data_17867 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural Insight into the Unique Cardiac Myosin Binding Protein-C Motif: A Partially Folded Domain ; _BMRB_accession_number 17867 _BMRB_flat_file_name bmr17867.str _Entry_type original _Submission_date 2011-08-18 _Accession_date 2011-08-18 _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 Howarth Jack W. . 2 Rosevear Paul R. . 3 Ramisetti Srini . . 4 Nolan Kristof . . 5 Sadayappan Sakthivel . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 210 "13C chemical shifts" 298 "15N chemical shifts" 100 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-04-06 update BMRB 'update entry citation' 2012-01-18 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural Insight into Unique Cardiac Myosin-binding Protein-C Motif: A PARTIALLY FOLDED DOMAIN.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22235120 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Howarth Jack W. . 2 Ramisetti Srinivas . . 3 Nolan Kristof . . 4 Sadayappan Sakthivel . . 5 Rosevear Paul R. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 287 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 8254 _Page_last 8262 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Myosin Binding Protein-C Motif' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Myosin Binding Protein-C Motif' $Myosin_binding_C 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_Myosin_binding_C _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Myosin Binding Protein-C Motif' _Molecular_mass 4189.856 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 124 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MHEAIGSGDLDLRSAFRRTS LAGAGRRTSDSHEDAGTLDF SSLLKKRDSFRRDSKLEAPA EEDVWEILRQAPPSEYERIA FQHGVTDLRGMLKRLKGMKQ DEKK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . MET 2 . GLY 3 . SER 4 . SER 5 . HIS 6 . HIS 7 . HIS 8 . HIS 9 . HIS 10 . HIS 11 . SER 12 . SER 13 . GLY 14 . LEU 15 . VAL 16 . PRO 17 . ARG 18 . GLY 19 . SER 20 . HIS 21 . MET 22 255 HIS 23 256 GLU 24 257 ALA 25 258 ILE 26 259 GLY 27 260 SER 28 261 GLY 29 262 ASP 30 263 LEU 31 264 ASP 32 265 LEU 33 266 ARG 34 267 SER 35 268 ALA 36 269 PHE 37 270 ARG 38 271 ARG 39 272 THR 40 273 SER 41 274 LEU 42 275 ALA 43 276 GLY 44 277 ALA 45 278 GLY 46 279 ARG 47 280 ARG 48 281 THR 49 282 SER 50 283 ASP 51 284 SER 52 285 HIS 53 286 GLU 54 287 ASP 55 288 ALA 56 289 GLY 57 290 THR 58 291 LEU 59 292 ASP 60 293 PHE 61 294 SER 62 295 SER 63 296 LEU 64 297 LEU 65 298 LYS 66 299 LYS 67 300 ARG 68 301 ASP 69 302 SER 70 303 PHE 71 304 ARG 72 305 ARG 73 306 ASP 74 307 SER 75 308 LYS 76 309 LEU 77 310 GLU 78 311 ALA 79 312 PRO 80 313 ALA 81 314 GLU 82 315 GLU 83 316 ASP 84 317 VAL 85 318 TRP 86 319 GLU 87 320 ILE 88 321 LEU 89 322 ARG 90 323 GLN 91 324 ALA 92 325 PRO 93 326 PRO 94 327 SER 95 328 GLU 96 329 TYR 97 330 GLU 98 331 ARG 99 332 ILE 100 333 ALA 101 334 PHE 102 335 GLN 103 336 HIS 104 337 GLY 105 338 VAL 106 339 THR 107 340 ASP 108 341 LEU 109 342 ARG 110 343 GLY 111 344 MET 112 345 LEU 113 346 LYS 114 347 ARG 115 348 LEU 116 349 LYS 117 350 GLY 118 351 MET 119 352 LYS 120 353 GLN 121 354 ASP 122 355 GLU 123 356 LYS 124 357 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-26 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 2LHU "Structural Insight Into The Unique Cardiac Myosin Binding Protein-C Motif: A Partially Folded Domain" 100.00 124 100.00 100.00 3.84e-82 DBJ BAE27506 "unnamed protein product [Mus musculus]" 83.87 1278 99.04 100.00 1.88e-60 DBJ BAE41061 "unnamed protein product [Mus musculus]" 83.87 1113 97.12 98.08 4.91e-57 GB AAC64202 "myosin binding protein-C [Mus musculus]" 83.87 1270 99.04 100.00 2.10e-60 GB AAI54409 "Mybpc3 protein [Mus musculus]" 83.87 1270 99.04 100.00 2.08e-60 GB EDL27527 "myosin binding protein C, cardiac, isoform CRA_a [Mus musculus]" 83.87 1268 97.12 98.08 3.54e-57 PRF 2020397A "C protein" 83.87 1270 99.04 100.00 2.02e-60 REF NP_032679 "myosin-binding protein C, cardiac-type [Mus musculus]" 83.87 1278 99.04 100.00 1.88e-60 REF XP_006234565 "PREDICTED: myosin-binding protein C, cardiac-type isoform X1 [Rattus norvegicus]" 83.87 1276 97.12 98.08 6.77e-59 REF XP_006234566 "PREDICTED: myosin-binding protein C, cardiac-type isoform X1 [Rattus norvegicus]" 83.87 1276 97.12 98.08 6.77e-59 REF XP_006498945 "PREDICTED: myosin-binding protein C, cardiac-type isoform X2 [Mus musculus]" 83.87 1277 97.12 98.08 2.94e-57 REF XP_011237643 "PREDICTED: myosin-binding protein C, cardiac-type isoform X1 [Mus musculus]" 83.87 1278 99.04 100.00 1.88e-60 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Myosin_binding_C Mouse 10090 Eukaryota Metazoa Mus musculus 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 $Myosin_binding_C 'recombinant technology' . Escherichia coli . pET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Myosin_binding_C 1.0 mM '[U-13C; U-15N]' TRIS 20.0 mM [U-2H] 'sodium chloride' 50.0 mM 'natural abundance' TCEP 2.0 mM 'natural abundance' EDTA 1.0 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CS-Rosetta _Saveframe_category software _Name CS-Rosetta _Version . loop_ _Vendor _Address _Electronic_address 'Yang Shen, Robert Vernon, David Baker and Ad Bax' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMRS _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_HCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 6.8 . pH pressure 1 . atm temperature 288 . 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' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HCACO' '3D C(CO)NH' '3D HBHA(CO)NH' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Myosin Binding Protein-C Motif' _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 1 255 22 HIS H H 8.330 0.007 1 2 255 22 HIS HA H 4.570 0.016 1 3 255 22 HIS C C 175.200 0.073 1 4 255 22 HIS CA C 56.380 0.167 1 5 255 22 HIS CB C 30.640 0.167 1 6 255 22 HIS N N 120.208 0.039 1 7 256 23 GLU H H 8.303 0.007 1 8 256 23 GLU HA H 4.230 0.016 1 9 256 23 GLU C C 175.900 0.073 1 10 256 23 GLU CA C 56.420 0.167 1 11 256 23 GLU CB C 30.360 0.167 1 12 256 23 GLU N N 121.928 0.039 1 13 257 24 ALA H H 8.400 0.007 1 14 257 24 ALA HA H 4.330 0.016 1 15 257 24 ALA C C 177.600 0.073 1 16 257 24 ALA CA C 52.330 0.167 1 17 257 24 ALA CB C 19.070 0.167 1 18 257 24 ALA N N 125.223 0.039 1 19 258 25 ILE H H 8.196 0.007 1 20 258 25 ILE HA H 4.140 0.016 1 21 258 25 ILE C C 176.900 0.073 1 22 258 25 ILE CA C 61.350 0.167 1 23 258 25 ILE CB C 38.600 0.167 1 24 258 25 ILE N N 120.444 0.039 1 25 259 26 GLY H H 8.582 0.007 1 26 259 26 GLY HA2 H 3.993 0.016 . 27 259 26 GLY HA3 H 3.993 0.016 . 28 259 26 GLY C C 174.200 0.073 1 29 259 26 GLY CA C 45.190 0.167 1 30 259 26 GLY N N 113.111 0.039 1 31 260 27 SER H H 8.339 0.007 1 32 260 27 SER HA H 4.430 0.016 1 33 260 27 SER C C 175.200 0.073 1 34 260 27 SER CA C 58.600 0.167 1 35 260 27 SER CB C 63.790 0.167 1 36 260 27 SER N N 115.659 0.039 1 37 261 28 GLY H H 8.584 0.007 1 38 261 28 GLY HA2 H 3.973 0.016 . 39 261 28 GLY HA3 H 3.973 0.016 . 40 261 28 GLY C C 174.000 0.073 1 41 261 28 GLY CA C 45.380 0.167 1 42 261 28 GLY N N 110.945 0.039 1 43 262 29 ASP H H 8.226 0.007 1 44 262 29 ASP HA H 4.580 0.016 1 45 262 29 ASP C C 176.500 0.073 1 46 262 29 ASP CA C 54.630 0.167 1 47 262 29 ASP CB C 41.070 0.167 1 48 262 29 ASP N N 120.407 0.039 1 49 263 30 LEU H H 8.205 0.007 1 50 263 30 LEU HA H 4.220 0.016 1 51 263 30 LEU C C 177.200 0.073 1 52 263 30 LEU CA C 55.690 0.167 1 53 263 30 LEU CB C 42.170 0.167 1 54 263 30 LEU N N 121.880 0.039 1 55 264 31 ASP H H 8.327 0.007 1 56 264 31 ASP HA H 4.580 0.016 1 57 264 31 ASP C C 176.800 0.073 1 58 264 31 ASP CA C 54.300 0.167 1 59 264 31 ASP CB C 40.880 0.167 1 60 264 31 ASP N N 120.806 0.039 1 61 265 32 LEU H H 8.263 0.007 1 62 265 32 LEU HA H 4.220 0.016 1 63 265 32 LEU C C 178.200 0.073 1 64 265 32 LEU CA C 56.020 0.167 1 65 265 32 LEU CB C 41.780 0.167 1 66 265 32 LEU N N 123.224 0.039 1 67 266 33 ARG H H 8.279 0.007 1 68 266 33 ARG HA H 4.230 0.016 1 69 266 33 ARG C C 177.300 0.073 1 70 266 33 ARG CA C 57.150 0.167 1 71 266 33 ARG CB C 30.140 0.167 1 72 266 33 ARG N N 119.270 0.039 1 73 267 34 SER H H 8.097 0.007 1 74 267 34 SER HA H 4.320 0.016 1 75 267 34 SER C C 174.900 0.073 1 76 267 34 SER CA C 59.050 0.167 1 77 267 34 SER CB C 63.410 0.167 1 78 267 34 SER N N 115.229 0.039 1 79 268 35 ALA H H 8.214 0.007 1 80 268 35 ALA HA H 4.190 0.016 1 81 268 35 ALA C C 177.900 0.073 1 82 268 35 ALA CA C 53.300 0.167 1 83 268 35 ALA CB C 18.740 0.167 1 84 268 35 ALA N N 125.076 0.039 1 85 269 36 PHE H H 8.055 0.007 1 86 269 36 PHE HA H 4.520 0.016 1 87 269 36 PHE C C 175.900 0.073 1 88 269 36 PHE CA C 58.110 0.167 1 89 269 36 PHE CB C 39.200 0.167 1 90 269 36 PHE N N 118.000 0.039 1 91 270 37 ARG H H 8.009 0.007 1 92 270 37 ARG HA H 4.270 0.016 1 93 270 37 ARG C C 176.100 0.073 1 94 270 37 ARG CA C 56.250 0.167 1 95 270 37 ARG CB C 30.680 0.167 1 96 270 37 ARG N N 121.802 0.039 1 97 271 38 ARG H H 8.324 0.007 1 98 271 38 ARG HA H 4.290 0.016 1 99 271 38 ARG C C 176.700 0.073 1 100 271 38 ARG CA C 56.620 0.167 1 101 271 38 ARG CB C 30.680 0.167 1 102 271 38 ARG N N 121.751 0.039 1 103 272 39 THR H H 8.188 0.007 1 104 272 39 THR HA H 4.330 0.016 1 105 272 39 THR C C 174.600 0.073 1 106 272 39 THR CA C 62.140 0.167 1 107 272 39 THR CB C 69.710 0.167 1 108 272 39 THR N N 114.707 0.039 1 109 273 40 SER H H 8.318 0.007 1 110 273 40 SER HA H 4.430 0.016 1 111 273 40 SER C C 174.600 0.073 1 112 273 40 SER CA C 58.400 0.167 1 113 273 40 SER CB C 63.700 0.167 1 114 273 40 SER N N 117.928 0.039 1 115 274 41 LEU H H 8.305 0.007 1 116 274 41 LEU HA H 4.310 0.016 1 117 274 41 LEU C C 177.300 0.073 1 118 274 41 LEU CA C 55.280 . 1 119 274 41 LEU CB C 42.100 . 1 120 274 41 LEU N N 124.040 0.039 1 121 275 42 ALA H H 8.257 0.007 1 122 275 42 ALA HA H 4.270 0.016 1 123 275 42 ALA C C 178.300 0.073 1 124 275 42 ALA CA C 52.790 0.167 1 125 275 42 ALA CB C 18.970 0.167 1 126 275 42 ALA N N 124.156 0.039 1 127 276 43 GLY H H 8.345 0.007 1 128 276 43 GLY HA2 H 3.923 0.016 . 129 276 43 GLY HA3 H 3.923 0.016 . 130 276 43 GLY C C 174.100 0.073 1 131 276 43 GLY CA C 45.240 0.167 1 132 276 43 GLY N N 108.114 0.039 1 133 277 44 ALA H H 8.181 0.007 1 134 277 44 ALA HA H 4.310 0.016 1 135 277 44 ALA C C 178.300 0.073 1 136 277 44 ALA CA C 52.700 0.167 1 137 277 44 ALA CB C 19.150 0.167 1 138 277 44 ALA N N 123.558 0.039 1 139 278 45 GLY H H 8.461 0.007 1 140 278 45 GLY HA2 H 3.922 0.016 . 141 278 45 GLY HA3 H 3.922 0.016 . 142 278 45 GLY C C 173.900 0.073 1 143 278 45 GLY CA C 45.200 0.167 1 144 278 45 GLY N N 107.956 0.039 1 145 279 46 ARG H H 8.136 0.007 1 146 279 46 ARG HA H 4.340 0.016 1 147 279 46 ARG C C 176.200 0.073 1 148 279 46 ARG CA C 55.900 0.167 1 149 279 46 ARG CB C 30.860 0.167 1 150 279 46 ARG N N 120.427 0.039 1 151 280 47 ARG H H 8.576 0.007 1 152 280 47 ARG HA H 4.450 0.016 1 153 280 47 ARG C C 176.700 0.073 1 154 280 47 ARG CA C 56.000 0.167 1 155 280 47 ARG CB C 30.890 0.167 1 156 280 47 ARG N N 122.881 0.039 1 157 281 48 THR H H 8.378 0.007 1 158 281 48 THR HA H 4.370 0.016 1 159 281 48 THR C C 174.700 0.073 1 160 281 48 THR CA C 61.860 0.167 1 161 281 48 THR CB C 69.780 0.167 1 162 281 48 THR N N 115.435 0.039 1 163 282 49 SER H H 8.370 0.007 1 164 282 49 SER HA H 4.450 0.016 1 165 282 49 SER C C 174.200 0.073 1 166 282 49 SER CA C 58.360 0.167 1 167 282 49 SER CB C 63.700 0.167 1 168 282 49 SER N N 116.949 0.039 1 169 283 50 ASP H H 8.365 0.007 1 170 283 50 ASP HA H 4.650 0.016 1 171 283 50 ASP C C 176.100 0.073 1 172 283 50 ASP CA C 54.360 0.167 1 173 283 50 ASP CB C 41.180 0.167 1 174 283 50 ASP N N 122.083 0.039 1 175 284 51 SER H H 8.236 0.007 1 176 284 51 SER HA H 4.390 0.016 1 177 284 51 SER C C 174.400 0.073 1 178 284 51 SER CA C 58.440 0.167 1 179 284 51 SER CB C 63.680 0.167 1 180 284 51 SER N N 115.614 0.039 1 181 285 52 HIS H H 8.449 0.007 1 182 285 52 HIS HA H 4.600 0.016 1 183 285 52 HIS C C 175.200 0.073 1 184 285 52 HIS CA C 56.360 0.167 1 185 285 52 HIS CB C 30.160 0.167 1 186 285 52 HIS N N 121.148 0.039 1 187 286 53 GLU H H 8.378 0.007 1 188 286 53 GLU HA H 4.230 0.016 1 189 286 53 GLU C C 176.000 0.073 1 190 286 53 GLU CA C 56.660 0.167 1 191 286 53 GLU CB C 30.210 0.167 1 192 286 53 GLU N N 121.889 0.039 1 193 287 54 ASP H H 8.488 0.007 1 194 287 54 ASP HA H 4.590 0.016 1 195 287 54 ASP C C 176.100 0.073 1 196 287 54 ASP CA C 54.290 0.167 1 197 287 54 ASP CB C 41.300 0.167 1 198 287 54 ASP N N 121.574 0.039 1 199 288 55 ALA H H 8.373 0.007 1 200 288 55 ALA HA H 4.260 0.016 1 201 288 55 ALA C C 178.300 0.073 1 202 288 55 ALA CA C 52.990 0.167 1 203 288 55 ALA CB C 19.070 0.167 1 204 288 55 ALA N N 124.918 0.039 1 205 289 56 GLY H H 8.486 0.007 1 206 289 56 GLY HA2 H 3.962 0.016 . 207 289 56 GLY HA3 H 3.962 0.016 . 208 289 56 GLY C C 174.400 0.073 1 209 289 56 GLY CA C 45.390 0.167 1 210 289 56 GLY N N 107.444 0.039 1 211 290 57 THR H H 7.993 0.007 1 212 290 57 THR HA H 4.290 0.016 1 213 290 57 THR C C 174.500 0.073 1 214 290 57 THR CA C 61.980 0.167 1 215 290 57 THR CB C 69.970 0.167 1 216 290 57 THR N N 113.643 0.039 1 217 291 58 LEU H H 8.236 0.007 1 218 291 58 LEU HA H 4.260 0.016 1 219 291 58 LEU C C 176.400 0.073 1 220 291 58 LEU CA C 55.080 0.167 1 221 291 58 LEU CB C 42.340 0.167 1 222 291 58 LEU N N 124.342 0.039 1 223 292 59 ASP H H 8.219 0.007 1 224 292 59 ASP HA H 4.600 0.016 1 225 292 59 ASP C C 176.300 0.073 1 226 292 59 ASP CA C 53.530 0.167 1 227 292 59 ASP CB C 41.020 0.167 1 228 292 59 ASP N N 120.791 0.039 1 229 293 60 PHE H H 8.438 0.007 1 230 293 60 PHE HA H 4.470 0.016 1 231 293 60 PHE C C 176.700 0.073 1 232 293 60 PHE CA C 59.100 0.167 1 233 293 60 PHE CB C 38.930 0.167 1 234 293 60 PHE N N 122.385 0.039 1 235 294 61 SER H H 8.409 0.007 1 236 294 61 SER HA H 4.230 0.016 1 237 294 61 SER C C 175.800 0.073 1 238 294 61 SER CA C 60.250 0.167 1 239 294 61 SER CB C 63.130 0.167 1 240 294 61 SER N N 116.025 0.039 1 241 295 62 SER H H 8.176 0.007 1 242 295 62 SER HA H 4.330 0.016 1 243 295 62 SER C C 175.300 0.073 1 244 295 62 SER CA C 59.720 0.167 1 245 295 62 SER CB C 63.160 0.167 1 246 295 62 SER N N 117.523 0.039 1 247 296 63 LEU H H 7.957 0.007 1 248 296 63 LEU HA H 4.210 0.016 1 249 296 63 LEU C C 177.900 0.073 1 250 296 63 LEU CA C 56.220 0.167 1 251 296 63 LEU CB C 41.910 0.167 1 252 296 63 LEU N N 122.815 0.039 1 253 297 64 LEU H H 7.888 0.007 1 254 297 64 LEU HA H 4.210 0.016 1 255 297 64 LEU C C 177.600 0.073 1 256 297 64 LEU CA C 55.770 0.167 1 257 297 64 LEU CB C 41.870 0.167 1 258 297 64 LEU N N 120.130 0.039 1 259 298 65 LYS H H 7.936 0.007 1 260 298 65 LYS HA H 4.230 0.016 1 261 298 65 LYS C C 176.900 0.073 1 262 298 65 LYS CA C 56.710 0.167 1 263 298 65 LYS CB C 32.750 0.167 1 264 298 65 LYS NZ N 120.407 0.039 1 265 299 66 LYS H H 8.162 0.007 1 266 299 66 LYS HA H 4.250 0.016 1 267 299 66 LYS C C 177.000 0.073 1 268 299 66 LYS CA C 56.740 0.167 1 269 299 66 LYS CB C 32.780 0.167 1 270 299 66 LYS N N 121.806 0.039 1 271 300 67 ARG H H 8.351 0.007 1 272 300 67 ARG HA H 4.250 0.016 1 273 300 67 ARG C C 176.400 0.073 1 274 300 67 ARG CA C 56.650 0.167 1 275 300 67 ARG CB C 30.680 0.167 1 276 300 67 ARG N N 122.073 0.039 1 277 301 68 ASP H H 8.386 0.007 1 278 301 68 ASP HA H 4.580 0.016 1 279 301 68 ASP C C 176.500 0.073 1 280 301 68 ASP CA C 54.690 0.167 1 281 301 68 ASP CB C 41.080 0.167 1 282 301 68 ASP N N 121.143 0.039 1 283 302 69 SER H H 8.197 0.007 1 284 302 69 SER HA H 4.320 0.016 1 285 302 69 SER C C 174.300 0.073 1 286 302 69 SER CA C 58.880 0.167 1 287 302 69 SER CB C 63.550 0.167 1 288 302 69 SER N N 115.733 0.039 1 289 303 70 PHE H H 8.143 0.007 1 290 303 70 PHE HA H 4.580 0.016 1 291 303 70 PHE C C 175.600 0.073 1 292 303 70 PHE CA C 57.990 0.167 1 293 303 70 PHE CB C 39.270 0.167 1 294 303 70 PHE N N 121.560 0.039 1 295 304 71 ARG H H 8.127 0.007 1 296 304 71 ARG HA H 4.290 0.016 1 297 304 71 ARG C C 176.000 0.073 1 298 304 71 ARG CA C 56.010 0.167 1 299 304 71 ARG CB C 30.750 0.167 1 300 304 71 ARG N N 122.425 0.039 1 301 305 72 ARG H H 8.417 0.007 1 302 305 72 ARG HA H 4.250 0.016 1 303 305 72 ARG C C 176.000 0.073 1 304 305 72 ARG CA C 56.290 0.167 1 305 305 72 ARG CB C 30.680 0.167 1 306 305 72 ARG N N 122.681 0.039 1 307 306 73 ASP H H 8.443 0.007 1 308 306 73 ASP HA H 4.600 0.016 1 309 306 73 ASP C C 176.300 0.073 1 310 306 73 ASP CA C 54.250 0.167 1 311 306 73 ASP CB C 41.090 0.167 1 312 306 73 ASP N N 121.143 0.039 1 313 307 74 SER H H 8.230 0.007 1 314 307 74 SER HA H 4.360 0.016 1 315 307 74 SER C C 174.600 0.073 1 316 307 74 SER CA C 58.750 0.167 1 317 307 74 SER CB C 63.640 0.167 1 318 307 74 SER N N 116.593 0.039 1 319 308 75 LYS H H 8.411 0.007 1 320 308 75 LYS HA H 4.290 0.016 1 321 308 75 LYS C C 176.500 0.073 1 322 308 75 LYS CA C 56.550 0.167 1 323 308 75 LYS CB C 32.520 0.167 1 324 308 75 LYS N N 122.558 0.039 1 325 309 76 LEU H H 8.129 0.007 1 326 309 76 LEU HA H 4.300 0.016 1 327 309 76 LEU C C 177.100 0.073 1 328 309 76 LEU CA C 55.050 0.167 1 329 309 76 LEU CB C 42.270 0.167 1 330 309 76 LEU N N 122.172 0.039 1 331 310 77 GLU H H 8.320 0.007 1 332 310 77 GLU HA H 4.270 0.016 1 333 310 77 GLU C C 175.500 0.073 1 334 310 77 GLU CA C 56.100 0.167 1 335 310 77 GLU CB C 30.350 0.167 1 336 310 77 GLU N N 121.450 0.039 1 337 311 78 ALA H H 8.313 0.007 1 338 311 78 ALA HA H 4.560 0.016 1 339 311 78 ALA C C 175.100 0.073 1 340 311 78 ALA CA C 50.390 0.167 1 341 311 78 ALA CB C 18.240 0.167 1 342 311 78 ALA N N 126.059 0.039 1 343 312 79 PRO HA H 4.400 0.016 1 344 312 79 PRO C C 176.500 0.073 1 345 312 79 PRO CA C 62.850 0.167 1 346 312 79 PRO CB C 32.000 0.167 1 347 313 80 ALA H H 8.569 0.007 1 348 313 80 ALA HA H 4.320 0.016 1 349 313 80 ALA C C 178.100 0.073 1 350 313 80 ALA CA C 52.310 0.167 1 351 313 80 ALA CB C 19.160 0.167 1 352 313 80 ALA N N 124.622 0.039 1 353 314 81 GLU H H 8.589 0.007 1 354 314 81 GLU HA H 4.130 0.016 1 355 314 81 GLU C C 176.900 0.073 1 356 314 81 GLU CA C 57.510 0.167 1 357 314 81 GLU CB C 30.002 0.167 1 358 314 81 GLU N N 120.659 0.039 1 359 315 82 GLU H H 8.631 0.007 1 360 315 82 GLU HA H 4.180 0.016 1 361 315 82 GLU C C 176.700 0.073 1 362 315 82 GLU CA C 57.440 0.167 1 363 315 82 GLU CB C 30.000 0.167 1 364 315 82 GLU N N 120.115 0.039 1 365 316 83 ASP H H 8.199 0.007 1 366 316 83 ASP HA H 4.550 0.016 1 367 316 83 ASP C C 177.400 0.073 1 368 316 83 ASP CA C 54.770 0.167 1 369 316 83 ASP CB C 41.030 0.167 1 370 316 83 ASP N N 121.228 0.039 1 371 317 84 VAL H H 8.096 0.007 1 372 317 84 VAL HA H 3.310 0.016 1 373 317 84 VAL C C 175.800 0.073 1 374 317 84 VAL CA C 64.710 0.167 1 375 317 84 VAL CB C 31.040 0.167 1 376 317 84 VAL N N 121.668 0.039 1 377 318 85 TRP H H 7.706 0.007 1 378 318 85 TRP HA H 4.260 0.016 1 379 318 85 TRP C C 177.500 0.073 1 380 318 85 TRP CA C 59.610 0.167 1 381 318 85 TRP CB C 28.820 0.167 1 382 318 85 TRP N N 121.197 0.039 1 383 319 86 GLU H H 7.604 0.007 1 384 319 86 GLU HA H 4.050 0.016 1 385 319 86 GLU C C 178.500 0.073 1 386 319 86 GLU CA C 58.300 0.167 1 387 319 86 GLU CB C 29.260 0.167 1 388 319 86 GLU N N 117.895 0.039 1 389 320 87 ILE H H 7.428 0.007 1 390 320 87 ILE HA H 3.680 0.016 1 391 320 87 ILE C C 179.300 0.073 1 392 320 87 ILE CA C 64.350 0.167 1 393 320 87 ILE CB C 37.940 0.167 1 394 320 87 ILE N N 119.002 0.039 1 395 321 88 LEU H H 8.231 0.007 1 396 321 88 LEU HA H 3.850 0.016 1 397 321 88 LEU C C 178.600 0.073 1 398 321 88 LEU CA C 57.590 0.167 1 399 321 88 LEU CB C 41.990 0.167 1 400 321 88 LEU N N 119.705 0.039 1 401 322 89 ARG H H 8.068 0.007 1 402 322 89 ARG HA H 3.790 0.016 1 403 322 89 ARG C C 177.500 0.073 1 404 322 89 ARG CA C 59.180 0.167 1 405 322 89 ARG CB C 29.930 0.167 1 406 322 89 ARG N N 116.816 0.039 1 407 323 90 GLN H H 7.275 0.007 1 408 323 90 GLN HA H 4.420 0.016 1 409 323 90 GLN C C 175.300 0.073 1 410 323 90 GLN CA C 55.190 0.167 1 411 323 90 GLN CB C 29.880 0.167 1 412 323 90 GLN N N 114.097 0.039 1 413 324 91 ALA H H 7.634 0.007 1 414 324 91 ALA HA H 4.660 0.016 1 415 324 91 ALA C C 174.300 0.073 1 416 324 91 ALA CA C 50.400 0.167 1 417 324 91 ALA CB C 18.930 0.167 1 418 324 91 ALA N N 124.443 0.039 1 419 326 93 PRO HA H 3.820 0.016 1 420 326 93 PRO C C 178.300 0.073 1 421 326 93 PRO CA C 63.730 0.167 1 422 326 93 PRO CB C 31.790 0.167 1 423 327 94 SER H H 7.938 0.007 1 424 327 94 SER HA H 4.100 0.016 1 425 327 94 SER C C 175.800 0.073 1 426 327 94 SER CA C 60.170 0.167 1 427 327 94 SER CB C 62.070 0.167 1 428 327 94 SER N N 111.738 0.039 1 429 328 95 GLU H H 8.201 0.007 1 430 328 95 GLU HA H 4.530 0.016 1 431 328 95 GLU C C 176.500 0.073 1 432 328 95 GLU CA C 55.560 0.167 1 433 328 95 GLU CB C 30.710 0.167 1 434 328 95 GLU N N 119.807 0.039 1 435 329 96 TYR H H 7.458 0.007 1 436 329 96 TYR HA H 4.200 0.016 1 437 329 96 TYR C C 177.300 0.073 1 438 329 96 TYR CA C 58.690 0.167 1 439 329 96 TYR CB C 37.030 0.167 1 440 329 96 TYR N N 118.008 0.039 1 441 330 97 GLU H H 8.679 0.007 1 442 330 97 GLU HA H 3.870 0.016 1 443 330 97 GLU C C 178.500 0.073 1 444 330 97 GLU CA C 60.390 0.167 1 445 330 97 GLU CB C 28.900 0.167 1 446 330 97 GLU N N 117.216 0.039 1 447 331 98 ARG H H 8.201 0.007 1 448 331 98 ARG HA H 4.130 0.016 1 449 331 98 ARG C C 178.900 0.073 1 450 331 98 ARG CA C 59.360 0.167 1 451 331 98 ARG CB C 41.060 0.167 1 452 331 98 ARG N N 121.169 0.039 1 453 332 99 ILE H H 8.320 0.007 1 454 332 99 ILE HA H 3.830 0.016 1 455 332 99 ILE C C 178.400 0.073 1 456 332 99 ILE CA C 64.920 0.167 1 457 332 99 ILE CB C 38.310 0.167 1 458 332 99 ILE N N 120.544 0.039 1 459 333 100 ALA H H 8.709 0.007 1 460 333 100 ALA HA H 3.820 0.016 1 461 333 100 ALA C C 179.500 0.073 1 462 333 100 ALA CA C 55.640 0.167 1 463 333 100 ALA CB C 18.240 0.167 1 464 333 100 ALA N N 122.141 . 1 465 334 101 PHE H H 8.275 0.007 1 466 334 101 PHE HA H 4.350 0.016 1 467 334 101 PHE C C 179.400 0.073 1 468 334 101 PHE CA C 60.710 0.167 1 469 334 101 PHE CB C 38.870 0.167 1 470 334 101 PHE N N 118.102 0.039 1 471 335 102 GLN H H 8.382 0.007 1 472 335 102 GLN HA H 3.890 0.016 1 473 335 102 GLN C C 176.900 0.073 1 474 335 102 GLN CA C 58.130 0.167 1 475 335 102 GLN CB C 28.400 0.167 1 476 335 102 GLN N N 119.590 0.039 1 477 336 103 HIS H H 7.753 0.007 1 478 336 103 HIS HA H 4.500 0.016 1 479 336 103 HIS C C 174.800 0.073 1 480 336 103 HIS CA C 56.640 0.167 1 481 336 103 HIS CB C 30.340 0.167 1 482 336 103 HIS N N 114.779 0.039 1 483 337 104 GLY H H 7.698 0.007 1 484 337 104 GLY HA2 H 3.942 0.016 . 485 337 104 GLY HA3 H 3.942 0.016 . 486 337 104 GLY C C 174.400 0.073 1 487 337 104 GLY CA C 46.440 0.167 1 488 337 104 GLY N N 108.669 0.039 1 489 338 105 VAL H H 8.216 0.007 1 490 338 105 VAL HA H 4.000 0.016 1 491 338 105 VAL C C 175.900 0.073 1 492 338 105 VAL CA C 62.460 0.167 1 493 338 105 VAL CB C 32.060 0.167 1 494 338 105 VAL N N 120.862 0.039 1 495 339 106 THR H H 8.285 0.007 1 496 339 106 THR HA H 4.340 0.016 1 497 339 106 THR C C 174.800 0.073 1 498 339 106 THR CA C 62.500 0.167 1 499 339 106 THR CB C 69.300 0.167 1 500 339 106 THR N N 117.786 0.039 1 501 340 107 ASP H H 8.068 0.007 1 502 340 107 ASP HA H 4.280 0.016 1 503 340 107 ASP C C 175.800 0.073 1 504 340 107 ASP CA C 52.440 0.167 1 505 340 107 ASP CB C 40.020 0.167 1 506 340 107 ASP N N 122.147 0.039 1 507 341 108 LEU H H 8.520 0.007 1 508 341 108 LEU HA H 3.960 0.016 1 509 341 108 LEU C C 178.200 0.073 1 510 341 108 LEU CA C 57.540 0.167 1 511 341 108 LEU CB C 41.720 0.167 1 512 341 108 LEU N N 125.614 0.039 1 513 342 109 ARG H H 8.501 0.007 1 514 342 109 ARG HA H 3.930 0.016 1 515 342 109 ARG C C 179.500 0.073 1 516 342 109 ARG CA C 59.560 0.167 1 517 342 109 ARG CB C 29.550 0.167 1 518 342 109 ARG N N 118.141 0.039 1 519 343 110 GLY H H 8.353 0.007 1 520 343 110 GLY HA2 H 3.939 0.016 . 521 343 110 GLY HA3 H 3.939 0.016 . 522 343 110 GLY C C 176.300 0.073 1 523 343 110 GLY CA C 46.940 0.167 1 524 343 110 GLY N N 108.347 0.039 1 525 344 111 MET H H 7.984 0.007 1 526 344 111 MET HA H 4.170 0.016 1 527 344 111 MET C C 177.800 0.073 1 528 344 111 MET CA C 58.620 . 1 529 344 111 MET CB C 32.780 . 1 530 344 111 MET N N 122.736 0.039 1 531 345 112 LEU H H 8.340 0.007 1 532 345 112 LEU HA H 3.990 0.016 1 533 345 112 LEU C C 179.400 0.073 1 534 345 112 LEU CA C 57.640 0.167 1 535 345 112 LEU CB C 41.180 0.167 1 536 345 112 LEU N N 118.666 0.039 1 537 346 113 LYS H H 7.786 0.007 1 538 346 113 LYS HA H 4.040 0.016 1 539 346 113 LYS C C 179.000 0.073 1 540 346 113 LYS CA C 59.140 0.167 1 541 346 113 LYS CB C 32.340 0.167 1 542 346 113 LYS N N 119.190 0.039 1 543 347 114 ARG H H 7.786 0.007 1 544 347 114 ARG HA H 4.080 0.016 1 545 347 114 ARG C C 178.600 0.073 1 546 347 114 ARG CA C 58.370 0.167 1 547 347 114 ARG CB C 30.120 0.167 1 548 347 114 ARG N N 119.664 0.039 1 549 348 115 LEU H H 8.199 0.007 1 550 348 115 LEU HA H 4.130 0.016 1 551 348 115 LEU C C 178.500 0.073 1 552 348 115 LEU CA C 57.000 0.167 1 553 348 115 LEU CB C 42.110 0.167 1 554 348 115 LEU N N 120.259 0.039 1 555 349 116 LYS H H 7.974 0.007 1 556 349 116 LYS HA H 4.150 0.016 1 557 349 116 LYS C C 178.000 0.073 1 558 349 116 LYS CA C 57.890 0.167 1 559 349 116 LYS CB C 32.370 0.167 1 560 349 116 LYS N N 119.011 0.039 1 561 350 117 GLY H H 7.903 0.007 1 562 350 117 GLY HA2 H 4.153 0.016 . 563 350 117 GLY HA3 H 4.153 0.016 . 564 350 117 GLY C C 174.600 0.073 1 565 350 117 GLY CA C 45.670 0.167 1 566 350 117 GLY N N 106.846 0.039 1 567 351 118 MET H H 7.884 0.007 1 568 351 118 MET HA H 4.380 0.016 1 569 351 118 MET C C 176.500 0.073 1 570 351 118 MET CA C 56.230 0.167 1 571 351 118 MET CB C 33.180 0.167 1 572 351 118 MET N N 119.551 0.039 1 573 352 119 LYS H H 8.239 0.007 1 574 352 119 LYS HA H 4.290 0.016 1 575 352 119 LYS C C 176.700 0.073 1 576 352 119 LYS CA C 56.470 0.167 1 577 352 119 LYS CB C 32.750 0.167 1 578 352 119 LYS N N 121.578 0.039 1 579 353 120 GLN H H 8.432 0.007 1 580 353 120 GLN HA H 4.300 0.016 1 581 353 120 GLN C C 175.800 0.073 1 582 353 120 GLN CA C 56.100 0.167 1 583 353 120 GLN CB C 29.380 0.167 1 584 353 120 GLN N N 121.539 0.039 1 585 354 121 ASP H H 8.418 0.007 1 586 354 121 ASP HA H 4.580 0.016 1 587 354 121 ASP C C 176.100 0.073 1 588 354 121 ASP CA C 54.470 0.167 1 589 354 121 ASP CB C 41.050 0.167 1 590 354 121 ASP N N 121.262 0.039 1 591 355 122 GLU H H 8.295 0.007 1 592 355 122 GLU HA H 4.250 0.016 1 593 355 122 GLU C C 176.100 0.073 1 594 355 122 GLU CA C 56.530 0.167 1 595 355 122 GLU CB C 30.350 0.167 1 596 355 122 GLU N N 121.272 0.039 1 597 356 123 LYS H H 8.384 0.007 1 598 356 123 LYS HA H 4.310 0.016 1 599 356 123 LYS C C 175.500 0.073 1 600 356 123 LYS CA C 56.240 0.167 1 601 356 123 LYS CB C 32.630 0.167 1 602 356 123 LYS N N 123.191 0.039 1 603 357 124 LYS H H 8.030 0.007 1 604 357 124 LYS HA H 4.160 0.016 1 605 357 124 LYS C C 181.300 0.073 1 606 357 124 LYS CA C 57.490 0.167 1 607 357 124 LYS CB C 33.680 0.167 1 608 357 124 LYS N N 128.550 0.039 1 stop_ save_