.123 0.007 1 54 8 8 LYS HA H 4.675 0.016 1 55 8 8 LYS C C 175.532 0.039 1 56 8 8 LYS CA C 51.640 0.032 1 57 8 8 LYS CB C 33.315 0.062 1 58 8 8 LYS CG C 21.488 . 1 59 8 8 LYS N N 113.926 0.017 1 60 9 9 THR H H 8.915 0.005 1 61 9 9 THR HA H 3.767 0.046 1 62 9 9 THR HB H 4.179 0.002 1 63 9 9 THR HG2 H 0.815 0.021 1 64 9 9 THR C C 175.774 . 1 65 9 9 THR CA C 62.241 0.031 1 66 9 9 THR CB C 65.873 0.043 1 67 9 9 THR CG2 C 20.248 0.019 1 68 9 9 THR N N 116.944 0.02 1 69 10 10 GLY H H 9.187 0.004 1 70 10 10 GLY HA2 H 3.813 0.003 2 71 10 10 GLY HA3 H 4.426 0.01 2 72 10 10 GLY C C 173.649 0.007 1 73 10 10 GLY CA C 42.515 0.026 1 74 10 10 GLY N N 113.301 0.089 1 75 11 11 LEU H H 7.150 0.012 1 76 11 11 LEU HA H 4.228 0.011 1 77 11 11 LEU HB2 H 1.383 0.012 1 78 11 11 LEU C C 175.801 0.048 1 79 11 11 LEU CA C 52.931 0.022 1 80 11 11 LEU CB C 41.228 0.023 1 81 11 11 LEU CD1 C 23.389 . 2 82 11 11 LEU CD2 C 21.760 . 2 83 11 11 LEU N N 121.085 0.064 1 84 12 12 THR H H 7.975 0.008 1 85 12 12 THR HA H 5.640 0.011 1 86 12 12 THR HB H 3.971 0.012 1 87 12 12 THR C C 175.488 0.009 1 88 12 12 THR CA C 56.550 0.038 1 89 12 12 THR CB C 66.826 0.028 1 90 12 12 THR CG2 C 20.445 . 1 91 12 12 THR N N 115.194 0.047 1 92 13 13 ILE H H 9.090 0.01 1 93 13 13 ILE HA H 5.036 0.01 1 94 13 13 ILE HB H 1.761 0.013 1 95 13 13 ILE HD1 H 0.467 0.011 1 96 13 13 ILE C C 173.667 0.012 1 97 13 13 ILE CA C 56.837 0.064 1 98 13 13 ILE CB C 40.264 0.029 1 99 13 13 ILE CD1 C 15.367 0.016 1 100 13 13 ILE N N 118.092 0.023 1 101 14 14 SER H H 8.830 0.007 1 102 14 14 SER HA H 5.600 0.01 1 103 14 14 SER HB2 H 3.696 0.005 2 104 14 14 SER HB3 H 3.487 0.003 2 105 14 14 SER C C 174.694 0.021 1 106 14 14 SER CA C 53.128 0.098 1 107 14 14 SER CB C 61.354 0.045 1 108 14 14 SER N N 117.317 0.025 1 109 15 15 VAL H H 8.630 0.007 1 110 15 15 VAL HA H 4.504 0.003 1 111 15 15 VAL HB H 2.098 0.006 1 112 15 15 VAL C C 175.145 . 1 113 15 15 VAL CA C 59.129 0.025 1 114 15 15 VAL CB C 32.226 0.002 1 115 15 15 VAL N N 123.582 0.015 1 116 16 16 ASP HA H 4.535 0.004 1 117 16 16 ASP HB2 H 2.863 0.001 1 118 16 16 ASP C C 175.043 . 1 119 16 16 ASP CA C 53.420 0.051 1 120 16 16 ASP CB C 36.479 0.01 1 121 17 17 ASN H H 8.879 0.013 1 122 17 17 ASN HA H 4.284 0.012 1 123 17 17 ASN HB2 H 2.899 0.01 2 124 17 17 ASN HB3 H 3.112 0.006 2 125 17 17 ASN C C 173.493 0.026 1 126 17 17 ASN CA C 51.852 0.037 1 127 17 17 ASN CB C 34.875 0.051 1 128 17 17 ASN N N 110.901 0.088 1 129 18 18 ALA H H 7.866 0.012 1 130 18 18 ALA HA H 4.479 0.007 1 131 18 18 ALA HB H 1.121 0.015 1 132 18 18 ALA C C 174.626 0.005 1 133 18 18 ALA CA C 48.241 0.092 1 134 18 18 ALA CB C 19.673 0.042 1 135 18 18 ALA N N 121.576 0.016 1 136 19 19 ILE H H 7.541 0.004 1 137 19 19 ILE HA H 5.088 0.016 1 138 19 19 ILE HB H 1.770 0.008 1 139 19 19 ILE HD1 H 0.716 0.004 1 140 19 19 ILE C C 175.371 0.031 1 141 19 19 ILE CA C 56.697 0.036 1 142 19 19 ILE CB C 37.348 0.044 1 143 19 19 ILE CD1 C 15.434 0.008 1 144 19 19 ILE N N 114.003 0.008 1 145 20 20 TRP H H 8.956 0.006 1 146 20 20 TRP HA H 5.539 0.014 1 147 20 20 TRP HB2 H 2.606 0.002 1 148 20 20 TRP HD1 H 7.107 0.008 1 149 20 20 TRP HE1 H 10.150 0.009 1 150 20 20 TRP C C 175.027 0.019 1 151 20 20 TRP CA C 52.317 0.045 1 152 20 20 TRP CB C 31.937 0.04 1 153 20 20 TRP N N 122.578 0.125 1 154 20 20 TRP NE1 N 131.254 0.039 1 155 21 21 LYS H H 9.274 0.006 1 156 21 21 LYS HA H 5.224 0.015 1 157 21 21 LYS HB2 H 1.563 0.002 2 158 21 21 LYS HB3 H 1.676 0.003 2 159 21 21 LYS C C 176.368 0.019 1 160 21 21 LYS CA C 51.343 0.027 1 161 21 21 LYS CB C 34.184 0.078 1 162 21 21 LYS CD C 31.052 . 1 163 21 21 LYS N N 120.971 0.026 1 164 22 22 VAL H H 8.916 0.006 1 165 22 22 VAL HA H 3.993 0.027 1 166 22 22 VAL HB H 2.163 0.004 1 167 22 22 VAL HG1 H 0.701 0.005 2 168 22 22 VAL HG2 H 0.331 0.006 2 169 22 22 VAL C C 176.058 0.0 1 170 22 22 VAL CA C 61.103 0.034 1 171 22 22 VAL CB C 28.994 0.028 1 172 22 22 VAL CG1 C 19.490 0.039 2 173 22 22 VAL CG2 C 18.129 0.027 2 174 22 22 VAL N N 125.901 0.028 1 175 23 23 ILE H H 9.090 0.008 1 176 23 23 ILE HA H 4.391 0.011 1 177 23 23 ILE HB H 1.916 0.005 1 178 23 23 ILE HG12 H 1.365 0.01 2 179 23 23 ILE HG13 H 1.258 0.003 2 180 23 23 ILE HG2 H 0.722 0.01 1 181 23 23 ILE C C 175.762 0.014 1 182 23 23 ILE CA C 59.242 0.084 1 183 23 23 ILE CB C 35.435 0.037 1 184 23 23 ILE CG1 C 24.474 0.006 1 185 23 23 ILE CG2 C 15.119 0.006 1 186 23 23 ILE N N 128.940 0.065 1 187 24 24 ASP H H 7.997 0.008 1 188 24 24 ASP HA H 4.779 0.015 1 189 24 24 ASP HB2 H 2.795 0.003 1 190 24 24 ASP C C 174.036 0.006 1 191 24 24 ASP CA C 50.925 0.063 1 192 24 24 ASP CB C 41.503 0.026 1 193 24 24 ASP N N 116.684 0.023 1 194 25 25 PHE H H 8.152 0.01 1 195 25 25 PHE HA H 5.449 0.01 1 196 25 25 PHE HB2 H 3.182 0.003 2 197 25 25 PHE HB3 H 2.708 0.005 2 198 25 25 PHE C C 172.465 0.005 1 199 25 25 PHE CA C 54.595 0.021 1 200 25 25 PHE CB C 37.613 0.037 1 201 25 25 PHE N N 117.080 0.112 1 202 26 26 GLN H H 8.717 0.007 1 203 26 26 GLN HA H 5.206 0.012 1 204 26 26 GLN HB2 H 1.855 0.014 1 205 26 26 GLN C C 174.140 0.015 1 206 26 26 GLN CA C 52.210 0.027 1 207 26 26 GLN CB C 29.713 0.007 1 208 26 26 GLN N N 118.170 0.035 1 209 27 27 HIS H H 8.921 0.004 1 210 27 27 HIS HA H 4.816 0.014 1 211 27 27 HIS HB2 H 2.964 0.006 1 212 27 27 HIS C C 175.144 0.018 1 213 27 27 HIS CA C 54.037 0.087 1 214 27 27 HIS CB C 28.961 0.049 1 215 27 27 HIS N N 125.877 0.049 1 216 28 28 VAL H H 8.838 0.01 1 217 28 28 VAL HA H 3.943 0.015 1 218 28 28 VAL HB H 2.081 0.001 1 219 28 28 VAL HG1 H 0.581 0.014 1 220 28 28 VAL C C 173.963 0.002 1 221 28 28 VAL CA C 59.344 0.04 1 222 28 28 VAL CB C 30.238 0.094 1 223 28 28 VAL CG1 C 18.199 0.002 1 224 28 28 VAL N N 127.299 0.051 1 225 29 29 LYS H H 8.448 0.015 1 226 29 29 LYS C C 173.861 . 1 227 29 29 LYS CA C 50.304 . 1 228 29 29 LYS N N 126.584 0.072 1 229 34 34 SER HB2 H 3.855 0.007 1 230 34 34 SER C C 173.744 . 1 231 34 34 SER CA C 55.898 0.01 1 232 34 34 SER CB C 61.805 0.04 1 233 35 35 ALA H H 8.327 0.007 1 234 35 35 ALA HA H 4.714 0.013 1 235 35 35 ALA HB H 1.440 0.027 1 236 35 35 ALA C C 176.879 0.013 1 237 35 35 ALA CA C 49.662 0.029 1 238 35 35 ALA CB C 17.647 0.036 1 239 35 35 ALA N N 124.290 0.063 1 240 36 36 PHE H H 8.633 0.004 1 241 36 36 PHE HA H 5.175 0.006 1 242 36 36 PHE HB2 H 3.020 0.014 1 243 36 36 PHE HD1 H 7.065 0.01 1 244 36 36 PHE HD2 H 7.065 0.01 1 245 36 36 PHE C C 173.028 0.024 1 246 36 36 PHE CA C 53.486 0.035 1 247 36 36 PHE CB C 38.881 0.042 1 248 36 36 PHE N N 116.240 0.041 1 249 37 37 VAL H H 9.300 0.01 1 250 37 37 VAL HA H 4.833 0.01 1 251 37 37 VAL HB H 1.668 0.004 1 252 37 37 VAL HG1 H 0.569 0.013 1 253 37 37 VAL C C 175.238 0.015 1 254 37 37 VAL CA C 58.176 0.036 1 255 37 37 VAL CB C 32.237 0.025 1 256 37 37 VAL CG1 C 18.713 0.011 1 257 37 37 VAL N N 120.166 0.051 1 258 38 38 ARG H H 8.880 0.005 1 259 38 38 ARG HA H 4.906 0.017 1 260 38 38 ARG HB2 H 1.897 0.011 2 261 38 38 ARG HB3 H 1.694 0.005 2 262 38 38 ARG C C 175.483 0.035 1 263 38 38 ARG CA C 52.659 0.04 1 264 38 38 ARG CB C 29.460 0.027 1 265 38 38 ARG CG C 24.704 . 1 266 38 38 ARG CD C 41.005 . 1 267 38 38 ARG N N 127.934 0.026 1 268 39 39 SER H H 8.985 0.012 1 269 39 39 SER HA H 5.385 0.008 1 270 39 39 SER HB2 H 3.920 0.021 1 271 39 39 SER C C 172.218 0.007 1 272 39 39 SER CA C 54.905 0.044 1 273 39 39 SER CB C 65.701 0.032 1 274 39 39 SER N N 120.529 0.027 1 275 40 40 LYS H H 8.599 0.008 1 276 40 40 LYS HA H 4.746 0.017 1 277 40 40 LYS HB2 H 1.594 0.005 1 278 40 40 LYS C C 174.290 0.017 1 279 40 40 LYS CA C 53.410 0.059 1 280 40 40 LYS CB C 31.862 0.076 1 281 40 40 LYS CG C 22.901 . 1 282 40 40 LYS N N 123.935 0.027 1 283 41 41 LEU H H 9.013 0.007 1 284 41 41 LEU HA H 5.328 0.003 1 285 41 41 LEU HB2 H 1.585 0.004 1 286 41 41 LEU HD1 H 0.791 0.024 1 287 41 41 LEU C C 175.104 0.014 1 288 41 41 LEU CA C 50.233 0.043 1 289 41 41 LEU CB C 43.839 0.019 1 290 41 41 LEU N N 125.301 0.042 1 291 42 42 ARG H H 9.348 0.009 1 292 42 42 ARG HA H 5.347 0.014 1 293 42 42 ARG HB2 H 1.809 0.013 1 294 42 42 ARG C C 175.980 0.016 1 295 42 42 ARG CA C 51.334 0.056 1 296 42 42 ARG CB C 30.850 0.003 1 297 42 42 ARG CG C 24.752 . 1 298 42 42 ARG N N 121.250 0.034 1 299 43 43 ASN H H 9.726 0.007 1 300 43 43 ASN HA H 3.925 0.016 1 301 43 43 ASN HB2 H 2.905 0.006 1 302 43 43 ASN C C 177.300 0.009 1 303 43 43 ASN CA C 51.194 0.09 1 304 43 43 ASN CB C 36.186 0.037 1 305 43 43 ASN N N 129.848 0.036 1 306 44 44 LEU H H 8.364 0.011 1 307 44 44 LEU HA H 3.995 0.021 1 308 44 44 LEU HB2 H 1.475 0.017 1 309 44 44 LEU HD1 H 0.787 0.011 1 310 44 44 LEU C C 177.226 0.017 1 311 44 44 LEU CA C 54.402 0.029 1 312 44 44 LEU CB C 38.873 0.017 1 313 44 44 LEU N N 127.941 0.033 1 314 45 45 ARG H H 8.207 0.006 1 315 45 45 ARG HA H 4.455 0.02 1 316 45 45 ARG HB2 H 1.798 0.01 1 317 45 45 ARG C C 178.002 0.002 1 318 45 45 ARG CA C 55.577 0.065 1 319 45 45 ARG CB C 28.339 0.032 1 320 45 45 ARG N N 114.272 0.061 1 321 46 46 THR H H 7.297 0.015 1 322 46 46 THR HA H 4.438 0.013 1 323 46 46 THR HB H 4.393 0.004 1 324 46 46 THR HG2 H 1.063 0.009 1 325 46 46 THR C C 176.459 0.002 1 326 46 46 THR CA C 58.777 0.04 1 327 46 46 THR CB C 68.295 0.041 1 328 46 46 THR CG2 C 18.486 0.004 1 329 46 46 THR N N 105.590 0.037 1 330 47 47 GLY H H 8.317 0.007 1 331 47 47 GLY HA2 H 4.267 0.01 2 332 47 47 GLY HA3 H 3.636 0.014 2 333 47 47 GLY C C 173.205 0.001 1 334 47 47 GLY CA C 42.878 0.056 1 335 47 47 GLY N N 111.564 0.042 1 336 48 48 ALA H H 7.522 0.004 1 337 48 48 ALA HA H 4.265 0.004 1 338 48 48 ALA HB H 1.400 0.006 1 339 48 48 ALA C C 176.343 0.007 1 340 48 48 ALA CA C 50.210 0.011 1 341 48 48 ALA CB C 17.259 0.059 1 342 48 48 ALA N N 122.776 0.034 1 343 49 49 ILE H H 8.424 0.004 1 344 49 49 ILE HA H 5.410 0.005 1 345 49 49 ILE HB H 1.797 0.017 1 346 49 49 ILE HD1 H 0.836 0.01 1 347 49 49 ILE C C 177.001 0.014 1 348 49 49 ILE CA C 56.496 0.037 1 349 49 49 ILE CB C 36.354 0.037 1 350 49 49 ILE CD1 C 15.039 0.019 1 351 49 49 ILE N N 121.021 0.025 1 352 50 50 GLN H H 9.286 0.011 1 353 50 50 GLN HA H 4.767 0.013 1 354 50 50 GLN HB2 H 1.860 0.002 1 355 50 50 GLN C C 173.863 0.016 1 356 50 50 GLN CA C 51.515 0.049 1 357 50 50 GLN CB C 31.098 0.151 1 358 50 50 GLN N N 126.367 0.082 1 359 51 51 GLU H H 8.603 0.012 1 360 51 51 GLU HA H 5.184 0.014 1 361 51 51 GLU HB2 H 1.892 0.002 2 362 51 51 GLU HB3 H 1.735 0.011 2 363 51 51 GLU C C 175.896 0.001 1 364 51 51 GLU CA C 52.591 0.1 1 365 51 51 GLU CB C 28.502 0.01 1 366 51 51 GLU CG C 34.718 . 1 367 51 51 GLU N N 123.917 0.038 1 368 52 52 LYS H H 8.554 0.006 1 369 52 52 LYS HA H 4.405 0.002 1 370 52 52 LYS HB2 H 1.917 0.003 1 371 52 52 LYS HD2 H 1.571 0.005 1 372 52 52 LYS C C 174.929 . 1 373 52 52 LYS CA C 52.511 0.035 1 374 52 52 LYS CB C 33.940 0.005 1 375 52 52 LYS N N 125.337 0.073 1 376 53 53 THR HA H 5.188 0.012 1 377 53 53 THR HB H 4.536 0.001 1 378 53 53 THR C C 173.115 0.035 1 379 53 53 THR CA C 58.521 0.02 1 380 53 53 THR CB C 67.378 0.039 1 381 53 53 THR CG2 C 19.811 . 1 382 54 54 PHE H H 9.052 0.013 1 383 54 54 PHE HA H 4.789 0.016 1 384 54 54 PHE HB2 H 2.983 0.005 1 385 54 54 PHE HD1 H 7.039 0.007 1 386 54 54 PHE HD2 H 7.039 0.007 1 387 54 54 PHE HE1 H 7.170 0.006 1 388 54 54 PHE HE2 H 7.170 0.006 1 389 54 54 PHE C C 175.331 0.03 1 390 54 54 PHE CA C 53.536 0.046 1 391 54 54 PHE CB C 40.420 0.058 1 392 54 54 PHE N N 123.611 0.041 1 393 55 55 ARG H H 9.313 0.003 1 394 55 55 ARG HA H 4.396 0.011 1 395 55 55 ARG HB2 H 1.849 0.004 1 396 55 55 ARG C C 176.170 0.002 1 397 55 55 ARG CA C 53.477 0.033 1 398 55 55 ARG CB C 28.521 0.045 1 399 55 55 ARG N N 123.253 0.039 1 400 56 56 ALA H H 7.984 0.005 1 401 56 56 ALA HA H 4.701 0.011 1 402 56 56 ALA HB H 1.297 0.003 1 403 56 56 ALA C C 178.706 . 1 404 56 56 ALA CA C 51.479 0.012 1 405 56 56 ALA CB C 15.575 0.011 1 406 56 56 ALA N N 123.236 0.024 1 407 62 62 PRO HA H 4.603 0.014 1 408 62 62 PRO HB2 H 2.217 0.015 2 409 62 62 PRO HB3 H 1.937 0.002 2 410 62 62 PRO C C 175.628 . 1 411 62 62 PRO CA C 59.780 0.016 1 412 62 62 PRO CB C 29.751 0.023 1 413 63 63 ALA H H 7.837 0.008 1 414 63 63 ALA HA H 4.602 0.003 1 415 63 63 ALA HB H 0.849 0.013 1 416 63 63 ALA C C 175.528 . 1 417 63 63 ALA CA C 47.883 0.022 1 418 63 63 ALA CB C 17.603 0.017 1 419 63 63 ALA N N 123.392 0.038 1 420 66 66 GLU H H 8.781 . 1 421 66 66 GLU HA H 4.669 . 1 422 67 67 ASN HA H 5.342 0.018 1 423 67 67 ASN HB2 H 2.558 0.011 1 424 67 67 ASN C C 174.936 . 1 425 67 67 ASN CA C 49.742 0.028 1 426 67 67 ASN CB C 38.334 0.031 1 427 68 68 ARG H H 8.788 0.006 1 428 68 68 ARG HA H 4.622 0.01 1 429 68 68 ARG HB2 H 1.801 0.001 1 430 68 68 ARG HG2 H 1.608 0.001 1 431 68 68 ARG C C 175.060 0.028 1 432 68 68 ARG CA C 51.595 0.027 1 433 68 68 ARG CB C 30.131 0.023 1 434 68 68 ARG CG C 23.945 0.007 1 435 68 68 ARG N N 122.505 0.039 1 436 69 69 ARG H H 8.693 0.005 1 437 69 69 ARG HA H 4.693 0.02 1 438 69 69 ARG HB2 H 1.748 0.005 1 439 69 69 ARG C C 176.212 0.007 1 440 69 69 ARG CA C 53.832 0.08 1 441 69 69 ARG CB C 27.735 0.047 1 442 69 69 ARG N N 125.822 0.069 1 443 70 70 MET H H 8.919 0.007 1 444 70 70 MET HA H 5.177 0.023 1 445 70 70 MET HB2 H 1.798 0.003 2 446 70 70 MET HB3 H 1.613 0.014 2 447 70 70 MET C C 173.707 0.011 1 448 70 70 MET CA C 51.951 0.012 1 449 70 70 MET CB C 35.358 0.113 1 450 70 70 MET CG C 30.844 . 1 451 70 70 MET N N 123.585 0.036 1 452 71 71 GLN H H 9.081 0.004 1 453 71 71 GLN HA H 5.210 0.012 1 454 71 71 GLN HB2 H 1.813 0.002 2 455 71 71 GLN HB3 H 2.000 0.006 2 456 71 71 GLN HG2 H 2.212 0.002 1 457 71 71 GLN C C 176.316 0.003 1 458 71 71 GLN CA C 51.448 0.052 1 459 71 71 GLN CB C 29.361 0.06 1 460 71 71 GLN CG C 31.681 0.007 1 461 71 71 GLN N N 119.630 0.023 1 462 72 72 TYR H H 9.126 0.007 1 463 72 72 TYR HA H 4.113 0.012 1 464 72 72 TYR HB2 H 2.723 0.019 1 465 72 72 TYR C C 174.262 0.001 1 466 72 72 TYR CA C 54.150 0.041 1 467 72 72 TYR CB C 34.975 0.046 1 468 72 72 TYR N N 126.023 0.113 1 469 73 73 LEU H H 8.786 0.007 1 470 73 73 LEU HA H 4.226 0.006 1 471 73 73 LEU HB2 H 1.700 0.004 1 472 73 73 LEU HD1 H 1.125 0.013 2 473 73 73 LEU HD2 H 0.951 0.001 2 474 73 73 LEU C C 175.197 . 1 475 73 73 LEU CA C 53.613 0.054 1 476 73 73 LEU CB C 40.692 0.021 1 477 73 73 LEU CD1 C 23.111 0.029 1 478 73 73 LEU N N 130.983 0.034 1 479 74 74 TYR H H 6.317 0.012 1 480 74 74 TYR HA H 4.187 0.015 1 481 74 74 TYR HB2 H 3.335 0.004 2 482 74 74 TYR HB3 H 2.841 0.013 2 483 74 74 TYR HE1 H 6.601 0.004 1 484 74 74 TYR HE2 H 6.601 0.004 1 485 74 74 TYR C C 172.449 0.006 1 486 74 74 TYR CA C 53.394 0.047 1 487 74 74 TYR CB C 35.971 0.097 1 488 74 74 TYR N N 109.008 0.015 1 489 75 75 ALA H H 8.417 0.004 1 490 75 75 ALA HA H 4.719 0.018 1 491 75 75 ALA HB H 1.269 0.006 1 492 75 75 ALA C C 177.053 0.008 1 493 75 75 ALA CA C 48.153 0.065 1 494 75 75 ALA CB C 18.001 0.081 1 495 75 75 ALA N N 121.387 0.04 1 496 76 76 ASP H H 8.821 0.008 1 497 76 76 ASP HA H 4.715 0.0 1 498 76 76 ASP HB2 H 2.707 0.0 2 499 76 76 ASP HB3 H 2.373 0.006 2 500 76 76 ASP C C 176.288 0.009 1 501 76 76 ASP CA C 50.002 0.072 1 502 76 76 ASP CB C 39.379 0.043 1 503 76 76 ASP N N 123.926 0.053 1 504 77 77 GLY H H 8.604 0.002 1 505 77 77 GLY HA2 H 3.940 0.001 2 506 77 77 GLY HA3 H 3.562 0.003 2 507 77 77 GLY CA C 44.553 0.016 1 508 77 77 GLY N N 114.880 0.024 1 509 78 78 ASP HA H 4.730 0.023 1 510 78 78 ASP HB2 H 2.541 0.001 2 511 78 78 ASP HB3 H 2.917 0.003 2 512 78 78 ASP C C 174.296 . 1 513 78 78 ASP CA C 51.978 0.023 1 514 78 78 ASP CB C 38.912 0.022 1 515 79 79 ASN H H 7.734 0.012 1 516 79 79 ASN HA H 5.189 0.016 1 517 79 79 ASN HB2 H 2.816 0.016 2 518 79 79 ASN HB3 H 2.440 0.006 2 519 79 79 ASN C C 172.987 0.012 1 520 79 79 ASN CA C 49.582 0.017 1 521 79 79 ASN CB C 38.862 0.003 1 522 79 79 ASN N N 117.193 0.025 1 523 80 80 HIS H H 9.035 0.01 1 524 80 80 HIS HA H 4.540 0.02 1 525 80 80 HIS HB2 H 2.886 0.002 2 526 80 80 HIS HB3 H 2.947 0.004 2 527 80 80 HIS C C 173.706 0.013 1 528 80 80 HIS CA C 54.235 0.015 1 529 80 80 HIS CB C 30.318 0.027 1 530 80 80 HIS N N 122.617 0.119 1 531 81 81 VAL H H 8.485 0.009 1 532 81 81 VAL HA H 4.438 0.013 1 533 81 81 VAL HB H 2.042 0.001 1 534 81 81 VAL HG1 H 0.715 0.005 1 535 81 81 VAL C C 174.049 . 1 536 81 81 VAL CA C 60.360 0.03 1 537 81 81 VAL CB C 29.529 0.002 1 538 81 81 VAL CG1 C 19.031 0.002 1 539 81 81 VAL N N 124.631 0.075 1 540 82 82 PHE H H 9.063 0.016 1 541 82 82 PHE HA H 5.345 0.012 1 542 82 82 PHE HB2 H 2.970 0.003 2 543 82 82 PHE HB3 H 2.911 . 2 544 82 82 PHE HD1 H 6.996 0.023 1 545 82 82 PHE HD2 H 6.996 0.023 1 546 82 82 PHE C C 174.480 . 1 547 82 82 PHE CA C 52.982 0.121 1 548 82 82 PHE CB C 40.968 0.117 1 549 82 82 PHE N N 125.203 0.052 1 550 83 83 MET H H 9.324 0.005 1 551 83 83 MET HA H 5.167 0.015 1 552 83 83 MET HB2 H 2.002 0.006 1 553 83 83 MET C C 174.466 0.005 1 554 83 83 MET CA C 51.364 0.031 1 555 83 83 MET CB C 35.239 0.022 1 556 83 83 MET CG C 28.991 . 1 557 83 83 MET N N 119.949 0.029 1 558 84 84 ASP H H 8.681 0.005 1 559 84 84 ASP HA H 4.664 0.02 1 560 84 84 ASP HB2 H 2.518 0.008 1 561 84 84 ASP C C 176.803 0.028 1 562 84 84 ASP CA C 51.658 0.04 1 563 84 84 ASP CB C 40.513 0.055 1 564 84 84 ASP N N 128.410 0.059 1 565 85 85 ASN H H 8.691 0.008 1 566 85 85 ASN HA H 4.324 0.002 1 567 85 85 ASN HB2 H 2.636 0.004 2 568 85 85 ASN HB3 H 2.792 0.02 2 569 85 85 ASN C C 174.781 0.039 1 570 85 85 ASN CA C 52.720 0.053 1 571 85 85 ASN CB C 36.310 0.055 1 572 85 85 ASN N N 125.583 0.068 1 573 86 86 GLU H H 8.718 0.004 1 574 86 86 GLU HA H 4.203 0.021 1 575 86 86 GLU HB2 H 1.965 0.012 1 576 86 86 GLU C C 176.619 0.034 1 577 86 86 GLU CA C 54.836 0.049 1 578 86 86 GLU CB C 28.264 0.072 1 579 86 86 GLU CG C 33.954 . 1 580 86 86 GLU N N 117.185 0.036 1 581 87 87 SER H H 8.074 0.01 1 582 87 87 SER HA H 4.315 0.004 1 583 87 87 SER HB2 H 3.673 0.003 1 584 87 87 SER C C 175.510 0.008 1 585 87 87 SER CA C 55.412 0.056 1 586 87 87 SER CB C 62.913 0.034 1 587 87 87 SER N N 112.509 0.027 1 588 88 88 PHE H H 7.933 0.006 1 589 88 88 PHE HA H 4.424 0.01 1 590 88 88 PHE HB2 H 3.349 0.008 2 591 88 88 PHE HB3 H 3.460 0.002 2 592 88 88 PHE HD1 H 7.179 0.036 1 593 88 88 PHE HD2 H 7.179 0.036 1 594 88 88 PHE C C 174.698 0.008 1 595 88 88 PHE CA C 56.901 0.035 1 596 88 88 PHE CB C 33.122 0.034 1 597 88 88 PHE CD1 C 131.359 . 1 598 88 88 PHE CD2 C 131.359 . 1 599 88 88 PHE N N 117.275 0.022 1 600 89 89 GLU H H 7.661 0.007 1 601 89 89 GLU HA H 4.348 0.008 1 602 89 89 GLU HB2 H 1.808 0.017 2 603 89 89 GLU HB3 H 2.000 0.012 2 604 89 89 GLU HG2 H 2.256 0.018 1 605 89 89 GLU C C 176.127 0.002 1 606 89 89 GLU CA C 54.040 0.035 1 607 89 89 GLU CB C 28.692 0.042 1 608 89 89 GLU CG C 34.142 . 1 609 89 89 GLU N N 119.236 0.044 1 610 90 90 GLN H H 8.724 0.003 1 611 90 90 GLN HA H 5.440 0.016 1 612 90 90 GLN HB2 H 1.952 0.009 1 613 90 90 GLN C C 176.103 0.009 1 614 90 90 GLN CA C 52.042 0.043 1 615 90 90 GLN CB C 28.734 0.035 1 616 90 90 GLN CG C 31.900 . 1 617 90 90 GLN N N 121.852 0.027 1 618 91 91 THR H H 8.930 0.004 1 619 91 91 THR HA H 4.568 0.008 1 620 91 91 THR HB H 3.759 0.008 1 621 91 91 THR HG2 H 0.967 0.004 1 622 91 91 THR C C 171.643 0.018 1 623 91 91 THR CA C 59.140 0.055 1 624 91 91 THR CB C 69.132 0.032 1 625 91 91 THR CG2 C 17.790 0.002 1 626 91 91 THR N N 118.838 0.044 1 627 92 92 GLU H H 8.254 0.003 1 628 92 92 GLU HA H 5.591 0.01 1 629 92 92 GLU HB2 H 1.900 0.017 1 630 92 92 GLU HG2 H 2.150 0.004 1 631 92 92 GLU C C 175.441 0.006 1 632 92 92 GLU CA C 51.910 0.009 1 633 92 92 GLU CB C 29.851 0.052 1 634 92 92 GLU CG C 34.037 0.012 1 635 92 92 GLU N N 124.113 0.021 1 636 93 93 LEU H H 9.249 0.013 1 637 93 93 LEU HA H 4.849 0.005 1 638 93 93 LEU HB2 H 1.554 0.016 2 639 93 93 LEU HB3 H 1.679 0.007 2 640 93 93 LEU HD1 H 0.550 0.007 1 641 93 93 LEU C C 175.902 . 1 642 93 93 LEU CA C 50.749 0.055 1 643 93 93 LEU CB C 44.158 0.051 1 644 93 93 LEU N N 123.668 0.05 1 645 94 94 SER H H 8.491 0.005 1 646 94 94 SER HA H 5.254 0.019 1 647 94 94 SER HB2 H 4.046 0.019 1 648 94 94 SER C C 176.535 . 1 649 94 94 SER CA C 55.319 0.053 1 650 94 94 SER CB C 62.574 0.062 1 651 94 94 SER N N 117.415 0.013 1 652 95 95 SER H H 8.759 0.005 1 653 95 95 SER HA H 4.615 0.009 1 654 95 95 SER HB2 H 4.039 0.008 1 655 95 95 SER C C 175.984 . 1 656 95 95 SER CA C 59.596 0.065 1 657 95 95 SER CB C 60.640 0.081 1 658 95 95 SER N N 117.601 0.057 1 659 96 96 ASP H H 8.354 0.002 1 660 96 96 ASP HA H 4.286 0.012 1 661 96 96 ASP HB2 H 2.466 0.017 1 662 96 96 ASP C C 177.843 0.013 1 663 96 96 ASP CA C 54.411 0.033 1 664 96 96 ASP CB C 37.989 0.069 1 665 96 96 ASP N N 119.684 0.03 1 666 97 97 TYR H H 7.873 0.003 1 667 97 97 TYR HA H 4.273 0.013 1 668 97 97 TYR HB2 H 3.109 0.028 1 669 97 97 TYR C C 176.264 0.0 1 670 97 97 TYR CA C 57.659 0.032 1 671 97 97 TYR CB C 36.678 0.067 1 672 97 97 TYR N N 119.076 0.015 1 673 98 98 LEU H H 7.425 0.007 1 674 98 98 LEU HA H 4.832 0.009 1 675 98 98 LEU HB2 H 1.601 0.025 1 676 98 98 LEU HD1 H 0.667 0.005 1 677 98 98 LEU C C 176.159 . 1 678 98 98 LEU CA C 50.858 0.052 1 679 98 98 LEU CB C 40.827 0.028 1 680 98 98 LEU CD1 C 21.283 0.005 2 681 98 98 LEU CD2 C 24.133 . 2 682 98 98 LEU N N 117.739 0.098 1 683 99 99 LYS H H 7.224 0.007 1 684 99 99 LYS HA H 3.848 0.008 1 685 99 99 LYS HB2 H 1.789 0.018 1 686 99 99 LYS HG2 H 1.419 0.017 1 687 99 99 LYS C C 178.437 0.018 1 688 99 99 LYS CA C 57.698 0.039 1 689 99 99 LYS CB C 30.002 0.025 1 690 99 99 LYS CG C 21.829 0.006 1 691 99 99 LYS N N 119.490 0.024 1 692 100 100 GLU H H 8.551 0.014 1 693 100 100 GLU HA H 3.995 0.007 1 694 100 100 GLU HB2 H 1.911 0.014 1 695 100 100 GLU C C 178.018 0.008 1 696 100 100 GLU CA C 55.679 0.05 1 697 100 100 GLU CB C 26.729 0.003 1 698 100 100 GLU CG C 33.925 . 1 699 100 100 GLU N N 117.527 0.067 1 700 101 101 GLU H H 8.907 0.007 1 701 101 101 GLU HA H 3.963 0.019 1 702 101 101 GLU HB2 H 2.066 0.001 2 703 101 101 GLU HB3 H 2.245 0.008 2 704 101 101 GLU C C 178.754 0.008 1 705 101 101 GLU CA C 57.955 0.046 1 706 101 101 GLU CB C 25.805 0.107 1 707 101 101 GLU N N 119.438 0.045 1 708 102 102 LEU H H 7.926 0.005 1 709 102 102 LEU HA H 3.812 0.01 1 710 102 102 LEU HB2 H 1.521 0.028 1 711 102 102 LEU HD1 H 0.692 0.012 1 712 102 102 LEU C C 177.830 0.01 1 713 102 102 LEU CA C 54.534 0.056 1 714 102 102 LEU CB C 38.440 0.092 1 715 102 102 LEU N N 118.031 0.046 1 716 103 103 ASN H H 7.318 0.008 1 717 103 103 ASN HA H 4.013 0.008 1 718 103 103 ASN HB2 H 2.889 0.007 1 719 103 103 ASN C C 175.145 0.003 1 720 103 103 ASN CA C 52.519 0.045 1 721 103 103 ASN CB C 34.834 0.016 1 722 103 103 ASN N N 115.125 0.019 1 723 104 104 TYR H H 7.325 0.013 1 724 104 104 TYR HA H 4.713 0.018 1 725 104 104 TYR HB2 H 3.162 0.016 1 726 104 104 TYR C C 173.047 0.004 1 727 104 104 TYR CA C 52.966 0.057 1 728 104 104 TYR CB C 38.305 0.06 1 729 104 104 TYR N N 115.895 0.03 1 730 105 105 LEU H H 6.714 0.009 1 731 105 105 LEU HA H 4.259 0.024 1 732 105 105 LEU HB2 H 1.218 0.017 1 733 105 105 LEU HD1 H 0.399 0.012 1 734 105 105 LEU C C 174.991 0.003 1 735 105 105 LEU CA C 53.039 0.062 1 736 105 105 LEU CB C 41.085 0.034 1 737 105 105 LEU CD1 C 21.806 0.0 1 738 105 105 LEU N N 114.970 0.04 1 739 106 106 LYS H H 7.126 0.007 1 740 106 106 LYS HA H 4.641 0.01 1 741 106 106 LYS HB2 H 1.706 0.017 1 742 106 106 LYS C C 175.029 0.022 1 743 106 106 LYS CA C 51.575 0.035 1 744 106 106 LYS CB C 33.341 0.049 1 745 106 106 LYS CG C 21.474 . 1 746 106 106 LYS N N 119.806 0.034 1 747 107 107 GLU H H 9.085 0.011 1 748 107 107 GLU HA H 3.542 0.006 1 749 107 107 GLU HB2 H 1.890 0.014 1 750 107 107 GLU C C 177.261 0.002 1 751 107 107 GLU CA C 56.458 0.033 1 752 107 107 GLU CB C 26.560 0.036 1 753 107 107 GLU CG C 33.794 . 1 754 107 107 GLU N N 123.733 0.066 1 755 108 108 GLY H H 9.107 0.007 1 756 108 108 GLY HA2 H 3.751 0.007 2 757 108 108 GLY HA3 H 4.412 0.009 2 758 108 108 GLY C C 174.671 . 1 759 108 108 GLY CA C 42.361 0.074 1 760 108 108 GLY N N 113.391 0.073 1 761 109 109 MET H H 8.114 0.006 1 762 109 109 MET HA H 4.294 0.009 1 763 109 109 MET HB2 H 2.118 0.01 2 764 109 109 MET HB3 H 2.342 0.044 2 765 109 109 MET HG2 H 2.648 0.006 1 766 109 109 MET C C 174.815 0.002 1 767 109 109 MET CA C 54.445 0.043 1 768 109 109 MET CB C 32.883 0.027 1 769 109 109 MET CG C 29.217 0.0 1 770 109 109 MET N N 121.308 0.05 1 771 110 110 GLU H H 8.529 0.006 1 772 110 110 GLU HA H 5.090 0.013 1 773 110 110 GLU HB2 H 1.999 0.018 1 774 110 110 GLU C C 176.079 0.014 1 775 110 110 GLU CA C 53.349 0.036 1 776 110 110 GLU CB C 28.492 0.061 1 777 110 110 GLU CG C 35.148 . 1 778 110 110 GLU N N 124.629 0.028 1 779 111 111 VAL H H 9.068 0.011 1 780 111 111 VAL HA H 4.761 0.007 1 781 111 111 VAL HB H 2.034 0.003 1 782 111 111 VAL C C 174.284 0.023 1 783 111 111 VAL CA C 56.085 0.026 1 784 111 111 VAL CB C 32.487 0.026 1 785 111 111 VAL CG1 C 19.955 . 1 786 111 111 VAL N N 117.133 0.028 1 787 112 112 GLN H H 8.056 0.007 1 788 112 112 GLN HA H 5.079 0.009 1 789 112 112 GLN HB2 H 2.017 0.001 1 790 112 112 GLN C C 175.294 0.002 1 791 112 112 GLN CA C 51.756 0.025 1 792 112 112 GLN CB C 27.933 0.046 1 793 112 112 GLN N N 117.682 0.033 1 794 113 113 ILE H H 9.075 0.009 1 795 113 113 ILE HA H 4.429 0.02 1 796 113 113 ILE HB H 1.658 0.005 1 797 113 113 ILE C C 175.473 0.024 1 798 113 113 ILE CA C 57.247 0.056 1 799 113 113 ILE CB C 36.161 0.07 1 800 113 113 ILE CG2 C 15.065 . 1 801 113 113 ILE N N 125.254 0.04 1 802 114 114 GLN H H 8.493 0.012 1 803 114 114 GLN HA H 5.224 0.01 1 804 114 114 GLN HB2 H 2.223 0.013 1 805 114 114 GLN C C 176.204 0.01 1 806 114 114 GLN CA C 52.145 0.037 1 807 114 114 GLN CB C 27.816 0.067 1 808 114 114 GLN CG C 31.347 . 1 809 114 114 GLN N N 126.816 0.082 1 810 115 115 THR H H 8.942 0.011 1 811 115 115 THR HA H 5.338 0.009 1 812 115 115 THR HB H 3.701 0.005 1 813 115 115 THR HG2 H 0.906 0.003 1 814 115 115 THR C C 172.688 0.02 1 815 115 115 THR CA C 56.946 0.048 1 816 115 115 THR CB C 69.646 0.025 1 817 115 115 THR CG2 C 18.881 0.0 1 818 115 115 THR N N 115.567 0.061 1 819 116 116 TYR H H 8.854 0.006 1 820 116 116 TYR HA H 4.896 0.007 1 821 116 116 TYR HB2 H 2.896 0.008 1 822 116 116 TYR C C 174.816 0.015 1 823 116 116 TYR CA C 54.408 0.022 1 824 116 116 TYR CB C 38.939 0.039 1 825 116 116 TYR N N 121.228 0.065 1 826 117 117 GLU H H 9.150 0.002 1 827 117 117 GLU HA H 3.550 0.005 1 828 117 117 GLU HB2 H 1.896 0.002 1 829 117 117 GLU C C 176.399 0.019 1 830 117 117 GLU CA C 54.250 0.06 1 831 117 117 GLU CB C 24.542 0.113 1 832 117 117 GLU CG C 33.046 . 1 833 117 117 GLU N N 127.881 0.027 1 834 118 118 GLY H H 8.478 0.015 1 835 118 118 GLY HA2 H 3.508 0.011 2 836 118 118 GLY HA3 H 4.134 0.004 2 837 118 118 GLY C C 173.718 0.005 1 838 118 118 GLY CA C 42.611 0.067 1 839 118 118 GLY N N 103.453 0.081 1 840 119 119 GLU H H 7.954 0.004 1 841 119 119 GLU HA H 4.560 0.006 1 842 119 119 GLU HB2 H 1.974 0.002 2 843 119 119 GLU HB3 H 2.129 0.002 2 844 119 119 GLU C C 176.003 0.005 1 845 119 119 GLU CA C 51.923 0.05 1 846 119 119 GLU CB C 29.215 0.051 1 847 119 119 GLU CG C 33.363 . 1 848 119 119 GLU N N 122.276 0.088 1 849 120 120 THR H H 8.739 0.005 1 850 120 120 THR HA H 4.158 0.008 1 851 120 120 THR C C 174.782 . 1 852 120 120 THR CA C 61.846 0.017 1 853 120 120 THR CB C 65.611 0.039 1 854 120 120 THR CG2 C 19.842 . 1 855 120 120 THR N N 122.782 0.018 1 856 121 121 ILE H H 8.978 0.009 1 857 121 121 ILE HA H 4.576 0.02 1 858 121 121 ILE HB H 1.917 0.019 1 859 121 121 ILE HG2 H 0.944 0.01 1 860 121 121 ILE C C 175.320 0.006 1 861 121 121 ILE CA C 57.659 0.033 1 862 121 121 ILE CB C 37.143 0.073 1 863 121 121 ILE CD1 C 15.612 0.016 1 864 121 121 ILE N N 121.803 0.031 1 865 122 122 GLY H H 7.412 0.003 1 866 122 122 GLY HA2 H 4.095 0.004 2 867 122 122 GLY HA3 H 4.168 0.002 2 868 122 122 GLY C C 170.618 0.025 1 869 122 122 GLY CA C 43.238 0.017 1 870 122 122 GLY N N 107.706 0.031 1 871 123 123 VAL H H 8.327 0.011 1 872 123 123 VAL HA H 4.687 0.013 1 873 123 123 VAL HG1 H 0.552 0.009 1 874 123 123 VAL C C 173.780 0.002 1 875 123 123 VAL CA C 57.666 0.031 1 876 123 123 VAL CB C 32.252 0.058 1 877 123 123 VAL CG1 C 18.357 0.002 1 878 123 123 VAL N N 118.100 0.097 1 879 124 124 GLU H H 9.196 0.012 1 880 124 124 GLU HA H 4.602 0.019 1 881 124 124 GLU HB2 H 1.792 0.011 2 882 124 124 GLU HB3 H 2.012 0.008 2 883 124 124 GLU C C 175.865 0.009 1 884 124 124 GLU CA C 52.325 0.036 1 885 124 124 GLU CB C 29.664 0.03 1 886 124 124 GLU CG C 33.637 . 1 887 124 124 GLU N N 125.813 0.127 1 888 125 125 LEU H H 8.810 0.006 1 889 125 125 LEU HA H 4.503 0.004 1 890 125 125 LEU HB2 H 1.586 0.004 1 891 125 125 LEU C C 174.680 . 1 892 125 125 LEU CA C 50.735 0.031 1 893 125 125 LEU CB C 39.018 0.001 1 894 125 125 LEU N N 128.344 0.018 1 895 126 126 PRO HA H 4.519 0.013 1 896 126 126 PRO HB2 H 2.154 0.018 1 897 126 126 PRO C C 175.920 0.048 1 898 126 126 PRO CA C 60.020 0.049 1 899 126 126 PRO CB C 29.213 0.013 1 900 127 127 LYS H H 8.587 0.01 1 901 127 127 LYS HA H 3.767 0.008 1 902 127 127 LYS HB2 H 1.844 0.009 1 903 127 127 LYS C C 177.120 0.003 1 904 127 127 LYS CA C 56.439 0.03 1 905 127 127 LYS CB C 30.075 0.165 1 906 127 127 LYS CG C 22.727 . 1 907 127 127 LYS CD C 26.351 . 1 908 127 127 LYS N N 120.288 0.027 1 909 128 128 THR H H 7.418 0.01 1 910 128 128 THR HA H 5.429 0.015 1 911 128 128 THR HB H 3.955 0.014 1 912 128 128 THR HG2 H 0.963 0.009 1 913 128 128 THR C C 172.965 0.005 1 914 128 128 THR CA C 55.944 0.015 1 915 128 128 THR CB C 69.373 0.026 1 916 128 128 THR CG2 C 19.635 0.007 1 917 128 128 THR N N 105.201 0.073 1 918 129 129 VAL H H 8.527 0.007 1 919 129 129 VAL HA H 4.628 0.013 1 920 129 129 VAL HB H 1.996 0.015 1 921 129 129 VAL HG1 H 0.902 0.018 2 922 129 129 VAL HG2 H 0.699 0.007 2 923 129 129 VAL C C 173.028 0.007 1 924 129 129 VAL CA C 56.618 0.028 1 925 129 129 VAL CB C 33.538 0.061 1 926 129 129 VAL CG1 C 16.736 0.008 2 927 129 129 VAL CG2 C 19.416 0.002 2 928 129 129 VAL N N 113.590 0.02 1 929 130 130 GLU H H 8.032 0.007 1 930 130 130 GLU HA H 5.476 0.024 1 931 130 130 GLU HB2 H 2.027 0.001 2 932 130 130 GLU HB3 H 1.884 0.001 2 933 130 130 GLU HG2 H 2.231 . 1 934 130 130 GLU C C 176.452 0.009 1 935 130 130 GLU CA C 51.728 0.03 1 936 130 130 GLU CB C 27.816 0.075 1 937 130 130 GLU N N 122.044 0.027 1 938 131 131 LEU H H 8.947 0.006 1 939 131 131 LEU HA H 5.149 0.013 1 940 131 131 LEU HB2 H 1.758 0.01 1 941 131 131 LEU HD1 H 0.797 . 1 942 131 131 LEU C C 175.839 . 1 943 131 131 LEU CA C 50.458 0.036 1 944 131 131 LEU CB C 45.056 0.056 1 945 131 131 LEU N N 122.763 0.025 1 946 132 132 THR H H 9.746 0.012 1 947 132 132 THR HA H 4.791 0.009 1 948 132 132 THR HB H 4.281 0.007 1 949 132 132 THR HG2 H 1.084 0.01 1 950 132 132 THR C C 175.216 0.025 1 951 132 132 THR CA C 60.760 0.047 1 952 132 132 THR CB C 67.142 0.061 1 953 132 132 THR CG2 C 19.159 0.007 1 954 132 132 THR N N 120.507 0.067 1 955 133 133 VAL H H 9.198 0.011 1 956 133 133 VAL HA H 4.031 0.038 1 957 133 133 VAL HB H 1.899 0.002 1 958 133 133 VAL HG1 H 0.966 0.012 2 959 133 133 VAL HG2 H 0.778 0.014 2 960 133 133 VAL C C 176.539 0.016 1 961 133 133 VAL CA C 61.202 0.04 1 962 133 133 VAL CG1 C 20.303 0.001 1 963 133 133 VAL N N 125.922 0.127 1 964 134 134 THR H H 9.420 0.009 1 965 134 134 THR HA H 4.428 0.008 1 966 134 134 THR HB H 4.145 0.006 1 967 134 134 THR HG2 H 0.785 0.011 1 968 134 134 THR C C 175.026 . 1 969 134 134 THR CA C 59.703 0.024 1 970 134 134 THR CB C 65.841 0.014 1 971 134 134 THR CG2 C 20.211 . 1 972 134 134 THR N N 123.284 0.051 1 973 135 135 GLU H H 7.590 0.005 1 974 135 135 GLU HA H 4.930 0.013 1 975 135 135 GLU HB2 H 1.890 0.007 1 976 135 135 GLU C C 174.703 0.009 1 977 135 135 GLU CA C 53.694 0.05 1 978 135 135 GLU CB C 30.735 0.052 1 979 135 135 GLU CG C 33.713 . 1 980 135 135 GLU N N 121.111 0.056 1 981 136 136 THR H H 8.712 0.014 1 982 136 136 THR HA H 4.298 0.02 1 983 136 136 THR HB H 4.314 0.006 1 984 136 136 THR C C 172.370 0.054 1 985 136 136 THR CA C 59.200 0.041 1 986 136 136 THR CB C 66.285 0.07 1 987 136 136 THR CG2 C 17.031 . 1 988 136 136 THR N N 118.157 0.048 1 989 137 137 GLU H H 8.172 0.003 1 990 137 137 GLU HA H 4.612 0.0 1 991 137 137 GLU HB2 H 2.079 0.001 2 992 137 137 GLU HB3 H 1.906 0.009 2 993 137 137 GLU HG2 H 2.314 . 1 994 137 137 GLU C C 174.177 . 1 995 137 137 GLU CA C 52.166 0.017 1 996 137 137 GLU CB C 27.395 0.01 1 997 137 137 GLU N N 125.049 0.069 1 998 138 138 PRO C C 177.811 0.009 1 999 138 138 PRO CA C 61.250 0.039 1 1000 138 138 PRO CB C 29.532 0.039 1 1001 139 139 GLY H H 8.478 0.002 1 1002 139 139 GLY C C 173.700 . 1 1003 139 139 GLY CA C 42.929 0.019 1 1004 139 139 GLY N N 109.584 0.017 1 1005 148 148 ALA HA H 4.399 0.012 1 1006 148 148 ALA HB H 1.398 0.027 1 1007 148 148 ALA C C 177.136 0.008 1 1008 148 148 ALA CA C 49.885 0.036 1 1009 148 148 ALA CB C 17.346 0.07 1 1010 149 149 THR H H 7.879 0.003 1 1011 149 149 THR HA H 4.775 0.024 1 1012 149 149 THR HB H 3.928 0.007 1 1013 149 149 THR HG2 H 0.829 0.004 1 1014 149 149 THR C C 172.901 0.002 1 1015 149 149 THR CA C 56.680 0.105 1 1016 149 149 THR CB C 70.568 0.029 1 1017 149 149 THR CG2 C 18.500 0.007 1 1018 149 149 THR N N 109.542 0.015 1 1019 150 150 LYS H H 9.080 0.008 1 1020 150 150 LYS HA H 4.727 0.018 1 1021 150 150 LYS HB2 H 1.691 0.001 1 1022 150 150 LYS C C 174.160 0.021 1 1023 150 150 LYS CA C 51.117 0.028 1 1024 150 150 LYS CB C 33.327 0.09 1 1025 150 150 LYS N N 117.176 0.044 1 1026 151 151 SER H H 8.533 0.007 1 1027 151 151 SER HA H 4.692 0.004 1 1028 151 151 SER HB2 H 3.604 0.005 1 1029 151 151 SER C C 174.591 0.044 1 1030 151 151 SER CA C 56.194 0.011 1 1031 151 151 SER CB C 61.428 0.022 1 1032 151 151 SER N N 114.858 0.051 1 1033 152 152 ALA H H 9.189 0.008 1 1034 152 152 ALA HA H 4.924 0.008 1 1035 152 152 ALA HB H 1.221 0.006 1 1036 152 152 ALA C C 174.541 . 1 1037 152 152 ALA CA C 48.588 0.035 1 1038 152 152 ALA CB C 20.215 0.004 1 1039 152 152 ALA N N 126.587 0.036 1 1040 153 153 THR H H 9.103 0.011 1 1041 153 153 THR HA H 5.112 0.002 1 1042 153 153 THR HB H 3.774 0.005 1 1043 153 153 THR C C 175.149 . 1 1044 153 153 THR CA C 58.736 0.076 1 1045 153 153 THR CB C 68.027 0.008 1 1046 153 153 THR CG2 C 19.050 . 1 1047 153 153 THR N N 118.109 0.027 1 1048 154 154 VAL H H 8.751 0.018 1 1049 154 154 VAL HA H 4.256 0.008 1 1050 154 154 VAL HB H 1.957 0.004 1 1051 154 154 VAL HG1 H 1.190 0.001 1 1052 154 154 VAL C C 179.784 . 1 1053 154 154 VAL CA C 56.859 0.024 1 1054 154 154 VAL CB C 31.956 0.023 1 1055 154 154 VAL N N 117.061 0.063 1 1056 155 155 GLU H H 8.381 0.007 1 1057 155 155 GLU HA H 4.271 0.004 1 1058 155 155 GLU HB2 H 2.035 0.004 1 1059 155 155 GLU HG2 H 2.445 0.009 2 1060 155 155 GLU HG3 H 2.312 0.001 2 1061 155 155 GLU C C 175.189 . 1 1062 155 155 GLU CA C 56.296 0.079 1 1063 155 155 GLU CB C 27.997 0.005 1 1064 155 155 GLU N N 115.930 0.036 1 1065 156 156 THR H H 6.720 0.008 1 1066 156 156 THR HA H 4.475 0.006 1 1067 156 156 THR HB H 3.813 . 1 1068 156 156 THR HG2 H 1.167 0.017 1 1069 156 156 THR C C 175.850 . 1 1070 156 156 THR CA C 59.124 0.07 1 1071 156 156 THR CB C 67.338 0.054 1 1072 156 156 THR CG2 C 21.098 0.0 1 1073 156 156 THR N N 108.231 0.031 1 1074 157 157 GLY H H 8.893 0.008 1 1075 157 157 GLY HA2 H 4.475 0.005 2 1076 157 157 GLY HA3 H 3.490 0.003 2 1077 157 157 GLY C C 173.087 . 1 1078 157 157 GLY CA C 41.944 0.038 1 1079 157 157 GLY N N 110.982 0.06 1 1080 158 158 TYR H H 7.050 0.004 1 1081 158 158 TYR HA H 4.475 0.026 1 1082 158 158 TYR HB2 H 3.063 0.004 1 1083 158 158 TYR HD1 H 6.842 0.004 1 1084 158 158 TYR HD2 H 6.842 0.004 1 1085 158 158 TYR C C 173.093 0.015 1 1086 158 158 TYR CA C 54.780 0.033 1 1087 158 158 TYR CB C 37.060 0.06 1 1088 158 158 TYR CD1 C 131.957 . 1 1089 158 158 TYR CD2 C 131.957 . 1 1090 158 158 TYR N N 121.835 0.017 1 1091 159 159 THR H H 7.255 0.003 1 1092 159 159 THR HA H 5.218 0.006 1 1093 159 159 THR HB H 3.648 0.009 1 1094 159 159 THR C C 171.560 0.018 1 1095 159 159 THR CA C 58.054 0.079 1 1096 159 159 THR CB C 68.089 0.024 1 1097 159 159 THR CG2 C 18.908 . 1 1098 159 159 THR N N 123.651 0.035 1 1099 160 160 LEU H H 8.884 0.006 1 1100 160 160 LEU HA H 4.577 0.003 1 1101 160 160 LEU HB2 H 1.564 0.0 1 1102 160 160 LEU HD1 H 0.717 0.01 1 1103 160 160 LEU C C 173.578 . 1 1104 160 160 LEU CA C 51.873 0.093 1 1105 160 160 LEU CB C 40.259 0.057 1 1106 160 160 LEU CD1 C 24.431 . 1 1107 160 160 LEU N N 124.909 0.093 1 1108 161 161 ASN H H 8.103 0.007 1 1109 161 161 ASN HA H 5.302 0.021 1 1110 161 161 ASN HB2 H 2.635 0.012 1 1111 161 161 ASN C C 175.779 0.018 1 1112 161 161 ASN CA C 49.698 0.083 1 1113 161 161 ASN CB C 36.474 0.079 1 1114 161 161 ASN N N 117.474 0.034 1 1115 162 162 VAL H H 9.288 0.012 1 1116 162 162 VAL HA H 4.437 0.012 1 1117 162 162 VAL HB H 2.258 0.009 1 1118 162 162 VAL HG1 H 0.546 0.005 1 1119 162 162 VAL C C 172.013 . 1 1120 162 162 VAL CA C 54.810 0.005 1 1121 162 162 VAL CB C 30.920 0.011 1 1122 162 162 VAL CG1 C 21.200 0.0 1 1123 162 162 VAL N N 115.342 0.06 1 1124 163 163 PRO HA H 4.281 0.004 1 1125 163 163 PRO HB2 H 2.012 0.003 1 1126 163 163 PRO C C 176.833 0.001 1 1127 163 163 PRO CA C 59.476 0.027 1 1128 163 163 PRO CB C 30.004 0.036 1 1129 164 164 LEU H H 7.794 0.011 1 1130 164 164 LEU HA H 3.519 0.012 1 1131 164 164 LEU HB2 H 1.656 0.002 1 1132 164 164 LEU HD1 H 0.834 0.007 2 1133 164 164 LEU HD2 H 0.631 0.004 2 1134 164 164 LEU C C 177.730 0.011 1 1135 164 164 LEU CA C 54.908 0.052 1 1136 164 164 LEU CB C 38.566 0.065 1 1137 164 164 LEU CD1 C 24.244 . 2 1138 164 164 LEU CD2 C 24.013 . 2 1139 164 164 LEU N N 114.827 0.033 1 1140 165 165 PHE H H 6.453 0.011 1 1141 165 165 PHE HA H 4.496 0.014 1 1142 165 165 PHE HB2 H 3.466 0.013 1 1143 165 165 PHE HD1 H 7.106 0.009 1 1144 165 165 PHE HD2 H 7.106 0.009 1 1145 165 165 PHE C C 175.440 0.021 1 1146 165 165 PHE CA C 53.557 0.026 1 1147 165 165 PHE CB C 35.199 0.049 1 1148 165 165 PHE N N 109.997 0.034 1 1149 166 166 VAL H H 6.730 0.004 1 1150 166 166 VAL HA H 3.817 0.01 1 1151 166 166 VAL HB H 1.719 0.011 1 1152 166 166 VAL HG1 H 0.680 0.01 1 1153 166 166 VAL C C 173.702 0.019 1 1154 166 166 VAL CA C 61.491 0.035 1 1155 166 166 VAL CB C 29.350 0.031 1 1156 166 166 VAL CG1 C 21.069 0.015 1 1157 166 166 VAL N N 122.854 0.018 1 1158 167 167 ASN H H 9.124 0.006 1 1159 167 167 ASN HA H 5.046 0.014 1 1160 167 167 ASN HB2 H 2.685 0.011 2 1161 167 167 ASN HB3 H 2.610 0.004 2 1162 167 167 ASN C C 175.207 0.006 1 1163 167 167 ASN CA C 48.949 0.013 1 1164 167 167 ASN CB C 40.698 0.045 1 1165 167 167 ASN N N 126.199 0.06 1 1166 168 168 GLU H H 8.787 0.002 1 1167 168 168 GLU HB2 H 1.873 0.005 1 1168 168 168 GLU HG2 H 2.292 0.009 1 1169 168 168 GLU C C 176.906 0.005 1 1170 168 168 GLU CA C 56.163 0.027 1 1171 168 168 GLU CB C 26.372 0.004 1 1172 168 168 GLU CG C 34.537 0.004 1 1173 168 168 GLU N N 119.915 0.014 1 1174 169 169 GLY H H 8.789 0.006 1 1175 169 169 GLY HA2 H 4.395 0.008 2 1176 169 169 GLY HA3 H 3.480 0.009 2 1177 169 169 GLY C C 174.194 . 1 1178 169 169 GLY CA C 42.416 0.062 1 1179 169 169 GLY N N 113.475 0.021 1 1180 170 170 ASP H H 7.847 0.003 1 1181 170 170 ASP HA H 4.629 0.047 1 1182 170 170 ASP HB2 H 2.978 0.015 1 1183 170 170 ASP C C 174.912 0.015 1 1184 170 170 ASP CA C 52.589 0.025 1 1185 170 170 ASP CB C 39.052 0.058 1 1186 170 170 ASP N N 120.895 0.016 1 1187 171 171 VAL H H 8.654 0.003 1 1188 171 171 VAL HA H 4.295 0.055 1 1189 171 171 VAL HB H 1.888 0.001 1 1190 171 171 VAL C C 175.862 0.006 1 1191 171 171 VAL CA C 59.542 0.104 1 1192 171 171 VAL CB C 30.245 0.055 1 1193 171 171 VAL CG1 C 19.183 . 1 1194 171 171 VAL N N 120.743 0.013 1 1195 172 172 LEU H H 9.305 0.009 1 1196 172 172 LEU HA H 4.976 0.007 1 1197 172 172 LEU HB2 H 1.945 0.022 1 1198 172 172 LEU C C 174.816 0.009 1 1199 172 172 LEU CA C 50.235 0.036 1 1200 172 172 LEU CB C 40.951 0.048 1 1201 172 172 LEU N N 126.386 0.072 1 1202 173 173 ILE H H 8.791 0.004 1 1203 173 173 ILE HA H 4.705 0.029 1 1204 173 173 ILE HB H 1.896 0.008 1 1205 173 173 ILE C C 175.182 0.025 1 1206 173 173 ILE CA C 58.272 0.046 1 1207 173 173 ILE CB C 33.588 0.036 1 1208 173 173 ILE N N 121.672 0.018 1 1209 174 174 ILE H H 8.981 0.011 1 1210 174 174 ILE HA H 4.608 0.002 1 1211 174 174 ILE HB H 1.539 0.005 1 1212 174 174 ILE HG2 H 0.714 0.021 1 1213 174 174 ILE C C 174.655 . 1 1214 174 174 ILE CA C 56.128 0.037 1 1215 174 174 ILE CB C 40.066 0.061 1 1216 174 174 ILE CG2 C 18.875 . 1 1217 174 174 ILE CD1 C 17.673 . 1 1218 174 174 ILE N N 128.684 0.062 1 1219 175 175 ASN H H 8.880 0.006 1 1220 175 175 ASN HA H 4.810 0.018 1 1221 175 175 ASN HB2 H 2.719 . 2 1222 175 175 ASN HB3 H 3.158 0.011 2 1223 175 175 ASN C C 176.225 0.019 1 1224 175 175 ASN CA C 49.972 0.026 1 1225 175 175 ASN CB C 37.505 0.029 1 1226 175 175 ASN N N 125.266 0.049 1 1227 176 176 THR H H 8.272 0.015 1 1228 176 176 THR HA H 2.876 0.018 1 1229 176 176 THR HB H 3.760 0.007 1 1230 176 176 THR C C 175.377 . 1 1231 176 176 THR CA C 60.492 0.079 1 1232 176 176 THR CB C 65.596 0.044 1 1233 176 176 THR CG2 C 20.083 . 1 1234 176 176 THR N N 117.610 0.035 1 1235 177 177 GLY H H 8.844 0.011 1 1236 177 177 GLY HA2 H 3.915 0.008 2 1237 177 177 GLY HA3 H 3.740 0.009 2 1238 177 177 GLY C C 175.192 0.031 1 1239 177 177 GLY CA C 44.060 0.03 1 1240 177 177 GLY N N 110.848 0.075 1 1241 178 178 ASP H H 7.079 0.006 1 1242 178 178 ASP HA H 4.742 0.009 1 1243 178 178 ASP HB2 H 3.071 0.004 2 1244 178 178 ASP HB3 H 2.440 0.029 2 1245 178 178 ASP C C 177.069 0.021 1 1246 178 178 ASP CA C 49.779 0.033 1 1247 178 178 ASP CB C 38.781 0.039 1 1248 178 178 ASP N N 115.522 0.021 1 1249 179 179 GLY H H 8.147 0.01 1 1250 179 179 GLY HA2 H 4.360 0.007 2 1251 179 179 GLY HA3 H 3.921 0.004 2 1252 179 179 GLY C C 176.100 . 1 1253 179 179 GLY CA C 43.972 0.042 1 1254 179 179 GLY N N 111.383 0.042 1 1255 180 180 SER H H 8.103 0.004 1 1256 180 180 SER HA H 4.598 0.01 1 1257 180 180 SER HB2 H 3.839 0.012 1 1258 180 180 SER C C 173.714 . 1 1259 180 180 SER CA C 55.773 0.045 1 1260 180 180 SER CB C 62.721 0.031 1 1261 180 180 SER N N 114.812 0.018 1 1262 181 181 TYR H H 8.622 0.005 1 1263 181 181 TYR HA H 4.623 0.001 1 1264 181 181 TYR HB2 H 2.987 0.0 2 1265 181 181 TYR HB3 H 3.094 0.011 2 1266 181 181 TYR C C 175.091 . 1 1267 181 181 TYR CA C 56.759 0.099 1 1268 181 181 TYR CB C 36.597 0.002 1 1269 181 181 TYR N N 121.259 0.019 1 1270 182 182 ILE H H 8.468 0.01 1 1271 182 182 ILE HA H 3.996 0.022 1 1272 182 182 ILE HB H 1.795 0.01 1 1273 182 182 ILE HD1 H 1.003 0.004 1 1274 182 182 ILE C C 175.077 0.082 1 1275 182 182 ILE CA C 59.754 0.017 1 1276 182 182 ILE CB C 36.606 0.042 1 1277 182 182 ILE CD1 C 12.419 . 1 1278 182 182 ILE N N 127.608 0.054 1 1279 183 183 SER H H 7.823 0.002 1 1280 183 183 SER CA C 54.170 . 1 stop_ save_