data_27090 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Elongation factor P ; _BMRB_accession_number 27090 _BMRB_flat_file_name bmr27090.str _Entry_type original _Submission_date 2017-05-02 _Accession_date 2017-05-02 _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 Macosek Jakub . . 2 Hennig Janosch . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 178 "13C chemical shifts" 516 "15N chemical shifts" 178 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-10-03 original BMRB . stop_ _Original_release_date 2017-05-02 save_ ############################# # Citation for this entry # ############################# save_EarP _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Basis for EarP-Mediated Arginine Glycosylation of Translation Elongation Factor EF-P ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28951478 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Krafczyk Ralph . . 2 Macosek Jakub . . 3 Jagtap 'Pravin Kumar Ankush' . . 4 Gast Daniel . . 5 Wunder Swetlana . . 6 Mitra Prithiba . . 7 Jha 'Amit Kumar' K. . 8 Rohr Jurgen . . 9 Hoffmann-Roder Anja . . 10 Jung Kirsten . . 11 Hennig Janosch . . 12 Lassak Jurgen . . stop_ _Journal_abbreviation MBio _Journal_name_full mBio _Journal_volume 8 _Journal_issue 5 _Journal_ISSN 2150-7511 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e01412 _Page_last e01417 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Elongation factor P' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Elongation factor P' $EF-P stop_ _System_molecular_weight 21303.1 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _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 21303.1 _Mol_thiol_state 'all free' loop_ _Biological_function 'translation factor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 189 _Mol_residue_sequence ; MKTGKELKPGTVLRIDNDPW LVQKAEFTKSGRNSAIMKTK LKNLLTGYKTETVYGADDKL DDVILDRKEATLSFINGDEY TFMDTTDYTMYELNAEDIEA VLPYIEEGMEDVCEAVFFEG RLVSVELPTTISRKVVYTEN AARGDTSGKVMKPAKLANGT EISVADFIQIDEWIDIDTRD NSFKGRSKK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 THR 4 GLY 5 LYS 6 GLU 7 LEU 8 LYS 9 PRO 10 GLY 11 THR 12 VAL 13 LEU 14 ARG 15 ILE 16 ASP 17 ASN 18 ASP 19 PRO 20 TRP 21 LEU 22 VAL 23 GLN 24 LYS 25 ALA 26 GLU 27 PHE 28 THR 29 LYS 30 SER 31 GLY 32 ARG 33 ASN 34 SER 35 ALA 36 ILE 37 MET 38 LYS 39 THR 40 LYS 41 LEU 42 LYS 43 ASN 44 LEU 45 LEU 46 THR 47 GLY 48 TYR 49 LYS 50 THR 51 GLU 52 THR 53 VAL 54 TYR 55 GLY 56 ALA 57 ASP 58 ASP 59 LYS 60 LEU 61 ASP 62 ASP 63 VAL 64 ILE 65 LEU 66 ASP 67 ARG 68 LYS 69 GLU 70 ALA 71 THR 72 LEU 73 SER 74 PHE 75 ILE 76 ASN 77 GLY 78 ASP 79 GLU 80 TYR 81 THR 82 PHE 83 MET 84 ASP 85 THR 86 THR 87 ASP 88 TYR 89 THR 90 MET 91 TYR 92 GLU 93 LEU 94 ASN 95 ALA 96 GLU 97 ASP 98 ILE 99 GLU 100 ALA 101 VAL 102 LEU 103 PRO 104 TYR 105 ILE 106 GLU 107 GLU 108 GLY 109 MET 110 GLU 111 ASP 112 VAL 113 CYS 114 GLU 115 ALA 116 VAL 117 PHE 118 PHE 119 GLU 120 GLY 121 ARG 122 LEU 123 VAL 124 SER 125 VAL 126 GLU 127 LEU 128 PRO 129 THR 130 THR 131 ILE 132 SER 133 ARG 134 LYS 135 VAL 136 VAL 137 TYR 138 THR 139 GLU 140 ASN 141 ALA 142 ALA 143 ARG 144 GLY 145 ASP 146 THR 147 SER 148 GLY 149 LYS 150 VAL 151 MET 152 LYS 153 PRO 154 ALA 155 LYS 156 LEU 157 ALA 158 ASN 159 GLY 160 THR 161 GLU 162 ILE 163 SER 164 VAL 165 ALA 166 ASP 167 PHE 168 ILE 169 GLN 170 ILE 171 ASP 172 GLU 173 TRP 174 ILE 175 ASP 176 ILE 177 ASP 178 THR 179 ARG 180 ASP 181 ASN 182 SER 183 PHE 184 LYS 185 GLY 186 ARG 187 SER 188 LYS 189 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UNP A0A059UQW3 'Elongation factor P' . . . . . stop_ 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 'Pseudomonas putida' 303 Bacteria . Pseudomonas putida 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 . pET-SUMO 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $EF-P 0.45 mM 0.2 0.7 '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 100 mM . . 'natural abundance' 'sodium chloride' 50 mM . . 'natural abundance' DTT 5 mM . . 'natural abundance' 'sodium azide' 0.02 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' processing stop_ _Details . save_ save_CcpNMR _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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 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 0.00 na indirect . . . 0.251449530 water H 1 protons ppm 0.00 internal direct . . . 1.000000000 water N 15 protons ppm 0.00 na 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 HNCACB' '3D HNCA' '3D HNCO' 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 'Elongation factor 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 1 1 MET C C 172.933 0.000 1 2 1 1 MET CA C 55.744 0.051 1 3 1 1 MET CB C 32.698 0.068 1 4 2 2 LYS H H 8.779 0.004 1 5 2 2 LYS C C 174.826 0.000 1 6 2 2 LYS CA C 54.280 0.112 1 7 2 2 LYS CB C 37.215 0.079 1 8 2 2 LYS N N 125.248 0.036 1 9 3 3 THR H H 8.240 0.002 1 10 3 3 THR C C 177.652 0.000 1 11 3 3 THR CA C 59.633 0.074 1 12 3 3 THR CB C 72.037 0.154 1 13 3 3 THR N N 111.347 0.044 1 14 4 4 GLY H H 8.076 0.003 1 15 4 4 GLY C C 174.818 0.000 1 16 4 4 GLY CA C 47.383 0.077 1 17 4 4 GLY N N 107.197 0.056 1 18 5 5 LYS H H 8.710 0.004 1 19 5 5 LYS C C 176.045 0.000 1 20 5 5 LYS CA C 57.752 0.100 1 21 5 5 LYS CB C 31.713 0.000 1 22 5 5 LYS N N 114.468 0.036 1 23 6 6 GLU H H 7.874 0.002 1 24 6 6 GLU C C 176.657 0.000 1 25 6 6 GLU CA C 55.796 0.049 1 26 6 6 GLU CB C 31.889 0.106 1 27 6 6 GLU N N 118.018 0.047 1 28 7 7 LEU H H 7.232 0.003 1 29 7 7 LEU C C 174.808 0.000 1 30 7 7 LEU CA C 56.420 0.024 1 31 7 7 LEU CB C 42.747 0.104 1 32 7 7 LEU N N 118.778 0.031 1 33 8 8 LYS H H 6.989 0.004 1 34 8 8 LYS CA C 52.983 0.077 1 35 8 8 LYS CB C 33.882 0.000 1 36 8 8 LYS N N 116.820 0.042 1 37 9 9 PRO C C 176.628 0.000 1 38 9 9 PRO CA C 63.234 0.149 1 39 9 9 PRO CB C 30.862 0.177 1 40 10 10 GLY H H 8.757 0.002 1 41 10 10 GLY C C 174.295 0.000 1 42 10 10 GLY CA C 44.978 0.090 1 43 10 10 GLY N N 112.649 0.035 1 44 11 11 THR H H 7.627 0.002 1 45 11 11 THR C C 171.880 0.000 1 46 11 11 THR CA C 64.274 0.151 1 47 11 11 THR CB C 69.998 0.053 1 48 11 11 THR N N 116.926 0.066 1 49 12 12 VAL H H 9.048 0.008 1 50 12 12 VAL C C 174.175 0.000 1 51 12 12 VAL CA C 60.610 0.188 1 52 12 12 VAL CB C 32.796 0.065 1 53 12 12 VAL N N 127.611 0.065 1 54 13 13 LEU H H 9.280 0.003 1 55 13 13 LEU C C 175.702 0.000 1 56 13 13 LEU CA C 52.210 0.239 1 57 13 13 LEU CB C 45.827 0.210 1 58 13 13 LEU N N 125.822 0.026 1 59 14 14 ARG H H 8.757 0.004 1 60 14 14 ARG C C 176.051 0.000 1 61 14 14 ARG CA C 54.642 0.041 1 62 14 14 ARG CB C 29.920 0.088 1 63 14 14 ARG N N 122.558 0.056 1 64 15 15 ILE H H 9.087 0.004 1 65 15 15 ILE C C 176.212 0.000 1 66 15 15 ILE CA C 61.205 0.017 1 67 15 15 ILE CB C 40.208 0.160 1 68 15 15 ILE N N 128.524 0.057 1 69 16 16 ASP H H 9.491 0.008 1 70 16 16 ASP C C 175.291 0.000 1 71 16 16 ASP CA C 56.017 0.151 1 72 16 16 ASP CB C 39.356 0.121 1 73 16 16 ASP N N 130.194 0.068 1 74 17 17 ASN H H 8.669 0.003 1 75 17 17 ASN C C 173.868 0.000 1 76 17 17 ASN CA C 55.829 0.032 1 77 17 17 ASN CB C 39.166 0.173 1 78 17 17 ASN N N 108.558 0.052 1 79 18 18 ASP H H 7.994 0.002 1 80 18 18 ASP CA C 52.087 0.241 1 81 18 18 ASP CB C 41.749 0.000 1 82 18 18 ASP N N 122.580 0.048 1 83 19 19 PRO C C 175.703 0.000 1 84 19 19 PRO CA C 61.029 0.087 1 85 19 19 PRO CB C 30.975 0.000 1 86 20 20 TRP H H 9.709 0.003 1 87 20 20 TRP C C 174.372 0.000 1 88 20 20 TRP CA C 54.921 0.095 1 89 20 20 TRP CB C 31.054 0.259 1 90 20 20 TRP N N 123.443 0.051 1 91 21 21 LEU H H 9.467 0.004 1 92 21 21 LEU C C 176.227 0.000 1 93 21 21 LEU CA C 53.855 0.094 1 94 21 21 LEU CB C 45.869 0.096 1 95 21 21 LEU N N 124.691 0.073 1 96 22 22 VAL H H 9.308 0.003 1 97 22 22 VAL C C 174.832 0.000 1 98 22 22 VAL CA C 62.346 0.029 1 99 22 22 VAL CB C 30.587 0.000 1 100 22 22 VAL N N 126.569 0.054 1 101 23 23 GLN H H 9.371 0.002 1 102 23 23 GLN C C 176.304 0.000 1 103 23 23 GLN CA C 57.464 0.119 1 104 23 23 GLN CB C 30.917 0.201 1 105 23 23 GLN N N 128.476 0.050 1 106 24 24 LYS H H 7.550 0.004 1 107 24 24 LYS C C 173.731 0.000 1 108 24 24 LYS CA C 55.758 0.051 1 109 24 24 LYS CB C 37.171 0.000 1 110 24 24 LYS N N 115.343 0.030 1 111 25 25 ALA H H 8.949 0.005 1 112 25 25 ALA C C 174.361 0.000 1 113 25 25 ALA CA C 52.077 0.186 1 114 25 25 ALA CB C 20.584 0.090 1 115 25 25 ALA N N 127.621 0.055 1 116 26 26 GLU H H 8.826 0.003 1 117 26 26 GLU C C 174.276 0.000 1 118 26 26 GLU CA C 54.872 0.097 1 119 26 26 GLU CB C 32.745 0.020 1 120 26 26 GLU N N 125.653 0.080 1 121 27 27 PHE H H 9.097 0.006 1 122 27 27 PHE C C 176.180 0.000 1 123 27 27 PHE CA C 57.652 0.184 1 124 27 27 PHE CB C 40.112 0.134 1 125 27 27 PHE N N 131.891 0.101 1 126 28 28 THR H H 8.907 0.002 1 127 28 28 THR C C 172.035 0.000 1 128 28 28 THR CA C 60.691 0.202 1 129 28 28 THR CB C 70.912 0.153 1 130 28 28 THR N N 123.273 0.038 1 131 29 29 LYS H H 8.473 0.005 1 132 29 29 LYS CA C 55.801 0.033 1 133 29 29 LYS CB C 33.869 0.028 1 134 29 29 LYS N N 124.443 0.072 1 135 30 30 SER H H 8.415 0.005 1 136 30 30 SER N N 118.224 0.031 1 137 31 31 GLY H H 8.513 0.000 1 138 31 31 GLY N N 111.784 0.000 1 139 32 32 ARG H H 8.454 0.000 1 140 32 32 ARG N N 120.868 0.000 1 141 33 33 ASN H H 8.417 0.000 1 142 33 33 ASN C C 174.401 0.000 1 143 33 33 ASN N N 116.571 0.000 1 144 34 34 SER H H 7.709 0.005 1 145 34 34 SER C C 173.321 0.000 1 146 34 34 SER CA C 57.788 0.114 1 147 34 34 SER CB C 64.502 0.161 1 148 34 34 SER N N 113.669 0.041 1 149 35 35 ALA H H 8.459 0.006 1 150 35 35 ALA C C 176.213 0.000 1 151 35 35 ALA CA C 52.287 0.149 1 152 35 35 ALA CB C 20.754 0.010 1 153 35 35 ALA N N 126.266 0.074 1 154 36 36 ILE H H 8.256 0.004 1 155 36 36 ILE C C 172.897 0.000 1 156 36 36 ILE CA C 59.149 0.066 1 157 36 36 ILE CB C 42.626 0.000 1 158 36 36 ILE N N 116.117 0.035 1 159 37 37 MET H H 9.297 0.005 1 160 37 37 MET C C 175.336 0.000 1 161 37 37 MET CA C 53.005 0.122 1 162 37 37 MET CB C 34.091 0.178 1 163 37 37 MET N N 121.573 0.037 1 164 38 38 LYS H H 9.051 0.003 1 165 38 38 LYS C C 176.690 0.000 1 166 38 38 LYS CA C 56.869 0.026 1 167 38 38 LYS CB C 32.782 0.128 1 168 38 38 LYS N N 130.200 0.061 1 169 39 39 THR H H 8.818 0.003 1 170 39 39 THR C C 173.138 0.000 1 171 39 39 THR CA C 61.030 0.153 1 172 39 39 THR CB C 71.141 0.097 1 173 39 39 THR N N 120.878 0.056 1 174 40 40 LYS H H 8.306 0.003 1 175 40 40 LYS C C 174.914 0.000 1 176 40 40 LYS CA C 55.842 0.040 1 177 40 40 LYS CB C 34.839 0.134 1 178 40 40 LYS N N 125.050 0.048 1 179 41 41 LEU H H 9.060 0.002 1 180 41 41 LEU C C 176.206 0.000 1 181 41 41 LEU CA C 53.393 0.113 1 182 41 41 LEU CB C 48.146 0.072 1 183 41 41 LEU N N 125.433 0.056 1 184 42 42 LYS H H 9.155 0.005 1 185 42 42 LYS C C 174.797 0.000 1 186 42 42 LYS CA C 54.381 0.114 1 187 42 42 LYS CB C 36.116 0.022 1 188 42 42 LYS N N 120.861 0.041 1 189 43 43 ASN H H 9.183 0.004 1 190 43 43 ASN C C 177.073 0.000 1 191 43 43 ASN CA C 53.975 0.188 1 192 43 43 ASN CB C 38.169 0.133 1 193 43 43 ASN N N 131.019 0.052 1 194 44 44 LEU H H 8.521 0.002 1 195 44 44 LEU C C 177.140 0.000 1 196 44 44 LEU CA C 56.724 0.078 1 197 44 44 LEU CB C 41.734 0.171 1 198 44 44 LEU N N 127.448 0.053 1 199 45 45 LEU H H 8.672 0.003 1 200 45 45 LEU C C 179.062 0.000 1 201 45 45 LEU CA C 56.075 0.069 1 202 45 45 LEU CB C 41.611 0.091 1 203 45 45 LEU N N 116.972 0.039 1 204 46 46 THR H H 7.595 0.003 1 205 46 46 THR C C 176.351 0.000 1 206 46 46 THR CA C 61.155 0.115 1 207 46 46 THR CB C 71.127 0.070 1 208 46 46 THR N N 106.830 0.053 1 209 47 47 GLY H H 8.168 0.004 1 210 47 47 GLY C C 172.978 0.000 1 211 47 47 GLY CA C 45.409 0.086 1 212 47 47 GLY N N 111.683 0.045 1 213 48 48 TYR H H 7.484 0.002 1 214 48 48 TYR C C 173.878 0.000 1 215 48 48 TYR CA C 59.008 0.042 1 216 48 48 TYR CB C 39.319 0.053 1 217 48 48 TYR N N 121.309 0.028 1 218 49 49 LYS H H 7.747 0.002 1 219 49 49 LYS C C 175.743 0.000 1 220 49 49 LYS CA C 54.762 0.023 1 221 49 49 LYS CB C 35.262 0.111 1 222 49 49 LYS N N 124.612 0.062 1 223 50 50 THR H H 8.742 0.003 1 224 50 50 THR C C 171.311 0.000 1 225 50 50 THR CA C 60.017 0.078 1 226 50 50 THR CB C 70.957 0.145 1 227 50 50 THR N N 114.006 0.037 1 228 51 51 GLU H H 7.996 0.001 1 229 51 51 GLU C C 175.312 0.000 1 230 51 51 GLU CA C 54.766 0.022 1 231 51 51 GLU CB C 32.704 0.147 1 232 51 51 GLU N N 123.027 0.042 1 233 52 52 THR H H 8.526 0.004 1 234 52 52 THR C C 172.024 0.000 1 235 52 52 THR CA C 60.261 0.059 1 236 52 52 THR CB C 71.117 0.025 1 237 52 52 THR N N 119.094 0.049 1 238 53 53 VAL H H 8.102 0.009 1 239 53 53 VAL C C 174.319 0.000 1 240 53 53 VAL CA C 60.417 0.203 1 241 53 53 VAL CB C 33.757 0.117 1 242 53 53 VAL N N 123.487 0.078 1 243 54 54 TYR H H 8.666 0.003 1 244 54 54 TYR C C 175.916 0.000 1 245 54 54 TYR CA C 57.010 0.131 1 246 54 54 TYR CB C 41.772 0.130 1 247 54 54 TYR N N 124.427 0.084 1 248 55 55 GLY H H 9.008 0.004 1 249 55 55 GLY C C 175.303 0.000 1 250 55 55 GLY CA C 45.559 0.103 1 251 55 55 GLY N N 109.942 0.044 1 252 56 56 ALA H H 8.169 0.002 1 253 56 56 ALA C C 177.649 0.000 1 254 56 56 ALA CA C 54.745 0.023 1 255 56 56 ALA CB C 19.734 0.139 1 256 56 56 ALA N N 122.963 0.040 1 257 57 57 ASP H H 8.465 0.004 1 258 57 57 ASP C C 176.199 0.000 1 259 57 57 ASP CA C 53.203 0.309 1 260 57 57 ASP CB C 41.427 0.126 1 261 57 57 ASP N N 111.028 0.031 1 262 58 58 ASP H H 7.355 0.002 1 263 58 58 ASP C C 175.240 0.000 1 264 58 58 ASP CA C 55.540 0.118 1 265 58 58 ASP CB C 40.490 0.031 1 266 58 58 ASP N N 122.723 0.034 1 267 59 59 LYS H H 8.355 0.006 1 268 59 59 LYS C C 175.766 0.000 1 269 59 59 LYS CA C 56.672 0.079 1 270 59 59 LYS CB C 33.007 0.156 1 271 59 59 LYS N N 120.242 0.050 1 272 60 60 LEU H H 8.928 0.003 1 273 60 60 LEU C C 175.024 0.000 1 274 60 60 LEU CA C 53.216 0.197 1 275 60 60 LEU CB C 44.548 0.146 1 276 60 60 LEU N N 125.949 0.045 1 277 61 61 ASP H H 8.777 0.003 1 278 61 61 ASP C C 173.384 0.000 1 279 61 61 ASP CA C 53.519 0.107 1 280 61 61 ASP CB C 41.552 0.000 1 281 61 61 ASP N N 122.776 0.038 1 282 62 62 ASP H H 8.892 0.002 1 283 62 62 ASP C C 174.995 0.000 1 284 62 62 ASP CA C 52.330 0.113 1 285 62 62 ASP CB C 41.448 0.165 1 286 62 62 ASP N N 121.403 0.044 1 287 63 63 VAL H H 8.157 0.003 1 288 63 63 VAL C C 174.940 0.000 1 289 63 63 VAL CA C 60.553 0.188 1 290 63 63 VAL CB C 33.865 0.023 1 291 63 63 VAL N N 119.268 0.032 1 292 64 64 ILE H H 8.464 0.006 1 293 64 64 ILE C C 175.892 0.000 1 294 64 64 ILE CA C 60.846 0.084 1 295 64 64 ILE CB C 37.097 0.074 1 296 64 64 ILE N N 126.456 0.060 1 297 65 65 LEU H H 8.282 0.007 1 298 65 65 LEU C C 177.118 0.000 1 299 65 65 LEU CA C 53.811 0.104 1 300 65 65 LEU CB C 42.666 0.024 1 301 65 65 LEU N N 128.661 0.073 1 302 66 66 ASP H H 8.523 0.009 1 303 66 66 ASP C C 175.261 0.000 1 304 66 66 ASP CA C 54.389 0.076 1 305 66 66 ASP CB C 42.654 0.004 1 306 66 66 ASP N N 121.283 0.049 1 307 67 67 ARG H H 8.384 0.006 1 308 67 67 ARG C C 176.164 0.000 1 309 67 67 ARG CA C 55.117 0.133 1 310 67 67 ARG CB C 33.865 0.034 1 311 67 67 ARG N N 119.574 0.058 1 312 68 68 LYS H H 9.103 0.004 1 313 68 68 LYS C C 175.264 0.000 1 314 68 68 LYS CA C 54.849 0.082 1 315 68 68 LYS CB C 36.083 0.009 1 316 68 68 LYS N N 122.189 0.051 1 317 69 69 GLU H H 8.452 0.007 1 318 69 69 GLU C C 176.196 0.000 1 319 69 69 GLU CA C 56.940 0.053 1 320 69 69 GLU CB C 31.678 0.047 1 321 69 69 GLU N N 122.506 0.041 1 322 70 70 ALA H H 8.980 0.006 1 323 70 70 ALA C C 175.350 0.000 1 324 70 70 ALA CA C 51.522 0.057 1 325 70 70 ALA CB C 23.038 0.157 1 326 70 70 ALA N N 123.177 0.061 1 327 71 71 THR H H 8.793 0.003 1 328 71 71 THR C C 174.789 0.000 1 329 71 71 THR CA C 58.868 0.134 1 330 71 71 THR CB C 71.111 0.076 1 331 71 71 THR N N 109.231 0.035 1 332 72 72 LEU H H 9.620 0.006 1 333 72 72 LEU C C 176.235 0.000 1 334 72 72 LEU CA C 56.180 0.087 1 335 72 72 LEU CB C 42.594 0.000 1 336 72 72 LEU N N 124.300 0.058 1 337 73 73 SER H H 9.451 0.004 1 338 73 73 SER C C 174.324 0.000 1 339 73 73 SER CA C 59.984 0.089 1 340 73 73 SER CB C 64.587 0.058 1 341 73 73 SER N N 125.261 0.062 1 342 74 74 PHE H H 7.510 0.002 1 343 74 74 PHE C C 171.990 0.000 1 344 74 74 PHE CA C 56.976 0.075 1 345 74 74 PHE CB C 41.448 0.135 1 346 74 74 PHE N N 114.613 0.046 1 347 75 75 ILE H H 8.350 0.004 1 348 75 75 ILE C C 174.796 0.000 1 349 75 75 ILE CA C 61.132 0.038 1 350 75 75 ILE CB C 40.676 0.054 1 351 75 75 ILE N N 121.069 0.033 1 352 76 76 ASN H H 8.615 0.002 1 353 76 76 ASN C C 174.864 0.000 1 354 76 76 ASN CA C 51.510 0.060 1 355 76 76 ASN CB C 39.610 0.107 1 356 76 76 ASN N N 125.754 0.050 1 357 77 77 GLY H H 8.944 0.006 1 358 77 77 GLY C C 172.984 0.000 1 359 77 77 GLY CA C 47.674 0.230 1 360 77 77 GLY N N 116.329 0.041 1 361 78 78 ASP H H 8.546 0.004 1 362 78 78 ASP C C 173.848 0.000 1 363 78 78 ASP CA C 53.675 0.065 1 364 78 78 ASP CB C 41.147 0.095 1 365 78 78 ASP N N 126.276 0.033 1 366 79 79 GLU H H 7.735 0.003 1 367 79 79 GLU C C 175.207 0.000 1 368 79 79 GLU CA C 55.345 0.002 1 369 79 79 GLU CB C 30.743 0.142 1 370 79 79 GLU N N 118.615 0.053 1 371 80 80 TYR H H 9.523 0.003 1 372 80 80 TYR C C 174.307 0.000 1 373 80 80 TYR CA C 57.663 0.137 1 374 80 80 TYR CB C 40.875 0.086 1 375 80 80 TYR N N 127.343 0.045 1 376 81 81 THR H H 8.592 0.004 1 377 81 81 THR C C 173.425 0.000 1 378 81 81 THR CA C 62.151 0.050 1 379 81 81 THR CB C 69.002 0.057 1 380 81 81 THR N N 119.118 0.062 1 381 82 82 PHE H H 9.682 0.004 1 382 82 82 PHE C C 172.951 0.000 1 383 82 82 PHE CA C 56.063 0.144 1 384 82 82 PHE CB C 42.604 0.051 1 385 82 82 PHE N N 127.927 0.084 1 386 83 83 MET H H 9.767 0.004 1 387 83 83 MET C C 175.382 0.000 1 388 83 83 MET CA C 53.762 0.098 1 389 83 83 MET CB C 37.142 0.044 1 390 83 83 MET N N 122.057 0.051 1 391 84 84 ASP H H 9.077 0.006 1 392 84 84 ASP C C 178.093 0.000 1 393 84 84 ASP CA C 55.046 0.171 1 394 84 84 ASP CB C 44.778 0.122 1 395 84 84 ASP N N 128.418 0.078 1 396 85 85 THR H H 8.277 0.002 1 397 85 85 THR C C 175.043 0.000 1 398 85 85 THR CA C 63.699 0.137 1 399 85 85 THR CB C 68.688 0.161 1 400 85 85 THR N N 116.246 0.032 1 401 86 86 THR H H 9.172 0.002 1 402 86 86 THR C C 174.921 0.000 1 403 86 86 THR CA C 64.467 0.023 1 404 86 86 THR CB C 69.010 0.093 1 405 86 86 THR N N 116.837 0.035 1 406 87 87 ASP H H 8.379 0.005 1 407 87 87 ASP C C 176.697 0.000 1 408 87 87 ASP CA C 52.588 0.069 1 409 87 87 ASP CB C 41.701 0.100 1 410 87 87 ASP N N 119.286 0.090 1 411 88 88 TYR H H 7.303 0.008 1 412 88 88 TYR C C 174.755 0.000 1 413 88 88 TYR CA C 58.898 0.096 1 414 88 88 TYR CB C 34.833 0.109 1 415 88 88 TYR N N 113.447 0.036 1 416 89 89 THR H H 7.938 0.004 1 417 89 89 THR C C 172.603 0.000 1 418 89 89 THR CA C 64.479 0.040 1 419 89 89 THR CB C 68.997 0.089 1 420 89 89 THR N N 116.583 0.033 1 421 90 90 MET H H 8.204 0.004 1 422 90 90 MET C C 175.642 0.000 1 423 90 90 MET CA C 53.981 0.012 1 424 90 90 MET CB C 32.929 0.000 1 425 90 90 MET N N 122.267 0.052 1 426 91 91 TYR H H 9.366 0.004 1 427 91 91 TYR C C 174.068 0.000 1 428 91 91 TYR CA C 55.657 0.058 1 429 91 91 TYR CB C 41.082 0.094 1 430 91 91 TYR N N 123.511 0.075 1 431 92 92 GLU H H 8.699 0.006 1 432 92 92 GLU C C 175.317 0.000 1 433 92 92 GLU CA C 55.637 0.113 1 434 92 92 GLU CB C 31.668 0.023 1 435 92 92 GLU N N 124.341 0.059 1 436 93 93 LEU H H 9.298 0.003 1 437 93 93 LEU C C 174.795 0.000 1 438 93 93 LEU CA C 53.546 0.047 1 439 93 93 LEU CB C 46.446 0.027 1 440 93 93 LEU N N 125.693 0.055 1 441 94 94 ASN H H 8.957 0.550 1 442 94 94 ASN C C 176.094 0.000 1 443 94 94 ASN CA C 55.808 0.057 1 444 94 94 ASN CB C 37.146 0.100 1 445 94 94 ASN N N 120.147 1.832 1 446 95 95 ALA H H 8.917 0.005 1 447 95 95 ALA C C 178.639 0.000 1 448 95 95 ALA CA C 55.236 0.043 1 449 95 95 ALA CB C 19.771 0.167 1 450 95 95 ALA N N 125.729 0.029 1 451 96 96 GLU H H 8.669 0.004 1 452 96 96 GLU C C 178.016 0.000 1 453 96 96 GLU CA C 58.113 0.111 1 454 96 96 GLU CB C 28.816 0.082 1 455 96 96 GLU N N 113.042 0.028 1 456 97 97 ASP H H 8.148 0.003 1 457 97 97 ASP C C 176.620 0.000 1 458 97 97 ASP CA C 55.396 0.183 1 459 97 97 ASP CB C 42.484 0.054 1 460 97 97 ASP N N 118.966 0.064 1 461 98 98 ILE H H 7.497 0.002 1 462 98 98 ILE C C 176.218 0.000 1 463 98 98 ILE CA C 59.861 0.092 1 464 98 98 ILE CB C 38.863 0.050 1 465 98 98 ILE N N 114.085 0.058 1 466 99 99 GLU H H 8.276 0.011 1 467 99 99 GLU C C 178.167 0.000 1 468 99 99 GLU CA C 60.511 0.236 1 469 99 99 GLU CB C 29.575 0.111 1 470 99 99 GLU N N 121.945 0.030 1 471 100 100 ALA H H 8.978 0.007 1 472 100 100 ALA C C 179.563 0.000 1 473 100 100 ALA CA C 54.609 0.058 1 474 100 100 ALA CB C 18.782 0.184 1 475 100 100 ALA N N 117.034 0.034 1 476 101 101 VAL H H 7.604 0.002 1 477 101 101 VAL C C 176.180 0.000 1 478 101 101 VAL CA C 61.366 0.071 1 479 101 101 VAL CB C 32.779 0.050 1 480 101 101 VAL N N 110.412 0.043 1 481 102 102 LEU H H 7.296 0.004 1 482 102 102 LEU CA C 58.889 0.136 1 483 102 102 LEU CB C 40.438 0.000 1 484 102 102 LEU N N 121.127 0.060 1 485 103 103 PRO C C 177.151 0.000 1 486 103 103 PRO CA C 64.875 0.186 1 487 103 103 PRO CB C 30.631 0.063 1 488 104 104 TYR H H 7.624 0.004 1 489 104 104 TYR C C 175.607 0.000 1 490 104 104 TYR CA C 55.342 0.117 1 491 104 104 TYR CB C 39.591 0.097 1 492 104 104 TYR N N 112.551 0.034 1 493 105 105 ILE H H 7.409 0.004 1 494 105 105 ILE C C 174.375 0.000 1 495 105 105 ILE CA C 61.488 0.113 1 496 105 105 ILE CB C 37.420 0.088 1 497 105 105 ILE N N 121.956 0.040 1 498 106 106 GLU H H 7.124 0.003 1 499 106 106 GLU C C 174.653 0.000 1 500 106 106 GLU CA C 54.430 0.159 1 501 106 106 GLU CB C 33.649 0.115 1 502 106 106 GLU N N 124.226 0.048 1 503 107 107 GLU H H 8.969 0.004 1 504 107 107 GLU C C 177.640 0.000 1 505 107 107 GLU CA C 58.218 0.143 1 506 107 107 GLU CB C 29.447 0.054 1 507 107 107 GLU N N 123.254 0.053 1 508 108 108 GLY H H 9.200 0.005 1 509 108 108 GLY C C 174.817 0.000 1 510 108 108 GLY CA C 45.100 0.146 1 511 108 108 GLY N N 113.891 0.039 1 512 109 109 MET H H 7.742 0.002 1 513 109 109 MET C C 177.155 0.000 1 514 109 109 MET CA C 57.006 0.079 1 515 109 109 MET CB C 33.792 0.119 1 516 109 109 MET N N 118.224 0.031 1 517 110 110 GLU H H 9.304 0.004 1 518 110 110 GLU C C 176.335 0.000 1 519 110 110 GLU CA C 56.307 0.005 1 520 110 110 GLU CB C 30.678 0.138 1 521 110 110 GLU N N 123.974 0.040 1 522 111 111 ASP H H 7.350 0.002 1 523 111 111 ASP C C 174.370 0.000 1 524 111 111 ASP CA C 55.774 0.050 1 525 111 111 ASP CB C 42.689 0.048 1 526 111 111 ASP N N 117.027 0.038 1 527 112 112 VAL H H 8.966 0.009 1 528 112 112 VAL C C 176.198 0.000 1 529 112 112 VAL CA C 63.663 0.160 1 530 112 112 VAL CB C 30.862 0.095 1 531 112 112 VAL N N 125.285 0.050 1 532 113 113 CYS H H 8.669 0.006 1 533 113 113 CYS C C 173.471 0.000 1 534 113 113 CYS CA C 58.294 0.149 1 535 113 113 CYS CB C 29.554 0.010 1 536 113 113 CYS N N 125.237 0.065 1 537 114 114 GLU H H 8.615 0.002 1 538 114 114 GLU C C 175.306 0.000 1 539 114 114 GLU CA C 55.592 0.107 1 540 114 114 GLU CB C 30.820 0.110 1 541 114 114 GLU N N 119.483 0.053 1 542 115 115 ALA H H 8.989 0.004 1 543 115 115 ALA C C 175.362 0.000 1 544 115 115 ALA CA C 50.807 0.118 1 545 115 115 ALA CB C 19.759 0.128 1 546 115 115 ALA N N 128.798 0.069 1 547 116 116 VAL H H 7.861 0.003 1 548 116 116 VAL CA C 60.016 0.074 1 549 116 116 VAL CB C 33.511 0.014 1 550 116 116 VAL N N 118.027 0.057 1 551 117 117 PHE H H 8.951 0.003 1 552 117 117 PHE C C 174.346 0.000 1 553 117 117 PHE CA C 56.542 0.006 1 554 117 117 PHE CB C 44.582 0.189 1 555 117 117 PHE N N 122.871 0.059 1 556 118 118 PHE H H 8.986 0.003 1 557 118 118 PHE C C 174.293 0.000 1 558 118 118 PHE CA C 56.486 0.092 1 559 118 118 PHE CB C 42.630 0.207 1 560 118 118 PHE N N 120.464 0.051 1 561 119 119 GLU H H 9.259 0.009 1 562 119 119 GLU C C 176.543 0.000 1 563 119 119 GLU CA C 56.814 0.086 1 564 119 119 GLU CB C 27.203 0.078 1 565 119 119 GLU N N 127.583 0.058 1 566 120 120 GLY H H 8.610 0.005 1 567 120 120 GLY C C 173.821 0.000 1 568 120 120 GLY CA C 45.059 0.102 1 569 120 120 GLY N N 103.383 0.041 1 570 121 121 ARG H H 8.186 0.002 1 571 121 121 ARG C C 174.965 0.000 1 572 121 121 ARG CA C 54.488 0.082 1 573 121 121 ARG CB C 31.637 0.041 1 574 121 121 ARG N N 121.702 0.052 1 575 122 122 LEU H H 8.229 0.014 1 576 122 122 LEU C C 176.244 0.000 1 577 122 122 LEU CA C 55.824 0.092 1 578 122 122 LEU CB C 41.510 0.054 1 579 122 122 LEU N N 127.409 0.062 1 580 123 123 VAL H H 8.888 0.005 1 581 123 123 VAL C C 174.332 0.000 1 582 123 123 VAL CA C 62.492 0.104 1 583 123 123 VAL CB C 33.900 0.057 1 584 123 123 VAL N N 122.397 0.119 1 585 124 124 SER H H 7.008 0.005 1 586 124 124 SER C C 172.594 0.000 1 587 124 124 SER CA C 57.328 0.133 1 588 124 124 SER CB C 63.372 0.177 1 589 124 124 SER N N 108.733 0.043 1 590 125 125 VAL H H 8.163 0.013 1 591 125 125 VAL C C 172.844 0.000 1 592 125 125 VAL CA C 59.513 0.166 1 593 125 125 VAL CB C 35.918 0.129 1 594 125 125 VAL N N 116.444 0.043 1 595 126 126 GLU H H 8.641 0.006 1 596 126 126 GLU C C 176.181 0.000 1 597 126 126 GLU CA C 54.621 0.031 1 598 126 126 GLU CB C 33.060 0.125 1 599 126 126 GLU N N 120.826 0.059 1 600 127 127 LEU H H 8.485 0.003 1 601 127 127 LEU CA C 53.531 0.158 1 602 127 127 LEU CB C 42.598 0.000 1 603 127 127 LEU N N 123.556 0.074 1 604 128 128 PRO C C 176.119 0.000 1 605 128 128 PRO CA C 62.655 0.134 1 606 128 128 PRO CB C 31.725 0.057 1 607 129 129 THR H H 8.383 0.005 1 608 129 129 THR C C 174.323 0.000 1 609 129 129 THR CA C 66.007 0.238 1 610 129 129 THR CB C 68.898 0.008 1 611 129 129 THR N N 114.506 0.042 1 612 130 130 THR H H 7.402 0.002 1 613 130 130 THR C C 173.709 0.000 1 614 130 130 THR CA C 61.197 0.046 1 615 130 130 THR CB C 70.548 0.152 1 616 130 130 THR N N 113.432 0.049 1 617 131 131 ILE H H 8.383 0.002 1 618 131 131 ILE CA C 59.088 0.040 1 619 131 131 ILE CB C 41.561 0.000 1 620 131 131 ILE N N 118.214 0.033 1 621 134 134 LYS H H 8.027 0.003 1 622 134 134 LYS C C 176.135 0.000 1 623 134 134 LYS CA C 55.553 0.113 1 624 134 134 LYS CB C 33.199 0.000 1 625 134 134 LYS N N 123.182 0.055 1 626 135 135 VAL H H 8.427 0.003 1 627 135 135 VAL C C 176.218 0.000 1 628 135 135 VAL CA C 63.186 0.106 1 629 135 135 VAL CB C 31.900 0.049 1 630 135 135 VAL N N 125.566 0.064 1 631 136 136 VAL H H 8.450 0.004 1 632 136 136 VAL C C 175.543 0.000 1 633 136 136 VAL CA C 61.320 0.012 1 634 136 136 VAL CB C 32.017 0.258 1 635 136 136 VAL N N 121.405 0.066 1 636 137 137 TYR H H 7.546 0.002 1 637 137 137 TYR C C 173.183 0.000 1 638 137 137 TYR CA C 59.755 0.096 1 639 137 137 TYR CB C 41.620 0.115 1 640 137 137 TYR N N 119.692 0.055 1 641 138 138 THR H H 6.494 0.002 1 642 138 138 THR C C 170.628 0.000 1 643 138 138 THR CA C 60.750 0.128 1 644 138 138 THR CB C 68.738 0.176 1 645 138 138 THR N N 119.338 0.029 1 646 139 139 GLU H H 8.055 0.003 1 647 139 139 GLU C C 175.251 0.000 1 648 139 139 GLU CA C 55.419 0.106 1 649 139 139 GLU CB C 30.733 0.000 1 650 139 139 GLU N N 122.876 0.048 1 651 140 140 ASN H H 8.564 0.000 1 652 140 140 ASN C C 175.251 0.000 1 653 140 140 ASN N N 121.546 0.000 1 654 141 141 ALA H H 8.437 0.008 1 655 141 141 ALA C C 176.846 0.000 1 656 141 141 ALA CA C 52.053 0.149 1 657 141 141 ALA CB C 19.646 0.083 1 658 141 141 ALA N N 124.555 0.046 1 659 142 142 ALA H H 8.492 0.006 1 660 142 142 ALA C C 177.610 0.000 1 661 142 142 ALA CA C 52.248 0.147 1 662 142 142 ALA CB C 19.145 0.017 1 663 142 142 ALA N N 124.425 0.061 1 664 143 143 ARG H H 8.379 0.005 1 665 143 143 ARG C C 176.688 0.000 1 666 143 143 ARG CA C 55.973 0.110 1 667 143 143 ARG CB C 30.694 0.143 1 668 143 143 ARG N N 120.090 0.043 1 669 144 144 GLY H H 8.466 0.005 1 670 144 144 GLY C C 173.835 0.000 1 671 144 144 GLY CA C 45.114 0.214 1 672 144 144 GLY N N 109.953 0.016 1 673 145 145 ASP H H 8.321 0.002 1 674 145 145 ASP C C 176.867 0.000 1 675 145 145 ASP CA C 54.285 0.183 1 676 145 145 ASP CB C 41.492 0.059 1 677 145 145 ASP N N 120.832 0.028 1 678 146 146 THR H H 8.224 0.009 1 679 146 146 THR C C 174.971 0.000 1 680 146 146 THR CA C 61.874 0.000 1 681 146 146 THR CB C 69.873 0.238 1 682 146 146 THR N N 113.914 0.034 1 683 147 147 SER H H 8.570 0.004 1 684 147 147 SER C C 175.262 0.000 1 685 147 147 SER CA C 59.100 0.073 1 686 147 147 SER CB C 64.656 0.000 1 687 147 147 SER N N 118.023 0.015 1 688 148 148 GLY H H 8.709 0.003 1 689 148 148 GLY C C 173.865 0.000 1 690 148 148 GLY CA C 45.549 0.132 1 691 148 148 GLY N N 111.321 0.044 1 692 149 149 LYS H H 8.189 0.003 1 693 149 149 LYS C C 176.214 0.000 1 694 149 149 LYS CA C 56.247 0.035 1 695 149 149 LYS CB C 32.807 0.048 1 696 149 149 LYS N N 120.462 0.034 1 697 150 150 VAL H H 8.094 0.003 1 698 150 150 VAL CA C 62.392 0.062 1 699 150 150 VAL CB C 32.762 0.022 1 700 150 150 VAL N N 121.220 0.041 1 701 151 151 MET H H 8.033 0.004 1 702 151 151 MET C C 175.245 0.000 1 703 151 151 MET CA C 52.833 0.068 1 704 151 151 MET CB C 33.577 0.131 1 705 151 151 MET N N 123.145 0.056 1 706 152 152 LYS H H 9.433 0.004 1 707 152 152 LYS CA C 53.209 0.188 1 708 152 152 LYS CB C 34.093 0.000 1 709 152 152 LYS N N 119.810 0.027 1 710 153 153 PRO C C 176.774 0.000 1 711 153 153 PRO CA C 63.206 0.127 1 712 153 153 PRO CB C 32.695 0.102 1 713 154 154 ALA H H 8.818 0.002 1 714 154 154 ALA C C 175.290 0.000 1 715 154 154 ALA CA C 50.522 0.073 1 716 154 154 ALA CB C 23.945 0.092 1 717 154 154 ALA N N 124.967 0.046 1 718 155 155 LYS H H 8.856 0.003 1 719 155 155 LYS C C 176.386 0.000 1 720 155 155 LYS CA C 54.598 0.058 1 721 155 155 LYS CB C 36.560 0.017 1 722 155 155 LYS N N 117.033 0.034 1 723 156 156 LEU H H 8.654 0.005 1 724 156 156 LEU C C 179.080 0.000 1 725 156 156 LEU CA C 52.989 0.024 1 726 156 156 LEU CB C 41.565 0.013 1 727 156 156 LEU N N 120.845 0.039 1 728 157 157 ALA H H 9.449 0.003 1 729 157 157 ALA C C 178.084 0.000 1 730 157 157 ALA CA C 55.489 0.117 1 731 157 157 ALA CB C 18.500 0.094 1 732 157 157 ALA N N 124.515 0.052 1 733 158 158 ASN H H 7.900 0.003 1 734 158 158 ASN C C 176.610 0.000 1 735 158 158 ASN CA C 52.319 0.083 1 736 158 158 ASN CB C 37.262 0.098 1 737 158 158 ASN N N 112.659 0.033 1 738 159 159 GLY H H 8.127 0.003 1 739 159 159 GLY C C 174.324 0.000 1 740 159 159 GLY CA C 44.809 0.019 1 741 159 159 GLY N N 108.237 0.036 1 742 160 160 THR H H 7.715 0.002 1 743 160 160 THR C C 172.397 0.000 1 744 160 160 THR CA C 64.241 0.126 1 745 160 160 THR CB C 69.739 0.135 1 746 160 160 THR N N 119.986 0.034 1 747 161 161 GLU H H 8.603 0.004 1 748 161 161 GLU C C 174.899 0.000 1 749 161 161 GLU CA C 54.918 0.124 1 750 161 161 GLU CB C 31.789 0.093 1 751 161 161 GLU N N 127.906 0.062 1 752 162 162 ILE H H 8.937 0.004 1 753 162 162 ILE CA C 59.108 0.042 1 754 162 162 ILE CB C 41.638 0.076 1 755 162 162 ILE N N 124.569 0.066 1 756 163 163 SER H H 8.246 0.003 1 757 163 163 SER CA C 57.606 0.198 1 758 163 163 SER CB C 63.445 0.000 1 759 163 163 SER N N 120.909 0.048 1 760 165 165 ALA H H 3.972 0.001 1 761 165 165 ALA C C 177.907 0.000 1 762 165 165 ALA CA C 52.405 0.039 1 763 165 165 ALA N N 118.932 0.025 1 764 166 166 ASP H H 7.956 0.001 1 765 166 166 ASP C C 176.200 0.000 1 766 166 166 ASP CA C 56.828 0.015 1 767 166 166 ASP CB C 40.532 0.044 1 768 166 166 ASP N N 117.611 0.043 1 769 167 167 PHE H H 6.734 0.003 1 770 167 167 PHE C C 176.208 0.000 1 771 167 167 PHE CA C 56.089 0.078 1 772 167 167 PHE CB C 38.132 0.157 1 773 167 167 PHE N N 111.768 0.039 1 774 168 168 ILE H H 7.196 0.003 1 775 168 168 ILE C C 174.772 0.000 1 776 168 168 ILE CA C 58.452 0.113 1 777 168 168 ILE CB C 34.651 0.105 1 778 168 168 ILE N N 125.202 0.056 1 779 169 169 GLN H H 8.868 0.003 1 780 169 169 GLN C C 174.759 0.000 1 781 169 169 GLN CA C 52.600 0.061 1 782 169 169 GLN CB C 31.706 0.031 1 783 169 169 GLN N N 126.242 0.033 1 784 170 170 ILE H H 7.950 0.006 1 785 170 170 ILE C C 175.632 0.000 1 786 170 170 ILE CA C 64.652 0.103 1 787 170 170 ILE CB C 38.313 0.061 1 788 170 170 ILE N N 116.606 0.047 1 789 171 171 ASP H H 8.564 0.008 1 790 171 171 ASP C C 174.874 0.000 1 791 171 171 ASP CA C 56.935 0.058 1 792 171 171 ASP CB C 38.325 0.100 1 793 171 171 ASP N N 119.136 0.052 1 794 172 172 GLU H H 7.456 0.002 1 795 172 172 GLU C C 175.250 0.000 1 796 172 172 GLU CA C 57.026 0.120 1 797 172 172 GLU CB C 31.482 0.170 1 798 172 172 GLU N N 117.364 0.038 1 799 173 173 TRP H H 8.564 0.005 1 800 173 173 TRP C C 176.725 0.000 1 801 173 173 TRP CA C 56.867 0.028 1 802 173 173 TRP CB C 28.505 0.111 1 803 173 173 TRP N N 121.599 0.054 1 804 174 174 ILE H H 9.398 0.003 1 805 174 174 ILE CA C 59.216 0.107 1 806 174 174 ILE CB C 41.501 0.000 1 807 174 174 ILE N N 117.253 0.036 1 808 175 175 ASP C C 175.779 0.000 1 809 176 176 ILE H H 9.207 0.004 1 810 176 176 ILE C C 173.584 0.000 1 811 176 176 ILE CA C 59.410 0.203 1 812 176 176 ILE CB C 41.667 0.157 1 813 176 176 ILE N N 124.027 0.036 1 814 177 177 ASP H H 8.677 0.003 1 815 177 177 ASP C C 177.665 0.000 1 816 177 177 ASP CA C 52.162 0.174 1 817 177 177 ASP CB C 42.137 0.196 1 818 177 177 ASP N N 120.979 0.051 1 819 178 178 THR H H 8.888 0.003 1 820 178 178 THR C C 175.793 0.000 1 821 178 178 THR CA C 62.926 0.109 1 822 178 178 THR CB C 68.791 0.169 1 823 178 178 THR N N 117.422 0.054 1 824 179 179 ARG H H 9.121 0.003 1 825 179 179 ARG C C 178.101 0.000 1 826 179 179 ARG CA C 57.839 0.055 1 827 179 179 ARG CB C 29.422 0.092 1 828 179 179 ARG N N 122.187 0.044 1 829 180 180 ASP H H 7.520 0.003 1 830 180 180 ASP C C 176.215 0.000 1 831 180 180 ASP CA C 52.644 0.107 1 832 180 180 ASP CB C 40.605 0.139 1 833 180 180 ASP N N 115.271 0.025 1 834 181 181 ASN H H 8.162 0.002 1 835 181 181 ASN C C 173.417 0.000 1 836 181 181 ASN CA C 54.689 0.027 1 837 181 181 ASN CB C 38.163 0.203 1 838 181 181 ASN N N 117.069 0.046 1 839 182 182 SER H H 8.022 0.004 1 840 182 182 SER C C 173.454 0.000 1 841 182 182 SER CA C 57.022 0.068 1 842 182 182 SER CB C 65.739 0.089 1 843 182 182 SER N N 110.525 0.045 1 844 183 183 PHE H H 8.947 0.004 1 845 183 183 PHE C C 175.277 0.000 1 846 183 183 PHE CA C 57.833 0.036 1 847 183 183 PHE CB C 40.651 0.089 1 848 183 183 PHE N N 122.253 0.043 1 849 184 184 LYS H H 8.740 0.002 1 850 184 184 LYS CA C 54.833 0.052 1 851 184 184 LYS CB C 32.868 0.000 1 852 184 184 LYS N N 126.841 0.053 1 853 185 185 GLY C C 172.420 0.000 1 854 186 186 ARG H H 8.958 0.006 1 855 186 186 ARG C C 177.129 0.000 1 856 186 186 ARG CA C 57.688 0.127 1 857 186 186 ARG CB C 31.528 0.102 1 858 186 186 ARG N N 119.852 0.043 1 859 187 187 SER H H 8.847 0.002 1 860 187 187 SER C C 173.960 0.000 1 861 187 187 SER CA C 59.457 0.196 1 862 187 187 SER CB C 63.458 0.028 1 863 187 187 SER N N 122.535 0.034 1 864 188 188 LYS H H 8.960 0.006 1 865 188 188 LYS C C 175.212 0.000 1 866 188 188 LYS CA C 56.342 0.053 1 867 188 188 LYS CB C 31.887 0.143 1 868 188 188 LYS N N 126.595 0.070 1 869 189 189 LYS H H 7.824 0.007 1 870 189 189 LYS CA C 57.113 0.106 1 871 189 189 LYS CB C 33.844 0.000 1 872 189 189 LYS N N 129.346 0.072 1 stop_ save_