data_19037 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments of h-prune C-terminal domain ; _BMRB_accession_number 19037 _BMRB_flat_file_name bmr19037.str _Entry_type original _Submission_date 2013-02-14 _Accession_date 2013-02-14 _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 Diana Donatella . . 2 Fattorusso Roberto . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 199 "13C chemical shifts" 247 "15N chemical shifts" 86 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-03-12 update BMRB 'update entry citation' 2013-03-04 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Neuroblastoma tumorigenesis is regulated through the Nm23-H1/h-Prune C-terminal interaction.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23448979 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Carotenuto Marianeve . . 2 Pedone Emilia . . 3 Diana Donatella . . 4 'de Antonellis' Pasqualino . . 5 Deroski Sao . . 6 Marino Natascia . . 7 Navas Luigi . . 8 'Di Dato' Valeria . . 9 Scoppettuolo 'Maria Nunzia' . . 10 Cimmino Flora . . 11 Correale Stefania . . 12 Pirone Luciano . . 13 Monti 'Simona Maria' . . 14 Bruder Elisabeth . . 15 Zenko Bernard . . 16 Slavkov Ivica . . 17 Pastorino Fabio . . 18 Ponzoni Mirco . . 19 Schulte Johannes H. . 20 Schramm Alexander . . 21 Eggert Angelika . . 22 Westermann Frank . . 23 Arrigoni Gianluigi . . 24 Accordi Benedetta . . 25 Basso Giuseppe . . 26 Saviano Michele . . 27 Fattorusso Roberto . . 28 Zollo Massimo . . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_name_full 'Scientific reports' _Journal_volume 3 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1351 _Page_last 1351 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'h-prune C-terminal domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'h-prune C-terminal domain' $h-prune_C-terminal_domain stop_ _System_molecular_weight . _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_h-prune_C-terminal_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common h-prune_C-terminal_domain _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 100 _Mol_residue_sequence ; LLQEALSAYFDSMKIPSGQP ETADVSREQVDKELDRASNS LISGLSQDEEDPPLPPTPMN SLVDECPLDQGLPKLSAEAV FEKCSQISLSQSTTASLSKK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 354 LEU 2 355 LEU 3 356 GLN 4 357 GLU 5 358 ALA 6 359 LEU 7 360 SER 8 361 ALA 9 362 TYR 10 363 PHE 11 364 ASP 12 365 SER 13 366 MET 14 367 LYS 15 368 ILE 16 369 PRO 17 370 SER 18 371 GLY 19 372 GLN 20 373 PRO 21 374 GLU 22 375 THR 23 376 ALA 24 377 ASP 25 378 VAL 26 379 SER 27 380 ARG 28 381 GLU 29 382 GLN 30 383 VAL 31 384 ASP 32 385 LYS 33 386 GLU 34 387 LEU 35 388 ASP 36 389 ARG 37 390 ALA 38 391 SER 39 392 ASN 40 393 SER 41 394 LEU 42 395 ILE 43 396 SER 44 397 GLY 45 398 LEU 46 399 SER 47 400 GLN 48 401 ASP 49 402 GLU 50 403 GLU 51 404 ASP 52 405 PRO 53 406 PRO 54 407 LEU 55 408 PRO 56 409 PRO 57 410 THR 58 411 PRO 59 412 MET 60 413 ASN 61 414 SER 62 415 LEU 63 416 VAL 64 417 ASP 65 418 GLU 66 419 CYS 67 420 PRO 68 421 LEU 69 422 ASP 70 423 GLN 71 424 GLY 72 425 LEU 73 426 PRO 74 427 LYS 75 428 LEU 76 429 SER 77 430 ALA 78 431 GLU 79 432 ALA 80 433 VAL 81 434 PHE 82 435 GLU 83 436 LYS 84 437 CYS 85 438 SER 86 439 GLN 87 440 ILE 88 441 SER 89 442 LEU 90 443 SER 91 444 GLN 92 445 SER 93 446 THR 94 447 THR 95 448 ALA 96 449 SER 97 450 LEU 98 451 SER 99 452 LYS 100 453 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 DBJ BAB55423 "unnamed protein product [Homo sapiens]" 100.00 218 100.00 100.00 1.97e-61 DBJ BAG37575 "unnamed protein product [Homo sapiens]" 100.00 453 100.00 100.00 2.23e-59 DBJ BAG57478 "unnamed protein product [Homo sapiens]" 100.00 221 100.00 100.00 7.54e-62 DBJ BAG60534 "unnamed protein product [Homo sapiens]" 100.00 221 100.00 100.00 7.54e-62 DBJ BAH14908 "unnamed protein product [Homo sapiens]" 100.00 169 100.00 100.00 3.90e-62 EMBL CAH56396 "hypothetical protein [Homo sapiens]" 86.00 86 100.00 100.00 1.08e-51 GB AAC95290 "PRUNE-like protein [Homo sapiens]" 100.00 453 100.00 100.00 2.23e-59 GB AAF04914 "TcD37 homolog, partial [Homo sapiens]" 100.00 435 100.00 100.00 1.66e-59 GB AAH14886 "PRUNE protein [Homo sapiens]" 100.00 271 100.00 100.00 3.93e-61 GB AAH25304 "Prune homolog (Drosophila) [Homo sapiens]" 100.00 453 100.00 100.00 2.23e-59 GB AAH63481 "PRUNE protein [Homo sapiens]" 100.00 168 100.00 100.00 3.21e-62 REF NP_001267140 "protein prune homolog [Pan troglodytes]" 100.00 453 100.00 100.00 1.98e-59 REF NP_001290158 "protein prune homolog isoform 2 [Homo sapiens]" 100.00 271 100.00 100.00 3.93e-61 REF NP_001290171 "protein prune homolog isoform 3 [Homo sapiens]" 100.00 400 100.00 100.00 1.27e-59 REF NP_001290172 "protein prune homolog isoform 4 [Homo sapiens]" 100.00 252 100.00 100.00 7.21e-62 REF NP_067045 "protein prune homolog isoform 1 [Homo sapiens]" 100.00 453 100.00 100.00 2.23e-59 SP Q86TP1 "RecName: Full=Protein prune homolog; Short=hPrune; AltName: Full=Drosophila-related expressed sequence 17; Short=DRES-17; Short" 100.00 453 100.00 100.00 2.23e-59 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $h-prune_C-terminal_domain Human 9606 Eukaryota Metazoa Homo sapiens 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 $h-prune_C-terminal_domain 'recombinant technology' . Escherichia coli . pETM11 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 $h-prune_C-terminal_domain 0.6 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version '1.5, 1.8' 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 Varian _Model INOVA _Field_strength 600 _Details 'NMR spectrometer equipped with a cold probe' 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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCACO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNHA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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' 10 . mM pH 7 . 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' '3D HNCO' '3D HCACO' '3D HNCACB' '3D CBCA(CO)NH' '3D HNHA' '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 'h-prune C-terminal 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 1 354 1 LEU H H 8.304 0.020 1 2 354 1 LEU HA H 4.366 0.020 1 3 354 1 LEU C C 177.098 0.300 1 4 354 1 LEU CA C 55.700 0.300 1 5 354 1 LEU CB C 42.400 0.300 1 6 354 1 LEU N N 124.484 0.300 1 7 355 2 LEU H H 8.708 0.020 1 8 355 2 LEU HA H 4.207 0.020 1 9 355 2 LEU C C 177.181 0.300 1 10 355 2 LEU CA C 55.790 0.300 1 11 355 2 LEU CB C 41.564 0.300 1 12 355 2 LEU N N 122.308 0.300 1 13 356 3 GLN H H 8.163 0.020 1 14 356 3 GLN HA H 4.171 0.020 1 15 356 3 GLN C C 177.770 0.300 1 16 356 3 GLN CA C 56.813 0.300 1 17 356 3 GLN CB C 29.033 0.300 1 18 356 3 GLN N N 122.438 0.300 1 19 357 4 GLU H H 8.305 0.020 1 20 357 4 GLU HA H 4.033 0.020 1 21 357 4 GLU C C 176.326 0.300 1 22 357 4 GLU CA C 57.868 0.300 1 23 357 4 GLU CB C 29.645 0.300 1 24 357 4 GLU N N 123.374 0.300 1 25 358 5 ALA H H 8.319 0.020 1 26 358 5 ALA HA H 4.135 0.020 1 27 358 5 ALA C C 177.989 0.300 1 28 358 5 ALA CA C 53.591 0.300 1 29 358 5 ALA CB C 18.558 0.300 1 30 358 5 ALA N N 124.584 0.300 1 31 359 6 LEU H H 8.177 0.020 1 32 359 6 LEU HA H 4.082 0.020 1 33 359 6 LEU C C 177.251 0.300 1 34 359 6 LEU CA C 55.899 0.300 1 35 359 6 LEU CB C 41.851 0.300 1 36 359 6 LEU N N 123.010 0.300 1 37 360 7 SER H H 8.133 0.020 1 38 360 7 SER HA H 4.292 0.020 1 39 360 7 SER C C 175.138 0.300 1 40 360 7 SER CA C 59.003 0.300 1 41 360 7 SER CB C 63.675 0.300 1 42 360 7 SER N N 117.437 0.300 1 43 361 8 ALA H H 8.353 0.020 1 44 361 8 ALA HA H 4.122 0.020 1 45 361 8 ALA C C 178.189 0.300 1 46 361 8 ALA CA C 53.351 0.300 1 47 361 8 ALA CB C 18.767 0.300 1 48 361 8 ALA N N 126.455 0.300 1 49 362 9 TYR H H 7.935 0.020 1 50 362 9 TYR HA H 4.367 0.020 1 51 362 9 TYR HB2 H 2.365 0.020 2 52 362 9 TYR HB3 H 2.333 0.020 2 53 362 9 TYR C C 176.000 0.300 1 54 362 9 TYR CA C 58.303 0.300 1 55 362 9 TYR CB C 39.057 0.300 1 56 362 9 TYR N N 120.330 0.300 1 57 363 10 PHE H H 8.202 0.020 1 58 363 10 PHE HA H 4.308 0.020 1 59 363 10 PHE HB2 H 3.000 0.020 2 60 363 10 PHE HB3 H 2.988 0.020 2 61 363 10 PHE C C 175.949 0.300 1 62 363 10 PHE CA C 58.525 0.300 1 63 363 10 PHE CB C 39.690 0.300 1 64 363 10 PHE N N 124.166 0.300 1 65 364 11 ASP H H 8.008 0.020 1 66 364 11 ASP HA H 4.315 0.020 1 67 364 11 ASP C C 176.716 0.300 1 68 364 11 ASP CA C 55.065 0.300 1 69 364 11 ASP CB C 40.564 0.300 1 70 364 11 ASP N N 120.959 0.300 1 71 365 12 SER H H 8.105 0.020 1 72 365 12 SER HA H 4.315 0.020 1 73 365 12 SER HB2 H 3.828 0.020 1 74 365 12 SER HB3 H 3.828 0.020 1 75 365 12 SER C C 175.017 0.300 1 76 365 12 SER CA C 58.949 0.300 1 77 365 12 SER CB C 63.722 0.300 1 78 365 12 SER N N 118.059 0.300 1 79 366 13 MET H H 8.369 0.020 1 80 366 13 MET HA H 4.403 0.020 1 81 366 13 MET C C 176.559 0.300 1 82 366 13 MET CA C 56.200 0.300 1 83 366 13 MET CB C 32.987 0.300 1 84 366 13 MET N N 122.633 0.300 1 85 367 14 LYS H H 8.263 0.020 1 86 367 14 LYS HA H 4.250 0.020 1 87 367 14 LYS C C 176.589 0.300 1 88 367 14 LYS CA C 57.006 0.300 1 89 367 14 LYS CB C 32.787 0.300 1 90 367 14 LYS N N 121.477 0.300 1 91 368 15 ILE H H 7.996 0.020 1 92 368 15 ILE HA H 4.242 0.020 1 93 368 15 ILE C C 175.830 0.300 1 94 368 15 ILE CA C 61.565 0.300 1 95 368 15 ILE CB C 38.623 0.300 1 96 368 15 ILE N N 122.026 0.300 1 97 369 16 PRO HA H 4.387 0.020 1 98 369 16 PRO CA C 63.297 0.300 1 99 369 16 PRO CB C 31.720 0.300 1 100 370 17 SER H H 8.392 0.020 1 101 370 17 SER HA H 4.460 0.020 1 102 370 17 SER C C 174.682 0.300 1 103 370 17 SER CA C 58.700 0.300 1 104 370 17 SER CB C 63.834 0.300 1 105 370 17 SER N N 119.600 0.300 1 106 371 18 GLY H H 8.446 0.020 1 107 371 18 GLY HA2 H 3.963 0.020 1 108 371 18 GLY HA3 H 3.963 0.020 1 109 371 18 GLY C C 174.214 0.300 1 110 371 18 GLY CA C 45.310 0.300 1 111 371 18 GLY N N 113.543 0.300 1 112 372 19 GLN H H 8.125 0.020 1 113 372 19 GLN HA H 4.231 0.020 1 114 372 19 GLN C C 176.355 0.300 1 115 372 19 GLN CA C 56.574 0.300 1 116 372 19 GLN CB C 29.172 0.300 1 117 372 19 GLN N N 121.252 0.300 1 118 373 20 PRO HA H 4.355 0.020 1 119 373 20 PRO CA C 63.325 0.300 1 120 373 20 PRO CB C 31.719 0.300 1 121 374 21 GLU H H 8.423 0.020 1 122 374 21 GLU HA H 4.258 0.020 1 123 374 21 GLU C C 177.032 0.300 1 124 374 21 GLU CA C 57.366 0.300 1 125 374 21 GLU CB C 28.915 0.300 1 126 374 21 GLU N N 121.976 0.300 1 127 375 22 THR H H 8.215 0.020 1 128 375 22 THR HA H 4.437 0.020 1 129 375 22 THR C C 174.630 0.300 1 130 375 22 THR CA C 61.123 0.300 1 131 375 22 THR CB C 69.690 0.300 1 132 375 22 THR N N 116.656 0.300 1 133 376 23 ALA H H 8.275 0.020 1 134 376 23 ALA HA H 4.222 0.020 1 135 376 23 ALA C C 177.733 0.300 1 136 376 23 ALA CA C 53.120 0.300 1 137 376 23 ALA CB C 19.000 0.300 1 138 376 23 ALA N N 126.361 0.300 1 139 377 24 ASP H H 8.356 0.020 1 140 377 24 ASP HA H 4.588 0.020 1 141 377 24 ASP C C 176.400 0.300 1 142 377 24 ASP CA C 54.682 0.300 1 143 377 24 ASP CB C 40.719 0.300 1 144 377 24 ASP N N 121.224 0.300 1 145 378 25 VAL H H 7.928 0.020 1 146 378 25 VAL HA H 4.108 0.020 1 147 378 25 VAL C C 175.625 0.300 1 148 378 25 VAL CA C 62.490 0.300 1 149 378 25 VAL CB C 32.700 0.300 1 150 378 25 VAL N N 119.866 0.300 1 151 379 26 SER H H 8.439 0.020 1 152 379 26 SER HA H 4.440 0.020 1 153 379 26 SER C C 174.592 0.300 1 154 379 26 SER CA C 58.690 0.300 1 155 379 26 SER CB C 63.777 0.300 1 156 379 26 SER N N 120.416 0.300 1 157 380 27 ARG H H 8.319 0.020 1 158 380 27 ARG HA H 4.239 0.020 1 159 380 27 ARG C C 176.500 0.300 1 160 380 27 ARG CA C 56.877 0.300 1 161 380 27 ARG CB C 30.559 0.300 1 162 380 27 ARG N N 123.743 0.300 1 163 381 28 GLU H H 8.485 0.020 1 164 381 28 GLU HA H 4.200 0.020 1 165 381 28 GLU CA C 57.633 0.300 1 166 381 28 GLU CB C 29.899 0.300 1 167 381 28 GLU N N 125.397 0.300 1 168 382 29 GLN H H 8.289 0.020 1 169 382 29 GLN HA H 4.221 0.020 1 170 382 29 GLN C C 176.459 0.300 1 171 382 29 GLN CA C 56.781 0.300 1 172 382 29 GLN CB C 29.085 0.300 1 173 382 29 GLN N N 122.811 0.300 1 174 383 30 VAL H H 8.114 0.020 1 175 383 30 VAL HA H 4.107 0.020 1 176 383 30 VAL C C 175.690 0.300 1 177 383 30 VAL CA C 62.545 0.300 1 178 383 30 VAL CB C 32.345 0.300 1 179 383 30 VAL N N 122.156 0.300 1 180 384 31 ASP H H 8.439 0.020 1 181 384 31 ASP HA H 4.499 0.020 1 182 384 31 ASP C C 176.450 0.300 1 183 384 31 ASP CA C 54.782 0.300 1 184 384 31 ASP CB C 40.956 0.300 1 185 384 31 ASP N N 124.019 0.300 1 186 385 32 LYS H H 8.358 0.020 1 187 385 32 LYS HA H 4.210 0.020 1 188 385 32 LYS C C 176.805 0.300 1 189 385 32 LYS CA C 57.075 0.300 1 190 385 32 LYS CB C 31.617 0.300 1 191 385 32 LYS N N 122.064 0.300 1 192 386 33 GLU H H 8.342 0.020 1 193 386 33 GLU HA H 4.164 0.020 1 194 386 33 GLU C C 176.210 0.300 1 195 386 33 GLU CA C 57.652 0.300 1 196 386 33 GLU CB C 29.862 0.300 1 197 386 33 GLU N N 121.636 0.300 1 198 387 34 LEU H H 7.919 0.020 1 199 387 34 LEU HA H 4.239 0.020 1 200 387 34 LEU C C 177.221 0.300 1 201 387 34 LEU CA C 55.745 0.300 1 202 387 34 LEU CB C 42.182 0.300 1 203 387 34 LEU N N 122.679 0.300 1 204 388 35 ASP H H 7.826 0.020 1 205 388 35 ASP HA H 4.530 0.020 1 206 388 35 ASP C C 176.689 0.300 1 207 388 35 ASP CA C 54.867 0.300 1 208 388 35 ASP CB C 40.660 0.300 1 209 388 35 ASP N N 122.983 0.300 1 210 389 36 ARG H H 7.986 0.020 1 211 389 36 ARG HA H 4.314 0.020 1 212 389 36 ARG C C 176.604 0.300 1 213 389 36 ARG CA C 56.896 0.300 1 214 389 36 ARG CB C 30.707 0.300 1 215 389 36 ARG N N 122.655 0.300 1 216 390 37 ALA H H 8.119 0.020 1 217 390 37 ALA HA H 4.241 0.020 1 218 390 37 ALA C C 177.753 0.300 1 219 390 37 ALA CA C 53.274 0.300 1 220 390 37 ALA CB C 18.947 0.300 1 221 390 37 ALA N N 123.603 0.300 1 222 391 38 SER H H 8.155 0.020 1 223 391 38 SER HA H 4.497 0.020 1 224 391 38 SER C C 174.704 0.300 1 225 391 38 SER CA C 58.744 0.300 1 226 391 38 SER CB C 63.806 0.300 1 227 391 38 SER N N 117.080 0.300 1 228 392 39 ASN H H 8.231 0.020 1 229 392 39 ASN HA H 4.700 0.020 1 230 392 39 ASN C C 175.353 0.300 1 231 392 39 ASN CA C 53.482 0.300 1 232 392 39 ASN N N 117.593 0.300 1 233 393 40 SER H H 8.323 0.020 1 234 393 40 SER HA H 4.430 0.020 1 235 393 40 SER C C 174.644 0.300 1 236 393 40 SER CA C 58.670 0.300 1 237 393 40 SER CB C 63.890 0.300 1 238 393 40 SER N N 118.099 0.300 1 239 394 41 LEU H H 8.280 0.020 1 240 394 41 LEU HA H 4.330 0.020 1 241 394 41 LEU C C 177.070 0.300 1 242 394 41 LEU CA C 55.635 0.300 1 243 394 41 LEU CB C 42.235 0.300 1 244 394 41 LEU N N 124.084 0.300 1 245 395 42 ILE H H 8.019 0.020 1 246 395 42 ILE HA H 4.200 0.020 1 247 395 42 ILE C C 175.943 0.300 1 248 395 42 ILE CA C 61.583 0.300 1 249 395 42 ILE CB C 38.623 0.300 1 250 395 42 ILE N N 121.889 0.300 1 251 396 43 SER H H 8.362 0.020 1 252 396 43 SER HA H 4.490 0.020 1 253 396 43 SER C C 174.699 0.300 1 254 396 43 SER CA C 59.381 0.300 1 255 396 43 SER CB C 63.831 0.300 1 256 396 43 SER N N 119.566 0.300 1 257 397 44 GLY H H 8.396 0.020 1 258 397 44 GLY HA2 H 3.937 0.020 1 259 397 44 GLY HA3 H 3.937 0.020 1 260 397 44 GLY CA C 45.291 0.300 1 261 397 44 GLY N N 113.557 0.300 1 262 398 45 LEU H H 8.312 0.020 1 263 398 45 LEU HA H 4.272 0.020 1 264 398 45 LEU C C 177.032 0.300 1 265 398 45 LEU CA C 55.732 0.300 1 266 398 45 LEU CB C 42.276 0.300 1 267 398 45 LEU N N 121.779 0.300 1 268 399 46 SER H H 8.287 0.020 1 269 399 46 SER HA H 4.450 0.020 1 270 399 46 SER C C 174.710 0.300 1 271 399 46 SER CA C 58.670 0.300 1 272 399 46 SER N N 120.135 0.300 1 273 400 47 GLN H H 8.530 0.020 1 274 400 47 GLN HA H 4.299 0.020 1 275 400 47 GLN C C 176.366 0.300 1 276 400 47 GLN CA C 56.555 0.300 1 277 400 47 GLN N N 123.112 0.300 1 278 401 48 ASP H H 8.396 0.020 1 279 401 48 ASP HA H 4.604 0.020 1 280 401 48 ASP C C 176.494 0.300 1 281 401 48 ASP N N 119.172 0.300 1 282 402 49 GLU H H 8.303 0.020 1 283 402 49 GLU HA H 4.211 0.020 1 284 402 49 GLU C C 177.040 0.300 1 285 402 49 GLU CA C 56.441 0.300 1 286 402 49 GLU CB C 28.977 0.300 1 287 402 49 GLU N N 121.976 0.300 1 288 403 50 GLU H H 8.203 0.020 1 289 403 50 GLU N N 121.114 0.300 1 290 412 59 MET H H 8.231 0.020 1 291 412 59 MET HA H 4.372 0.020 1 292 412 59 MET C C 176.660 0.300 1 293 412 59 MET CA C 56.121 0.300 1 294 412 59 MET CB C 33.164 0.300 1 295 412 59 MET N N 122.589 0.300 1 296 413 60 ASN H H 8.476 0.020 1 297 413 60 ASN HA H 4.622 0.020 1 298 413 60 ASN C C 175.371 0.300 1 299 413 60 ASN CA C 53.599 0.300 1 300 413 60 ASN CB C 38.666 0.300 1 301 413 60 ASN N N 121.051 0.300 1 302 414 61 SER H H 8.250 0.020 1 303 414 61 SER HA H 4.495 0.020 1 304 414 61 SER C C 175.681 0.300 1 305 414 61 SER CA C 58.626 0.300 1 306 414 61 SER CB C 63.820 0.300 1 307 414 61 SER N N 121.747 0.300 1 308 415 62 LEU H H 8.174 0.020 1 309 415 62 LEU HA H 4.302 0.020 1 310 415 62 LEU C C 177.112 0.300 1 311 415 62 LEU CA C 55.626 0.300 1 312 415 62 LEU CB C 42.267 0.300 1 313 415 62 LEU N N 117.903 0.300 1 314 416 63 VAL H H 8.353 0.020 1 315 416 63 VAL HA H 4.166 0.020 1 316 416 63 VAL CA C 62.448 0.300 1 317 416 63 VAL CB C 32.650 0.300 1 318 416 63 VAL N N 120.855 0.300 1 319 417 64 ASP H H 8.516 0.020 1 320 417 64 ASP HA H 4.663 0.020 1 321 417 64 ASP C C 176.446 0.300 1 322 417 64 ASP CA C 54.588 0.300 1 323 417 64 ASP CB C 40.816 0.300 1 324 417 64 ASP N N 122.979 0.300 1 325 418 65 GLU H H 8.069 0.020 1 326 418 65 GLU HA H 4.267 0.020 1 327 418 65 GLU C C 177.039 0.300 1 328 418 65 GLU CA C 57.452 0.300 1 329 418 65 GLU CB C 29.962 0.300 1 330 418 65 GLU N N 122.277 0.300 1 331 419 66 CYS H H 7.980 0.020 1 332 419 66 CYS HA H 4.565 0.020 1 333 419 66 CYS HB2 H 3.010 0.020 1 334 419 66 CYS HB3 H 3.010 0.020 1 335 419 66 CYS C C 174.806 0.300 1 336 419 66 CYS CA C 57.669 0.300 1 337 419 66 CYS CB C 33.955 0.300 1 338 419 66 CYS N N 128.006 0.300 1 339 420 67 PRO HA H 4.405 0.020 1 340 420 67 PRO C C 176.729 0.300 1 341 420 67 PRO CA C 62.287 0.300 1 342 420 67 PRO CB C 31.671 0.300 1 343 421 68 LEU H H 8.085 0.020 1 344 421 68 LEU HA H 4.320 0.020 1 345 421 68 LEU C C 176.077 0.300 1 346 421 68 LEU CA C 55.719 0.300 1 347 421 68 LEU CB C 42.200 0.300 1 348 421 68 LEU N N 121.338 0.300 1 349 422 69 ASP H H 8.288 0.020 1 350 422 69 ASP HA H 4.538 0.020 1 351 422 69 ASP C C 175.617 0.300 1 352 422 69 ASP CA C 54.599 0.300 1 353 422 69 ASP CB C 41.084 0.300 1 354 422 69 ASP N N 122.424 0.300 1 355 423 70 GLN H H 8.108 0.020 1 356 423 70 GLN HA H 4.270 0.020 1 357 423 70 GLN C C 177.765 0.300 1 358 423 70 GLN CA C 56.611 0.300 1 359 423 70 GLN CB C 29.108 0.300 1 360 423 70 GLN N N 122.964 0.300 1 361 424 71 GLY H H 8.521 0.020 1 362 424 71 GLY HA2 H 3.972 0.020 1 363 424 71 GLY HA3 H 3.972 0.020 1 364 424 71 GLY C C 174.071 0.300 1 365 424 71 GLY CA C 45.381 0.300 1 366 424 71 GLY N N 111.725 0.300 1 367 425 72 LEU H H 8.300 0.020 1 368 425 72 LEU HA H 4.277 0.020 1 369 425 72 LEU C C 177.254 0.300 1 370 425 72 LEU CA C 55.752 0.300 1 371 425 72 LEU CB C 42.276 0.300 1 372 425 72 LEU N N 124.168 0.300 1 373 426 73 PRO HA H 4.385 0.020 1 374 426 73 PRO C C 176.933 0.300 1 375 426 73 PRO CA C 63.453 0.300 1 376 426 73 PRO CB C 31.652 0.300 1 377 427 74 LYS H H 8.565 0.020 1 378 427 74 LYS HA H 4.266 0.020 1 379 427 74 LYS C C 176.966 0.300 1 380 427 74 LYS CA C 57.058 0.300 1 381 427 74 LYS CB C 32.650 0.300 1 382 427 74 LYS N N 125.115 0.300 1 383 428 75 LEU H H 7.896 0.020 1 384 428 75 LEU HA H 4.044 0.020 1 385 428 75 LEU C C 177.311 0.300 1 386 428 75 LEU CA C 56.104 0.300 1 387 428 75 LEU CB C 41.936 0.300 1 388 428 75 LEU N N 122.336 0.300 1 389 429 76 SER H H 8.449 0.020 1 390 429 76 SER HA H 4.338 0.020 1 391 429 76 SER HB2 H 3.795 0.020 1 392 429 76 SER HB3 H 3.795 0.020 1 393 429 76 SER C C 174.771 0.300 1 394 429 76 SER CA C 58.949 0.300 1 395 429 76 SER CB C 63.620 0.300 1 396 429 76 SER N N 118.152 0.300 1 397 430 77 ALA H H 8.064 0.020 1 398 430 77 ALA HA H 4.070 0.020 1 399 430 77 ALA C C 177.975 0.300 1 400 430 77 ALA CA C 53.423 0.300 1 401 430 77 ALA CB C 18.684 0.300 1 402 430 77 ALA N N 124.970 0.300 1 403 431 78 GLU H H 8.038 0.020 1 404 431 78 GLU HA H 4.020 0.020 1 405 431 78 GLU C C 177.177 0.300 1 406 431 78 GLU CA C 57.828 0.300 1 407 431 78 GLU CB C 29.754 0.300 1 408 431 78 GLU N N 124.177 0.300 1 409 432 79 ALA H H 8.113 0.020 1 410 432 79 ALA HA H 3.999 0.020 1 411 432 79 ALA HB H 1.409 0.020 1 412 432 79 ALA C C 178.167 0.300 1 413 432 79 ALA CA C 53.299 0.300 1 414 432 79 ALA N N 124.208 0.300 1 415 433 80 VAL H H 7.875 0.020 1 416 433 80 VAL HA H 4.065 0.020 1 417 433 80 VAL HB H 2.031 0.020 1 418 433 80 VAL C C 176.070 0.300 1 419 433 80 VAL CA C 62.656 0.300 1 420 433 80 VAL CB C 32.510 0.300 1 421 433 80 VAL N N 118.673 0.300 1 422 434 81 PHE H H 7.940 0.020 1 423 434 81 PHE HA H 4.505 0.020 1 424 434 81 PHE HB2 H 2.933 0.020 1 425 434 81 PHE HB3 H 2.933 0.020 1 426 434 81 PHE C C 176.503 0.300 1 427 434 81 PHE CA C 58.564 0.300 1 428 434 81 PHE CB C 39.688 0.300 1 429 434 81 PHE N N 121.282 0.300 1 430 435 82 GLU H H 8.650 0.020 1 431 435 82 GLU HA H 4.134 0.020 1 432 435 82 GLU HB2 H 1.988 0.020 1 433 435 82 GLU HB3 H 1.988 0.020 1 434 435 82 GLU C C 177.198 0.300 1 435 435 82 GLU CA C 57.742 0.300 1 436 435 82 GLU CB C 29.552 0.300 1 437 435 82 GLU N N 120.477 0.300 1 438 436 83 LYS H H 7.957 0.020 1 439 436 83 LYS HA H 4.164 0.020 1 440 436 83 LYS HB2 H 1.795 0.020 1 441 436 83 LYS C C 177.000 0.300 1 442 436 83 LYS CA C 57.274 0.300 1 443 436 83 LYS CB C 32.299 0.300 1 444 436 83 LYS N N 121.663 0.300 1 445 437 84 CYS H H 8.237 0.020 1 446 437 84 CYS HA H 4.421 0.020 1 447 437 84 CYS HB2 H 2.398 0.020 1 448 437 84 CYS HB3 H 2.398 0.020 1 449 437 84 CYS C C 175.121 0.300 1 450 437 84 CYS CA C 57.998 0.300 1 451 437 84 CYS CB C 33.450 0.300 1 452 437 84 CYS N N 122.516 0.300 1 453 438 85 SER H H 8.431 0.020 1 454 438 85 SER HA H 4.376 0.020 1 455 438 85 SER HB2 H 3.858 0.020 1 456 438 85 SER HB3 H 3.858 0.020 1 457 438 85 SER C C 175.765 0.300 1 458 438 85 SER CA C 59.000 0.300 1 459 438 85 SER CB C 63.616 0.300 1 460 438 85 SER N N 118.689 0.300 1 461 439 86 GLN H H 8.333 0.020 1 462 439 86 GLN HA H 4.143 0.020 1 463 439 86 GLN C C 175.453 0.300 1 464 439 86 GLN CA C 56.804 0.300 1 465 439 86 GLN CB C 33.888 0.300 1 466 439 86 GLN CG C 33.888 0.300 1 467 439 86 GLN N N 122.708 0.300 1 468 440 87 ILE H H 7.878 0.020 1 469 440 87 ILE HA H 4.074 0.020 1 470 440 87 ILE C C 176.053 0.300 1 471 440 87 ILE CA C 61.655 0.300 1 472 440 87 ILE CB C 38.481 0.300 1 473 440 87 ILE N N 121.517 0.300 1 474 441 88 SER H H 8.299 0.020 1 475 441 88 SER HA H 4.595 0.020 1 476 441 88 SER C C 174.678 0.300 1 477 441 88 SER CA C 58.668 0.300 1 478 441 88 SER CB C 63.877 0.300 1 479 441 88 SER N N 118.978 0.300 1 480 442 89 LEU H H 8.427 0.020 1 481 442 89 LEU HA H 4.278 0.020 1 482 442 89 LEU C C 176.985 0.300 1 483 442 89 LEU CA C 55.688 0.300 1 484 442 89 LEU CB C 42.256 0.300 1 485 442 89 LEU N N 124.292 0.300 1 486 443 90 SER H H 8.252 0.020 1 487 443 90 SER HA H 4.517 0.020 1 488 443 90 SER C C 174.677 0.300 1 489 443 90 SER CA C 58.648 0.300 1 490 443 90 SER CB C 63.773 0.300 1 491 443 90 SER N N 117.923 0.300 1 492 444 91 GLN H H 8.250 0.020 1 493 444 91 GLN HA H 4.373 0.020 1 494 444 91 GLN C C 175.448 0.300 1 495 444 91 GLN CA C 56.436 0.300 1 496 444 91 GLN CB C 28.956 0.300 1 497 444 91 GLN N N 119.918 0.300 1 498 445 92 SER H H 8.534 0.020 1 499 445 92 SER C C 174.561 0.300 1 500 445 92 SER CA C 58.748 0.300 1 501 445 92 SER CB C 63.773 0.300 1 502 445 92 SER N N 121.273 0.300 1 503 446 93 THR H H 8.229 0.020 1 504 446 93 THR HA H 4.433 0.020 1 505 446 93 THR CA C 61.155 0.300 1 506 446 93 THR CB C 69.674 0.300 1 507 446 93 THR N N 118.471 0.300 1 508 447 94 THR H H 8.308 0.020 1 509 447 94 THR HA H 4.442 0.020 1 510 447 94 THR HB H 4.197 0.020 1 511 447 94 THR CA C 61.160 0.300 1 512 447 94 THR CB C 69.600 0.300 1 513 447 94 THR N N 118.603 0.300 1 514 448 95 ALA H H 8.468 0.020 1 515 448 95 ALA HA H 4.244 0.020 1 516 448 95 ALA C C 177.755 0.300 1 517 448 95 ALA CA C 53.150 0.300 1 518 448 95 ALA CB C 18.890 0.300 1 519 448 95 ALA N N 123.599 0.300 1 520 449 96 SER H H 8.299 0.020 1 521 449 96 SER HA H 4.420 0.020 1 522 449 96 SER C C 174.661 0.300 1 523 449 96 SER CA C 58.670 0.300 1 524 449 96 SER CB C 63.800 0.300 1 525 449 96 SER N N 118.983 0.300 1 526 450 97 LEU H H 8.377 0.020 1 527 450 97 LEU HA H 4.439 0.020 1 528 450 97 LEU CA C 55.635 0.300 1 529 450 97 LEU N N 122.235 0.300 1 530 451 98 SER H H 8.453 0.020 1 531 451 98 SER HA H 4.422 0.020 1 532 451 98 SER N N 119.374 0.300 1 stop_ save_