data_5984 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H and 15N chemical shift assignments for FtsN 243-319 ; _BMRB_accession_number 5984 _BMRB_flat_file_name bmr5984.str _Entry_type original _Submission_date 2003-10-27 _Accession_date 2003-10-27 _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 Yang Ji-Chun . . 2 'van den Ent' Fusinita . . 3 Neuhaus David . . 4 Brevier Julian . . 5 Lowe Jan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 423 "15N chemical shifts" 76 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-05-15 original author . stop_ _Original_release_date 2004-05-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure and Domain Architecture of the Divisome Protein FtsN' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15101973 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yang Ji-Chun . . 2 'van den Ent' Fusinita . . 3 Neuhaus David . . 4 Brevier Julian . . 5 Lowe Jan . . stop_ _Journal_abbreviation 'Mol. Microbiol.' _Journal_volume 52 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 651 _Page_last 660 _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_FtsN_RNP_domain _Saveframe_category molecular_system _Mol_system_name 'FtsN RNP domain' _Abbreviation_common 'FtsN RNP domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'FtsN RNP domain' $FtsN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_FtsN _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FtsN _Abbreviation_common FtsN _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 77 _Mol_residue_sequence ; KDERRWMVQCGSFRGAEQAE TVRAQLAFEGFDSKITTNNG WNRVVIGPVKGKENADSTLN RLKMAGHTNCIRLAAGG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 243 LYS 2 244 ASP 3 245 GLU 4 246 ARG 5 247 ARG 6 248 TRP 7 249 MET 8 250 VAL 9 251 GLN 10 252 CYS 11 253 GLY 12 254 SER 13 255 PHE 14 256 ARG 15 257 GLY 16 258 ALA 17 259 GLU 18 260 GLN 19 261 ALA 20 262 GLU 21 263 THR 22 264 VAL 23 265 ARG 24 266 ALA 25 267 GLN 26 268 LEU 27 269 ALA 28 270 PHE 29 271 GLU 30 272 GLY 31 273 PHE 32 274 ASP 33 275 SER 34 276 LYS 35 277 ILE 36 278 THR 37 279 THR 38 280 ASN 39 281 ASN 40 282 GLY 41 283 TRP 42 284 ASN 43 285 ARG 44 286 VAL 45 287 VAL 46 288 ILE 47 289 GLY 48 290 PRO 49 291 VAL 50 292 LYS 51 293 GLY 52 294 LYS 53 295 GLU 54 296 ASN 55 297 ALA 56 298 ASP 57 299 SER 58 300 THR 59 301 LEU 60 302 ASN 61 303 ARG 62 304 LEU 63 305 LYS 64 306 MET 65 307 ALA 66 308 GLY 67 309 HIS 68 310 THR 69 311 ASN 70 312 CYS 71 313 ILE 72 314 ARG 73 315 LEU 74 316 ALA 75 317 ALA 76 318 GLY 77 319 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1UTA "Solution Structure Of The C-Terminal Rnp Domain From The Divisome Protein Ftsn" 100.00 81 100.00 100.00 9.04e-49 DBJ BAB38283 "essential cell division protein [Escherichia coli O157:H7 str. Sakai]" 100.00 319 100.00 100.00 1.05e-49 DBJ BAE77377 "essential cell division protein [Escherichia coli str. K-12 substr. W3110]" 100.00 319 100.00 100.00 1.01e-49 DBJ BAG79746 "cell division protein [Escherichia coli SE11]" 100.00 319 100.00 100.00 1.09e-49 DBJ BAI27817 "essential cell division protein FtsN [Escherichia coli O26:H11 str. 11368]" 100.00 319 100.00 100.00 1.09e-49 DBJ BAI33291 "essential cell division protein FtsN [Escherichia coli O103:H2 str. 12009]" 100.00 319 98.70 100.00 5.19e-49 EMBL CAP78390 "Cell division protein ftsN [Escherichia coli LF82]" 100.00 319 100.00 100.00 1.38e-49 EMBL CAQ34284 "essential cell division protein FtsN [Escherichia coli BL21(DE3)]" 100.00 319 100.00 100.00 1.01e-49 EMBL CAR00909 "essential cell division protein [Escherichia coli IAI1]" 100.00 319 100.00 100.00 1.09e-49 EMBL CAR05563 "essential cell division protein [Escherichia coli S88]" 100.00 319 100.00 100.00 1.09e-49 EMBL CAR10743 "essential cell division protein [Escherichia coli ED1a]" 100.00 319 100.00 100.00 1.19e-49 GB AAA23814 "cell division protein [Escherichia coli]" 100.00 319 100.00 100.00 1.05e-49 GB AAB03065 "suppressor protein [Escherichia coli str. K-12 substr. MG1655]" 100.00 319 100.00 100.00 1.01e-49 GB AAC76915 "essential cell division protein [Escherichia coli str. K-12 substr. MG1655]" 100.00 319 100.00 100.00 1.01e-49 GB AAG59128 "essential cell division protein [Escherichia coli O157:H7 str. EDL933]" 100.00 319 100.00 100.00 1.05e-49 GB AAN45444 "essential cell division protein [Shigella flexneri 2a str. 301]" 100.00 319 100.00 100.00 1.09e-49 REF NP_290564 "cell division protein FtsN [Escherichia coli O157:H7 str. EDL933]" 100.00 319 100.00 100.00 1.05e-49 REF NP_312887 "cell division protein FtsN [Escherichia coli O157:H7 str. Sakai]" 100.00 319 100.00 100.00 1.05e-49 REF NP_418368 "essential cell division protein [Escherichia coli str. K-12 substr. MG1655]" 100.00 319 100.00 100.00 1.01e-49 REF NP_709737 "essential cell division protein FtsN [Shigella flexneri 2a str. 301]" 100.00 319 100.00 100.00 1.09e-49 REF NP_756740 "essential cell division protein FtsN [Escherichia coli CFT073]" 100.00 319 100.00 100.00 1.38e-49 SP P29131 "RecName: Full=Cell division protein FtsN [Escherichia coli K-12]" 100.00 319 100.00 100.00 1.01e-49 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $FtsN 'Escherichia coli' 562 Eubacteria . Escherichia coli K12 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 $FtsN 'recombinant technology' . . . . . 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 $FtsN . mM 0.01 0.03 '[U-98% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_xwin-nmr _Saveframe_category software _Name xwin-nmr _Version 3.0 loop_ _Task 'data acquisition' processing stop_ _Details . save_ save_Sparky _Saveframe_category software _Name Sparky _Version 3.106 loop_ _Task 'data acquisition' processing stop_ _Details ; Goddard, T.D., and Kneller, D.G. SPARKY 3. San Fransisco: Univeristy of California ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_(1H,_1H)_NOESY,_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (1H, 1H) NOESY,' _Sample_label . save_ save_2D_(1H,_1H)_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (1H, 1H) TOCSY' _Sample_label . save_ save_2D_(1H,_1H)_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (1H, 1H) DQF-COSY' _Sample_label . save_ save_2D_15N-HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N-HSQC' _Sample_label . save_ save_3D_15N_NOESY-HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N NOESY-HSQC' _Sample_label . save_ save_3D_15N_TOCSY-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N TOCSY-HSQC' _Sample_label . save_ save_3D_15N-HSQC-NOESY-HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-HSQC-NOESY-HSQC' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (1H, 1H) NOESY,' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (1H, 1H) TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (1H, 1H) DQF-COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N TOCSY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-HSQC-NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.2 n/a temperature 300 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'FtsN RNP domain' _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 1 243 1 LYS HA H 4.41 0.01 1 2 244 2 ASP H H 8.47 0.01 1 3 244 2 ASP HA H 4.72 0.01 1 4 244 2 ASP HB2 H 2.83 0.01 2 5 244 2 ASP HB3 H 2.93 0.01 2 6 244 2 ASP N N 121.8 0.1 1 7 245 3 GLU H H 8.63 0.01 1 8 245 3 GLU HA H 4.44 0.01 1 9 245 3 GLU HB2 H 1.90 0.01 1 10 245 3 GLU HB3 H 1.90 0.01 1 11 245 3 GLU HG2 H 2.22 0.01 2 12 245 3 GLU HG3 H 2.35 0.01 2 13 245 3 GLU N N 123.3 0.1 1 14 246 4 ARG H H 8.17 0.01 1 15 246 4 ARG HA H 4.15 0.01 1 16 246 4 ARG HB2 H 1.77 0.01 1 17 246 4 ARG HB3 H 1.77 0.01 1 18 246 4 ARG HG2 H 1.52 0.01 1 19 246 4 ARG HG3 H 1.52 0.01 1 20 246 4 ARG HD2 H 2.98 0.01 1 21 246 4 ARG HD3 H 2.98 0.01 1 22 246 4 ARG N N 121.5 0.1 1 23 247 5 ARG H H 8.21 0.01 1 24 247 5 ARG HA H 5.00 0.01 1 25 247 5 ARG HB2 H 1.68 0.01 1 26 247 5 ARG HB3 H 1.68 0.01 1 27 247 5 ARG HG2 H 1.51 0.01 1 28 247 5 ARG HG3 H 1.51 0.01 1 29 247 5 ARG HD2 H 3.09 0.01 2 30 247 5 ARG HD3 H 3.16 0.01 2 31 247 5 ARG N N 119.8 0.1 1 32 248 6 TRP H H 8.94 0.01 1 33 248 6 TRP HA H 5.08 0.01 1 34 248 6 TRP HB2 H 2.71 0.01 2 35 248 6 TRP HB3 H 3.10 0.01 2 36 248 6 TRP HD1 H 6.96 0.01 1 37 248 6 TRP HE1 H 9.96 0.01 1 38 248 6 TRP HE3 H 7.39 0.01 1 39 248 6 TRP HZ2 H 7.44 0.01 1 40 248 6 TRP HZ3 H 7.11 0.01 1 41 248 6 TRP HH2 H 7.26 0.01 1 42 248 6 TRP N N 120.7 0.1 1 43 248 6 TRP NE1 N 129.1 0.1 1 44 249 7 MET H H 9.67 0.01 1 45 249 7 MET HA H 5.29 0.01 1 46 249 7 MET HB2 H 1.93 0.01 1 47 249 7 MET HB3 H 1.93 0.01 1 48 249 7 MET HG2 H 2.37 0.01 2 49 249 7 MET HG3 H 2.57 0.01 2 50 249 7 MET N N 119.8 0.1 1 51 250 8 VAL H H 8.95 0.01 1 52 250 8 VAL HA H 4.99 0.01 1 53 250 8 VAL HB H 1.99 0.01 2 54 250 8 VAL HG1 H 0.85 0.01 2 55 250 8 VAL HG2 H 0.74 0.01 2 56 250 8 VAL N N 122.0 0.1 1 57 251 9 GLN H H 9.25 0.01 1 58 251 9 GLN HA H 5.35 0.01 1 59 251 9 GLN HB2 H 1.90 0.01 2 60 251 9 GLN HB3 H 2.10 0.01 2 61 251 9 GLN HG2 H 2.10 0.01 1 62 251 9 GLN HG3 H 2.10 0.01 1 63 251 9 GLN HE21 H 6.72 0.01 1 64 251 9 GLN HE22 H 7.01 0.01 1 65 251 9 GLN N N 127.5 0.1 1 66 252 10 CYS H H 9.27 0.01 1 67 252 10 CYS HA H 4.94 0.01 1 68 252 10 CYS HB2 H 2.30 0.01 2 69 252 10 CYS HB3 H 3.13 0.01 2 70 252 10 CYS N N 126.5 0.1 1 71 253 11 GLY H H 7.78 0.01 1 72 253 11 GLY HA2 H 3.54 0.01 2 73 253 11 GLY HA3 H 4.30 0.01 2 74 253 11 GLY N N 108.9 0.01 1 75 254 12 SER H H 7.18 0.01 1 76 254 12 SER HA H 4.97 0.01 1 77 254 12 SER HB2 H 3.25 0.01 2 78 254 12 SER HB3 H 3.38 0.01 2 79 254 12 SER N N 114.5 0.1 1 80 255 13 PHE H H 9.24 0.01 1 81 255 13 PHE HA H 5.28 0.01 1 82 255 13 PHE HB2 H 2.87 0.01 2 83 255 13 PHE HB3 H 3.65 0.01 2 84 255 13 PHE HD1 H 7.33 0.01 1 85 255 13 PHE HD2 H 7.33 0.01 1 86 255 13 PHE HE1 H 7.36 0.01 1 87 255 13 PHE HE2 H 7.36 0.01 1 88 255 13 PHE HZ H 7.51 0.01 1 89 255 13 PHE N N 122.7 0.1 1 90 256 14 ARG H H 8.43 0.01 1 91 256 14 ARG HA H 3.86 0.01 1 92 256 14 ARG HB2 H 1.64 0.01 1 93 256 14 ARG HB3 H 1.64 0.01 1 94 256 14 ARG HG2 H 1.52 0.01 1 95 256 14 ARG HG3 H 1.52 0.01 1 96 256 14 ARG N N 120.4 0.1 1 97 257 15 GLY H H 8.34 0.01 1 98 257 15 GLY HA2 H 3.87 0.01 2 99 257 15 GLY HA3 H 4.36 0.01 2 100 257 15 GLY N N 106.5 0.1 1 101 258 16 ALA H H 8.86 0.01 1 102 258 16 ALA HA H 3.81 0.01 1 103 258 16 ALA HB H 1.45 0.01 1 104 258 16 ALA N N 129.2 0.1 1 105 259 17 GLU H H 9.12 0.01 1 106 259 17 GLU HA H 4.01 0.01 1 107 259 17 GLU HB2 H 1.99 0.01 2 108 259 17 GLU HB3 H 2.05 0.01 2 109 259 17 GLU HG2 H 2.33 0.01 1 110 259 17 GLU HG3 H 2.33 0.01 1 111 259 17 GLU N N 118.4 0.1 1 112 260 18 GLN H H 7.69 0.01 1 113 260 18 GLN HA H 3.90 0.01 1 114 260 18 GLN HB2 H 1.64 0.01 2 115 260 18 GLN HB3 H 2.06 0.01 2 116 260 18 GLN HG2 H 2.17 0.01 2 117 260 18 GLN HG3 H 2.24 0.01 2 118 260 18 GLN HE21 H 7.50 0.01 1 119 260 18 GLN HE22 H 7.03 0.01 1 120 260 18 GLN N N 119.9 0.1 1 121 261 19 ALA H H 7.05 0.01 1 122 261 19 ALA HA H 3.51 0.01 1 123 261 19 ALA HB H 1.41 0.01 1 124 261 19 ALA N N 119.5 0.1 1 125 262 20 GLU H H 8.22 0.01 1 126 262 20 GLU HA H 4.35 0.01 1 127 262 20 GLU HB2 H 1.93 0.01 2 128 262 20 GLU HB3 H 2.06 0.01 2 129 262 20 GLU HG2 H 2.21 0.01 2 130 262 20 GLU HG3 H 2.40 0.01 2 131 262 20 GLU N N 118.7 0.1 1 132 263 21 THR H H 7.87 0.01 1 133 263 21 THR HA H 3.96 0.01 1 134 263 21 THR HB H 4.19 0.01 1 135 263 21 THR HG2 H 1.26 0.01 1 136 263 21 THR N N 116.4 0.1 1 137 264 22 VAL H H 7.18 0.01 1 138 264 22 VAL HA H 3.80 0.01 1 139 264 22 VAL HB H 2.05 0.01 1 140 264 22 VAL HG1 H 1.06 0.01 1 141 264 22 VAL HG2 H 1.06 0.01 1 142 264 22 VAL N N 122.5 0.1 1 143 265 23 ARG H H 8.79 0.01 1 144 265 23 ARG HA H 3.58 0.01 1 145 265 23 ARG HB2 H 1.54 0.01 2 146 265 23 ARG HB3 H 1.83 0.01 2 147 265 23 ARG HG2 H 1.98 0.01 2 148 265 23 ARG HG3 H 2.04 0.01 2 149 265 23 ARG N N 121.6 0.1 1 150 266 24 ALA H H 8.97 0.01 1 151 266 24 ALA HA H 4.06 0.01 1 152 266 24 ALA HB H 1.54 0.01 1 153 266 24 ALA N N 121.6 0.1 1 154 267 25 GLN H H 7.85 0.01 1 155 267 25 GLN HA H 4.24 0.01 1 156 267 25 GLN HB2 H 2.28 0.01 2 157 267 25 GLN HB3 H 2.39 0.01 2 158 267 25 GLN HG2 H 2.53 0.01 2 159 267 25 GLN HG3 H 2.63 0.01 2 160 267 25 GLN N N 121.1 0.1 1 161 268 26 LEU H H 8.31 0.01 1 162 268 26 LEU HA H 4.23 0.01 1 163 268 26 LEU HB2 H 1.31 0.01 2 164 268 26 LEU HB3 H 1.89 0.01 2 165 268 26 LEU HG H 1.62 0.01 1 166 268 26 LEU HD1 H 0.06 0.01 2 167 268 26 LEU HD2 H 0.50 0.01 2 168 268 26 LEU N N 118.1 0.1 1 169 269 27 ALA H H 8.27 0.01 1 170 269 27 ALA HA H 4.89 0.01 1 171 269 27 ALA HB H 1.63 0.01 1 172 269 27 ALA N N 122.6 0.1 1 173 270 28 PHE H H 8.38 0.01 1 174 270 28 PHE HA H 4.41 0.01 1 175 270 28 PHE HB2 H 3.43 0.01 2 176 270 28 PHE HB3 H 3.54 0.01 2 177 270 28 PHE HD1 H 7.40 0.01 1 178 270 28 PHE HD2 H 7.40 0.01 1 179 270 28 PHE HE1 H 7.40 0.01 1 180 270 28 PHE HE2 H 7.40 0.01 1 181 270 28 PHE HZ H 7.40 0.01 1 182 270 28 PHE N N 122.8 0.1 1 183 271 29 GLU H H 7.82 0.01 1 184 271 29 GLU HA H 4.14 0.01 1 185 271 29 GLU HB2 H 2.62 0.01 1 186 271 29 GLU HB3 H 2.62 0.01 1 187 271 29 GLU N N 117.2 0.1 1 188 272 30 GLY H H 7.81 0.01 1 189 272 30 GLY HA2 H 3.63 0.01 2 190 272 30 GLY HA3 H 4.05 0.01 2 191 272 30 GLY N N 105.9 0.1 1 192 273 31 PHE H H 8.42 0.01 1 193 273 31 PHE HA H 4.64 0.01 1 194 273 31 PHE HB2 H 2.69 0.01 2 195 273 31 PHE HB3 H 2.77 0.01 2 196 273 31 PHE HD1 H 7.42 0.01 1 197 273 31 PHE HD2 H 7.42 0.01 1 198 273 31 PHE HE1 H 7.37 0.01 1 199 273 31 PHE HE2 H 7.37 0.01 1 200 273 31 PHE HZ H 7.04 0.01 1 201 273 31 PHE N N 119.8 0.1 1 202 274 32 ASP H H 8.98 0.01 1 203 274 32 ASP HA H 4.87 0.01 1 204 274 32 ASP HB2 H 2.63 0.01 2 205 274 32 ASP HB3 H 2.85 0.01 2 206 274 32 ASP N N 124.1 0.1 1 207 275 33 SER H H 7.94 0.01 1 208 275 33 SER HA H 5.01 0.01 1 209 275 33 SER HB2 H 3.54 0.01 2 210 275 33 SER HB3 H 3.66 0.01 2 211 275 33 SER N N 115.9 0.1 1 212 276 34 LYS H H 9.25 0.01 1 213 276 34 LYS HA H 4.74 0.01 1 214 276 34 LYS HB2 H 1.92 0.01 1 215 276 34 LYS HB3 H 1.92 0.01 1 216 276 34 LYS HG2 H 1.51 0.01 1 217 276 34 LYS HG3 H 1.51 0.01 1 218 276 34 LYS HD2 H 1.72 0.01 1 219 276 34 LYS HD3 H 1.72 0.01 1 220 276 34 LYS HE2 H 2.91 0.01 1 221 276 34 LYS HE3 H 2.96 0.01 1 222 276 34 LYS N N 121.5 0.1 1 223 277 35 ILE H H 8.54 0.01 1 224 277 35 ILE HA H 5.41 0.01 1 225 277 35 ILE HB H 1.69 0.01 1 226 277 35 ILE HG12 H 1.52 0.01 1 227 277 35 ILE HG13 H 1.52 0.01 1 228 277 35 ILE HG2 H 0.87 0.01 1 229 277 35 ILE HD1 H 0.89 0.01 1 230 277 35 ILE N N 119.6 0.1 1 231 278 36 THR H H 8.75 0.01 1 232 278 36 THR HA H 4.85 0.01 1 233 278 36 THR HB H 4.17 0.01 1 234 278 36 THR HG2 H 1.17 0.01 1 235 278 36 THR N N 121.6 0.1 1 236 279 37 THR H H 8.75 0.01 1 237 279 37 THR HA H 5.52 0.01 1 238 279 37 THR HB H 3.99 0.01 1 239 279 37 THR HG2 H 1.15 0.01 1 240 279 37 THR N N 120.0 0.1 1 241 280 38 ASN H H 8.64 0.01 1 242 280 38 ASN HA H 4.88 0.01 1 243 280 38 ASN HB2 H 2.71 0.01 2 244 280 38 ASN HB3 H 2.78 0.01 2 245 280 38 ASN N N 121.6 0.1 1 246 281 39 ASN HA H 4.48 0.01 1 247 281 39 ASN HB2 H 2.79 0.01 2 248 281 39 ASN HB3 H 3.25 0.01 2 249 281 39 ASN HD21 H 7.69 0.01 1 250 281 39 ASN HD22 H 6.97 0.01 1 251 282 40 GLY H H 8.73 0.01 1 252 282 40 GLY HA2 H 3.52 0.01 2 253 282 40 GLY HA3 H 3.99 0.01 2 254 282 40 GLY N N 103.8 0.1 1 255 283 41 TRP H H 7.95 0.01 1 256 283 41 TRP HA H 4.65 0.01 1 257 283 41 TRP HB2 H 3.04 0.01 2 258 283 41 TRP HB3 H 3.14 0.01 2 259 283 41 TRP HD1 H 7.24 0.01 1 260 283 41 TRP HE1 H 10.11 0.1 1 261 283 41 TRP HE3 H 7.50 0.01 1 262 283 41 TRP HZ2 H 7.50 0.01 1 263 283 41 TRP HZ3 H 7.04 0.01 1 264 283 41 TRP HH2 H 7.23 0.01 1 265 283 41 TRP N N 119.7 0.1 1 266 283 41 TRP NE1 N 128.8 0.1 1 267 284 42 ASN H H 9.18 0.01 1 268 284 42 ASN HA H 5.28 0.01 1 269 284 42 ASN HB2 H 3.02 0.01 1 270 284 42 ASN HB3 H 3.02 0.01 1 271 284 42 ASN HD21 H 7.08 0.01 1 272 284 42 ASN HD22 H 6.35 0.01 1 273 284 42 ASN N N 120.8 0.1 1 274 285 43 ARG H H 9.48 0.01 1 275 285 43 ARG HA H 5.22 0.01 1 276 285 43 ARG HB2 H 1.90 0.01 1 277 285 43 ARG HB3 H 1.90 0.01 1 278 285 43 ARG HG2 H 1.57 0.01 2 279 285 43 ARG HG3 H 1.66 0.01 2 280 285 43 ARG HD2 H 3.07 0.01 1 281 285 43 ARG HD3 H 3.07 0.01 1 282 285 43 ARG N N 125.0 0.1 1 283 286 44 VAL H H 8.03 0.01 1 284 286 44 VAL HA H 4.66 0.01 1 285 286 44 VAL HB H 1.99 0.01 1 286 286 44 VAL HG1 H 0.76 0.01 2 287 286 44 VAL HG2 H 1.08 0.01 2 288 286 44 VAL N N 123.2 0.1 1 289 287 45 VAL H H 9.18 0.01 1 290 287 45 VAL HA H 5.49 0.01 1 291 287 45 VAL HB H 2.13 0.01 1 292 287 45 VAL HG1 H 0.77 0.01 1 293 287 45 VAL HG2 H 0.77 0.01 1 294 287 45 VAL N N 121.9 0.1 1 295 288 46 ILE H H 9.26 0.01 1 296 288 46 ILE HA H 4.47 0.01 1 297 288 46 ILE HB H 1.56 0.01 1 298 288 46 ILE HG12 H 1.35 0.01 2 299 288 46 ILE HG13 H 1.12 0.01 2 300 288 46 ILE HG2 H 0.97 0.01 1 301 288 46 ILE HD1 H 0.65 0.01 1 302 288 46 ILE N N 123.3 0.1 1 303 289 47 GLY H H 8.81 0.01 1 304 289 47 GLY HA2 H 3.55 0.01 2 305 289 47 GLY HA3 H 5.06 0.01 2 306 289 47 GLY N N 113.6 0.1 1 307 290 48 PRO HA H 5.06 0.01 1 308 290 48 PRO HB2 H 2.21 0.01 1 309 290 48 PRO HB3 H 2.21 0.01 1 310 290 48 PRO HG2 H 1.90 0.01 1 311 290 48 PRO HG3 H 1.90 0.01 1 312 290 48 PRO HD2 H 3.55 0.01 1 313 290 48 PRO HD3 H 3.55 0.01 1 314 291 49 VAL H H 9.70 0.01 1 315 291 49 VAL HA H 4.60 0.01 1 316 291 49 VAL HB H 2.14 0.01 1 317 291 49 VAL HG1 H 0.97 0.01 1 318 291 49 VAL HG2 H 0.97 0.01 1 319 291 49 VAL N N 120.9 0.1 1 320 292 50 LYS H H 8.96 0.01 1 321 292 50 LYS HA H 4.59 0.01 1 322 292 50 LYS HB2 H 1.95 0.01 1 323 292 50 LYS HB3 H 1.95 0.01 1 324 292 50 LYS HG2 H 1.38 0.01 1 325 292 50 LYS HG3 H 1.38 0.01 1 326 292 50 LYS HD2 H 1.74 0.01 1 327 292 50 LYS HD3 H 1.74 0.01 1 328 292 50 LYS HE2 H 3.02 0.01 1 329 292 50 LYS HE3 H 3.02 0.01 1 330 292 50 LYS N N 126.2 0.1 1 331 293 51 GLY H H 9.06 0.01 1 332 293 51 GLY HA2 H 4.00 0.01 2 333 293 51 GLY HA3 H 4.67 0.01 2 334 293 51 GLY N N 115.2 0.1 1 335 294 52 LYS H H 9.24 0.01 1 336 294 52 LYS HA H 4.80 0.01 1 337 294 52 LYS HB2 H 1.91 0.01 1 338 294 52 LYS HB3 H 1.91 0.01 1 339 294 52 LYS HG2 H 1.41 0.01 1 340 294 52 LYS HG3 H 1.41 0.01 1 341 294 52 LYS HD2 H 1.68 0.01 1 342 294 52 LYS HD3 H 1.68 0.01 1 343 294 52 LYS HE2 H 2.81 0.01 1 344 294 52 LYS HE3 H 2.81 0.01 1 345 294 52 LYS N N 129.5 0.1 1 346 295 53 GLU H H 9.16 0.01 1 347 295 53 GLU HA H 4.09 0.01 1 348 295 53 GLU HB2 H 2.05 0.01 1 349 295 53 GLU HB3 H 2.05 0.01 1 350 295 53 GLU HG2 H 2.37 0.01 1 351 295 53 GLU HG3 H 2.37 0.01 1 352 295 53 GLU N N 117.9 0.1 1 353 296 54 ASN H H 7.80 0.01 1 354 296 54 ASN HA H 4.65 0.01 1 355 296 54 ASN HB2 H 2.83 0.01 2 356 296 54 ASN HB3 H 2.97 0.01 2 357 296 54 ASN HD21 H 8.17 0.01 1 358 296 54 ASN HD22 H 7.16 0.01 1 359 296 54 ASN N N 118.6 0.1 1 360 297 55 ALA H H 7.93 0.01 1 361 297 55 ALA HA H 3.85 0.01 1 362 297 55 ALA HB H 1.09 0.01 1 363 297 55 ALA N N 126.1 0.1 1 364 298 56 ASP H H 8.74 0.01 1 365 298 56 ASP HA H 4.40 0.01 1 366 298 56 ASP HB2 H 2.62 0.01 1 367 298 56 ASP HB3 H 2.62 0.01 1 368 298 56 ASP N N 119.3 0.1 1 369 299 57 SER H H 8.25 0.01 1 370 299 57 SER HA H 4.37 0.01 1 371 299 57 SER HB2 H 4.13 0.01 1 372 299 57 SER HB3 H 4.13 0.01 1 373 299 57 SER N N 117.1 0.1 1 374 300 58 THR H H 7.94 0.01 1 375 300 58 THR HA H 4.05 0.01 1 376 300 58 THR HB H 4.46 0.01 1 377 300 58 THR HG2 H 1.27 0.01 1 378 300 58 THR N N 120.5 0.1 1 379 301 59 LEU H H 8.38 0.01 1 380 301 59 LEU HA H 3.99 0.01 1 381 301 59 LEU HB2 H 1.75 0.01 1 382 301 59 LEU HB3 H 1.75 0.01 1 383 301 59 LEU HG H 1.55 0.01 1 384 301 59 LEU HD1 H 0.77 0.01 1 385 301 59 LEU HD2 H 0.77 0.01 1 386 301 59 LEU N N 121.7 0.1 1 387 302 60 ASN H H 8.41 0.01 1 388 302 60 ASN HA H 4.48 0.01 1 389 302 60 ASN HB2 H 2.96 0.01 1 390 302 60 ASN HB3 H 2.96 0.01 1 391 302 60 ASN HD21 H 7.71 0.01 1 392 302 60 ASN HD22 H 6.98 0.01 1 393 302 60 ASN N N 118.4 0.1 1 394 303 61 ARG H H 8.19 0.01 1 395 303 61 ARG HA H 4.21 0.01 1 396 303 61 ARG HB2 H 2.28 0.01 1 397 303 61 ARG HB3 H 2.28 0.01 1 398 303 61 ARG HG2 H 2.10 0.01 1 399 303 61 ARG HG3 H 2.10 0.01 1 400 303 61 ARG HD2 H 3.11 0.01 1 401 303 61 ARG HD3 H 3.11 0.01 1 402 303 61 ARG N N 120.8 0.1 1 403 304 62 LEU H H 8.50 0.01 1 404 304 62 LEU HA H 3.89 0.01 1 405 304 62 LEU HB2 H 1.47 0.01 2 406 304 62 LEU HB3 H 2.06 0.01 2 407 304 62 LEU HG H 1.21 0.01 1 408 304 62 LEU HD1 H -0.19 0.01 2 409 304 62 LEU HD2 H 0.57 0.01 2 410 304 62 LEU N N 122.7 0.1 1 411 305 63 LYS H H 8.43 0.01 1 412 305 63 LYS HA H 3.89 0.01 1 413 305 63 LYS HB2 H 1.99 0.01 1 414 305 63 LYS HB3 H 1.99 0.01 1 415 305 63 LYS HG2 H 1.61 0.01 1 416 305 63 LYS HG3 H 1.61 0.01 1 417 305 63 LYS HD2 H 1.73 0.01 1 418 305 63 LYS HD3 H 1.73 0.01 1 419 305 63 LYS HE2 H 2.95 0.01 1 420 305 63 LYS HE3 H 2.95 0.01 1 421 305 63 LYS N N 121.0 0.1 1 422 306 64 MET H H 8.37 0.01 1 423 306 64 MET HA H 4.27 0.01 1 424 306 64 MET HB2 H 2.28 0.01 1 425 306 64 MET HB3 H 2.28 0.01 1 426 306 64 MET HG2 H 2.70 0.01 2 427 306 64 MET HG3 H 2.84 0.01 2 428 306 64 MET N N 120.6 0.1 1 429 307 65 ALA H H 7.52 0.01 1 430 307 65 ALA HA H 4.57 0.01 1 431 307 65 ALA HB H 1.82 0.01 1 432 307 65 ALA N N 120.0 0.1 1 433 308 66 GLY H H 7.77 0.01 1 434 308 66 GLY HA2 H 3.66 0.01 2 435 308 66 GLY HA3 H 4.22 0.01 2 436 308 66 GLY N N 105.1 0.1 1 437 309 67 HIS H H 8.25 0.01 1 438 309 67 HIS HA H 4.98 0.01 1 439 309 67 HIS HB2 H 3.05 0.01 1 440 309 67 HIS HB3 H 3.05 0.01 1 441 309 67 HIS HD2 H 7.02 0.01 1 442 309 67 HIS HE1 H 7.30 0.01 1 443 309 67 HIS N N 120.7 0.1 1 444 310 68 THR H H 9.68 0.01 1 445 310 68 THR HA H 4.80 0.01 1 446 310 68 THR HB H 4.04 0.01 1 447 310 68 THR HG2 H 1.66 0.01 1 448 310 68 THR N N 126.4 0.1 1 449 311 69 ASN H H 8.69 0.01 1 450 311 69 ASN HA H 4.86 0.01 1 451 311 69 ASN HB2 H 2.82 0.01 2 452 311 69 ASN HB3 H 3.01 0.01 2 453 311 69 ASN HD21 H 7.66 0.01 1 454 311 69 ASN HD22 H 6.87 0.01 1 455 311 69 ASN N N 118.8 0.1 1 456 312 70 CYS H H 7.76 0.01 1 457 312 70 CYS HA H 5.58 0.01 1 458 312 70 CYS HB2 H 2.38 0.01 2 459 312 70 CYS HB3 H 3.16 0.01 2 460 312 70 CYS N N 118.4 0.1 1 461 313 71 ILE H H 8.92 0.01 1 462 313 71 ILE HA H 4.65 0.01 1 463 313 71 ILE HB H 1.88 0.01 1 464 313 71 ILE HG12 H 1.16 0.01 2 465 313 71 ILE HG13 H 1.37 0.01 2 466 313 71 ILE HG2 H 0.89 0.01 1 467 313 71 ILE HD1 H 0.74 0.01 1 468 313 71 ILE N N 116.7 0.1 1 469 314 72 ARG H H 8.76 0.01 1 470 314 72 ARG HA H 5.21 0.01 1 471 314 72 ARG HB2 H 1.813 0.01 1 472 314 72 ARG HB3 H 1.813 0.01 1 473 314 72 ARG HG2 H 1.566 0.01 1 474 314 72 ARG HG3 H 1.566 0.01 1 475 314 72 ARG N N 122.6 0.1 1 476 315 73 LEU H H 9.362 0.01 1 477 315 73 LEU HA H 4.936 0.01 1 478 315 73 LEU HB2 H 1.601 0.01 1 479 315 73 LEU HB3 H 1.601 0.01 1 480 315 73 LEU HG H 1.520 0.01 1 481 315 73 LEU HD1 H 0.798 0.01 2 482 315 73 LEU HD2 H 0.889 0.01 2 483 315 73 LEU N N 126.5 0.1 1 484 316 74 ALA H H 8.829 0.01 1 485 316 74 ALA HA H 3.918 0.01 1 486 316 74 ALA HB H 1.073 0.01 1 487 316 74 ALA N N 126.1 0.1 1 488 317 75 ALA H H 7.884 0.01 1 489 317 75 ALA HA H 4.331 0.01 1 490 317 75 ALA HB H 1.124 0.01 1 491 317 75 ALA N N 124.2 0.1 1 492 318 76 GLY H H 8.264 0.01 1 493 318 76 GLY HA2 H 3.969 0.01 1 494 318 76 GLY HA3 H 3.969 0.01 1 495 318 76 GLY N N 108.6 0.1 1 496 319 77 GLY H H 8.377 0.01 1 497 319 77 GLY HA2 H 4.001 0.01 1 498 319 77 GLY HA3 H 4.001 0.01 1 499 319 77 GLY N N 108.7 0.01 1 stop_ save_