data_25346 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; MG200 EAGR box ; _BMRB_accession_number 25346 _BMRB_flat_file_name bmr25346.str _Entry_type original _Submission_date 2014-11-14 _Accession_date 2014-11-14 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'MG200 EAGR box, one of the main components of Terminal Organelle of the Mycoplasma genitalium' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lalli Daniela . . 2 Martinelli Luca . . 3 Garcia-Morales Luis . . 4 Ratera Merce . . 5 Querol Enrique . . 6 Pinol Jaume . . 7 Fita Ignacio . . 8 Calisto Barbara M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 220 "13C chemical shifts" 317 "15N chemical shifts" 79 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-03-10 update BMRB 'update entry citation' 2014-12-16 original author 'original release' stop_ _Original_release_date 2016-03-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; A major determinant for gliding motility in Mycoplasma genitalium: the interaction between the terminal organelle proteins MG200 and MG491 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25471372 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Martinelli Luca . . 2 Lalli Daniela . . 3 Garcia-Morales Luis . . 4 Ratera Merce . . 5 Querol Enrique . . 6 Pinol Jaume . . 7 Fita Ignacio . . 8 Calisto Barbara M. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 290 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1699 _Page_last 1711 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'MG200 EAGRbox' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MG200 EAGRbox' $MG200_EAGR_box 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_MG200_EAGR_box _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MG200_EAGR_box _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'GLIDING MOTILITY of Mycoplasma genitalium' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 94 _Mol_residue_sequence ; MAKQEQPEINLDHVVEQTIK KVQQNQNQNKDPDELRSKVP GEVTASDWEALVGDTRYGYF DETGDWSWKGYFDEQGKWVW NEPVDSLEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 122 MET 2 123 ALA 3 124 LYS 4 125 GLN 5 126 GLU 6 127 GLN 7 128 PRO 8 129 GLU 9 130 ILE 10 131 ASN 11 132 LEU 12 133 ASP 13 134 HIS 14 135 VAL 15 136 VAL 16 137 GLU 17 138 GLN 18 139 THR 19 140 ILE 20 141 LYS 21 142 LYS 22 143 VAL 23 144 GLN 24 145 GLN 25 146 ASN 26 147 GLN 27 148 ASN 28 149 GLN 29 150 ASN 30 151 LYS 31 152 ASP 32 153 PRO 33 154 ASP 34 155 GLU 35 156 LEU 36 157 ARG 37 158 SER 38 159 LYS 39 160 VAL 40 161 PRO 41 162 GLY 42 163 GLU 43 164 VAL 44 165 THR 45 166 ALA 46 167 SER 47 168 ASP 48 169 TRP 49 170 GLU 50 171 ALA 51 172 LEU 52 173 VAL 53 174 GLY 54 175 ASP 55 176 THR 56 177 ARG 57 178 TYR 58 179 GLY 59 180 TYR 60 181 PHE 61 182 ASP 62 183 GLU 63 184 THR 64 185 GLY 65 186 ASP 66 187 TRP 67 188 SER 68 189 TRP 69 190 LYS 70 191 GLY 71 192 TYR 72 193 PHE 73 194 ASP 74 195 GLU 75 196 GLN 76 197 GLY 77 198 LYS 78 199 TRP 79 200 VAL 80 201 TRP 81 202 ASN 82 203 GLU 83 204 PRO 84 205 VAL 85 206 ASP 86 207 SER 87 208 LEU 88 209 GLU 89 210 HIS 90 211 HIS 91 212 HIS 92 213 HIS 93 214 HIS 94 215 HIS 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 P47442 EAGR . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MG200_EAGR_box mycoplasmas 2097 Bacteria . Mycoplasma Genitalium 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 $MG200_EAGR_box 'recombinant technology' . Escherichia coli . G37 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 $MG200_EAGR_box 1 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.0 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 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_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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' 0.12 . M pH 6.5 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl 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' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D HN(CA)CO' '3D 1H-15N NOESY' '3D 1H-13C NOESY' 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 'MG200 EAGRbox' _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 1 125 4 GLN H H 8.49 0.02 1 2 125 4 GLN HA H 4.21 0.02 1 3 125 4 GLN CA C 55.8 0.3 1 4 125 4 GLN CB C 29.4 0.3 1 5 125 4 GLN CG C 33.9 0.3 1 6 125 4 GLN N N 122.6 0.3 1 7 126 5 GLU H H 8.48 0.02 1 8 126 5 GLU HA H 4.21 0.02 1 9 126 5 GLU C C 176.1 0.3 1 10 126 5 GLU CA C 56.5 0.3 1 11 126 5 GLU CB C 30.2 0.3 1 12 126 5 GLU CG C 36.5 0.3 1 13 126 5 GLU N N 122.9 0.3 1 14 127 6 GLN H H 8.36 0.02 1 15 127 6 GLN HA H 4.57 0.02 1 16 127 6 GLN C C 173.8 0.3 1 17 127 6 GLN CA C 53.6 0.3 1 18 127 6 GLN CB C 29.3 0.3 1 19 127 6 GLN CG C 33.8 0.3 1 20 127 6 GLN N N 121.8 0.3 1 21 128 7 PRO HA H 4.30 0.02 1 22 128 7 PRO CA C 63.0 0.3 1 23 128 7 PRO CB C 32.1 0.3 1 24 128 7 PRO CG C 27.8 0.3 1 25 128 7 PRO CD C 50.9 0.3 1 26 129 8 GLU H H 8.47 0.02 1 27 129 8 GLU HA H 4.20 0.02 1 28 129 8 GLU C C 176.4 0.3 1 29 129 8 GLU CA C 56.7 0.3 1 30 129 8 GLU CB C 30.1 0.3 1 31 129 8 GLU CG C 36.5 0.3 1 32 129 8 GLU N N 121.2 0.3 1 33 130 9 ILE H H 8.05 0.02 1 34 130 9 ILE HA H 4.05 0.02 1 35 130 9 ILE HB H 1.73 0.02 1 36 130 9 ILE C C 175.5 0.3 1 37 130 9 ILE CA C 61.0 0.3 1 38 130 9 ILE CB C 38.9 0.3 1 39 130 9 ILE CG1 C 27.2 0.3 1 40 130 9 ILE CG2 C 17.4 0.3 1 41 130 9 ILE CD1 C 13.1 0.3 1 42 130 9 ILE N N 121.7 0.3 1 43 131 10 ASN H H 8.43 0.02 1 44 131 10 ASN HA H 4.62 0.02 1 45 131 10 ASN C C 175.2 0.3 1 46 131 10 ASN CA C 53.1 0.3 1 47 131 10 ASN CB C 39.0 0.3 1 48 131 10 ASN CG C 175.0 0.3 1 49 131 10 ASN N N 123.0 0.3 1 50 132 11 LEU H H 8.29 0.02 1 51 132 11 LEU HA H 4.19 0.02 1 52 132 11 LEU C C 177.2 0.3 1 53 132 11 LEU CA C 55.4 0.3 1 54 132 11 LEU CB C 42.2 0.3 1 55 132 11 LEU CG C 27.1 0.3 1 56 132 11 LEU CD1 C 25.0 0.3 1 57 132 11 LEU CD2 C 23.3 0.3 1 58 132 11 LEU N N 123.7 0.3 1 59 133 12 ASP H H 8.19 0.02 1 60 133 12 ASP HA H 4.40 0.02 1 61 133 12 ASP C C 176.2 0.3 1 62 133 12 ASP CA C 54.9 0.3 1 63 133 12 ASP CB C 40.8 0.3 1 64 133 12 ASP N N 119.8 0.3 1 65 135 14 VAL H H 7.99 0.02 1 66 135 14 VAL HA H 3.92 0.02 1 67 135 14 VAL HB H 1.95 0.02 1 68 135 14 VAL C C 176.4 0.3 1 69 135 14 VAL CA C 63.1 0.3 1 70 135 14 VAL CB C 32.4 0.3 1 71 135 14 VAL CG1 C 21.0 0.3 1 72 135 14 VAL N N 121.9 0.3 1 73 136 15 VAL H H 8.15 0.02 1 74 136 15 VAL HA H 3.94 0.02 1 75 136 15 VAL HB H 1.94 0.02 1 76 136 15 VAL C C 176.3 0.3 1 77 136 15 VAL CA C 62.8 0.3 1 78 136 15 VAL CB C 32.6 0.3 1 79 136 15 VAL CG1 C 21.0 0.3 1 80 136 15 VAL N N 124.3 0.3 1 81 137 16 GLU H H 8.38 0.02 1 82 137 16 GLU HA H 4.14 0.02 1 83 137 16 GLU HB2 H 1.84 0.02 2 84 137 16 GLU HB3 H 1.90 0.02 2 85 137 16 GLU C C 176.6 0.3 1 86 137 16 GLU CA C 57.0 0.3 1 87 137 16 GLU CB C 30.2 0.3 1 88 137 16 GLU CG C 36.3 0.3 1 89 137 16 GLU N N 124.7 0.3 1 90 138 17 GLN H H 8.35 0.02 1 91 138 17 GLN HA H 4.21 0.02 1 92 138 17 GLN C C 176.3 0.3 1 93 138 17 GLN CA C 56.1 0.3 1 94 138 17 GLN CB C 29.5 0.3 1 95 138 17 GLN CG C 33.4 0.3 1 96 138 17 GLN CD C 180.4 0.3 1 97 138 17 GLN N N 121.3 0.3 1 98 139 18 THR H H 8.13 0.02 1 99 139 18 THR HA H 4.16 0.02 1 100 139 18 THR HB H 4.08 0.02 1 101 139 18 THR C C 174.6 0.3 1 102 139 18 THR CA C 62.6 0.3 1 103 139 18 THR CB C 69.8 0.3 1 104 139 18 THR CG2 C 21.4 0.3 1 105 139 18 THR N N 115.9 0.3 1 106 140 19 ILE H H 8.07 0.02 1 107 140 19 ILE HA H 4.01 0.02 1 108 140 19 ILE HB H 1.75 0.02 1 109 140 19 ILE C C 176.2 0.3 1 110 140 19 ILE CA C 61.5 0.3 1 111 140 19 ILE CB C 38.5 0.3 1 112 140 19 ILE CG1 C 27.4 0.3 1 113 140 19 ILE CG2 C 17.4 0.3 1 114 140 19 ILE CD1 C 13.0 0.3 1 115 140 19 ILE N N 123.4 0.3 1 116 141 20 LYS H H 8.23 0.02 1 117 141 20 LYS HA H 4.19 0.02 1 118 141 20 LYS C C 176.4 0.3 1 119 141 20 LYS CA C 56.4 0.3 1 120 141 20 LYS CB C 33.0 0.3 1 121 141 20 LYS CG C 24.9 0.3 1 122 141 20 LYS CD C 29.2 0.3 1 123 141 20 LYS CE C 42.2 0.3 1 124 141 20 LYS N N 125.4 0.3 1 125 142 21 LYS H H 8.20 0.02 1 126 142 21 LYS HA H 4.19 0.02 1 127 142 21 LYS C C 176.6 0.3 1 128 142 21 LYS CA C 56.5 0.3 1 129 142 21 LYS CB C 33.0 0.3 1 130 142 21 LYS CG C 24.9 0.3 1 131 142 21 LYS CD C 29.3 0.3 1 132 142 21 LYS CE C 42.4 0.3 1 133 142 21 LYS N N 123.2 0.3 1 134 143 22 VAL H H 8.10 0.02 1 135 143 22 VAL HA H 3.93 0.02 1 136 143 22 VAL HB H 1.90 0.02 1 137 143 22 VAL C C 176.3 0.3 1 138 143 22 VAL CA C 62.8 0.3 1 139 143 22 VAL CB C 32.8 0.3 1 140 143 22 VAL CG1 C 21.0 0.3 1 141 143 22 VAL N N 121.8 0.3 1 142 144 23 GLN H H 8.38 0.02 1 143 144 23 GLN HA H 4.68 0.02 1 144 144 23 GLN C C 176.0 0.3 1 145 144 23 GLN CA C 55.9 0.3 1 146 144 23 GLN CB C 29.9 0.3 1 147 144 23 GLN CG C 33.7 0.3 1 148 144 23 GLN N N 124.1 0.3 1 149 145 24 GLN H H 8.38 0.02 1 150 145 24 GLN HA H 4.68 0.02 1 151 145 24 GLN C C 175.8 0.3 1 152 145 24 GLN CA C 56.1 0.3 1 153 145 24 GLN CB C 29.2 0.3 1 154 145 24 GLN CG C 34.5 0.3 1 155 145 24 GLN N N 121.9 0.3 1 156 146 25 ASN H H 8.44 0.02 1 157 146 25 ASN HA H 4.57 0.02 1 158 146 25 ASN C C 175.4 0.3 1 159 146 25 ASN CA C 53.5 0.3 1 160 146 25 ASN CB C 38.7 0.3 1 161 146 25 ASN CG C 178.5 0.3 1 162 146 25 ASN N N 119.6 0.3 1 163 147 26 GLN H H 8.38 0.02 1 164 147 26 GLN HA H 4.20 0.02 1 165 147 26 GLN C C 175.9 0.3 1 166 147 26 GLN CA C 56.4 0.3 1 167 147 26 GLN CB C 29.2 0.3 1 168 147 26 GLN CG C 34.0 0.3 1 169 147 26 GLN N N 120.6 0.3 1 170 148 27 ASN H H 8.39 0.02 1 171 148 27 ASN HA H 4.57 0.02 1 172 148 27 ASN C C 175.2 0.3 1 173 148 27 ASN CA C 53.4 0.3 1 174 148 27 ASN CB C 38.8 0.3 1 175 148 27 ASN CG C 178.5 0.3 1 176 148 27 ASN N N 119.2 0.3 1 177 149 28 GLN H H 8.26 0.02 1 178 149 28 GLN HA H 4.21 0.02 1 179 149 28 GLN C C 175.7 0.3 1 180 149 28 GLN CA C 56.1 0.3 1 181 149 28 GLN CB C 29.3 0.3 1 182 149 28 GLN CG C 34.1 0.3 1 183 149 28 GLN N N 120.3 0.3 1 184 150 29 ASN H H 8.36 0.02 1 185 150 29 ASN HA H 4.62 0.02 1 186 150 29 ASN C C 175.1 0.3 1 187 150 29 ASN CA C 53.3 0.3 1 188 150 29 ASN CB C 38.9 0.3 1 189 150 29 ASN N N 119.5 0.3 1 190 151 30 LYS H H 8.17 0.02 1 191 151 30 LYS HA H 4.19 0.02 1 192 151 30 LYS C C 175.8 0.3 1 193 151 30 LYS CA C 56.0 0.3 1 194 151 30 LYS CB C 33.3 0.3 1 195 151 30 LYS CG C 25.0 0.3 1 196 151 30 LYS CD C 29.2 0.3 1 197 151 30 LYS CE C 42.5 0.3 1 198 151 30 LYS N N 121.5 0.3 1 199 152 31 ASP H H 8.39 0.02 1 200 152 31 ASP HA H 4.53 0.02 1 201 152 31 ASP HB2 H 2.64 0.02 2 202 152 31 ASP HB3 H 2.46 0.02 2 203 152 31 ASP C C 175.0 0.3 1 204 152 31 ASP CA C 52.7 0.3 1 205 152 31 ASP CB C 41.1 0.3 1 206 152 31 ASP N N 123.1 0.3 1 207 153 32 PRO HA H 4.27 0.02 1 208 153 32 PRO CA C 64.1 0.3 1 209 153 32 PRO CB C 32.3 0.3 1 210 153 32 PRO CG C 27.1 0.3 1 211 153 32 PRO CD C 51.0 0.3 1 212 154 33 ASP H H 8.37 0.02 1 213 154 33 ASP HA H 4.51 0.02 1 214 154 33 ASP C C 176.5 0.3 1 215 154 33 ASP CA C 55.1 0.3 1 216 154 33 ASP CB C 41.1 0.3 1 217 154 33 ASP N N 118.8 0.3 1 218 155 34 GLU H H 7.98 0.02 1 219 155 34 GLU HA H 4.22 0.02 1 220 155 34 GLU C C 176.0 0.3 1 221 155 34 GLU CA C 56.5 0.3 1 222 155 34 GLU CB C 30.8 0.3 1 223 155 34 GLU CG C 36.4 0.3 1 224 155 34 GLU N N 120.2 0.3 1 225 156 35 LEU H H 7.99 0.02 1 226 156 35 LEU HA H 4.19 0.02 1 227 156 35 LEU C C 176.1 0.3 1 228 156 35 LEU CA C 55.8 0.3 1 229 156 35 LEU CB C 42.1 0.3 1 230 156 35 LEU CG C 27.2 0.3 1 231 156 35 LEU CD1 C 23.4 0.3 1 232 156 35 LEU CD2 C 24.3 0.3 1 233 156 35 LEU N N 123.9 0.3 1 234 157 36 ARG H H 8.03 0.02 1 235 157 36 ARG HA H 4.84 0.02 1 236 157 36 ARG CA C 54.8 0.3 1 237 157 36 ARG CB C 33.0 0.3 1 238 157 36 ARG CG C 27.3 0.3 1 239 157 36 ARG CD C 43.6 0.3 1 240 157 36 ARG N N 122.6 0.3 1 241 158 37 SER H H 8.67 0.02 1 242 158 37 SER HA H 3.80 0.02 1 243 158 37 SER HB2 H 3.97 0.02 2 244 158 37 SER HB3 H 3.33 0.02 2 245 158 37 SER CA C 58.6 0.3 1 246 158 37 SER CB C 63.6 0.3 1 247 158 37 SER N N 117.0 0.3 1 248 159 38 LYS H H 8.61 0.02 1 249 159 38 LYS HA H 3.98 0.02 1 250 159 38 LYS C C 177.2 0.3 1 251 159 38 LYS CA C 58.2 0.3 1 252 159 38 LYS CB C 32.7 0.3 1 253 159 38 LYS CG C 25.2 0.3 1 254 159 38 LYS CD C 29.1 0.3 1 255 159 38 LYS CE C 42.4 0.3 1 256 159 38 LYS N N 123.8 0.3 1 257 160 39 VAL H H 8.43 0.02 1 258 160 39 VAL HA H 4.27 0.02 1 259 160 39 VAL HB H 1.91 0.02 1 260 160 39 VAL C C 174.7 0.3 1 261 160 39 VAL CA C 59.3 0.3 1 262 160 39 VAL CG1 C 21.2 0.3 1 263 160 39 VAL N N 121.0 0.3 1 264 161 40 PRO HA H 4.20 0.02 1 265 161 40 PRO CA C 63.9 0.3 1 266 161 40 PRO CB C 31.7 0.3 1 267 161 40 PRO CG C 27.4 0.3 1 268 161 40 PRO CD C 51.2 0.3 1 269 162 41 GLY H H 7.98 0.02 1 270 162 41 GLY HA2 H 3.94 0.02 2 271 162 41 GLY HA3 H 3.61 0.02 2 272 162 41 GLY C C 173.3 0.3 1 273 162 41 GLY CA C 45.5 0.3 1 274 162 41 GLY N N 109.9 0.3 1 275 163 42 GLU H H 7.72 0.02 1 276 163 42 GLU HA H 4.39 0.02 1 277 163 42 GLU C C 174.7 0.3 1 278 163 42 GLU CA C 55.5 0.3 1 279 163 42 GLU CB C 31.1 0.3 1 280 163 42 GLU CG C 36.2 0.3 1 281 163 42 GLU N N 120.5 0.3 1 282 164 43 VAL H H 8.23 0.02 1 283 164 43 VAL HA H 4.36 0.02 1 284 164 43 VAL HB H 1.79 0.02 1 285 164 43 VAL CA C 62.3 0.3 1 286 164 43 VAL CB C 32.7 0.3 1 287 164 43 VAL CG1 C 21.6 0.3 1 288 164 43 VAL CG2 C 21.5 0.3 1 289 164 43 VAL N N 123.7 0.3 1 290 165 44 THR H H 8.93 0.02 1 291 165 44 THR HA H 4.67 0.02 1 292 165 44 THR HB H 4.36 0.02 1 293 165 44 THR C C 175.3 0.3 1 294 165 44 THR CA C 60.3 0.3 1 295 165 44 THR CB C 72.1 0.3 1 296 165 44 THR CG2 C 21.4 0.3 1 297 165 44 THR N N 119.2 0.3 1 298 166 45 ALA H H 8.58 0.02 1 299 166 45 ALA HA H 3.89 0.02 1 300 166 45 ALA HB H 1.31 0.02 1 301 166 45 ALA C C 179.8 0.3 1 302 166 45 ALA CA C 55.1 0.3 1 303 166 45 ALA CB C 18.3 0.3 1 304 166 45 ALA N N 123.7 0.3 1 305 167 46 SER H H 8.06 0.02 1 306 167 46 SER HA H 4.11 0.02 1 307 167 46 SER CA C 60.8 0.3 1 308 167 46 SER CB C 62.8 0.3 1 309 167 46 SER N N 111.8 0.3 1 310 168 47 ASP H H 7.70 0.02 1 311 168 47 ASP HA H 4.26 0.02 1 312 168 47 ASP HB2 H 1.95 0.02 2 313 168 47 ASP HB3 H 2.37 0.02 2 314 168 47 ASP C C 176.8 0.3 1 315 168 47 ASP CA C 56.8 0.3 1 316 168 47 ASP CB C 41.1 0.3 1 317 168 47 ASP N N 121.8 0.3 1 318 169 48 TRP H H 7.03 0.02 1 319 169 48 TRP HA H 4.19 0.02 1 320 169 48 TRP HB2 H 3.19 0.02 2 321 169 48 TRP HB3 H 3.23 0.02 2 322 169 48 TRP C C 178.8 0.3 1 323 169 48 TRP CA C 59.4 0.3 1 324 169 48 TRP CB C 29.5 0.3 1 325 169 48 TRP N N 117.2 0.3 1 326 170 49 GLU H H 8.30 0.02 1 327 170 49 GLU HA H 3.86 0.02 1 328 170 49 GLU C C 178.8 0.3 1 329 170 49 GLU CA C 59.6 0.3 1 330 170 49 GLU CB C 29.6 0.3 1 331 170 49 GLU CG C 36.2 0.3 1 332 170 49 GLU N N 118.1 0.3 1 333 171 50 ALA H H 7.36 0.02 1 334 171 50 ALA HA H 4.05 0.02 1 335 171 50 ALA HB H 1.33 0.02 1 336 171 50 ALA C C 178.0 0.3 1 337 171 50 ALA CA C 53.8 0.3 1 338 171 50 ALA CB C 18.8 0.3 1 339 171 50 ALA N N 118.2 0.3 1 340 172 51 LEU H H 7.73 0.02 1 341 172 51 LEU HA H 4.16 0.02 1 342 172 51 LEU C C 177.0 0.3 1 343 172 51 LEU CA C 54.4 0.3 1 344 172 51 LEU CB C 42.4 0.3 1 345 172 51 LEU CG C 25.5 0.3 1 346 172 51 LEU CD1 C 20.7 0.3 1 347 172 51 LEU N N 115.4 0.3 1 348 173 52 VAL H H 6.93 0.02 1 349 173 52 VAL HB H 1.61 0.02 1 350 173 52 VAL C C 177.4 0.3 1 351 173 52 VAL CA C 65.5 0.3 1 352 173 52 VAL CB C 30.5 0.3 1 353 173 52 VAL CG1 C 22.5 0.3 1 354 173 52 VAL CG2 C 19.9 0.3 1 355 173 52 VAL N N 118.8 0.3 1 356 174 53 GLY H H 7.83 0.02 1 357 174 53 GLY HA2 H 4.01 0.02 2 358 174 53 GLY HA3 H 2.67 0.02 2 359 174 53 GLY CA C 45.2 0.3 1 360 175 54 ASP H H 7.84 0.02 1 361 175 54 ASP HA H 4.82 0.02 1 362 175 54 ASP HB2 H 2.41 0.02 2 363 175 54 ASP HB3 H 3.69 0.02 2 364 175 54 ASP C C 177.5 0.3 1 365 175 54 ASP CA C 53.4 0.3 1 366 175 54 ASP CB C 41.4 0.3 1 367 175 54 ASP N N 122.0 0.3 1 368 176 55 THR H H 8.47 0.02 1 369 176 55 THR HA H 4.88 0.02 1 370 176 55 THR HB H 4.74 0.02 1 371 176 55 THR C C 175.8 0.3 1 372 176 55 THR CA C 63.6 0.3 1 373 176 55 THR CB C 68.6 0.3 1 374 176 55 THR CG2 C 22.4 0.3 1 375 176 55 THR N N 117.6 0.3 1 376 177 56 ARG H H 8.49 0.02 1 377 177 56 ARG HA H 4.03 0.02 1 378 177 56 ARG HB2 H 1.26 0.02 2 379 177 56 ARG HB3 H 1.06 0.02 2 380 177 56 ARG C C 178.2 0.3 1 381 177 56 ARG CA C 59.1 0.3 1 382 177 56 ARG CB C 30.2 0.3 1 383 177 56 ARG CG C 26.7 0.3 1 384 177 56 ARG CD C 43.8 0.3 1 385 177 56 ARG N N 120.9 0.3 1 386 178 57 TYR H H 8.14 0.02 1 387 178 57 TYR HA H 4.78 0.02 1 388 178 57 TYR HB2 H 2.87 0.02 2 389 178 57 TYR HB3 H 3.51 0.02 2 390 178 57 TYR C C 175.7 0.3 1 391 178 57 TYR CA C 59.4 0.3 1 392 178 57 TYR CB C 41.0 0.3 1 393 178 57 TYR N N 112.7 0.3 1 394 179 58 GLY H H 7.61 0.02 1 395 179 58 GLY HA2 H 3.81 0.02 2 396 179 58 GLY HA3 H 3.26 0.02 2 397 179 58 GLY C C 169.0 0.3 1 398 179 58 GLY CA C 47.2 0.3 1 399 179 58 GLY N N 108.2 0.3 1 400 180 59 TYR H H 6.83 0.02 1 401 180 59 TYR HA H 4.08 0.02 1 402 180 59 TYR C C 172.6 0.3 1 403 180 59 TYR CA C 55.9 0.3 1 404 180 59 TYR CB C 39.4 0.3 1 405 180 59 TYR N N 113.4 0.3 1 406 181 60 PHE H H 8.58 0.02 1 407 181 60 PHE HA H 4.86 0.02 1 408 181 60 PHE C C 176.7 0.3 1 409 181 60 PHE CA C 58.5 0.3 1 410 181 60 PHE CB C 40.4 0.3 1 411 181 60 PHE N N 118.0 0.3 1 412 182 61 ASP H H 8.66 0.02 1 413 182 61 ASP HA H 4.65 0.02 1 414 182 61 ASP HB2 H 2.54 0.02 2 415 182 61 ASP HB3 H 3.29 0.02 2 416 182 61 ASP C C 178.1 0.3 1 417 182 61 ASP CA C 52.5 0.3 1 418 182 61 ASP CB C 41.4 0.3 1 419 182 61 ASP N N 124.4 0.3 1 420 183 62 GLU H H 9.06 0.02 1 421 183 62 GLU HA H 4.08 0.02 1 422 183 62 GLU C C 177.7 0.3 1 423 183 62 GLU CA C 59.4 0.3 1 424 183 62 GLU CB C 29.1 0.3 1 425 183 62 GLU CG C 36.4 0.3 1 426 183 62 GLU N N 117.9 0.3 1 427 184 63 THR H H 8.27 0.02 1 428 184 63 THR HA H 4.35 0.02 1 429 184 63 THR HB H 4.35 0.02 1 430 184 63 THR C C 175.3 0.3 1 431 184 63 THR CA C 62.1 0.3 1 432 184 63 THR CB C 69.7 0.3 1 433 184 63 THR CG2 C 22.3 0.3 1 434 184 63 THR N N 110.8 0.3 1 435 185 64 GLY H H 8.14 0.02 1 436 185 64 GLY HA2 H 4.27 0.02 2 437 185 64 GLY HA3 H 3.52 0.02 2 438 185 64 GLY C C 173.7 0.3 1 439 185 64 GLY CA C 45.1 0.3 1 440 185 64 GLY N N 110.1 0.3 1 441 186 65 ASP H H 7.98 0.02 1 442 186 65 ASP HA H 4.83 0.02 1 443 186 65 ASP C C 175.5 0.3 1 444 186 65 ASP CA C 53.9 0.3 1 445 186 65 ASP CB C 41.8 0.3 1 446 186 65 ASP N N 122.0 0.3 1 447 187 66 TRP H H 8.68 0.02 1 448 187 66 TRP HA H 4.14 0.02 1 449 187 66 TRP HB2 H 2.64 0.02 2 450 187 66 TRP HB3 H 2.57 0.02 2 451 187 66 TRP HE3 H 7.29 0.02 1 452 187 66 TRP C C 174.7 0.3 1 453 187 66 TRP CA C 57.1 0.3 1 454 187 66 TRP CB C 29.5 0.3 1 455 187 66 TRP N N 124.4 0.3 1 456 188 67 SER H H 7.82 0.02 1 457 188 67 SER HA H 4.11 0.02 1 458 188 67 SER HB2 H 2.92 0.02 2 459 188 67 SER HB3 H 2.38 0.02 2 460 188 67 SER C C 171.6 0.3 1 461 188 67 SER CA C 56.6 0.3 1 462 188 67 SER CB C 64.9 0.3 1 463 188 67 SER N N 125.1 0.3 1 464 189 68 TRP H H 8.13 0.02 1 465 189 68 TRP HA H 4.88 0.02 1 466 189 68 TRP HB2 H 3.30 0.02 2 467 189 68 TRP HB3 H 4.02 0.02 2 468 189 68 TRP C C 178.3 0.3 1 469 189 68 TRP CA C 57.1 0.3 1 470 189 68 TRP CB C 33.1 0.3 1 471 189 68 TRP N N 120.7 0.3 1 472 190 69 LYS H H 9.34 0.02 1 473 190 69 LYS HA H 4.75 0.02 1 474 190 69 LYS C C 175.8 0.3 1 475 190 69 LYS CA C 56.7 0.3 1 476 190 69 LYS CB C 33.5 0.3 1 477 190 69 LYS CG C 26.9 0.3 1 478 190 69 LYS CD C 30.0 0.3 1 479 190 69 LYS CE C 42.1 0.3 1 480 190 69 LYS N N 120.2 0.3 1 481 191 70 GLY H H 7.64 0.02 1 482 191 70 GLY HA2 H 3.71 0.02 2 483 191 70 GLY HA3 H 3.38 0.02 2 484 191 70 GLY C C 169.8 0.3 1 485 191 70 GLY CA C 46.1 0.3 1 486 191 70 GLY N N 109.9 0.3 1 487 192 71 TYR H H 7.15 0.02 1 488 192 71 TYR HA H 3.95 0.02 1 489 192 71 TYR C C 171.5 0.3 1 490 192 71 TYR CA C 55.3 0.3 1 491 192 71 TYR CB C 39.2 0.3 1 492 192 71 TYR N N 115.1 0.3 1 493 193 72 PHE H H 6.58 0.02 1 494 193 72 PHE HA H 4.57 0.02 1 495 193 72 PHE CA C 57.7 0.3 1 496 193 72 PHE CB C 41.6 0.3 1 497 193 72 PHE N N 114.8 0.3 1 498 194 73 ASP H H 9.03 0.02 1 499 194 73 ASP HA H 4.52 0.02 1 500 194 73 ASP HB2 H 2.51 0.02 2 501 194 73 ASP HB3 H 3.26 0.02 2 502 194 73 ASP C C 177.9 0.3 1 503 194 73 ASP CA C 52.5 0.3 1 504 194 73 ASP CB C 40.7 0.3 1 505 194 73 ASP N N 125.1 0.3 1 506 195 74 GLU H H 8.76 0.02 1 507 195 74 GLU HA H 4.02 0.02 1 508 195 74 GLU C C 177.7 0.3 1 509 195 74 GLU CA C 59.3 0.3 1 510 195 74 GLU CB C 29.0 0.3 1 511 195 74 GLU CG C 36.5 0.3 1 512 195 74 GLU N N 116.4 0.3 1 513 196 75 GLN H H 8.05 0.02 1 514 196 75 GLN HA H 4.21 0.02 1 515 196 75 GLN C C 176.7 0.3 1 516 196 75 GLN CA C 55.8 0.3 1 517 196 75 GLN CB C 29.3 0.3 1 518 196 75 GLN CG C 33.5 0.3 1 519 196 75 GLN N N 116.6 0.3 1 520 197 76 GLY H H 8.29 0.02 1 521 197 76 GLY HA2 H 3.31 0.02 2 522 197 76 GLY HA3 H 4.20 0.02 2 523 197 76 GLY C C 173.2 0.3 1 524 197 76 GLY CA C 45.5 0.3 1 525 197 76 GLY N N 109.7 0.3 1 526 198 77 LYS H H 8.49 0.02 1 527 198 77 LYS HA H 4.46 0.02 1 528 198 77 LYS CA C 55.2 0.3 1 529 198 77 LYS CB C 33.2 0.3 1 530 198 77 LYS CG C 24.9 0.3 1 531 198 77 LYS CD C 28.9 0.3 1 532 198 77 LYS N N 122.4 0.3 1 533 199 78 TRP H H 8.13 0.02 1 534 199 78 TRP HA H 3.79 0.02 1 535 199 78 TRP HB2 H 2.53 0.02 2 536 199 78 TRP HB3 H 2.15 0.02 2 537 199 78 TRP C C 174.5 0.3 1 538 199 78 TRP CA C 57.5 0.3 1 539 199 78 TRP CB C 29.3 0.3 1 540 199 78 TRP N N 124.3 0.3 1 541 200 79 VAL H H 7.86 0.02 1 542 200 79 VAL HA H 3.46 0.02 1 543 200 79 VAL HB H 0.47 0.02 1 544 200 79 VAL C C 173.5 0.3 1 545 200 79 VAL CA C 60.3 0.3 1 546 200 79 VAL CB C 33.6 0.3 1 547 200 79 VAL CG1 C 20.9 0.3 1 548 200 79 VAL CG2 C 21.0 0.3 1 549 200 79 VAL N N 130.7 0.3 1 550 201 80 TRP H H 7.63 0.02 1 551 201 80 TRP HA H 4.36 0.02 1 552 201 80 TRP HB2 H 3.35 0.02 2 553 201 80 TRP HB3 H 2.88 0.02 2 554 201 80 TRP C C 177.2 0.3 1 555 201 80 TRP CA C 56.8 0.3 1 556 201 80 TRP CB C 30.2 0.3 1 557 201 80 TRP N N 122.0 0.3 1 558 202 81 ASN H H 8.70 0.02 1 559 202 81 ASN HA H 4.56 0.02 1 560 202 81 ASN HB3 H 2.64 0.02 1 561 202 81 ASN C C 175.8 0.3 1 562 202 81 ASN CA C 53.9 0.3 1 563 202 81 ASN CB C 38.6 0.3 1 564 202 81 ASN CG C 179.6 0.3 1 565 202 81 ASN N N 121.5 0.3 1 566 203 82 GLU H H 8.48 0.02 1 567 203 82 GLU HA H 4.58 0.02 1 568 203 82 GLU C C 174.3 0.3 1 569 203 82 GLU CA C 54.2 0.3 1 570 203 82 GLU CB C 29.7 0.3 1 571 203 82 GLU CG C 36.2 0.3 1 572 203 82 GLU N N 121.3 0.3 1 573 204 83 PRO HA H 4.33 0.02 1 574 204 83 PRO HD3 H 3.57 0.02 1 575 204 83 PRO CA C 63.3 0.3 1 576 204 83 PRO CB C 32.1 0.3 1 577 204 83 PRO CG C 27.4 0.3 1 578 204 83 PRO CD C 50.7 0.3 1 579 205 84 VAL H H 8.10 0.02 1 580 205 84 VAL HA H 3.91 0.02 1 581 205 84 VAL HB H 1.79 0.02 1 582 205 84 VAL C C 176.1 0.3 1 583 205 84 VAL CA C 62.7 0.3 1 584 205 84 VAL CB C 32.7 0.3 1 585 205 84 VAL CG2 C 20.8 0.3 1 586 205 84 VAL N N 119.6 0.3 1 587 206 85 ASP H H 8.23 0.02 1 588 206 85 ASP HA H 4.50 0.02 1 589 206 85 ASP C C 176.3 0.3 1 590 206 85 ASP CA C 54.4 0.3 1 591 206 85 ASP CB C 41.2 0.3 1 592 206 85 ASP N N 122.5 0.3 1 593 207 86 SER H H 8.02 0.02 1 594 207 86 SER HA H 4.22 0.02 1 595 207 86 SER HB2 H 3.81 0.02 2 596 207 86 SER HB3 H 3.70 0.02 2 597 207 86 SER C C 175.0 0.3 1 598 207 86 SER CA C 58.6 0.3 1 599 207 86 SER CB C 63.9 0.3 1 600 207 86 SER N N 115.7 0.3 1 601 208 87 LEU H H 8.15 0.02 1 602 208 87 LEU HA H 4.11 0.02 1 603 208 87 LEU C C 177.7 0.3 1 604 208 87 LEU CA C 55.8 0.3 1 605 208 87 LEU CB C 42.1 0.3 1 606 208 87 LEU CG C 26.7 0.3 1 607 208 87 LEU CD1 C 24.0 0.3 1 608 208 87 LEU CD2 C 23.1 0.3 1 609 208 87 LEU N N 123.3 0.3 1 610 209 88 GLU H H 8.05 0.02 1 611 209 88 GLU HA H 4.00 0.02 1 612 209 88 GLU C C 176.4 0.3 1 613 209 88 GLU CA C 56.9 0.3 1 614 209 88 GLU CB C 29.9 0.3 1 615 209 88 GLU CG C 36.1 0.3 1 616 209 88 GLU N N 119.5 0.3 1 stop_ save_