data_50371 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assigenments of the Lon protease from Mycobacterium tuberculosis complex ; _BMRB_accession_number 50371 _BMRB_flat_file_name bmr50371.str _Entry_type original _Submission_date 2020-07-01 _Accession_date 2020-07-01 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; The backbone assigenments of Lon protease (1-211) protein is helpful for the analysis and research of Lon protease (1-211) protein NMR kinetic data. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang Qiaodong . . 2 Bi Fangkai . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 181 "13C chemical shifts" 528 "15N chemical shifts" 181 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-08-04 original BMRB . stop_ _Original_release_date 2020-07-01 save_ ############################# # Citation for this entry # ############################# save_citations_2 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone assignments of the Lon protease from Mycobacterium tuberculosis complex ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang Qiaodong . . 2 Bi Fangkai . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ####################################### # Cited references within the entry # ####################################### save_citations_1 _Saveframe_category citation _Citation_full . _Citation_title ; Crystal structure and main chain dynamics of the N-terminal fragment of Lon protease of Mycobacterium tuberculosis complex ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang Qiaodong . . 2 Bi Fangkai . . stop_ _Journal_abbreviation 'Not known' _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'the Lon protease fragment (1-211)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'lon 211' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 211 _Mol_residue_sequence ; MDLELSMSETLTLPVLPLED GVVLPGMVVPLDLSENGEVR AAIEAARAAAQSRGPGIRSV SKPRVLLVPRLNGRYADVGT LGVIEQEGRLPGGEPGAVVR GVSRVRIGTGTTGPGAALWV EGTVLEAPPASGRAQELAKE YKGLVSAILQKRGAWQVVDV VQQIDDPSTLADNSGYAPYL TDEQKIEVLETVDVVERLEL VIGWTRDHLAE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 LEU 4 GLU 5 LEU 6 SER 7 MET 8 SER 9 GLU 10 THR 11 LEU 12 THR 13 LEU 14 PRO 15 VAL 16 LEU 17 PRO 18 LEU 19 GLU 20 ASP 21 GLY 22 VAL 23 VAL 24 LEU 25 PRO 26 GLY 27 MET 28 VAL 29 VAL 30 PRO 31 LEU 32 ASP 33 LEU 34 SER 35 GLU 36 ASN 37 GLY 38 GLU 39 VAL 40 ARG 41 ALA 42 ALA 43 ILE 44 GLU 45 ALA 46 ALA 47 ARG 48 ALA 49 ALA 50 ALA 51 GLN 52 SER 53 ARG 54 GLY 55 PRO 56 GLY 57 ILE 58 ARG 59 SER 60 VAL 61 SER 62 LYS 63 PRO 64 ARG 65 VAL 66 LEU 67 LEU 68 VAL 69 PRO 70 ARG 71 LEU 72 ASN 73 GLY 74 ARG 75 TYR 76 ALA 77 ASP 78 VAL 79 GLY 80 THR 81 LEU 82 GLY 83 VAL 84 ILE 85 GLU 86 GLN 87 GLU 88 GLY 89 ARG 90 LEU 91 PRO 92 GLY 93 GLY 94 GLU 95 PRO 96 GLY 97 ALA 98 VAL 99 VAL 100 ARG 101 GLY 102 VAL 103 SER 104 ARG 105 VAL 106 ARG 107 ILE 108 GLY 109 THR 110 GLY 111 THR 112 THR 113 GLY 114 PRO 115 GLY 116 ALA 117 ALA 118 LEU 119 TRP 120 VAL 121 GLU 122 GLY 123 THR 124 VAL 125 LEU 126 GLU 127 ALA 128 PRO 129 PRO 130 ALA 131 SER 132 GLY 133 ARG 134 ALA 135 GLN 136 GLU 137 LEU 138 ALA 139 LYS 140 GLU 141 TYR 142 LYS 143 GLY 144 LEU 145 VAL 146 SER 147 ALA 148 ILE 149 LEU 150 GLN 151 LYS 152 ARG 153 GLY 154 ALA 155 TRP 156 GLN 157 VAL 158 VAL 159 ASP 160 VAL 161 VAL 162 GLN 163 GLN 164 ILE 165 ASP 166 ASP 167 PRO 168 SER 169 THR 170 LEU 171 ALA 172 ASP 173 ASN 174 SER 175 GLY 176 TYR 177 ALA 178 PRO 179 TYR 180 LEU 181 THR 182 ASP 183 GLU 184 GLN 185 LYS 186 ILE 187 GLU 188 VAL 189 LEU 190 GLU 191 THR 192 VAL 193 ASP 194 VAL 195 VAL 196 GLU 197 ARG 198 LEU 199 GLU 200 LEU 201 VAL 202 ILE 203 GLY 204 TRP 205 THR 206 ARG 207 ASP 208 HIS 209 LEU 210 ALA 211 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 'Mycobacterium tuberculosis' 1773 Bacteria . Mycobacterium tuberculosis stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . . . . plasmid pSUMO stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'The protein sample is clarified without turbidity and can be stored days more than seven days at room temperature' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity_1 11.7965 mg/mL 11.235 12.358 '[U-100% 13C; U-100% 15N]' $entity_1 11.7965 mg/mL 11.235 12.358 '[U-100% 13C; U-100% 15N]' $entity_1 11.7965 mg/mL 11.235 12.358 '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name SPARKY _Version . loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details . save_ ############################# # NMR applied experiments # ############################# save_1D_1H_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1D 1H' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_1 save_ save_3D_HNCO_9 _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 'ionic strength' 0.0005 . M pH 6.4 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio glucose C 13 'methyl carbons' ppm 4.7 internal direct . . . 1 water H 1 protons ppm 4.7 internal direct . . . 1 '[15N] ammonium chloride' N 15 nitrogen ppm 4.7 internal 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ loop_ _Experiment_label '1D 1H' '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HN(CO)CACB' '3D HNCACB' '3D HNCA' '3D HN(CO)CA' '3D HNCACO' '3D HNCO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'lon 211' _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 172.834 0.00 . 2 1 1 MET CA C 53.050 0.03 . 3 1 1 MET CB C 30.160 0.08 . 4 2 2 ASP H H 8.355 0.00 . 5 2 2 ASP C C 173.475 0.02 . 6 2 2 ASP CA C 51.969 0.05 . 7 2 2 ASP CB C 38.310 0.05 . 8 2 2 ASP N N 121.652 0.01 . 9 3 3 LEU H H 8.125 0.00 . 10 3 3 LEU C C 174.660 0.01 . 11 3 3 LEU CA C 52.821 0.04 . 12 3 3 LEU CB C 39.675 0.05 . 13 3 3 LEU N N 122.427 0.02 . 14 4 4 GLU H H 8.340 0.00 . 15 4 4 GLU C C 173.859 0.01 . 16 4 4 GLU CA C 54.151 0.03 . 17 4 4 GLU CB C 27.115 0.08 . 18 4 4 GLU N N 121.209 0.03 . 19 5 5 LEU H H 8.058 0.00 . 20 5 5 LEU C C 174.673 0.01 . 21 5 5 LEU CA C 52.460 0.02 . 22 5 5 LEU CB C 39.698 0.04 . 23 5 5 LEU N N 122.437 0.01 . 24 6 6 SER H H 8.232 0.00 . 25 6 6 SER C C 171.959 0.01 . 26 6 6 SER CA C 55.712 0.04 . 27 6 6 SER CB C 61.062 0.04 . 28 6 6 SER N N 116.252 0.01 . 29 7 7 MET H H 8.319 0.00 . 30 7 7 MET C C 173.432 0.01 . 31 7 7 MET CA C 52.889 0.03 . 32 7 7 MET CB C 30.163 0.07 . 33 7 7 MET N N 122.217 0.01 . 34 8 8 SER H H 8.155 0.00 . 35 8 8 SER C C 171.179 0.01 . 36 8 8 SER CA C 55.673 0.04 . 37 8 8 SER CB C 61.291 0.06 . 38 8 8 SER N N 116.331 0.01 . 39 9 9 GLU H H 8.346 0.00 . 40 9 9 GLU C C 173.047 0.00 . 41 9 9 GLU CA C 53.864 0.02 . 42 9 9 GLU CB C 28.051 0.08 . 43 9 9 GLU N N 123.056 0.01 . 44 10 10 THR H H 8.217 0.00 . 45 10 10 THR C C 171.294 0.01 . 46 10 10 THR CA C 59.154 0.04 . 47 10 10 THR CB C 67.496 0.06 . 48 10 10 THR N N 117.825 0.01 . 49 11 11 LEU H H 8.902 0.00 . 50 11 11 LEU C C 172.740 0.01 . 51 11 11 LEU CA C 51.324 0.02 . 52 11 11 LEU CB C 41.588 0.04 . 53 11 11 LEU N N 126.236 0.02 . 54 12 12 THR H H 8.187 0.00 . 55 12 12 THR C C 171.731 0.00 . 56 12 12 THR CA C 58.623 0.01 . 57 12 12 THR CB C 67.712 0.00 . 58 12 12 THR N N 117.200 0.04 . 59 13 13 LEU H H 8.994 0.00 . 60 13 13 LEU C C 169.231 0.00 . 61 13 13 LEU CA C 49.084 0.00 . 62 13 13 LEU CB C 45.609 0.00 . 63 13 13 LEU N N 125.921 0.02 . 64 14 14 PRO C C 173.102 0.00 . 65 14 14 PRO CA C 57.333 0.01 . 66 15 15 VAL H H 8.563 0.00 . 67 15 15 VAL C C 170.743 0.00 . 68 15 15 VAL CA C 60.015 0.10 . 69 15 15 VAL CB C 29.868 0.00 . 70 15 15 VAL N N 122.984 0.05 . 71 16 16 LEU H H 9.086 0.01 . 72 16 16 LEU CA C 49.331 0.07 . 73 16 16 LEU N N 132.834 0.05 . 74 17 17 PRO C C 169.088 0.00 . 75 17 17 PRO CA C 55.718 0.05 . 76 18 18 LEU H H 8.679 0.00 . 77 18 18 LEU C C 174.098 0.03 . 78 18 18 LEU CA C 50.190 0.10 . 79 18 18 LEU CB C 40.292 0.10 . 80 18 18 LEU N N 125.837 0.04 . 81 19 19 GLU H H 8.642 0.00 . 82 19 19 GLU C C 172.858 0.01 . 83 19 19 GLU CA C 54.081 0.05 . 84 19 19 GLU CB C 27.519 0.12 . 85 19 19 GLU N N 124.436 0.05 . 86 20 20 ASP H H 7.765 0.00 . 87 20 20 ASP C C 172.284 0.01 . 88 20 20 ASP CA C 50.901 0.05 . 89 20 20 ASP CB C 39.647 0.04 . 90 20 20 ASP N N 117.646 0.03 . 91 21 21 GLY H H 8.155 0.00 . 92 21 21 GLY C C 168.692 0.01 . 93 21 21 GLY CA C 42.236 0.06 . 94 21 21 GLY N N 109.845 0.01 . 95 22 22 VAL H H 7.681 0.00 . 96 22 22 VAL C C 170.897 0.01 . 97 22 22 VAL CA C 59.622 0.08 . 98 22 22 VAL CB C 32.500 0.08 . 99 22 22 VAL N N 114.722 0.02 . 100 23 23 VAL H H 6.710 0.01 . 101 23 23 VAL C C 171.777 0.00 . 102 23 23 VAL CA C 59.058 0.06 . 103 23 23 VAL N N 122.177 0.06 . 104 24 24 LEU H H 8.193 0.00 . 105 24 24 LEU CA C 50.257 0.04 . 106 24 24 LEU N N 131.902 0.06 . 107 25 25 PRO C C 171.584 0.00 . 108 25 25 PRO CA C 62.218 0.09 . 109 25 25 PRO CB C 28.311 0.00 . 110 26 26 GLY H H 8.006 0.00 . 111 26 26 GLY C C 172.249 0.00 . 112 26 26 GLY CA C 42.167 0.03 . 113 26 26 GLY N N 109.945 0.04 . 114 27 27 MET H H 7.638 0.00 . 115 27 27 MET C C 171.454 0.01 . 116 27 27 MET CA C 53.715 0.03 . 117 27 27 MET CB C 31.979 0.00 . 118 27 27 MET N N 118.378 0.04 . 119 28 28 VAL H H 8.017 0.00 . 120 28 28 VAL C C 173.012 0.00 . 121 28 28 VAL CA C 58.679 0.03 . 122 28 28 VAL N N 120.600 0.04 . 123 29 29 VAL H H 8.023 0.00 . 124 29 29 VAL C C 173.003 0.00 . 125 29 29 VAL N N 122.355 0.01 . 126 30 30 PRO C C 173.267 0.00 . 127 30 30 PRO CA C 58.544 0.00 . 128 31 31 LEU H H 8.897 0.01 . 129 31 31 LEU C C 169.997 0.00 . 130 31 31 LEU CA C 50.568 0.11 . 131 31 31 LEU N N 122.188 0.05 . 132 32 32 ASP H H 8.396 0.01 . 133 32 32 ASP C C 174.447 0.00 . 134 32 32 ASP CA C 50.825 0.03 . 135 32 32 ASP CB C 38.275 0.00 . 136 32 32 ASP N N 122.079 0.06 . 137 33 33 LEU H H 8.699 0.00 . 138 33 33 LEU C C 174.614 0.00 . 139 33 33 LEU CA C 51.794 0.12 . 140 33 33 LEU CB C 38.500 0.08 . 141 33 33 LEU N N 126.710 0.02 . 142 34 34 SER H H 8.809 0.00 . 143 34 34 SER C C 172.478 0.00 . 144 34 34 SER CA C 58.825 0.02 . 145 34 34 SER CB C 61.044 0.02 . 146 34 34 SER N N 116.943 0.03 . 147 35 35 GLU H H 8.177 0.00 . 148 35 35 GLU C C 173.411 0.01 . 149 35 35 GLU CA C 53.930 0.01 . 150 35 35 GLU CB C 28.333 0.07 . 151 35 35 GLU N N 120.306 0.02 . 152 36 36 ASN H H 8.152 0.01 . 153 36 36 ASN C C 172.773 0.04 . 154 36 36 ASN CA C 50.080 0.02 . 155 36 36 ASN CB C 35.723 0.00 . 156 36 36 ASN N N 118.537 0.04 . 157 37 37 GLY H H 8.464 0.01 . 158 37 37 GLY C C 172.952 0.00 . 159 37 37 GLY CA C 43.565 0.02 . 160 37 37 GLY N N 112.123 0.03 . 161 38 38 GLU H H 8.528 0.01 . 162 38 38 GLU C C 176.915 0.00 . 163 38 38 GLU CA C 56.721 0.03 . 164 38 38 GLU CB C 27.901 0.00 . 165 38 38 GLU N N 121.874 0.04 . 166 39 39 VAL H H 7.902 0.01 . 167 39 39 VAL C C 174.624 0.00 . 168 39 39 VAL CA C 39.654 0.01 . 169 39 39 VAL CB C 28.661 0.00 . 170 39 39 VAL N N 121.148 0.06 . 171 40 40 ARG H H 7.872 0.00 . 172 40 40 ARG C C 175.555 0.01 . 173 40 40 ARG CA C 57.496 0.08 . 174 40 40 ARG CB C 27.066 0.07 . 175 40 40 ARG N N 118.316 0.03 . 176 41 41 ALA H H 8.162 0.00 . 177 41 41 ALA C C 178.130 0.03 . 178 41 41 ALA CA C 52.183 0.11 . 179 41 41 ALA CB C 15.419 0.13 . 180 41 41 ALA N N 118.590 0.03 . 181 42 42 ALA H H 7.645 0.00 . 182 42 42 ALA C C 175.845 0.02 . 183 42 42 ALA CA C 52.878 0.02 . 184 42 42 ALA CB C 15.300 0.11 . 185 42 42 ALA N N 122.018 0.03 . 186 43 43 ILE H H 7.503 0.00 . 187 43 43 ILE C C 175.420 0.01 . 188 43 43 ILE CA C 61.585 0.04 . 189 43 43 ILE CB C 34.077 0.01 . 190 43 43 ILE N N 117.709 0.04 . 191 44 44 GLU H H 8.515 0.00 . 192 44 44 GLU C C 177.214 0.01 . 193 44 44 GLU CA C 56.746 0.01 . 194 44 44 GLU CB C 26.347 0.01 . 195 44 44 GLU N N 118.698 0.05 . 196 45 45 ALA H H 8.110 0.00 . 197 45 45 ALA C C 176.395 0.00 . 198 45 45 ALA CA C 52.592 0.03 . 199 45 45 ALA CB C 16.533 0.00 . 200 45 45 ALA N N 123.921 0.04 . 201 46 46 ALA H H 7.973 0.00 . 202 46 46 ALA C C 179.103 0.02 . 203 46 46 ALA CA C 51.937 0.04 . 204 46 46 ALA CB C 16.662 0.00 . 205 46 46 ALA N N 120.510 0.03 . 206 47 47 ARG H H 8.634 0.00 . 207 47 47 ARG C C 175.918 0.03 . 208 47 47 ARG CA C 57.333 0.01 . 209 47 47 ARG CB C 27.333 0.08 . 210 47 47 ARG N N 120.833 0.02 . 211 48 48 ALA H H 8.003 0.00 . 212 48 48 ALA C C 178.072 0.02 . 213 48 48 ALA CA C 52.090 0.10 . 214 48 48 ALA CB C 15.175 0.09 . 215 48 48 ALA N N 121.745 0.04 . 216 49 49 ALA H H 8.130 0.00 . 217 49 49 ALA C C 176.459 0.02 . 218 49 49 ALA CA C 51.502 0.03 . 219 49 49 ALA CB C 16.323 0.10 . 220 49 49 ALA N N 120.254 0.03 . 221 50 50 ALA H H 7.651 0.00 . 222 50 50 ALA C C 175.778 0.01 . 223 50 50 ALA CA C 50.899 0.06 . 224 50 50 ALA CB C 15.737 0.09 . 225 50 50 ALA N N 120.265 0.02 . 226 51 51 GLN H H 7.692 0.00 . 227 51 51 GLN C C 174.013 0.00 . 228 51 51 GLN CA C 53.780 0.01 . 229 51 51 GLN CB C 26.250 0.10 . 230 51 51 GLN N N 116.776 0.01 . 231 52 52 SER H H 7.846 0.00 . 232 52 52 SER C C 171.840 0.00 . 233 52 52 SER CA C 56.257 0.01 . 234 52 52 SER CB C 60.995 0.03 . 235 52 52 SER N N 115.397 0.02 . 236 53 53 ARG H H 8.049 0.00 . 237 53 53 ARG C C 173.559 0.01 . 238 53 53 ARG CA C 53.444 0.06 . 239 53 53 ARG CB C 28.279 0.06 . 240 53 53 ARG N N 121.950 0.02 . 241 54 54 GLY H H 7.995 0.00 . 242 54 54 GLY C C 168.913 0.00 . 243 54 54 GLY CA C 42.014 0.04 . 244 54 54 GLY N N 108.827 0.01 . 245 55 55 PRO C C 175.105 0.00 . 246 55 55 PRO CA C 60.855 0.04 . 247 55 55 PRO CB C 29.291 0.07 . 248 56 56 GLY H H 8.479 0.00 . 249 56 56 GLY C C 171.411 0.00 . 250 56 56 GLY CA C 42.706 0.02 . 251 56 56 GLY N N 109.547 0.01 . 252 57 57 ILE H H 7.822 0.00 . 253 57 57 ILE C C 173.754 0.01 . 254 57 57 ILE CA C 58.478 0.05 . 255 57 57 ILE CB C 35.465 0.06 . 256 57 57 ILE N N 120.292 0.01 . 257 58 58 ARG H H 8.410 0.00 . 258 58 58 ARG C C 173.557 0.01 . 259 58 58 ARG CA C 53.597 0.03 . 260 58 58 ARG CB C 27.957 0.06 . 261 58 58 ARG N N 124.513 0.01 . 262 59 59 SER H H 8.096 0.00 . 263 59 59 SER C C 171.589 0.00 . 264 59 59 SER CA C 55.580 0.04 . 265 59 59 SER CB C 61.214 0.05 . 266 59 59 SER N N 116.225 0.01 . 267 60 60 VAL H H 8.118 0.00 . 268 60 60 VAL C C 173.322 0.01 . 269 60 60 VAL CA C 59.445 0.03 . 270 60 60 VAL CB C 30.017 0.06 . 271 60 60 VAL N N 120.705 0.01 . 272 61 61 SER H H 8.280 0.00 . 273 61 61 SER C C 171.298 0.00 . 274 61 61 SER CA C 55.342 0.01 . 275 61 61 SER CB C 61.508 0.02 . 276 61 61 SER N N 119.861 0.01 . 277 62 62 LYS H H 8.088 0.00 . 278 62 62 LYS C C 171.507 0.00 . 279 62 62 LYS CA C 52.193 0.04 . 280 62 62 LYS CB C 29.662 0.00 . 281 62 62 LYS N N 123.093 0.03 . 282 63 63 PRO C C 174.931 0.00 . 283 63 63 PRO CA C 55.359 0.03 . 284 64 64 ARG H H 7.458 0.00 . 285 64 64 ARG C C 173.215 0.00 . 286 64 64 ARG CA C 53.178 0.09 . 287 64 64 ARG CB C 26.463 0.13 . 288 64 64 ARG N N 115.160 0.04 . 289 65 65 VAL H H 7.398 0.00 . 290 65 65 VAL C C 173.159 0.03 . 291 65 65 VAL CA C 60.263 0.02 . 292 65 65 VAL CB C 35.191 0.00 . 293 65 65 VAL N N 120.736 0.03 . 294 66 66 LEU H H 8.423 0.00 . 295 66 66 LEU C C 173.030 0.04 . 296 66 66 LEU CA C 51.518 0.08 . 297 66 66 LEU CB C 39.594 0.06 . 298 66 66 LEU N N 127.903 0.03 . 299 67 67 LEU H H 7.444 0.00 . 300 67 67 LEU C C 171.617 0.00 . 301 67 67 LEU CA C 49.101 0.02 . 302 67 67 LEU CB C 40.666 0.00 . 303 67 67 LEU N N 121.230 0.01 . 304 69 69 PRO C C 171.915 0.00 . 305 69 69 PRO CA C 60.216 0.02 . 306 69 69 PRO CB C 29.999 0.00 . 307 70 70 ARG H H 8.123 0.00 . 308 70 70 ARG C C 171.469 0.01 . 309 70 70 ARG CA C 51.928 0.03 . 310 70 70 ARG CB C 32.546 4.65 . 311 70 70 ARG N N 123.986 0.04 . 312 71 71 LEU H H 8.175 0.00 . 313 71 71 LEU C C 174.182 0.03 . 314 71 71 LEU CA C 51.340 0.02 . 315 71 71 LEU CB C 40.662 0.02 . 316 71 71 LEU N N 125.961 0.02 . 317 72 72 ASN H H 9.513 0.00 . 318 72 72 ASN C C 172.853 0.00 . 319 72 72 ASN CA C 51.375 0.05 . 320 72 72 ASN CB C 34.752 0.04 . 321 72 72 ASN N N 124.864 0.02 . 322 73 73 GLY H H 8.450 0.00 . 323 73 73 GLY C C 170.344 0.01 . 324 73 73 GLY CA C 42.636 0.03 . 325 73 73 GLY N N 103.228 0.02 . 326 74 74 ARG H H 7.490 0.00 . 327 74 74 ARG C C 172.908 0.02 . 328 74 74 ARG CA C 51.637 0.04 . 329 74 74 ARG CB C 29.397 0.08 . 330 74 74 ARG N N 120.594 0.03 . 331 75 75 TYR H H 8.587 0.00 . 332 75 75 TYR C C 173.927 0.02 . 333 75 75 TYR CA C 53.262 6.97 . 334 75 75 TYR CB C 36.177 0.00 . 335 75 75 TYR N N 124.765 0.03 . 336 76 76 ALA H H 7.681 0.00 . 337 76 76 ALA C C 172.532 0.02 . 338 76 76 ALA CA C 49.137 0.03 . 339 76 76 ALA CB C 16.831 0.02 . 340 76 76 ALA N N 123.250 0.03 . 341 77 77 ASP H H 8.587 0.00 . 342 77 77 ASP C C 173.027 0.00 . 343 77 77 ASP CA C 53.024 0.04 . 344 77 77 ASP CB C 39.237 0.05 . 345 77 77 ASP N N 115.947 0.04 . 346 78 78 VAL H H 7.367 0.00 . 347 78 78 VAL C C 170.933 0.01 . 348 78 78 VAL CA C 57.285 0.04 . 349 78 78 VAL CB C 33.086 0.00 . 350 78 78 VAL N N 118.570 0.02 . 351 79 79 GLY H H 8.518 0.00 . 352 79 79 GLY C C 168.812 0.00 . 353 79 79 GLY CA C 40.788 0.02 . 354 79 79 GLY N N 107.316 0.04 . 355 80 80 THR H H 8.513 0.00 . 356 80 80 THR C C 172.156 0.04 . 357 80 80 THR CA C 57.368 0.03 . 358 80 80 THR CB C 67.835 0.00 . 359 80 80 THR N N 116.307 0.04 . 360 81 81 LEU H H 9.081 0.01 . 361 81 81 LEU C C 171.597 0.00 . 362 81 81 LEU CA C 51.003 5.15 . 363 81 81 LEU CB C 39.702 0.00 . 364 81 81 LEU N N 131.084 0.05 . 365 82 82 GLY H H 9.669 0.00 . 366 82 82 GLY C C 168.439 0.00 . 367 82 82 GLY CA C 40.984 0.06 . 368 82 82 GLY N N 118.260 0.03 . 369 83 83 VAL H H 8.573 0.00 . 370 83 83 VAL C C 172.894 0.00 . 371 83 83 VAL CA C 56.967 0.01 . 372 83 83 VAL CB C 31.753 0.00 . 373 83 83 VAL N N 119.233 0.03 . 374 84 84 ILE H H 8.343 0.00 . 375 84 84 ILE C C 172.263 0.00 . 376 84 84 ILE CA C 57.025 0.02 . 377 84 84 ILE N N 125.776 0.03 . 378 85 85 GLU H H 8.524 0.00 . 379 85 85 GLU C C 174.022 0.02 . 380 85 85 GLU CA C 54.318 0.02 . 381 85 85 GLU CB C 28.843 0.00 . 382 85 85 GLU N N 128.613 0.03 . 383 86 86 GLN H H 7.614 0.00 . 384 86 86 GLN C C 171.387 0.01 . 385 86 86 GLN CA C 52.551 0.06 . 386 86 86 GLN CB C 29.179 0.00 . 387 86 86 GLN N N 114.997 0.03 . 388 87 87 GLU H H 8.416 0.00 . 389 87 87 GLU C C 172.547 0.02 . 390 87 87 GLU CA C 53.365 0.05 . 391 87 87 GLU CB C 30.040 0.07 . 392 87 87 GLU N N 121.778 0.02 . 393 88 88 GLY H H 8.034 0.00 . 394 88 88 GLY C C 170.010 0.00 . 395 88 88 GLY CA C 42.792 0.03 . 396 88 88 GLY N N 110.498 0.02 . 397 89 89 ARG H H 8.397 0.00 . 398 89 89 ARG C C 174.004 0.01 . 399 89 89 ARG CA C 52.681 0.02 . 400 89 89 ARG CB C 29.061 0.11 . 401 89 89 ARG N N 121.934 0.03 . 402 90 90 LEU H H 8.953 0.00 . 403 90 90 LEU C C 173.952 0.00 . 404 90 90 LEU CA C 51.008 0.02 . 405 90 90 LEU CB C 36.556 0.00 . 406 90 90 LEU N N 125.195 0.02 . 407 91 91 PRO C C 175.329 0.01 . 408 91 91 PRO CA C 63.116 0.04 . 409 91 91 PRO CB C 29.023 0.00 . 410 92 92 GLY H H 8.433 0.00 . 411 92 92 GLY C C 172.464 0.01 . 412 92 92 GLY CA C 42.808 0.04 . 413 92 92 GLY N N 105.565 0.03 . 414 93 93 GLY H H 8.220 0.00 . 415 93 93 GLY C C 171.314 0.01 . 416 93 93 GLY CA C 42.019 0.05 . 417 93 93 GLY N N 107.902 0.01 . 418 94 94 GLU H H 9.216 0.00 . 419 94 94 GLU C C 171.139 0.00 . 420 94 94 GLU CA C 52.927 0.01 . 421 94 94 GLU CB C 24.986 0.00 . 422 94 94 GLU N N 123.965 0.01 . 423 95 95 PRO C C 173.804 0.00 . 424 95 95 PRO CA C 60.418 0.03 . 425 95 95 PRO CB C 29.231 0.00 . 426 96 96 GLY H H 8.113 0.01 . 427 96 96 GLY C C 169.594 0.03 . 428 96 96 GLY CA C 42.537 0.06 . 429 96 96 GLY N N 108.809 0.04 . 430 97 97 ALA H H 8.367 0.00 . 431 97 97 ALA C C 172.519 0.00 . 432 97 97 ALA CA C 48.092 0.05 . 433 97 97 ALA CB C 19.747 0.08 . 434 97 97 ALA N N 120.149 0.05 . 435 98 98 VAL H H 8.472 0.00 . 436 98 98 VAL C C 172.009 0.00 . 437 98 98 VAL CA C 59.004 0.01 . 438 98 98 VAL CB C 31.284 0.00 . 439 98 98 VAL N N 120.108 0.04 . 440 99 99 VAL H H 8.761 0.00 . 441 99 99 VAL CA C 55.775 0.07 . 442 99 99 VAL N N 124.129 0.03 . 443 100 100 ARG H H 8.446 0.00 . 444 100 100 ARG C C 174.047 0.00 . 445 100 100 ARG CA C 50.323 0.02 . 446 100 100 ARG CB C 31.570 0.00 . 447 100 100 ARG N N 123.186 0.00 . 448 101 101 GLY H H 9.449 0.00 . 449 101 101 GLY C C 172.207 0.00 . 450 101 101 GLY CA C 43.593 0.02 . 451 101 101 GLY N N 112.503 0.02 . 452 102 102 VAL H H 9.784 0.00 . 453 102 102 VAL C C 172.762 0.00 . 454 102 102 VAL CA C 62.209 0.06 . 455 102 102 VAL CB C 31.796 0.00 . 456 102 102 VAL N N 127.232 0.03 . 457 103 103 SER H H 6.912 0.00 . 458 103 103 SER C C 170.515 0.01 . 459 103 103 SER CA C 54.715 0.05 . 460 103 103 SER CB C 63.785 0.10 . 461 103 103 SER N N 109.765 0.02 . 462 104 104 ARG H H 8.914 0.00 . 463 104 104 ARG C C 173.069 0.01 . 464 104 104 ARG CA C 53.819 0.03 . 465 104 104 ARG CB C 30.343 0.07 . 466 104 104 ARG N N 122.947 0.03 . 467 105 105 VAL H H 8.671 0.01 . 468 105 105 VAL C C 172.159 0.05 . 469 105 105 VAL CA C 57.279 0.08 . 470 105 105 VAL CB C 33.550 0.00 . 471 105 105 VAL N N 120.430 0.04 . 472 106 106 ARG H H 9.030 0.00 . 473 106 106 ARG C C 173.471 0.00 . 474 106 106 ARG CA C 53.003 0.02 . 475 106 106 ARG CB C 27.738 0.00 . 476 106 106 ARG N N 127.303 0.06 . 477 107 107 ILE H H 8.007 0.00 . 478 107 107 ILE C C 172.972 0.00 . 479 107 107 ILE CA C 61.880 0.05 . 480 107 107 ILE CB C 34.990 0.00 . 481 107 107 ILE N N 131.059 0.03 . 482 108 108 GLY H H 8.861 0.01 . 483 108 108 GLY C C 170.184 0.02 . 484 108 108 GLY CA C 41.946 0.03 . 485 108 108 GLY N N 120.030 0.02 . 486 109 109 THR H H 8.032 0.00 . 487 109 109 THR C C 171.150 0.00 . 488 109 109 THR CA C 59.039 0.03 . 489 109 109 THR CB C 67.386 0.05 . 490 109 109 THR N N 116.260 0.02 . 491 110 110 GLY H H 8.285 0.01 . 492 110 110 GLY C C 170.965 0.05 . 493 110 110 GLY CA C 43.019 0.10 . 494 110 110 GLY N N 109.034 0.04 . 495 111 111 THR H H 8.490 0.00 . 496 111 111 THR C C 169.877 0.01 . 497 111 111 THR CA C 56.059 0.07 . 498 111 111 THR CB C 66.870 0.02 . 499 111 111 THR N N 118.781 0.05 . 500 112 112 THR H H 8.222 0.00 . 501 112 112 THR C C 170.103 0.01 . 502 112 112 THR CA C 57.262 0.06 . 503 112 112 THR CB C 68.600 0.06 . 504 112 112 THR N N 114.521 0.02 . 505 113 113 GLY H H 7.851 0.00 . 506 113 113 GLY CA C 41.310 0.01 . 507 113 113 GLY N N 109.967 0.02 . 508 114 114 PRO C C 174.442 0.03 . 509 114 114 PRO CA C 60.024 0.04 . 510 115 115 GLY H H 8.383 0.00 . 511 115 115 GLY C C 171.953 0.00 . 512 115 115 GLY CA C 42.683 0.03 . 513 115 115 GLY N N 105.659 0.04 . 514 116 116 ALA H H 9.048 0.00 . 515 116 116 ALA C C 174.194 0.02 . 516 116 116 ALA CA C 48.692 0.04 . 517 116 116 ALA CB C 16.620 0.09 . 518 116 116 ALA N N 123.072 0.03 . 519 117 117 ALA H H 6.702 0.00 . 520 117 117 ALA C C 172.788 0.01 . 521 117 117 ALA CA C 48.254 0.05 . 522 117 117 ALA CB C 17.878 0.07 . 523 117 117 ALA N N 120.040 0.02 . 524 118 118 LEU H H 8.718 0.01 . 525 118 118 LEU C C 172.275 0.00 . 526 118 118 LEU CA C 52.257 0.05 . 527 118 118 LEU CB C 39.635 0.06 . 528 118 118 LEU N N 122.523 0.03 . 529 119 119 TRP H H 8.615 0.00 . 530 119 119 TRP C C 173.611 0.03 . 531 119 119 TRP CA C 53.764 0.02 . 532 119 119 TRP CB C 27.783 0.00 . 533 119 119 TRP N N 126.017 0.03 . 534 120 120 VAL H H 8.772 0.01 . 535 120 120 VAL C C 172.055 0.02 . 536 120 120 VAL CA C 55.963 0.07 . 537 120 120 VAL CB C 32.735 0.00 . 538 120 120 VAL N N 113.735 0.05 . 539 121 121 GLU H H 8.191 0.00 . 540 121 121 GLU C C 174.103 0.01 . 541 121 121 GLU CA C 52.211 0.06 . 542 121 121 GLU N N 120.241 0.03 . 543 122 122 GLY H H 8.635 0.00 . 544 122 122 GLY C C 168.738 0.01 . 545 122 122 GLY CA C 42.399 0.05 . 546 122 122 GLY N N 107.309 0.03 . 547 123 123 THR H H 8.000 0.00 . 548 123 123 THR C C 170.958 0.02 . 549 123 123 THR CA C 57.903 0.08 . 550 123 123 THR CB C 68.683 0.05 . 551 123 123 THR N N 114.904 0.02 . 552 124 124 VAL H H 8.937 0.00 . 553 124 124 VAL C C 172.967 0.00 . 554 124 124 VAL CA C 61.301 0.08 . 555 124 124 VAL CB C 29.407 0.12 . 556 124 124 VAL N N 127.778 0.03 . 557 125 125 LEU H H 8.283 0.00 . 558 125 125 LEU C C 173.019 0.05 . 559 125 125 LEU CA C 50.647 0.05 . 560 125 125 LEU CB C 38.966 0.06 . 561 125 125 LEU N N 129.197 0.04 . 562 126 126 GLU H H 8.450 0.00 . 563 126 126 GLU C C 173.026 0.00 . 564 126 126 GLU CA C 52.992 0.04 . 565 126 126 GLU CB C 28.223 0.08 . 566 126 126 GLU N N 124.435 0.01 . 567 127 127 ALA H H 8.623 0.00 . 568 127 127 ALA C C 172.463 0.00 . 569 127 127 ALA CA C 47.373 0.04 . 570 127 127 ALA CB C 15.564 0.00 . 571 127 127 ALA N N 128.442 0.01 . 572 129 129 PRO C C 174.180 0.01 . 573 129 129 PRO CA C 60.155 0.02 . 574 129 129 PRO CB C 29.167 0.08 . 575 130 130 ALA H H 8.551 0.00 . 576 130 130 ALA C C 174.701 0.01 . 577 130 130 ALA CA C 49.708 0.05 . 578 130 130 ALA CB C 16.396 0.08 . 579 130 130 ALA N N 125.666 0.01 . 580 131 131 SER H H 8.065 0.00 . 581 131 131 SER C C 172.497 0.04 . 582 131 131 SER CA C 53.951 0.02 . 583 131 131 SER CB C 62.870 0.03 . 584 131 131 SER N N 118.081 0.02 . 585 132 132 GLY H H 8.906 0.00 . 586 132 132 GLY C C 174.125 0.02 . 587 132 132 GLY CA C 44.703 0.05 . 588 132 132 GLY N N 109.622 0.04 . 589 133 133 ARG H H 8.386 0.00 . 590 133 133 ARG C C 175.208 0.01 . 591 133 133 ARG CA C 55.465 0.07 . 592 133 133 ARG CB C 26.856 0.03 . 593 133 133 ARG N N 122.735 0.03 . 594 134 134 ALA H H 7.716 0.00 . 595 134 134 ALA C C 176.358 0.01 . 596 134 134 ALA CA C 52.874 0.01 . 597 134 134 ALA CB C 15.584 0.11 . 598 134 134 ALA N N 120.363 0.03 . 599 135 135 GLN H H 7.842 0.00 . 600 135 135 GLN C C 176.476 0.03 . 601 135 135 GLN CA C 56.322 0.00 . 602 135 135 GLN CB C 25.276 0.15 . 603 135 135 GLN N N 115.182 0.05 . 604 136 136 GLU H H 7.922 0.00 . 605 136 136 GLU C C 177.534 0.02 . 606 136 136 GLU CA C 56.622 0.07 . 607 136 136 GLU CB C 26.943 0.00 . 608 136 136 GLU N N 121.267 0.04 . 609 137 137 LEU H H 8.339 0.00 . 610 137 137 LEU C C 176.119 0.00 . 611 137 137 LEU CA C 54.505 0.02 . 612 137 137 LEU CB C 40.374 0.00 . 613 137 137 LEU N N 120.918 0.06 . 614 138 138 ALA H H 8.534 0.00 . 615 138 138 ALA C C 176.243 0.01 . 616 138 138 ALA CA C 52.832 0.06 . 617 138 138 ALA CB C 15.239 0.10 . 618 138 138 ALA N N 122.469 0.05 . 619 139 139 LYS H H 7.456 0.00 . 620 139 139 LYS C C 176.946 0.02 . 621 139 139 LYS CA C 57.349 0.05 . 622 139 139 LYS CB C 29.560 0.00 . 623 139 139 LYS N N 117.461 0.03 . 624 140 140 GLU H H 7.561 0.01 . 625 140 140 GLU C C 177.068 0.00 . 626 140 140 GLU CA C 56.479 0.00 . 627 140 140 GLU CB C 29.564 0.00 . 628 140 140 GLU N N 121.515 0.04 . 629 141 141 TYR H H 9.088 0.00 . 630 141 141 TYR C C 174.017 0.04 . 631 141 141 TYR CA C 52.418 9.96 . 632 141 141 TYR N N 120.213 0.02 . 633 142 142 LYS H H 8.709 0.00 . 634 142 142 LYS C C 176.743 0.01 . 635 142 142 LYS CA C 58.169 0.02 . 636 142 142 LYS CB C 29.752 0.00 . 637 142 142 LYS N N 118.100 0.03 . 638 143 143 GLY H H 7.584 0.00 . 639 143 143 GLY C C 173.675 0.00 . 640 143 143 GLY CA C 44.393 0.06 . 641 143 143 GLY N N 105.391 0.03 . 642 144 144 LEU H H 7.556 0.00 . 643 144 144 LEU C C 175.697 0.00 . 644 144 144 LEU CA C 54.940 0.03 . 645 144 144 LEU CB C 40.245 0.00 . 646 144 144 LEU N N 123.633 0.03 . 647 145 145 VAL H H 8.394 0.00 . 648 145 145 VAL C C 175.510 0.00 . 649 145 145 VAL CA C 63.361 0.09 . 650 145 145 VAL CB C 28.785 0.00 . 651 145 145 VAL N N 118.327 0.05 . 652 146 146 SER H H 7.890 0.00 . 653 146 146 SER C C 173.040 0.00 . 654 146 146 SER CA C 59.933 0.05 . 655 146 146 SER N N 114.531 0.04 . 656 147 147 ALA H H 7.376 0.00 . 657 147 147 ALA C C 178.057 0.00 . 658 147 147 ALA CA C 52.345 0.05 . 659 147 147 ALA CB C 15.458 0.00 . 660 147 147 ALA N N 122.446 0.02 . 661 148 148 ILE H H 8.292 0.00 . 662 148 148 ILE CA C 56.471 0.02 . 663 148 148 ILE N N 116.266 0.02 . 664 152 152 ARG C C 173.986 0.00 . 665 152 152 ARG CA C 53.288 0.02 . 666 153 153 GLY H H 7.828 0.00 . 667 153 153 GLY CA C 42.685 0.00 . 668 153 153 GLY N N 109.174 0.01 . 669 154 154 ALA C C 175.307 0.00 . 670 155 155 TRP H H 8.013 0.00 . 671 155 155 TRP C C 172.228 0.00 . 672 155 155 TRP CA C 60.252 0.04 . 673 155 155 TRP N N 121.784 0.00 . 674 156 156 GLN H H 8.002 0.00 . 675 156 156 GLN C C 172.118 0.04 . 676 156 156 GLN CA C 51.775 0.02 . 677 156 156 GLN CB C 31.105 0.01 . 678 156 156 GLN N N 120.068 0.06 . 679 157 157 VAL H H 8.708 0.00 . 680 157 157 VAL C C 170.003 0.01 . 681 157 157 VAL CA C 55.449 0.02 . 682 157 157 VAL CB C 33.199 0.00 . 683 157 157 VAL N N 111.945 0.06 . 684 158 158 VAL H H 8.451 0.00 . 685 158 158 VAL C C 171.460 0.00 . 686 158 158 VAL CA C 50.289 0.06 . 687 158 158 VAL N N 123.024 0.01 . 688 159 159 ASP H H 9.075 0.00 . 689 159 159 ASP C C 174.052 0.00 . 690 159 159 ASP CA C 51.644 0.02 . 691 159 159 ASP CB C 38.691 0.09 . 692 159 159 ASP N N 127.664 0.02 . 693 160 160 VAL H H 8.300 0.00 . 694 160 160 VAL C C 170.050 0.00 . 695 160 160 VAL CA C 55.980 0.06 . 696 160 160 VAL CB C 32.148 0.00 . 697 160 160 VAL N N 126.738 0.03 . 698 167 167 PRO C C 173.969 0.00 . 699 167 167 PRO CA C 63.258 0.05 . 700 167 167 PRO CB C 30.198 0.00 . 701 168 168 SER H H 8.541 0.01 . 702 168 168 SER C C 173.884 0.00 . 703 168 168 SER CA C 58.599 0.07 . 704 168 168 SER CB C 60.778 0.00 . 705 168 168 SER N N 110.203 0.04 . 706 169 169 THR H H 7.792 0.00 . 707 169 169 THR C C 174.297 0.00 . 708 169 169 THR CA C 63.907 0.04 . 709 169 169 THR CB C 65.726 0.00 . 710 169 169 THR N N 116.792 0.02 . 711 170 170 LEU H H 8.313 0.00 . 712 170 170 LEU N N 122.522 0.03 . 713 172 172 ASP C C 173.755 0.00 . 714 172 172 ASP CA C 58.818 0.04 . 715 172 172 ASP CB C 35.719 0.11 . 716 173 173 ASN H H 8.334 0.00 . 717 173 173 ASN C C 173.465 0.00 . 718 173 173 ASN CA C 53.294 0.06 . 719 173 173 ASN CB C 28.203 0.06 . 720 173 173 ASN N N 124.073 0.03 . 721 174 174 SER H H 8.186 0.00 . 722 174 174 SER CA C 57.244 1.57 . 723 174 174 SER CB C 61.166 0.00 . 724 174 174 SER N N 116.508 0.05 . 725 175 175 GLY H H 7.941 0.00 . 726 175 175 GLY CA C 44.573 0.02 . 727 175 175 GLY N N 108.663 0.02 . 728 176 176 TYR H H 7.628 0.00 . 729 176 176 TYR CA C 55.937 0.08 . 730 176 176 TYR CB C 36.556 0.00 . 731 176 176 TYR N N 116.832 0.01 . 732 177 177 ALA H H 8.123 0.01 . 733 177 177 ALA CA C 52.730 0.03 . 734 177 177 ALA CB C 14.948 0.00 . 735 177 177 ALA N N 119.681 0.04 . 736 178 178 PRO C C 173.368 0.00 . 737 178 178 PRO CA C 60.623 0.02 . 738 179 179 TYR H H 5.736 0.00 . 739 179 179 TYR C C 171.129 0.01 . 740 179 179 TYR CA C 52.170 0.02 . 741 179 179 TYR N N 109.745 0.02 . 742 180 180 LEU H H 6.026 0.00 . 743 180 180 LEU C C 173.291 0.44 . 744 180 180 LEU CA C 49.834 0.10 . 745 180 180 LEU CB C 40.585 0.00 . 746 180 180 LEU N N 120.021 0.03 . 747 181 181 THR H H 8.758 0.01 . 748 181 181 THR C C 172.930 0.04 . 749 181 181 THR CA C 57.645 0.06 . 750 181 181 THR CB C 68.145 0.08 . 751 181 181 THR N N 113.921 0.03 . 752 182 182 ASP H H 8.939 0.00 . 753 182 182 ASP C C 175.231 0.03 . 754 182 182 ASP CA C 55.385 0.02 . 755 182 182 ASP CB C 36.488 0.07 . 756 182 182 ASP N N 121.680 0.02 . 757 183 183 GLU H H 8.475 0.00 . 758 183 183 GLU C C 177.095 0.02 . 759 183 183 GLU CA C 58.047 0.01 . 760 183 183 GLU CB C 26.209 0.00 . 761 183 183 GLU N N 118.171 0.03 . 762 184 184 GLN H H 7.424 0.01 . 763 184 184 GLN C C 175.156 0.00 . 764 184 184 GLN CA C 56.248 0.02 . 765 184 184 GLN CB C 25.072 0.00 . 766 184 184 GLN N N 120.584 0.03 . 767 185 185 LYS H H 8.058 0.00 . 768 185 185 LYS C C 175.945 0.03 . 769 185 185 LYS CA C 57.957 0.02 . 770 185 185 LYS CB C 29.771 0.00 . 771 185 185 LYS N N 118.859 0.04 . 772 186 186 ILE H H 8.484 0.00 . 773 186 186 ILE C C 174.349 0.04 . 774 186 186 ILE CA C 63.013 0.02 . 775 186 186 ILE CB C 34.732 0.00 . 776 186 186 ILE N N 120.722 0.05 . 777 187 187 GLU H H 7.533 0.01 . 778 187 187 GLU CA C 57.349 0.07 . 779 187 187 GLU CB C 27.064 0.15 . 780 187 187 GLU N N 121.412 0.02 . 781 188 188 VAL H H 8.054 0.00 . 782 188 188 VAL N N 121.192 0.03 . 783 189 189 LEU C C 175.132 0.00 . 784 189 189 LEU CA C 55.847 0.04 . 785 190 190 GLU H H 8.165 0.00 . 786 190 190 GLU C C 173.180 0.03 . 787 190 190 GLU CA C 54.700 0.08 . 788 190 190 GLU CB C 27.241 0.11 . 789 190 190 GLU N N 112.650 0.04 . 790 191 191 THR H H 7.337 0.00 . 791 191 191 THR C C 170.181 0.01 . 792 191 191 THR CA C 59.729 0.05 . 793 191 191 THR CB C 65.669 0.03 . 794 191 191 THR N N 118.083 0.04 . 795 192 192 VAL H H 7.856 0.00 . 796 192 192 VAL C C 174.548 0.03 . 797 192 192 VAL CA C 63.480 0.07 . 798 192 192 VAL CB C 29.330 0.00 . 799 192 192 VAL N N 126.590 0.03 . 800 193 193 ASP H H 8.408 0.01 . 801 193 193 ASP C C 174.010 0.00 . 802 193 193 ASP CA C 52.937 0.06 . 803 193 193 ASP CB C 40.257 0.04 . 804 193 193 ASP N N 121.472 0.04 . 805 194 194 VAL H H 8.253 0.01 . 806 194 194 VAL C C 173.589 0.03 . 807 194 194 VAL CA C 63.517 0.05 . 808 194 194 VAL CB C 29.298 0.00 . 809 194 194 VAL N N 126.796 0.03 . 810 195 195 VAL H H 7.589 0.01 . 811 195 195 VAL C C 174.596 0.03 . 812 195 195 VAL CA C 40.003 0.02 . 813 195 195 VAL CB C 28.015 0.00 . 814 195 195 VAL N N 121.677 0.03 . 815 196 196 GLU H H 8.226 0.00 . 816 196 196 GLU C C 177.012 0.03 . 817 196 196 GLU CA C 56.514 0.04 . 818 196 196 GLU N N 119.061 0.02 . 819 197 197 ARG H H 8.141 0.00 . 820 197 197 ARG C C 175.437 0.00 . 821 197 197 ARG CA C 57.583 0.04 . 822 197 197 ARG CB C 29.507 0.06 . 823 197 197 ARG N N 119.290 0.03 . 824 198 198 LEU H H 8.245 0.00 . 825 198 198 LEU C C 175.684 0.00 . 826 198 198 LEU CA C 55.105 0.03 . 827 198 198 LEU CB C 39.793 0.00 . 828 198 198 LEU N N 118.177 0.04 . 829 199 199 GLU H H 8.409 0.00 . 830 199 199 GLU C C 177.387 0.00 . 831 199 199 GLU CA C 57.923 0.02 . 832 199 199 GLU CB C 26.245 0.00 . 833 199 199 GLU N N 117.830 0.05 . 834 200 200 LEU H H 7.467 0.00 . 835 200 200 LEU C C 175.772 0.00 . 836 200 200 LEU CA C 54.666 0.08 . 837 200 200 LEU CB C 39.252 0.00 . 838 200 200 LEU N N 120.002 0.02 . 839 201 201 VAL H H 7.555 0.00 . 840 201 201 VAL C C 177.995 0.02 . 841 201 201 VAL CA C 62.847 0.08 . 842 201 201 VAL CB C 29.076 0.00 . 843 201 201 VAL N N 111.991 0.03 . 844 202 202 ILE H H 8.941 0.00 . 845 202 202 ILE C C 174.728 0.00 . 846 202 202 ILE CA C 39.563 0.02 . 847 202 202 ILE N N 126.698 0.02 . 848 203 203 GLY H H 7.492 0.00 . 849 203 203 GLY C C 174.035 0.00 . 850 203 203 GLY CA C 45.033 0.09 . 851 203 203 GLY N N 106.722 0.02 . 852 204 204 TRP H H 7.638 0.00 . 853 204 204 TRP C C 177.236 0.00 . 854 204 204 TRP CA C 55.481 0.06 . 855 204 204 TRP CB C 26.980 0.00 . 856 204 204 TRP N N 119.261 0.03 . 857 205 205 THR H H 8.429 0.00 . 858 205 205 THR C C 173.169 0.00 . 859 205 205 THR CA C 40.737 0.01 . 860 205 205 THR N N 117.350 0.04 . 861 206 206 ARG H H 8.801 0.01 . 862 206 206 ARG C C 176.563 0.01 . 863 206 206 ARG CA C 58.070 0.03 . 864 206 206 ARG CB C 26.953 0.13 . 865 206 206 ARG N N 122.275 0.05 . 866 207 207 ASP H H 7.866 0.00 . 867 207 207 ASP C C 175.647 0.00 . 868 207 207 ASP CA C 54.525 0.04 . 869 207 207 ASP CB C 37.421 0.03 . 870 207 207 ASP N N 118.565 0.01 . 871 208 208 HIS H H 7.670 0.00 . 872 208 208 HIS C C 173.423 0.01 . 873 208 208 HIS CA C 55.380 0.10 . 874 208 208 HIS CB C 26.208 0.00 . 875 208 208 HIS N N 117.271 0.05 . 876 209 209 LEU H H 7.769 0.00 . 877 209 209 LEU C C 173.991 0.00 . 878 209 209 LEU CA C 53.953 0.03 . 879 209 209 LEU CB C 39.994 0.02 . 880 209 209 LEU N N 120.601 0.02 . 881 210 210 ALA H H 7.405 0.00 . 882 210 210 ALA C C 174.117 0.01 . 883 210 210 ALA CA C 49.773 0.05 . 884 210 210 ALA CB C 16.317 0.08 . 885 210 210 ALA N N 120.894 0.02 . 886 211 211 GLU H H 7.346 0.00 . 887 211 211 GLU C C 178.708 0.00 . 888 211 211 GLU CA C 55.766 0.04 . 889 211 211 GLU CB C 28.071 0.00 . 890 211 211 GLU N N 124.192 0.01 . stop_ save_