data_6900 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 15N, 13C and 1H resonance assignments for the C-terminal MA-3 domain of the tumour suppressor protein Pdcd4 ; _BMRB_accession_number 6900 _BMRB_flat_file_name bmr6900.str _Entry_type original _Submission_date 2005-11-14 _Accession_date 2005-11-14 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Chemical Shift Assignments for mPdcd4 (319-449)' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Waters Lorna C. . 2 Bohm Maret . . 3 Veverka Vaclav . . 4 Muskett Fred W. . 5 Frenkiel Thomas . . 6 Kelly Geoff . . 7 Prescott Andrew . . 8 Dosanjh Nuvjeevan . . 9 Klempnauer Karl-Heinz . . 10 Carr Mark D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 811 "13C chemical shifts" 435 "15N chemical shifts" 130 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-08 update BMRB 'complete entry citation' 2006-03-10 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR Assignment and Secondary Structure Determination of the C-terminal MA-3 Domain of the Tumour Suppressor Protein Pdcd4 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16518566 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Waters Lorna C. . 2 Bohm Maret . . 3 Veverka Vaclav . . 4 Muskett Frederick W. . 5 Frenkiel Thomas A. . 6 Kelly Geoffrey P. . 7 Prescott Andrew . . 8 Dosanjh Nuvjeevan S. . 9 Klempnauer Karl-Heinz . . 10 Carr Mark D. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 36 _Journal_issue 'Suppl. 5' _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 18 _Page_last 18 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Pdcd4 C-terminal MA-3 (319-449)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Pdcd4 C-terminal MA-3 domain' $Pdcd4_C-terminal_MA-3_domain stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Pdcd4_C-terminal_MA-3_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Pdcd4 MA-3' _Molecular_mass . _Mol_thiol_state 'all free' _Details 'The N-terminal 5 residues G314-S318 are cloning artifacts and not part of the Pdcd4 sequence' ############################## # Polymer residue sequence # ############################## _Residue_count 136 _Mol_residue_sequence ; GPLGSGGQQPVNHLVKEIDM LLKEYLLSGDISEAEHCLKE LEVPHFHHELVYEAIVMVLE STGESAFKMILDLLKSLWKS STITIDQMKRGYERIYNEIP DINLDVPHSYSVLERFVEEC FQAGIISKQLRDLCPS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 314 GLY 2 315 PRO 3 316 LEU 4 317 GLY 5 318 SER 6 319 GLY 7 320 GLY 8 321 GLN 9 322 GLN 10 323 PRO 11 324 VAL 12 325 ASN 13 326 HIS 14 327 LEU 15 328 VAL 16 329 LYS 17 330 GLU 18 331 ILE 19 332 ASP 20 333 MET 21 334 LEU 22 335 LEU 23 336 LYS 24 337 GLU 25 338 TYR 26 339 LEU 27 340 LEU 28 341 SER 29 342 GLY 30 343 ASP 31 344 ILE 32 345 SER 33 346 GLU 34 347 ALA 35 348 GLU 36 349 HIS 37 350 CYS 38 351 LEU 39 352 LYS 40 353 GLU 41 354 LEU 42 355 GLU 43 356 VAL 44 357 PRO 45 358 HIS 46 359 PHE 47 360 HIS 48 361 HIS 49 362 GLU 50 363 LEU 51 364 VAL 52 365 TYR 53 366 GLU 54 367 ALA 55 368 ILE 56 369 VAL 57 370 MET 58 371 VAL 59 372 LEU 60 373 GLU 61 374 SER 62 375 THR 63 376 GLY 64 377 GLU 65 378 SER 66 379 ALA 67 380 PHE 68 381 LYS 69 382 MET 70 383 ILE 71 384 LEU 72 385 ASP 73 386 LEU 74 387 LEU 75 388 LYS 76 389 SER 77 390 LEU 78 391 TRP 79 392 LYS 80 393 SER 81 394 SER 82 395 THR 83 396 ILE 84 397 THR 85 398 ILE 86 399 ASP 87 400 GLN 88 401 MET 89 402 LYS 90 403 ARG 91 404 GLY 92 405 TYR 93 406 GLU 94 407 ARG 95 408 ILE 96 409 TYR 97 410 ASN 98 411 GLU 99 412 ILE 100 413 PRO 101 414 ASP 102 415 ILE 103 416 ASN 104 417 LEU 105 418 ASP 106 419 VAL 107 420 PRO 108 421 HIS 109 422 SER 110 423 TYR 111 424 SER 112 425 VAL 113 426 LEU 114 427 GLU 115 428 ARG 116 429 PHE 117 430 VAL 118 431 GLU 119 432 GLU 120 433 CYS 121 434 PHE 122 435 GLN 123 436 ALA 124 437 GLY 125 438 ILE 126 439 ILE 127 440 SER 128 441 LYS 129 442 GLN 130 443 LEU 131 444 ARG 132 445 ASP 133 446 LEU 134 447 CYS 135 448 PRO 136 449 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-25 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 2HM8 "Solution Structure Of The C-Terminal Ma-3 Domain Of Pdcd4" 100.00 136 100.00 100.00 1.50e-93 PDB 2IOL "Crystal Structure Of The C-Terminal Ma3 Domain Of Pdcd4 (Mouse); Form 1" 95.59 150 96.92 96.92 2.20e-84 PDB 2ION "Crystal Structure Of The C-terminal Ma3 Domain Of Pdcd4 (mouse); Form2" 95.59 152 100.00 100.00 3.09e-88 PDB 2IOS "Crystal Structure Of The C-Terminal Ma3 Domain Of Pdcd4 (Mouse); Form 3" 95.59 150 98.46 98.46 1.42e-85 PDB 2KZT "Structure Of The Tandem Ma-3 Region Of Pdcd4" 96.32 131 100.00 100.00 1.53e-89 PDB 2NSZ "1.15 Angstrom Crystal Structure Of The Ma3 Domain Of Pdcd4" 94.12 129 100.00 100.00 7.29e-87 DBJ BAK63524 "programmed cell death 4 isoform 1 [Pan troglodytes]" 96.32 285 96.95 98.47 1.68e-86 REF XP_005269759 "PREDICTED: programmed cell death protein 4 isoform X1 [Homo sapiens]" 96.32 283 96.95 98.47 2.09e-86 REF XP_006717830 "PREDICTED: programmed cell death protein 4 isoform X2 [Homo sapiens]" 96.32 283 96.95 98.47 2.09e-86 REF XP_008949157 "PREDICTED: programmed cell death protein 4 isoform X3 [Pan paniscus]" 96.32 283 96.95 98.47 2.09e-86 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Pdcd4_C-terminal_MA-3_domain 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 $Pdcd4_C-terminal_MA-3_domain 'recombinant technology' E.coli . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '15N labeled sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pdcd4_C-terminal_MA-3_domain 0.6 mM [U-15N] 'sodium chloride' 100 mM . 'sodium phosphate' 25 mM . DTT 0.5 mM . EDTA 10 uM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '15N/13C labeled sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pdcd4_C-terminal_MA-3_domain 0.7 mM '[U-15N; U-13C]' 'sodium chloride' 100 mM . 'sodium phosphate' 25 mM . DTT 0.5 mM . EDTA 10 uM . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '13C sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pdcd4_C-terminal_MA-3_domain 0.9 mM [U-13C] 'sodium chloride' 100 mM . 'sodium phosphate' 25 mM . DTT 0.5 mM . EDTA 10 uM . stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details 'unlabeled sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pdcd4_C-terminal_MA-3_domain 1 mM . 'sodium chloride' 100 mM . 'sodium phosphate' 25 mM . DTT 0.5 mM . EDTA 10 uM . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TOPSPIN _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Bruker BioSpin Ltd' . . stop_ loop_ _Task 'Acquistion and Processing of NMR data' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name SPARKY _Version 3.110 loop_ _Vendor _Address _Electronic_address 'T. D. Goddard and D. G. Kneller' ; T. D. Goddard and D. G. Kneller, SPARKY 3, University of California, San Francisco ; . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_Avance _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_600MHz_DRX _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_800MHz_Inova _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _Sample_label $sample_1 save_ save_1H13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name 1H13C_HSQC _Sample_label $sample_3 save_ save_1H15N13C_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N13C_HNCACB _Sample_label $sample_2 save_ save_1H15N13C_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N13C_CBCA(CO)NH _Sample_label $sample_2 save_ save_1H15N_NOESYHSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_NOESYHSQC _Sample_label $sample_1 save_ save_1H15N_TOCSYHSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_TOCSYHSQC _Sample_label $sample_1 save_ save_1H13C_HCCHTOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name 1H13C_HCCHTOCSY _Sample_label $sample_2 save_ save_1H13C_NOESYHSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name 1H13C_NOESYHSQC _Sample_label $sample_3 save_ save_1H_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name 1H_NOESY _Sample_label $sample_4 save_ save_1H_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name 1H_TOCSY _Sample_label $sample_4 save_ save_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _BMRB_pulse_sequence_accession_number . _Details '90% water / 10% D2O sample used' save_ save_1H15N_NOESYHSQC _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_NOESYHSQC _BMRB_pulse_sequence_accession_number . _Details '90% water / 10% D2O sample used' save_ save_1H15N_TOCSYHSQC _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_TOCSYHSQC _BMRB_pulse_sequence_accession_number . _Details '90% water / 10% D2O sample used' save_ save_1H15N13C_HNCACB _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N13C_HNCACB _BMRB_pulse_sequence_accession_number . _Details '90% water / 10% D2O sample used' save_ save_1H15N13C_CBCA(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N13C_CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details '90% water / 10% D2O sample used' save_ save_1H13C_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 1H13C_HSQC _BMRB_pulse_sequence_accession_number . _Details '100% D2O sample used' save_ save_1H13C_HCCHTOCSY _Saveframe_category NMR_applied_experiment _Experiment_name 1H13C_HCCHTOCSY _BMRB_pulse_sequence_accession_number . _Details '100% D2O sample used' save_ save_1H13C_NOESYHSQC _Saveframe_category NMR_applied_experiment _Experiment_name 1H13C_NOESYHSQC _BMRB_pulse_sequence_accession_number . _Details '100% D2O sample used' save_ save_1H_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name 1H_NOESY _BMRB_pulse_sequence_accession_number . _Details '100% D2O sample used' save_ save_1H_TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name 1H_TOCSY _BMRB_pulse_sequence_accession_number . _Details '100% D2O sample used' save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 pH temperature 298 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ loop_ _Experiment_label 1H15N_HSQC 1H15N_NOESYHSQC 1H15N_TOCSYHSQC 1H15N13C_HNCACB 1H15N13C_CBCA(CO)NH 1H13C_HSQC 1H13C_HCCHTOCSY 1H13C_NOESYHSQC 1H_NOESY 1H_TOCSY stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'Pdcd4 C-terminal MA-3 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 1 315 2 PRO HA H 4.468 0.020 1 2 315 2 PRO HB2 H 2.306 0.020 2 3 315 2 PRO HB3 H 1.935 0.020 2 4 315 2 PRO HG2 H 2.000 0.020 1 5 315 2 PRO HG3 H 2.000 0.020 1 6 315 2 PRO HD2 H 3.571 0.020 1 7 315 2 PRO HD3 H 3.571 0.020 1 8 315 2 PRO CA C 63.172 0.400 1 9 315 2 PRO CB C 32.287 0.400 1 10 315 2 PRO CG C 27.087 0.400 1 11 315 2 PRO CD C 49.666 0.400 1 12 316 3 LEU H H 8.559 0.020 1 13 316 3 LEU HA H 4.346 0.020 1 14 316 3 LEU HB2 H 1.660 0.020 2 15 316 3 LEU HB3 H 1.590 0.020 2 16 316 3 LEU HG H 1.645 0.020 1 17 316 3 LEU HD1 H 0.915 0.020 2 18 316 3 LEU HD2 H 0.871 0.020 2 19 316 3 LEU CA C 55.421 0.400 1 20 316 3 LEU CB C 42.281 0.400 1 21 316 3 LEU CG C 27.085 0.400 1 22 316 3 LEU CD1 C 24.764 0.400 1 23 316 3 LEU CD2 C 23.410 0.400 1 24 316 3 LEU N N 122.366 0.400 1 25 317 4 GLY H H 8.432 0.020 1 26 317 4 GLY HA2 H 4.005 0.020 1 27 317 4 GLY HA3 H 4.005 0.020 1 28 317 4 GLY CA C 45.383 0.400 1 29 317 4 GLY N N 109.908 0.400 1 30 318 5 SER H H 8.327 0.020 1 31 318 5 SER HA H 4.464 0.020 1 32 318 5 SER HB2 H 3.911 0.020 2 33 318 5 SER HB3 H 3.857 0.020 2 34 318 5 SER CA C 58.564 0.400 1 35 318 5 SER CB C 63.874 0.400 1 36 318 5 SER N N 115.905 0.400 1 37 319 6 GLY H H 8.570 0.020 1 38 319 6 GLY HA2 H 4.000 0.020 1 39 319 6 GLY HA3 H 4.000 0.020 1 40 319 6 GLY CA C 45.626 0.400 1 41 319 6 GLY N N 111.063 0.400 1 42 320 7 GLY H H 8.292 0.020 1 43 320 7 GLY HA2 H 3.974 0.020 1 44 320 7 GLY HA3 H 3.974 0.020 1 45 320 7 GLY CA C 45.344 0.400 1 46 320 7 GLY N N 108.652 0.400 1 47 321 8 GLN H H 8.272 0.020 1 48 321 8 GLN HA H 4.339 0.020 1 49 321 8 GLN HB2 H 2.098 0.020 2 50 321 8 GLN HB3 H 1.964 0.020 2 51 321 8 GLN HG2 H 2.337 0.020 1 52 321 8 GLN HG3 H 2.337 0.020 1 53 321 8 GLN HE21 H 7.546 0.020 2 54 321 8 GLN HE22 H 6.854 0.020 2 55 321 8 GLN CA C 55.691 0.400 1 56 321 8 GLN CB C 29.443 0.400 1 57 321 8 GLN CG C 33.704 0.400 1 58 321 8 GLN N N 119.781 0.400 1 59 321 8 GLN NE2 N 112.612 0.400 1 60 322 9 GLN H H 8.450 0.020 1 61 322 9 GLN HA H 4.597 0.020 1 62 322 9 GLN HB2 H 2.073 0.020 2 63 322 9 GLN HB3 H 1.909 0.020 2 64 322 9 GLN HG2 H 2.375 0.020 1 65 322 9 GLN HG3 H 2.375 0.020 1 66 322 9 GLN HE21 H 7.516 0.020 2 67 322 9 GLN HE22 H 6.858 0.020 2 68 322 9 GLN CA C 53.822 0.400 1 69 322 9 GLN CB C 28.747 0.400 1 70 322 9 GLN CG C 33.353 0.400 1 71 322 9 GLN N N 122.781 0.400 1 72 322 9 GLN NE2 N 112.492 0.400 1 73 323 10 PRO HA H 4.452 0.020 1 74 323 10 PRO HB2 H 2.264 0.020 2 75 323 10 PRO HB3 H 1.895 0.020 2 76 323 10 PRO HG2 H 1.990 0.020 1 77 323 10 PRO HG3 H 1.990 0.020 1 78 323 10 PRO HD2 H 3.780 0.020 2 79 323 10 PRO HD3 H 3.631 0.020 2 80 323 10 PRO CA C 62.999 0.400 1 81 323 10 PRO CB C 32.045 0.400 1 82 323 10 PRO CG C 27.410 0.400 1 83 323 10 PRO CD C 50.604 0.400 1 84 324 11 VAL H H 8.276 0.020 1 85 324 11 VAL HA H 3.966 0.020 1 86 324 11 VAL HB H 2.001 0.020 1 87 324 11 VAL HG1 H 0.915 0.020 2 88 324 11 VAL HG2 H 0.868 0.020 2 89 324 11 VAL CA C 62.834 0.400 1 90 324 11 VAL CB C 32.546 0.400 1 91 324 11 VAL CG1 C 20.620 0.400 1 92 324 11 VAL CG2 C 20.996 0.400 1 93 324 11 VAL N N 120.248 0.400 1 94 325 12 ASN H H 8.408 0.020 1 95 325 12 ASN HA H 4.595 0.020 1 96 325 12 ASN HB2 H 2.791 0.020 1 97 325 12 ASN HB3 H 2.791 0.020 1 98 325 12 ASN HD21 H 7.688 0.020 2 99 325 12 ASN HD22 H 6.730 0.020 2 100 325 12 ASN CA C 53.739 0.400 1 101 325 12 ASN CB C 38.553 0.400 1 102 325 12 ASN N N 121.425 0.400 1 103 325 12 ASN ND2 N 112.544 0.400 1 104 326 13 HIS HA H 4.429 0.020 1 105 326 13 HIS HB2 H 3.142 0.020 1 106 326 13 HIS HB3 H 3.142 0.020 1 107 326 13 HIS HD2 H 7.045 0.020 1 108 326 13 HIS HE1 H 7.929 0.020 1 109 326 13 HIS CA C 57.763 0.400 1 110 326 13 HIS CB C 29.940 0.400 1 111 327 14 LEU H H 7.832 0.020 1 112 327 14 LEU HA H 4.094 0.020 1 113 327 14 LEU HB2 H 1.517 0.020 2 114 327 14 LEU HB3 H 1.324 0.020 2 115 327 14 LEU HG H 1.308 0.020 1 116 327 14 LEU HD1 H 0.725 0.020 2 117 327 14 LEU HD2 H 0.717 0.020 2 118 327 14 LEU CA C 56.617 0.400 1 119 327 14 LEU CB C 42.019 0.400 1 120 327 14 LEU CG C 26.847 0.400 1 121 327 14 LEU CD1 C 24.847 0.400 1 122 327 14 LEU CD2 C 23.699 0.400 1 123 327 14 LEU N N 120.913 0.400 1 124 328 15 VAL H H 7.890 0.020 1 125 328 15 VAL HA H 3.687 0.020 1 126 328 15 VAL HB H 2.010 0.020 1 127 328 15 VAL HG1 H 0.874 0.020 2 128 328 15 VAL HG2 H 0.834 0.020 2 129 328 15 VAL CA C 65.206 0.400 1 130 328 15 VAL CB C 31.424 0.400 1 131 328 15 VAL CG1 C 21.053 0.400 1 132 328 15 VAL CG2 C 21.862 0.400 1 133 328 15 VAL N N 119.608 0.400 1 134 329 16 LYS HA H 4.042 0.020 1 135 329 16 LYS HB2 H 1.888 0.020 1 136 329 16 LYS HB3 H 1.888 0.020 1 137 329 16 LYS HG2 H 1.501 0.020 2 138 329 16 LYS HG3 H 1.408 0.020 2 139 329 16 LYS HD2 H 1.654 0.020 1 140 329 16 LYS HD3 H 1.654 0.020 1 141 329 16 LYS HE2 H 2.972 0.020 1 142 329 16 LYS HE3 H 2.972 0.020 1 143 329 16 LYS CA C 59.363 0.400 1 144 329 16 LYS CB C 31.928 0.400 1 145 329 16 LYS CG C 24.740 0.400 1 146 329 16 LYS CD C 29.014 0.400 1 147 330 17 GLU HA H 4.067 0.020 1 148 330 17 GLU HB2 H 2.050 0.020 1 149 330 17 GLU HB3 H 2.050 0.020 1 150 330 17 GLU HG2 H 2.351 0.020 2 151 330 17 GLU HG3 H 2.272 0.020 2 152 330 17 GLU CA C 59.767 0.400 1 153 330 17 GLU CB C 29.107 0.400 1 154 330 17 GLU CG C 36.300 0.400 1 155 331 18 ILE H H 7.958 0.020 1 156 331 18 ILE HA H 3.593 0.020 1 157 331 18 ILE HB H 2.075 0.020 1 158 331 18 ILE HG12 H 1.565 0.020 2 159 331 18 ILE HG13 H 1.014 0.020 2 160 331 18 ILE HG2 H 0.757 0.020 1 161 331 18 ILE HD1 H 0.674 0.020 1 162 331 18 ILE CA C 64.177 0.400 1 163 331 18 ILE CB C 36.837 0.400 1 164 331 18 ILE CG1 C 29.610 0.400 1 165 331 18 ILE CG2 C 17.522 0.400 1 166 331 18 ILE CD1 C 11.852 0.400 1 167 331 18 ILE N N 121.590 0.400 1 168 332 19 ASP H H 8.332 0.020 1 169 332 19 ASP HA H 4.325 0.020 1 170 332 19 ASP HB2 H 2.811 0.020 2 171 332 19 ASP HB3 H 2.688 0.020 2 172 332 19 ASP CA C 57.979 0.400 1 173 332 19 ASP CB C 41.591 0.400 1 174 332 19 ASP N N 121.222 0.400 1 175 333 20 MET H H 8.092 0.020 1 176 333 20 MET HA H 4.089 0.020 1 177 333 20 MET HB2 H 2.161 0.020 1 178 333 20 MET HB3 H 2.161 0.020 1 179 333 20 MET HG2 H 2.761 0.020 2 180 333 20 MET HG3 H 2.610 0.020 2 181 333 20 MET HE H 2.082 0.020 1 182 333 20 MET CA C 58.819 0.400 1 183 333 20 MET CB C 32.459 0.400 1 184 333 20 MET CG C 32.006 0.400 1 185 333 20 MET CE C 16.785 0.400 1 186 333 20 MET N N 116.015 0.400 1 187 334 21 LEU H H 7.804 0.020 1 188 334 21 LEU HA H 4.126 0.020 1 189 334 21 LEU HB2 H 1.930 0.020 1 190 334 21 LEU HB3 H 1.930 0.020 1 191 334 21 LEU HG H 2.075 0.020 1 192 334 21 LEU HD1 H 0.800 0.020 2 193 334 21 LEU HD2 H 0.731 0.020 2 194 334 21 LEU CA C 58.930 0.400 1 195 334 21 LEU CB C 42.058 0.400 1 196 334 21 LEU CG C 26.709 0.400 1 197 334 21 LEU CD1 C 26.872 0.400 1 198 334 21 LEU CD2 C 24.892 0.400 1 199 334 21 LEU N N 122.040 0.400 1 200 335 22 LEU H H 8.329 0.020 1 201 335 22 LEU HA H 3.991 0.020 1 202 335 22 LEU HB2 H 2.104 0.020 2 203 335 22 LEU HB3 H 1.457 0.020 2 204 335 22 LEU HG H 1.725 0.020 1 205 335 22 LEU HD1 H 0.876 0.020 2 206 335 22 LEU HD2 H 0.644 0.020 2 207 335 22 LEU CA C 58.051 0.400 1 208 335 22 LEU CB C 42.018 0.400 1 209 335 22 LEU CG C 27.078 0.400 1 210 335 22 LEU CD1 C 25.817 0.400 1 211 335 22 LEU CD2 C 22.380 0.400 1 212 335 22 LEU N N 122.792 0.400 1 213 336 23 LYS H H 8.508 0.020 1 214 336 23 LYS HA H 3.854 0.020 1 215 336 23 LYS HB2 H 1.929 0.020 2 216 336 23 LYS HB3 H 1.809 0.020 2 217 336 23 LYS HG2 H 1.614 0.020 2 218 336 23 LYS HG3 H 1.356 0.020 2 219 336 23 LYS HD2 H 1.574 0.020 1 220 336 23 LYS HD3 H 1.574 0.020 1 221 336 23 LYS HE2 H 2.943 0.020 1 222 336 23 LYS HE3 H 2.943 0.020 1 223 336 23 LYS CA C 60.480 0.400 1 224 336 23 LYS CB C 32.367 0.400 1 225 336 23 LYS CG C 26.765 0.400 1 226 336 23 LYS CD C 29.011 0.400 1 227 336 23 LYS CE C 41.775 0.400 1 228 336 23 LYS N N 119.557 0.400 1 229 337 24 GLU H H 8.373 0.020 1 230 337 24 GLU HA H 4.104 0.020 1 231 337 24 GLU HB2 H 2.151 0.020 2 232 337 24 GLU HB3 H 2.067 0.020 2 233 337 24 GLU HG2 H 2.386 0.020 1 234 337 24 GLU HG3 H 2.386 0.020 1 235 337 24 GLU CA C 58.963 0.400 1 236 337 24 GLU CB C 28.716 0.400 1 237 337 24 GLU CG C 36.089 0.400 1 238 337 24 GLU N N 118.889 0.400 1 239 338 25 TYR H H 8.110 0.020 1 240 338 25 TYR HA H 4.657 0.020 1 241 338 25 TYR HB2 H 3.192 0.020 2 242 338 25 TYR HB3 H 3.136 0.020 2 243 338 25 TYR HD1 H 6.846 0.020 1 244 338 25 TYR HD2 H 6.846 0.020 1 245 338 25 TYR HE1 H 6.379 0.020 1 246 338 25 TYR HE2 H 6.379 0.020 1 247 338 25 TYR CA C 60.359 0.400 1 248 338 25 TYR CB C 37.525 0.400 1 249 338 25 TYR N N 122.064 0.400 1 250 339 26 LEU H H 8.262 0.020 1 251 339 26 LEU HA H 3.700 0.020 1 252 339 26 LEU HB2 H 1.800 0.020 2 253 339 26 LEU HB3 H 1.372 0.020 2 254 339 26 LEU HG H 1.913 0.020 1 255 339 26 LEU HD1 H 0.900 0.020 2 256 339 26 LEU HD2 H 0.868 0.020 2 257 339 26 LEU CA C 57.104 0.400 1 258 339 26 LEU CB C 41.088 0.400 1 259 339 26 LEU CG C 27.341 0.400 1 260 339 26 LEU CD1 C 26.100 0.400 1 261 339 26 LEU CD2 C 23.389 0.400 1 262 339 26 LEU N N 119.236 0.400 1 263 340 27 LEU H H 7.235 0.020 1 264 340 27 LEU HA H 4.218 0.020 1 265 340 27 LEU HB2 H 1.833 0.020 2 266 340 27 LEU HB3 H 1.571 0.020 2 267 340 27 LEU HG H 1.705 0.020 1 268 340 27 LEU HD1 H 0.873 0.020 2 269 340 27 LEU HD2 H 0.859 0.020 2 270 340 27 LEU CA C 56.549 0.400 1 271 340 27 LEU CB C 42.775 0.400 1 272 340 27 LEU CG C 26.581 0.400 1 273 340 27 LEU CD1 C 24.771 0.400 1 274 340 27 LEU CD2 C 24.751 0.400 1 275 340 27 LEU N N 116.672 0.400 1 276 341 28 SER H H 8.195 0.020 1 277 341 28 SER HA H 4.447 0.020 1 278 341 28 SER HB2 H 3.978 0.020 1 279 341 28 SER HB3 H 3.978 0.020 1 280 341 28 SER CA C 59.242 0.400 1 281 341 28 SER CB C 65.198 0.400 1 282 341 28 SER N N 113.996 0.400 1 283 342 29 GLY H H 9.443 0.020 1 284 342 29 GLY HA2 H 3.966 0.020 2 285 342 29 GLY HA3 H 3.168 0.020 2 286 342 29 GLY CA C 46.343 0.400 1 287 342 29 GLY N N 114.436 0.400 1 288 343 30 ASP H H 8.218 0.020 1 289 343 30 ASP HA H 4.800 0.020 1 290 343 30 ASP HB2 H 3.119 0.020 2 291 343 30 ASP HB3 H 2.399 0.020 2 292 343 30 ASP CA C 53.762 0.400 1 293 343 30 ASP CB C 40.520 0.400 1 294 343 30 ASP N N 119.067 0.400 1 295 344 31 ILE H H 8.634 0.020 1 296 344 31 ILE HA H 3.570 0.020 1 297 344 31 ILE HB H 1.918 0.020 1 298 344 31 ILE HG12 H 2.041 0.020 2 299 344 31 ILE HG13 H 1.082 0.020 2 300 344 31 ILE HG2 H 0.944 0.020 1 301 344 31 ILE HD1 H 0.995 0.020 1 302 344 31 ILE CA C 65.450 0.400 1 303 344 31 ILE CB C 38.604 0.400 1 304 344 31 ILE CG1 C 30.619 0.400 1 305 344 31 ILE CG2 C 16.836 0.400 1 306 344 31 ILE CD1 C 13.541 0.400 1 307 344 31 ILE N N 130.014 0.400 1 308 345 32 SER H H 8.208 0.020 1 309 345 32 SER HA H 4.308 0.020 1 310 345 32 SER HB2 H 3.997 0.020 1 311 345 32 SER HB3 H 3.997 0.020 1 312 345 32 SER CA C 61.683 0.400 1 313 345 32 SER CB C 62.476 0.400 1 314 345 32 SER N N 115.991 0.400 1 315 346 33 GLU H H 8.077 0.020 1 316 346 33 GLU HA H 4.278 0.020 1 317 346 33 GLU HB2 H 1.986 0.020 2 318 346 33 GLU HB3 H 1.890 0.020 2 319 346 33 GLU HG2 H 2.360 0.020 2 320 346 33 GLU HG3 H 2.255 0.020 2 321 346 33 GLU CA C 58.274 0.400 1 322 346 33 GLU CB C 29.208 0.400 1 323 346 33 GLU CG C 35.393 0.400 1 324 346 33 GLU N N 123.897 0.400 1 325 347 34 ALA H H 7.510 0.020 1 326 347 34 ALA HA H 4.234 0.020 1 327 347 34 ALA HB H 1.241 0.020 1 328 347 34 ALA CA C 55.569 0.400 1 329 347 34 ALA CB C 18.345 0.400 1 330 347 34 ALA N N 123.273 0.400 1 331 348 35 GLU H H 8.502 0.020 1 332 348 35 GLU HA H 3.591 0.020 1 333 348 35 GLU HB2 H 2.050 0.020 1 334 348 35 GLU HB3 H 2.050 0.020 1 335 348 35 GLU HG2 H 2.092 0.020 1 336 348 35 GLU HG3 H 2.092 0.020 1 337 348 35 GLU CA C 60.345 0.400 1 338 348 35 GLU CB C 29.853 0.400 1 339 348 35 GLU CG C 36.777 0.400 1 340 348 35 GLU N N 116.873 0.400 1 341 349 36 HIS H H 8.304 0.020 1 342 349 36 HIS HA H 4.264 0.020 1 343 349 36 HIS HB2 H 3.352 0.020 1 344 349 36 HIS HB3 H 3.352 0.020 1 345 349 36 HIS HD2 H 7.275 0.020 1 346 349 36 HIS HE1 H 8.311 0.020 1 347 349 36 HIS CA C 59.474 0.400 1 348 349 36 HIS CB C 28.775 0.400 1 349 349 36 HIS N N 117.859 0.400 1 350 350 37 CYS H H 8.682 0.020 1 351 350 37 CYS HA H 3.950 0.020 1 352 350 37 CYS HB2 H 3.121 0.020 2 353 350 37 CYS HB3 H 2.844 0.020 2 354 350 37 CYS CA C 62.949 0.400 1 355 350 37 CYS CB C 26.588 0.400 1 356 350 37 CYS N N 118.375 0.400 1 357 351 38 LEU H H 8.243 0.020 1 358 351 38 LEU HA H 3.886 0.020 1 359 351 38 LEU HB2 H 1.867 0.020 2 360 351 38 LEU HB3 H 1.352 0.020 2 361 351 38 LEU HG H 1.299 0.020 1 362 351 38 LEU HD1 H 0.690 0.020 2 363 351 38 LEU HD2 H 0.261 0.020 2 364 351 38 LEU CA C 57.746 0.400 1 365 351 38 LEU CB C 42.009 0.400 1 366 351 38 LEU CG C 26.632 0.400 1 367 351 38 LEU CD1 C 22.322 0.400 1 368 351 38 LEU CD2 C 26.026 0.400 1 369 351 38 LEU N N 119.679 0.400 1 370 352 39 LYS H H 8.450 0.020 1 371 352 39 LYS HA H 4.045 0.020 1 372 352 39 LYS HB2 H 1.931 0.020 1 373 352 39 LYS HB3 H 1.931 0.020 1 374 352 39 LYS HG2 H 1.704 0.020 2 375 352 39 LYS HG3 H 1.472 0.020 2 376 352 39 LYS HD2 H 1.700 0.020 1 377 352 39 LYS HD3 H 1.700 0.020 1 378 352 39 LYS HE2 H 2.987 0.020 1 379 352 39 LYS HE3 H 2.987 0.020 1 380 352 39 LYS CA C 60.199 0.400 1 381 352 39 LYS CB C 31.880 0.400 1 382 352 39 LYS CG C 26.020 0.400 1 383 352 39 LYS CD C 29.258 0.400 1 384 352 39 LYS CE C 41.765 0.400 1 385 352 39 LYS N N 120.489 0.400 1 386 353 40 GLU H H 8.001 0.020 1 387 353 40 GLU HA H 4.044 0.020 1 388 353 40 GLU HB2 H 2.037 0.020 2 389 353 40 GLU HB3 H 1.966 0.020 2 390 353 40 GLU HG2 H 2.120 0.020 1 391 353 40 GLU HG3 H 2.120 0.020 1 392 353 40 GLU CA C 58.379 0.400 1 393 353 40 GLU CB C 29.529 0.400 1 394 353 40 GLU CG C 36.748 0.400 1 395 353 40 GLU N N 118.884 0.400 1 396 354 41 LEU H H 7.482 0.020 1 397 354 41 LEU HA H 4.081 0.020 1 398 354 41 LEU HB2 H 2.076 0.020 2 399 354 41 LEU HB3 H 1.472 0.020 2 400 354 41 LEU HG H 2.041 0.020 1 401 354 41 LEU HD1 H 0.810 0.020 2 402 354 41 LEU HD2 H 0.767 0.020 2 403 354 41 LEU CA C 56.681 0.400 1 404 354 41 LEU CB C 43.125 0.400 1 405 354 41 LEU CG C 26.133 0.400 1 406 354 41 LEU CD1 C 22.580 0.400 1 407 354 41 LEU CD2 C 25.498 0.400 1 408 354 41 LEU N N 117.940 0.400 1 409 355 42 GLU H H 7.534 0.020 1 410 355 42 GLU HA H 3.883 0.020 1 411 355 42 GLU HB2 H 2.254 0.020 2 412 355 42 GLU HB3 H 2.097 0.020 2 413 355 42 GLU HG2 H 2.291 0.020 1 414 355 42 GLU HG3 H 2.291 0.020 1 415 355 42 GLU CA C 56.996 0.400 1 416 355 42 GLU CB C 27.932 0.400 1 417 355 42 GLU CG C 36.754 0.400 1 418 355 42 GLU N N 113.005 0.400 1 419 356 43 VAL HA H 4.778 0.020 1 420 356 43 VAL HB H 1.959 0.020 1 421 356 43 VAL HG1 H 0.966 0.020 2 422 356 43 VAL HG2 H 0.939 0.020 2 423 356 43 VAL CA C 57.350 0.400 1 424 356 43 VAL CB C 32.440 0.400 1 425 356 43 VAL CG1 C 18.680 0.400 1 426 356 43 VAL CG2 C 21.612 0.400 1 427 357 44 PRO HA H 2.388 0.020 1 428 357 44 PRO HB2 H 1.846 0.020 2 429 357 44 PRO HB3 H 1.820 0.020 2 430 357 44 PRO HG2 H 2.031 0.020 1 431 357 44 PRO HG3 H 2.031 0.020 1 432 357 44 PRO HD2 H 3.669 0.020 2 433 357 44 PRO HD3 H 3.351 0.020 2 434 357 44 PRO CA C 64.522 0.400 1 435 357 44 PRO CB C 30.527 0.400 1 436 357 44 PRO CG C 27.710 0.400 1 437 357 44 PRO CD C 49.680 0.400 1 438 358 45 HIS H H 8.110 0.020 1 439 358 45 HIS HA H 4.532 0.020 1 440 358 45 HIS HB2 H 3.114 0.020 2 441 358 45 HIS HB3 H 2.942 0.020 2 442 358 45 HIS CA C 56.969 0.400 1 443 358 45 HIS CB C 29.221 0.400 1 444 358 45 HIS N N 114.265 0.400 1 445 359 46 PHE H H 8.292 0.020 1 446 359 46 PHE HA H 4.957 0.020 1 447 359 46 PHE HB2 H 3.239 0.020 2 448 359 46 PHE HB3 H 2.513 0.020 2 449 359 46 PHE HD1 H 6.990 0.020 1 450 359 46 PHE HD2 H 6.990 0.020 1 451 359 46 PHE HE1 H 7.348 0.020 1 452 359 46 PHE HE2 H 7.348 0.020 1 453 359 46 PHE HZ H 7.290 0.020 1 454 359 46 PHE CA C 55.665 0.400 1 455 359 46 PHE CB C 40.827 0.400 1 456 359 46 PHE N N 119.466 0.400 1 457 360 47 HIS HA H 4.381 0.020 1 458 360 47 HIS HB2 H 3.305 0.020 2 459 360 47 HIS HB3 H 3.078 0.020 2 460 360 47 HIS HD2 H 6.452 0.020 1 461 360 47 HIS HE1 H 7.759 0.020 1 462 360 47 HIS CA C 58.495 0.400 1 463 360 47 HIS CB C 28.599 0.400 1 464 361 48 HIS H H 9.270 0.020 1 465 361 48 HIS HA H 4.284 0.020 1 466 361 48 HIS HB2 H 3.180 0.020 2 467 361 48 HIS HB3 H 2.924 0.020 2 468 361 48 HIS CA C 59.128 0.400 1 469 361 48 HIS CB C 31.446 0.400 1 470 361 48 HIS N N 118.689 0.400 1 471 362 49 GLU H H 6.717 0.020 1 472 362 49 GLU HA H 4.125 0.020 1 473 362 49 GLU HB2 H 1.708 0.020 2 474 362 49 GLU HB3 H 1.403 0.020 2 475 362 49 GLU CA C 57.799 0.400 1 476 362 49 GLU CB C 28.094 0.400 1 477 362 49 GLU N N 121.647 0.400 1 478 363 50 LEU H H 7.048 0.020 1 479 363 50 LEU HA H 3.906 0.020 1 480 363 50 LEU HB2 H 2.111 0.020 2 481 363 50 LEU HB3 H 1.413 0.020 2 482 363 50 LEU HG H 1.574 0.020 1 483 363 50 LEU HD1 H 0.766 0.020 2 484 363 50 LEU HD2 H 0.624 0.020 2 485 363 50 LEU CA C 58.571 0.400 1 486 363 50 LEU CB C 40.411 0.400 1 487 363 50 LEU CG C 27.518 0.400 1 488 363 50 LEU CD1 C 26.548 0.400 1 489 363 50 LEU CD2 C 24.818 0.400 1 490 363 50 LEU N N 119.847 0.400 1 491 364 51 VAL H H 7.401 0.020 1 492 364 51 VAL HA H 3.159 0.020 1 493 364 51 VAL HB H 2.220 0.020 1 494 364 51 VAL HG1 H 1.145 0.020 2 495 364 51 VAL HG2 H 0.975 0.020 2 496 364 51 VAL CA C 67.638 0.400 1 497 364 51 VAL CB C 32.251 0.400 1 498 364 51 VAL CG1 C 23.279 0.400 1 499 364 51 VAL CG2 C 21.740 0.400 1 500 364 51 VAL N N 118.163 0.400 1 501 365 52 TYR H H 7.919 0.020 1 502 365 52 TYR HA H 3.733 0.020 1 503 365 52 TYR HB2 H 3.117 0.020 2 504 365 52 TYR HB3 H 2.937 0.020 2 505 365 52 TYR HD1 H 6.893 0.020 1 506 365 52 TYR HD2 H 6.893 0.020 1 507 365 52 TYR HE1 H 6.513 0.020 1 508 365 52 TYR HE2 H 6.513 0.020 1 509 365 52 TYR CA C 61.738 0.400 1 510 365 52 TYR CB C 39.389 0.400 1 511 365 52 TYR N N 116.813 0.400 1 512 366 53 GLU H H 8.522 0.020 1 513 366 53 GLU HA H 3.460 0.020 1 514 366 53 GLU HB2 H 1.983 0.020 2 515 366 53 GLU HB3 H 1.847 0.020 2 516 366 53 GLU HG2 H 2.827 0.020 2 517 366 53 GLU HG3 H 2.501 0.020 2 518 366 53 GLU CA C 59.155 0.400 1 519 366 53 GLU CB C 28.590 0.400 1 520 366 53 GLU CG C 35.270 0.400 1 521 366 53 GLU N N 116.307 0.400 1 522 367 54 ALA H H 8.559 0.020 1 523 367 54 ALA HA H 3.842 0.020 1 524 367 54 ALA HB H 1.402 0.020 1 525 367 54 ALA CA C 55.245 0.400 1 526 367 54 ALA CB C 17.436 0.400 1 527 367 54 ALA N N 121.411 0.400 1 528 368 55 ILE H H 7.670 0.020 1 529 368 55 ILE HA H 2.910 0.020 1 530 368 55 ILE HB H 1.391 0.020 1 531 368 55 ILE HG12 H 1.717 0.020 2 532 368 55 ILE HG13 H 0.263 0.020 2 533 368 55 ILE HG2 H 0.393 0.020 1 534 368 55 ILE HD1 H -0.051 0.020 1 535 368 55 ILE CA C 65.936 0.400 1 536 368 55 ILE CB C 36.816 0.400 1 537 368 55 ILE CG1 C 28.877 0.400 1 538 368 55 ILE CG2 C 17.330 0.400 1 539 368 55 ILE CD1 C 12.833 0.400 1 540 368 55 ILE N N 117.152 0.400 1 541 369 56 VAL H H 8.028 0.020 1 542 369 56 VAL HA H 3.055 0.020 1 543 369 56 VAL HB H 1.722 0.020 1 544 369 56 VAL HG1 H 0.661 0.020 2 545 369 56 VAL HG2 H 0.285 0.020 2 546 369 56 VAL CA C 68.434 0.400 1 547 369 56 VAL CB C 30.765 0.400 1 548 369 56 VAL CG1 C 21.604 0.400 1 549 369 56 VAL CG2 C 23.181 0.400 1 550 369 56 VAL N N 121.353 0.400 1 551 370 57 MET H H 7.706 0.020 1 552 370 57 MET HA H 3.959 0.020 1 553 370 57 MET HB2 H 2.252 0.020 2 554 370 57 MET HB3 H 1.784 0.020 2 555 370 57 MET HG2 H 2.807 0.020 2 556 370 57 MET HG3 H 2.420 0.020 2 557 370 57 MET HE H 2.066 0.020 1 558 370 57 MET CA C 59.847 0.400 1 559 370 57 MET CB C 31.705 0.400 1 560 370 57 MET CG C 33.779 0.400 1 561 370 57 MET CE C 18.858 0.400 1 562 370 57 MET N N 116.313 0.400 1 563 371 58 VAL H H 7.409 0.020 1 564 371 58 VAL HA H 3.215 0.020 1 565 371 58 VAL HB H 1.946 0.020 1 566 371 58 VAL HG1 H 0.548 0.020 2 567 371 58 VAL HG2 H 0.528 0.020 2 568 371 58 VAL CA C 67.129 0.400 1 569 371 58 VAL CB C 31.098 0.400 1 570 371 58 VAL CG1 C 22.995 0.400 1 571 371 58 VAL CG2 C 21.300 0.400 1 572 371 58 VAL N N 119.525 0.400 1 573 372 59 LEU H H 8.106 0.020 1 574 372 59 LEU HA H 3.889 0.020 1 575 372 59 LEU HB2 H 1.948 0.020 2 576 372 59 LEU HB3 H 1.284 0.020 2 577 372 59 LEU HD1 H 0.734 0.020 2 578 372 59 LEU HD2 H 0.739 0.020 2 579 372 59 LEU CA C 57.827 0.400 1 580 372 59 LEU CB C 40.818 0.400 1 581 372 59 LEU CD1 C 26.068 0.400 1 582 372 59 LEU CD2 C 22.100 0.400 1 583 372 59 LEU N N 119.500 0.400 1 584 373 60 GLU H H 8.087 0.020 1 585 373 60 GLU HA H 4.161 0.020 1 586 373 60 GLU HB2 H 2.042 0.020 2 587 373 60 GLU HB3 H 1.899 0.020 2 588 373 60 GLU HG2 H 2.412 0.020 2 589 373 60 GLU HG3 H 2.117 0.020 2 590 373 60 GLU CA C 56.877 0.400 1 591 373 60 GLU CB C 30.333 0.400 1 592 373 60 GLU CG C 36.463 0.400 1 593 373 60 GLU N N 113.927 0.400 1 594 374 61 SER H H 7.415 0.020 1 595 374 61 SER HA H 4.460 0.020 1 596 374 61 SER HB2 H 4.080 0.020 1 597 374 61 SER HB3 H 4.080 0.020 1 598 374 61 SER CA C 59.168 0.400 1 599 374 61 SER CB C 64.544 0.400 1 600 374 61 SER N N 115.281 0.400 1 601 375 62 THR H H 8.522 0.020 1 602 375 62 THR HA H 4.566 0.020 1 603 375 62 THR HB H 4.282 0.020 1 604 375 62 THR HG2 H 1.249 0.020 1 605 375 62 THR CA C 61.677 0.400 1 606 375 62 THR CB C 70.165 0.400 1 607 375 62 THR CG2 C 21.328 0.400 1 608 375 62 THR N N 114.974 0.400 1 609 376 63 GLY H H 8.498 0.020 1 610 376 63 GLY HA2 H 4.150 0.020 1 611 376 63 GLY HA3 H 4.150 0.020 1 612 376 63 GLY CA C 45.076 0.400 1 613 376 63 GLY N N 111.420 0.400 1 614 377 64 GLU H H 8.653 0.020 1 615 377 64 GLU HA H 4.442 0.020 1 616 377 64 GLU HB2 H 2.141 0.020 2 617 377 64 GLU HB3 H 1.949 0.020 2 618 377 64 GLU HG2 H 2.228 0.020 1 619 377 64 GLU HG3 H 2.228 0.020 1 620 377 64 GLU CA C 57.209 0.400 1 621 377 64 GLU CB C 31.059 0.400 1 622 377 64 GLU CG C 36.209 0.400 1 623 377 64 GLU N N 119.080 0.400 1 624 378 65 SER H H 8.269 0.020 1 625 378 65 SER HA H 4.318 0.020 1 626 378 65 SER HB2 H 4.040 0.020 1 627 378 65 SER HB3 H 4.040 0.020 1 628 378 65 SER CA C 61.618 0.400 1 629 378 65 SER CB C 63.004 0.400 1 630 378 65 SER N N 115.510 0.400 1 631 379 66 ALA H H 8.554 0.020 1 632 379 66 ALA HA H 3.994 0.020 1 633 379 66 ALA HB H 1.428 0.020 1 634 379 66 ALA CA C 55.922 0.400 1 635 379 66 ALA CB C 17.478 0.400 1 636 379 66 ALA N N 124.522 0.400 1 637 380 67 PHE H H 8.278 0.020 1 638 380 67 PHE HA H 3.970 0.020 1 639 380 67 PHE HB2 H 3.483 0.020 2 640 380 67 PHE HB3 H 3.172 0.020 2 641 380 67 PHE HD1 H 7.177 0.020 1 642 380 67 PHE HD2 H 7.177 0.020 1 643 380 67 PHE HE1 H 7.436 0.020 1 644 380 67 PHE HE2 H 7.436 0.020 1 645 380 67 PHE HZ H 7.100 0.020 1 646 380 67 PHE CA C 61.383 0.400 1 647 380 67 PHE CB C 39.201 0.400 1 648 380 67 PHE N N 118.168 0.400 1 649 381 68 LYS H H 8.020 0.020 1 650 381 68 LYS HA H 4.167 0.020 1 651 381 68 LYS HB2 H 2.075 0.020 1 652 381 68 LYS HB3 H 2.075 0.020 1 653 381 68 LYS HG2 H 1.674 0.020 2 654 381 68 LYS HG3 H 1.587 0.020 2 655 381 68 LYS HD2 H 1.809 0.020 1 656 381 68 LYS HD3 H 1.809 0.020 1 657 381 68 LYS HE2 H 3.033 0.020 1 658 381 68 LYS HE3 H 3.033 0.020 1 659 381 68 LYS CA C 59.429 0.400 1 660 381 68 LYS CB C 32.683 0.400 1 661 381 68 LYS CG C 25.268 0.400 1 662 381 68 LYS CD C 28.865 0.400 1 663 381 68 LYS CE C 42.033 0.400 1 664 381 68 LYS N N 117.428 0.400 1 665 382 69 MET H H 8.680 0.020 1 666 382 69 MET HA H 4.399 0.020 1 667 382 69 MET HB2 H 2.026 0.020 1 668 382 69 MET HB3 H 2.026 0.020 1 669 382 69 MET HG2 H 2.954 0.020 2 670 382 69 MET HG3 H 2.506 0.020 2 671 382 69 MET HE H 1.797 0.020 1 672 382 69 MET CA C 59.698 0.400 1 673 382 69 MET CB C 33.146 0.400 1 674 382 69 MET CG C 33.067 0.400 1 675 382 69 MET CE C 17.450 0.400 1 676 382 69 MET N N 116.528 0.400 1 677 383 70 ILE H H 9.379 0.020 1 678 383 70 ILE HA H 4.048 0.020 1 679 383 70 ILE HB H 2.119 0.020 1 680 383 70 ILE HG12 H 1.718 0.020 2 681 383 70 ILE HG13 H 1.506 0.020 2 682 383 70 ILE HG2 H 0.741 0.020 1 683 383 70 ILE HD1 H 0.826 0.020 1 684 383 70 ILE CA C 62.598 0.400 1 685 383 70 ILE CB C 34.103 0.400 1 686 383 70 ILE CG2 C 18.586 0.400 1 687 383 70 ILE CD1 C 9.286 0.400 1 688 383 70 ILE N N 124.678 0.400 1 689 384 71 LEU H H 8.258 0.020 1 690 384 71 LEU HA H 3.947 0.020 1 691 384 71 LEU HB2 H 2.070 0.020 2 692 384 71 LEU HB3 H 1.617 0.020 2 693 384 71 LEU HG H 1.464 0.020 1 694 384 71 LEU HD1 H 0.840 0.020 2 695 384 71 LEU HD2 H 0.549 0.020 2 696 384 71 LEU CA C 59.793 0.400 1 697 384 71 LEU CB C 41.538 0.400 1 698 384 71 LEU CG C 27.622 0.400 1 699 384 71 LEU CD1 C 26.373 0.400 1 700 384 71 LEU CD2 C 24.640 0.400 1 701 384 71 LEU N N 123.885 0.400 1 702 385 72 ASP H H 8.364 0.020 1 703 385 72 ASP HA H 4.427 0.020 1 704 385 72 ASP HB2 H 2.831 0.020 2 705 385 72 ASP HB3 H 2.605 0.020 2 706 385 72 ASP CA C 57.833 0.400 1 707 385 72 ASP CB C 39.981 0.400 1 708 385 72 ASP N N 117.008 0.400 1 709 386 73 LEU H H 7.847 0.020 1 710 386 73 LEU HA H 3.915 0.020 1 711 386 73 LEU HB2 H 1.961 0.020 2 712 386 73 LEU HB3 H 1.251 0.020 2 713 386 73 LEU HG H 1.154 0.020 1 714 386 73 LEU HD1 H 0.319 0.020 2 715 386 73 LEU HD2 H 0.234 0.020 2 716 386 73 LEU CA C 58.535 0.400 1 717 386 73 LEU CB C 41.434 0.400 1 718 386 73 LEU CG C 26.603 0.400 1 719 386 73 LEU CD1 C 25.141 0.400 1 720 386 73 LEU CD2 C 22.807 0.400 1 721 386 73 LEU N N 122.200 0.400 1 722 387 74 LEU H H 8.628 0.020 1 723 387 74 LEU HA H 3.870 0.020 1 724 387 74 LEU HB2 H 1.952 0.020 2 725 387 74 LEU HB3 H 1.282 0.020 2 726 387 74 LEU HG H 1.937 0.020 1 727 387 74 LEU HD1 H 0.961 0.020 2 728 387 74 LEU HD2 H 0.695 0.020 2 729 387 74 LEU CA C 58.545 0.400 1 730 387 74 LEU CB C 41.230 0.400 1 731 387 74 LEU CG C 26.791 0.400 1 732 387 74 LEU CD1 C 25.785 0.400 1 733 387 74 LEU CD2 C 21.980 0.400 1 734 387 74 LEU N N 117.624 0.400 1 735 388 75 LYS H H 8.743 0.020 1 736 388 75 LYS HA H 4.028 0.020 1 737 388 75 LYS HB2 H 2.007 0.020 2 738 388 75 LYS HB3 H 1.929 0.020 2 739 388 75 LYS HG2 H 1.680 0.020 2 740 388 75 LYS HG3 H 1.415 0.020 2 741 388 75 LYS HD2 H 1.714 0.020 1 742 388 75 LYS HD3 H 1.714 0.020 1 743 388 75 LYS HE2 H 2.973 0.020 1 744 388 75 LYS HE3 H 2.973 0.020 1 745 388 75 LYS CA C 60.671 0.400 1 746 388 75 LYS CB C 32.723 0.400 1 747 388 75 LYS CG C 25.414 0.400 1 748 388 75 LYS CD C 29.772 0.400 1 749 388 75 LYS CE C 41.316 0.400 1 750 388 75 LYS N N 117.223 0.400 1 751 389 76 SER H H 7.851 0.020 1 752 389 76 SER HA H 4.251 0.020 1 753 389 76 SER HB2 H 4.026 0.020 1 754 389 76 SER HB3 H 4.026 0.020 1 755 389 76 SER CA C 62.370 0.400 1 756 389 76 SER CB C 63.419 0.400 1 757 389 76 SER N N 114.183 0.400 1 758 390 77 LEU H H 8.589 0.020 1 759 390 77 LEU HA H 4.180 0.020 1 760 390 77 LEU HB2 H 1.825 0.020 2 761 390 77 LEU HB3 H 1.209 0.020 2 762 390 77 LEU HG H 1.938 0.020 1 763 390 77 LEU HD1 H 0.691 0.020 2 764 390 77 LEU HD2 H 0.555 0.020 2 765 390 77 LEU CA C 57.314 0.400 1 766 390 77 LEU CB C 41.691 0.400 1 767 390 77 LEU CG C 26.782 0.400 1 768 390 77 LEU CD1 C 22.525 0.400 1 769 390 77 LEU CD2 C 26.001 0.400 1 770 390 77 LEU N N 119.661 0.400 1 771 391 78 TRP H H 8.515 0.020 1 772 391 78 TRP HA H 4.728 0.020 1 773 391 78 TRP HB2 H 3.542 0.020 2 774 391 78 TRP HB3 H 3.238 0.020 2 775 391 78 TRP HD1 H 7.119 0.020 1 776 391 78 TRP HE1 H 9.735 0.020 1 777 391 78 TRP HE3 H 7.562 0.020 1 778 391 78 TRP HZ2 H 7.441 0.020 1 779 391 78 TRP HZ3 H 6.958 0.020 1 780 391 78 TRP HH2 H 7.169 0.020 1 781 391 78 TRP CA C 60.108 0.400 1 782 391 78 TRP CB C 29.494 0.400 1 783 391 78 TRP N N 120.675 0.400 1 784 391 78 TRP NE1 N 128.819 0.400 1 785 392 79 LYS H H 8.555 0.020 1 786 392 79 LYS HA H 3.746 0.020 1 787 392 79 LYS HB2 H 2.140 0.020 2 788 392 79 LYS HB3 H 2.068 0.020 2 789 392 79 LYS HG2 H 1.743 0.020 2 790 392 79 LYS HG3 H 1.596 0.020 2 791 392 79 LYS HD2 H 1.763 0.020 1 792 392 79 LYS HD3 H 1.763 0.020 1 793 392 79 LYS HE2 H 3.020 0.020 1 794 392 79 LYS HE3 H 3.020 0.020 1 795 392 79 LYS CA C 59.467 0.400 1 796 392 79 LYS CB C 32.105 0.400 1 797 392 79 LYS CG C 25.443 0.400 1 798 392 79 LYS CD C 28.979 0.400 1 799 392 79 LYS CE C 41.857 0.400 1 800 392 79 LYS N N 122.230 0.400 1 801 393 80 SER H H 8.097 0.020 1 802 393 80 SER HA H 4.425 0.020 1 803 393 80 SER HB2 H 4.176 0.020 1 804 393 80 SER HB3 H 4.176 0.020 1 805 393 80 SER CA C 58.003 0.400 1 806 393 80 SER CB C 63.724 0.400 1 807 393 80 SER N N 111.741 0.400 1 808 394 81 SER H H 7.794 0.020 1 809 394 81 SER HA H 4.074 0.020 1 810 394 81 SER HB2 H 4.035 0.020 1 811 394 81 SER HB3 H 4.035 0.020 1 812 394 81 SER CA C 59.485 0.400 1 813 394 81 SER CB C 61.378 0.400 1 814 394 81 SER N N 114.091 0.400 1 815 395 82 THR H H 8.280 0.020 1 816 395 82 THR HA H 4.044 0.020 1 817 395 82 THR HB H 4.058 0.020 1 818 395 82 THR HG2 H 1.155 0.020 1 819 395 82 THR CA C 66.032 0.400 1 820 395 82 THR CB C 68.171 0.400 1 821 395 82 THR CG2 C 23.131 0.400 1 822 395 82 THR N N 117.790 0.400 1 823 396 83 ILE H H 7.058 0.020 1 824 396 83 ILE HA H 4.984 0.020 1 825 396 83 ILE HB H 1.599 0.020 1 826 396 83 ILE HG12 H 1.395 0.020 2 827 396 83 ILE HG13 H 0.885 0.020 2 828 396 83 ILE HG2 H 1.060 0.020 1 829 396 83 ILE HD1 H 0.732 0.020 1 830 396 83 ILE CA C 59.260 0.400 1 831 396 83 ILE CB C 39.564 0.400 1 832 396 83 ILE CG1 C 27.360 0.400 1 833 396 83 ILE CG2 C 18.152 0.400 1 834 396 83 ILE CD1 C 13.860 0.400 1 835 396 83 ILE N N 117.100 0.400 1 836 397 84 THR HA H 4.481 0.020 1 837 397 84 THR HB H 4.734 0.020 1 838 397 84 THR HG2 H 1.275 0.020 1 839 397 84 THR CA C 60.591 0.400 1 840 397 84 THR CB C 71.451 0.400 1 841 397 84 THR CG2 C 21.795 0.400 1 842 398 85 ILE H H 9.022 0.020 1 843 398 85 ILE HA H 4.119 0.020 1 844 398 85 ILE HB H 2.108 0.020 1 845 398 85 ILE HG12 H 1.767 0.020 2 846 398 85 ILE HG13 H 1.484 0.020 2 847 398 85 ILE HG2 H 1.134 0.020 1 848 398 85 ILE HD1 H 1.064 0.020 1 849 398 85 ILE CA C 64.980 0.400 1 850 398 85 ILE CB C 38.307 0.400 1 851 398 85 ILE CG1 C 29.150 0.400 1 852 398 85 ILE CG2 C 16.987 0.400 1 853 398 85 ILE CD1 C 13.746 0.400 1 854 398 85 ILE N N 120.837 0.400 1 855 399 86 ASP H H 8.411 0.020 1 856 399 86 ASP HA H 4.468 0.020 1 857 399 86 ASP HB2 H 2.653 0.020 1 858 399 86 ASP HB3 H 2.653 0.020 1 859 399 86 ASP CA C 57.365 0.400 1 860 399 86 ASP CB C 41.121 0.400 1 861 399 86 ASP N N 118.925 0.400 1 862 400 87 GLN H H 7.510 0.020 1 863 400 87 GLN HA H 4.051 0.020 1 864 400 87 GLN HB2 H 2.495 0.020 1 865 400 87 GLN HB3 H 2.495 0.020 1 866 400 87 GLN CA C 58.674 0.400 1 867 400 87 GLN CB C 28.735 0.400 1 868 400 87 GLN N N 119.722 0.400 1 869 401 88 MET H H 8.354 0.020 1 870 401 88 MET HA H 4.309 0.020 1 871 401 88 MET HB2 H 2.286 0.020 1 872 401 88 MET HB3 H 2.286 0.020 1 873 401 88 MET HG2 H 2.659 0.020 2 874 401 88 MET HG3 H 2.602 0.020 2 875 401 88 MET HE H 1.984 0.020 1 876 401 88 MET CA C 58.398 0.400 1 877 401 88 MET CB C 32.844 0.400 1 878 401 88 MET CG C 32.538 0.400 1 879 401 88 MET CE C 17.900 0.400 1 880 401 88 MET N N 118.784 0.400 1 881 402 89 LYS H H 8.454 0.020 1 882 402 89 LYS HA H 3.950 0.020 1 883 402 89 LYS HB2 H 1.976 0.020 1 884 402 89 LYS HB3 H 1.976 0.020 1 885 402 89 LYS HG2 H 1.458 0.020 2 886 402 89 LYS HG3 H 1.331 0.020 2 887 402 89 LYS HD2 H 1.708 0.020 1 888 402 89 LYS HD3 H 1.708 0.020 1 889 402 89 LYS HE2 H 2.965 0.020 1 890 402 89 LYS HE3 H 2.965 0.020 1 891 402 89 LYS CA C 59.946 0.400 1 892 402 89 LYS CB C 32.816 0.400 1 893 402 89 LYS CG C 24.595 0.400 1 894 402 89 LYS CD C 29.779 0.400 1 895 402 89 LYS CE C 41.717 0.400 1 896 402 89 LYS N N 118.389 0.400 1 897 403 90 ARG H H 7.708 0.020 1 898 403 90 ARG HA H 4.177 0.020 1 899 403 90 ARG HB2 H 1.824 0.020 1 900 403 90 ARG HB3 H 1.824 0.020 1 901 403 90 ARG HG2 H 1.649 0.020 2 902 403 90 ARG HG3 H 1.402 0.020 2 903 403 90 ARG HD2 H 2.964 0.020 2 904 403 90 ARG HD3 H 2.764 0.020 2 905 403 90 ARG CA C 58.999 0.400 1 906 403 90 ARG CB C 30.325 0.400 1 907 403 90 ARG CG C 27.446 0.400 1 908 403 90 ARG CD C 43.289 0.400 1 909 403 90 ARG N N 116.318 0.400 1 910 404 91 GLY H H 8.160 0.020 1 911 404 91 GLY HA2 H 3.985 0.020 2 912 404 91 GLY HA3 H 3.750 0.020 2 913 404 91 GLY CA C 48.188 0.400 1 914 404 91 GLY N N 106.298 0.400 1 915 405 92 TYR H H 8.185 0.020 1 916 405 92 TYR HA H 3.673 0.020 1 917 405 92 TYR HB2 H 2.923 0.020 2 918 405 92 TYR HB3 H 2.172 0.020 2 919 405 92 TYR HD1 H 7.182 0.020 1 920 405 92 TYR HD2 H 7.182 0.020 1 921 405 92 TYR HE1 H 6.598 0.020 1 922 405 92 TYR HE2 H 6.598 0.020 1 923 405 92 TYR CA C 62.604 0.400 1 924 405 92 TYR CB C 38.423 0.400 1 925 405 92 TYR N N 119.756 0.400 1 926 406 93 GLU H H 8.635 0.020 1 927 406 93 GLU HA H 3.667 0.020 1 928 406 93 GLU HB2 H 2.163 0.020 2 929 406 93 GLU HB3 H 1.929 0.020 2 930 406 93 GLU HG2 H 2.549 0.020 2 931 406 93 GLU HG3 H 2.138 0.020 2 932 406 93 GLU CA C 60.155 0.400 1 933 406 93 GLU CB C 29.458 0.400 1 934 406 93 GLU CG C 37.622 0.400 1 935 406 93 GLU N N 116.301 0.400 1 936 407 94 ARG H H 7.666 0.020 1 937 407 94 ARG HA H 4.147 0.020 1 938 407 94 ARG HB2 H 1.952 0.020 1 939 407 94 ARG HB3 H 1.952 0.020 1 940 407 94 ARG HG2 H 1.353 0.020 1 941 407 94 ARG HG3 H 1.353 0.020 1 942 407 94 ARG HD2 H 2.943 0.020 2 943 407 94 ARG HD3 H 2.474 0.020 2 944 407 94 ARG HE H 6.708 0.020 1 945 407 94 ARG CA C 60.046 0.400 1 946 407 94 ARG CB C 30.694 0.400 1 947 407 94 ARG CG C 27.097 0.400 1 948 407 94 ARG CD C 44.008 0.400 1 949 407 94 ARG N N 117.933 0.400 1 950 407 94 ARG NE N 83.844 0.400 1 951 408 95 ILE H H 7.429 0.020 1 952 408 95 ILE HA H 4.019 0.020 1 953 408 95 ILE HB H 2.210 0.020 1 954 408 95 ILE HG12 H 1.579 0.020 2 955 408 95 ILE HG13 H 1.178 0.020 2 956 408 95 ILE HG2 H 0.942 0.020 1 957 408 95 ILE HD1 H 0.502 0.020 1 958 408 95 ILE CA C 61.992 0.400 1 959 408 95 ILE CB C 35.720 0.400 1 960 408 95 ILE CG1 C 27.518 0.400 1 961 408 95 ILE CG2 C 18.823 0.400 1 962 408 95 ILE CD1 C 10.940 0.400 1 963 408 95 ILE N N 119.770 0.400 1 964 409 96 TYR H H 8.851 0.020 1 965 409 96 TYR HA H 4.381 0.020 1 966 409 96 TYR HB2 H 3.417 0.020 2 967 409 96 TYR HB3 H 3.231 0.020 2 968 409 96 TYR HD1 H 6.996 0.020 1 969 409 96 TYR HD2 H 6.996 0.020 1 970 409 96 TYR HE1 H 6.865 0.020 1 971 409 96 TYR HE2 H 6.865 0.020 1 972 409 96 TYR CA C 57.538 0.400 1 973 409 96 TYR CB C 35.761 0.400 1 974 409 96 TYR N N 119.656 0.400 1 975 410 97 ASN H H 7.944 0.020 1 976 410 97 ASN HA H 4.652 0.020 1 977 410 97 ASN HB2 H 3.020 0.020 2 978 410 97 ASN HB3 H 2.971 0.020 2 979 410 97 ASN HD21 H 7.693 0.020 2 980 410 97 ASN HD22 H 7.019 0.020 2 981 410 97 ASN CA C 55.540 0.400 1 982 410 97 ASN CB C 39.508 0.400 1 983 410 97 ASN N N 115.056 0.400 1 984 410 97 ASN ND2 N 113.114 0.400 1 985 411 98 GLU H H 7.959 0.020 1 986 411 98 GLU HA H 4.567 0.020 1 987 411 98 GLU HB2 H 2.423 0.020 2 988 411 98 GLU HB3 H 2.045 0.020 2 989 411 98 GLU HG2 H 2.696 0.020 2 990 411 98 GLU HG3 H 2.434 0.020 2 991 411 98 GLU CA C 57.012 0.400 1 992 411 98 GLU CB C 31.333 0.400 1 993 411 98 GLU CG C 36.612 0.400 1 994 411 98 GLU N N 117.539 0.400 1 995 412 99 ILE H H 8.272 0.020 1 996 412 99 ILE HA H 4.260 0.020 1 997 412 99 ILE HB H 2.010 0.020 1 998 412 99 ILE HG12 H 1.115 0.020 1 999 412 99 ILE HG13 H 1.115 0.020 1 1000 412 99 ILE HG2 H 1.035 0.020 1 1001 412 99 ILE HD1 H 0.676 0.020 1 1002 412 99 ILE CA C 62.986 0.400 1 1003 412 99 ILE CB C 38.773 0.400 1 1004 412 99 ILE CG1 C 28.986 0.400 1 1005 412 99 ILE CG2 C 18.842 0.400 1 1006 412 99 ILE CD1 C 15.100 0.400 1 1007 412 99 ILE N N 122.133 0.400 1 1008 413 100 PRO HA H 4.435 0.020 1 1009 413 100 PRO HB2 H 2.378 0.020 2 1010 413 100 PRO HB3 H 1.842 0.020 2 1011 413 100 PRO HG2 H 2.085 0.020 2 1012 413 100 PRO HG3 H 1.990 0.020 2 1013 413 100 PRO HD2 H 3.815 0.020 2 1014 413 100 PRO HD3 H 3.514 0.020 2 1015 413 100 PRO CA C 66.156 0.400 1 1016 413 100 PRO CB C 30.864 0.400 1 1017 413 100 PRO CG C 28.341 0.400 1 1018 413 100 PRO CD C 51.195 0.400 1 1019 414 101 ASP H H 7.583 0.020 1 1020 414 101 ASP HA H 4.645 0.020 1 1021 414 101 ASP HB2 H 2.806 0.020 2 1022 414 101 ASP HB3 H 2.771 0.020 2 1023 414 101 ASP CA C 56.000 0.400 1 1024 414 101 ASP CB C 41.234 0.400 1 1025 414 101 ASP N N 115.880 0.400 1 1026 415 102 ILE H H 8.004 0.020 1 1027 415 102 ILE HA H 3.926 0.020 1 1028 415 102 ILE HB H 1.794 0.020 1 1029 415 102 ILE HG12 H 1.684 0.020 2 1030 415 102 ILE HG13 H 1.152 0.020 2 1031 415 102 ILE HG2 H 0.906 0.020 1 1032 415 102 ILE HD1 H 0.778 0.020 1 1033 415 102 ILE CA C 64.244 0.400 1 1034 415 102 ILE CB C 38.943 0.400 1 1035 415 102 ILE CG1 C 28.360 0.400 1 1036 415 102 ILE CG2 C 16.123 0.400 1 1037 415 102 ILE CD1 C 13.523 0.400 1 1038 415 102 ILE N N 122.943 0.400 1 1039 416 103 ASN H H 8.577 0.020 1 1040 416 103 ASN HA H 4.627 0.020 1 1041 416 103 ASN HB2 H 2.770 0.020 2 1042 416 103 ASN HB3 H 2.619 0.020 2 1043 416 103 ASN HD21 H 7.660 0.020 2 1044 416 103 ASN HD22 H 6.914 0.020 2 1045 416 103 ASN CA C 54.673 0.400 1 1046 416 103 ASN CB C 39.875 0.400 1 1047 416 103 ASN N N 117.570 0.400 1 1048 416 103 ASN ND2 N 113.974 0.400 1 1049 417 104 LEU H H 7.401 0.020 1 1050 417 104 LEU HA H 4.208 0.020 1 1051 417 104 LEU HB2 H 1.830 0.020 2 1052 417 104 LEU HB3 H 1.558 0.020 2 1053 417 104 LEU HG H 1.903 0.020 1 1054 417 104 LEU HD1 H 0.982 0.020 2 1055 417 104 LEU HD2 H 0.910 0.020 2 1056 417 104 LEU CA C 56.329 0.400 1 1057 417 104 LEU CB C 42.037 0.400 1 1058 417 104 LEU CG C 26.580 0.400 1 1059 417 104 LEU CD1 C 25.265 0.400 1 1060 417 104 LEU CD2 C 22.754 0.400 1 1061 417 104 LEU N N 117.599 0.400 1 1062 418 105 ASP HA H 4.732 0.020 1 1063 418 105 ASP HB2 H 2.780 0.020 2 1064 418 105 ASP HB3 H 2.636 0.020 2 1065 418 105 ASP CA C 55.057 0.400 1 1066 418 105 ASP CB C 42.246 0.400 1 1067 419 106 VAL HA H 4.119 0.020 1 1068 419 106 VAL HB H 2.093 0.020 1 1069 419 106 VAL HG1 H 0.949 0.020 2 1070 419 106 VAL HG2 H 0.952 0.020 2 1071 419 106 VAL CA C 62.148 0.400 1 1072 419 106 VAL CB C 32.795 0.400 1 1073 419 106 VAL CG1 C 21.228 0.400 1 1074 419 106 VAL CG2 C 20.291 0.400 1 1075 420 107 PRO HA H 4.557 0.020 1 1076 420 107 PRO HB2 H 2.389 0.020 2 1077 420 107 PRO HB3 H 2.138 0.020 2 1078 420 107 PRO HG2 H 1.942 0.020 2 1079 420 107 PRO HG3 H 1.816 0.020 2 1080 420 107 PRO HD2 H 3.580 0.020 1 1081 420 107 PRO HD3 H 3.580 0.020 1 1082 420 107 PRO CA C 62.339 0.400 1 1083 420 107 PRO CB C 34.662 0.400 1 1084 420 107 PRO CG C 24.713 0.400 1 1085 420 107 PRO CD C 50.300 0.400 1 1086 421 108 HIS H H 8.654 0.020 1 1087 421 108 HIS HA H 4.803 0.020 1 1088 421 108 HIS HB2 H 3.475 0.020 2 1089 421 108 HIS HB3 H 3.268 0.020 2 1090 421 108 HIS HD2 H 7.092 0.020 1 1091 421 108 HIS HE1 H 8.136 0.020 1 1092 421 108 HIS CA C 56.972 0.400 1 1093 421 108 HIS CB C 28.715 0.400 1 1094 421 108 HIS N N 123.084 0.400 1 1095 422 109 SER HA H 4.133 0.020 1 1096 422 109 SER HB2 H 3.859 0.020 1 1097 422 109 SER HB3 H 3.859 0.020 1 1098 422 109 SER CA C 62.654 0.400 1 1099 422 109 SER CB C 63.026 0.400 1 1100 423 110 TYR H H 8.323 0.020 1 1101 423 110 TYR HA H 4.089 0.020 1 1102 423 110 TYR HB2 H 3.013 0.020 1 1103 423 110 TYR HB3 H 3.013 0.020 1 1104 423 110 TYR HD1 H 7.110 0.020 1 1105 423 110 TYR HD2 H 7.110 0.020 1 1106 423 110 TYR HE1 H 6.695 0.020 1 1107 423 110 TYR HE2 H 6.695 0.020 1 1108 423 110 TYR CA C 62.665 0.400 1 1109 423 110 TYR CB C 37.507 0.400 1 1110 423 110 TYR N N 121.059 0.400 1 1111 424 111 SER H H 7.833 0.020 1 1112 424 111 SER HA H 4.299 0.020 1 1113 424 111 SER HB2 H 3.977 0.020 1 1114 424 111 SER HB3 H 3.977 0.020 1 1115 424 111 SER CA C 61.578 0.400 1 1116 424 111 SER CB C 62.817 0.400 1 1117 424 111 SER N N 113.961 0.400 1 1118 425 112 VAL H H 7.787 0.020 1 1119 425 112 VAL HA H 3.815 0.020 1 1120 425 112 VAL HB H 2.107 0.020 1 1121 425 112 VAL HG1 H 1.116 0.020 2 1122 425 112 VAL HG2 H 1.103 0.020 2 1123 425 112 VAL CA C 66.719 0.400 1 1124 425 112 VAL CB C 31.622 0.400 1 1125 425 112 VAL CG1 C 22.292 0.400 1 1126 425 112 VAL CG2 C 22.204 0.400 1 1127 425 112 VAL N N 122.939 0.400 1 1128 426 113 LEU H H 8.412 0.020 1 1129 426 113 LEU HA H 4.028 0.020 1 1130 426 113 LEU HB2 H 2.095 0.020 2 1131 426 113 LEU HB3 H 1.526 0.020 2 1132 426 113 LEU HG H 1.996 0.020 1 1133 426 113 LEU HD1 H 1.052 0.020 2 1134 426 113 LEU HD2 H 1.050 0.020 2 1135 426 113 LEU CA C 58.538 0.400 1 1136 426 113 LEU CB C 41.145 0.400 1 1137 426 113 LEU CG C 26.963 0.400 1 1138 426 113 LEU CD1 C 27.041 0.400 1 1139 426 113 LEU CD2 C 23.652 0.400 1 1140 426 113 LEU N N 120.284 0.400 1 1141 427 114 GLU H H 8.455 0.020 1 1142 427 114 GLU HA H 4.190 0.020 1 1143 427 114 GLU HB2 H 2.241 0.020 2 1144 427 114 GLU HB3 H 2.071 0.020 2 1145 427 114 GLU HG2 H 2.498 0.020 1 1146 427 114 GLU HG3 H 2.498 0.020 1 1147 427 114 GLU CA C 59.527 0.400 1 1148 427 114 GLU CB C 28.352 0.400 1 1149 427 114 GLU CG C 35.928 0.400 1 1150 427 114 GLU N N 116.844 0.400 1 1151 428 115 ARG H H 7.854 0.020 1 1152 428 115 ARG HA H 4.280 0.020 1 1153 428 115 ARG HB2 H 2.215 0.020 1 1154 428 115 ARG HB3 H 2.215 0.020 1 1155 428 115 ARG HG2 H 2.000 0.020 2 1156 428 115 ARG HG3 H 1.808 0.020 2 1157 428 115 ARG HD2 H 3.236 0.020 2 1158 428 115 ARG HD3 H 3.161 0.020 2 1159 428 115 ARG HE H 7.128 0.020 1 1160 428 115 ARG CA C 59.608 0.400 1 1161 428 115 ARG CB C 30.854 0.400 1 1162 428 115 ARG CG C 28.212 0.400 1 1163 428 115 ARG CD C 43.632 0.400 1 1164 428 115 ARG N N 119.601 0.400 1 1165 428 115 ARG NE N 83.928 0.400 1 1166 429 116 PHE H H 9.181 0.020 1 1167 429 116 PHE HA H 4.025 0.020 1 1168 429 116 PHE HB2 H 3.169 0.020 2 1169 429 116 PHE HB3 H 3.075 0.020 2 1170 429 116 PHE HD1 H 6.233 0.020 1 1171 429 116 PHE HD2 H 6.233 0.020 1 1172 429 116 PHE HE1 H 6.969 0.020 1 1173 429 116 PHE HE2 H 6.969 0.020 1 1174 429 116 PHE HZ H 6.718 0.020 1 1175 429 116 PHE CA C 62.964 0.400 1 1176 429 116 PHE CB C 39.418 0.400 1 1177 429 116 PHE N N 122.309 0.400 1 1178 430 117 VAL H H 9.649 0.020 1 1179 430 117 VAL HA H 3.590 0.020 1 1180 430 117 VAL HB H 2.442 0.020 1 1181 430 117 VAL HG1 H 1.532 0.020 2 1182 430 117 VAL HG2 H 1.173 0.020 2 1183 430 117 VAL CA C 67.582 0.400 1 1184 430 117 VAL CB C 31.839 0.400 1 1185 430 117 VAL CG1 C 24.222 0.400 1 1186 430 117 VAL CG2 C 22.446 0.400 1 1187 430 117 VAL N N 121.092 0.400 1 1188 431 118 GLU H H 8.234 0.020 1 1189 431 118 GLU HA H 4.338 0.020 1 1190 431 118 GLU HB2 H 2.252 0.020 1 1191 431 118 GLU HB3 H 2.252 0.020 1 1192 431 118 GLU HG2 H 2.532 0.020 2 1193 431 118 GLU HG3 H 2.287 0.020 2 1194 431 118 GLU CA C 59.639 0.400 1 1195 431 118 GLU CB C 28.722 0.400 1 1196 431 118 GLU CG C 34.918 0.400 1 1197 431 118 GLU N N 121.897 0.400 1 1198 432 119 GLU H H 8.295 0.020 1 1199 432 119 GLU HA H 4.083 0.020 1 1200 432 119 GLU HB2 H 2.160 0.020 2 1201 432 119 GLU HB3 H 2.031 0.020 2 1202 432 119 GLU HG2 H 2.591 0.020 2 1203 432 119 GLU HG3 H 2.544 0.020 2 1204 432 119 GLU CA C 59.839 0.400 1 1205 432 119 GLU CB C 28.742 0.400 1 1206 432 119 GLU CG C 36.449 0.400 1 1207 432 119 GLU N N 118.757 0.400 1 1208 433 120 CYS H H 8.313 0.020 1 1209 433 120 CYS HA H 3.700 0.020 1 1210 433 120 CYS HB2 H 3.129 0.020 2 1211 433 120 CYS HB3 H 2.113 0.020 2 1212 433 120 CYS CA C 64.048 0.400 1 1213 433 120 CYS CB C 26.226 0.400 1 1214 433 120 CYS N N 119.149 0.400 1 1215 434 121 PHE H H 8.656 0.020 1 1216 434 121 PHE HA H 4.240 0.020 1 1217 434 121 PHE HB2 H 3.269 0.020 2 1218 434 121 PHE HB3 H 2.855 0.020 2 1219 434 121 PHE HD1 H 7.181 0.020 1 1220 434 121 PHE HD2 H 7.181 0.020 1 1221 434 121 PHE HE1 H 7.284 0.020 1 1222 434 121 PHE HE2 H 7.284 0.020 1 1223 434 121 PHE CA C 60.497 0.400 1 1224 434 121 PHE CB C 38.978 0.400 1 1225 434 121 PHE N N 122.561 0.400 1 1226 435 122 GLN H H 8.906 0.020 1 1227 435 122 GLN HA H 3.581 0.020 1 1228 435 122 GLN HB2 H 2.162 0.020 2 1229 435 122 GLN HB3 H 1.977 0.020 2 1230 435 122 GLN HG2 H 2.622 0.020 2 1231 435 122 GLN HG3 H 2.583 0.020 2 1232 435 122 GLN HE21 H 8.042 0.020 2 1233 435 122 GLN HE22 H 6.853 0.020 2 1234 435 122 GLN CA C 58.367 0.400 1 1235 435 122 GLN CB C 27.483 0.400 1 1236 435 122 GLN CG C 33.140 0.400 1 1237 435 122 GLN N N 121.579 0.400 1 1238 435 122 GLN NE2 N 112.801 0.400 1 1239 436 123 ALA H H 7.511 0.020 1 1240 436 123 ALA HA H 4.283 0.020 1 1241 436 123 ALA HB H 1.420 0.020 1 1242 436 123 ALA CA C 52.175 0.400 1 1243 436 123 ALA CB C 19.002 0.400 1 1244 436 123 ALA N N 117.910 0.400 1 1245 437 124 GLY H H 7.626 0.020 1 1246 437 124 GLY HA2 H 3.948 0.020 2 1247 437 124 GLY HA3 H 3.768 0.020 2 1248 437 124 GLY CA C 45.202 0.400 1 1249 437 124 GLY N N 105.989 0.400 1 1250 438 125 ILE H H 7.177 0.020 1 1251 438 125 ILE HA H 2.788 0.020 1 1252 438 125 ILE HB H 1.234 0.020 1 1253 438 125 ILE HG12 H 0.948 0.020 2 1254 438 125 ILE HG13 H 0.818 0.020 2 1255 438 125 ILE HG2 H 0.365 0.020 1 1256 438 125 ILE HD1 H 0.638 0.020 1 1257 438 125 ILE CA C 61.619 0.400 1 1258 438 125 ILE CB C 37.972 0.400 1 1259 438 125 ILE CG2 C 17.671 0.400 1 1260 438 125 ILE CD1 C 14.170 0.400 1 1261 438 125 ILE N N 111.574 0.400 1 1262 439 126 ILE H H 6.455 0.020 1 1263 439 126 ILE HA H 4.298 0.020 1 1264 439 126 ILE HB H 1.575 0.020 1 1265 439 126 ILE HG12 H 1.244 0.020 2 1266 439 126 ILE HG13 H 0.322 0.020 2 1267 439 126 ILE HG2 H 0.193 0.020 1 1268 439 126 ILE HD1 H 0.526 0.020 1 1269 439 126 ILE CA C 58.581 0.400 1 1270 439 126 ILE CB C 42.100 0.400 1 1271 439 126 ILE CG1 C 24.558 0.400 1 1272 439 126 ILE CG2 C 18.092 0.400 1 1273 439 126 ILE CD1 C 14.165 0.400 1 1274 439 126 ILE N N 107.220 0.400 1 1275 440 127 SER H H 7.937 0.020 1 1276 440 127 SER HA H 4.492 0.020 1 1277 440 127 SER HB2 H 4.378 0.020 2 1278 440 127 SER HB3 H 4.040 0.020 2 1279 440 127 SER CA C 56.739 0.400 1 1280 440 127 SER CB C 65.561 0.400 1 1281 440 127 SER N N 116.729 0.400 1 1282 441 128 LYS H H 9.050 0.020 1 1283 441 128 LYS HA H 3.306 0.020 1 1284 441 128 LYS HB2 H 1.940 0.020 2 1285 441 128 LYS HB3 H 1.728 0.020 2 1286 441 128 LYS HG2 H 1.368 0.020 2 1287 441 128 LYS HG3 H 1.016 0.020 2 1288 441 128 LYS HD2 H 1.633 0.020 2 1289 441 128 LYS HD3 H 1.427 0.020 2 1290 441 128 LYS HE2 H 2.950 0.020 2 1291 441 128 LYS HE3 H 2.901 0.020 2 1292 441 128 LYS CA C 59.120 0.400 1 1293 441 128 LYS CB C 32.300 0.400 1 1294 441 128 LYS CG C 24.747 0.400 1 1295 441 128 LYS CD C 28.443 0.400 1 1296 441 128 LYS CE C 41.967 0.400 1 1297 441 128 LYS N N 121.847 0.400 1 1298 442 129 GLN H H 8.137 0.020 1 1299 442 129 GLN HA H 3.967 0.020 1 1300 442 129 GLN HB2 H 2.051 0.020 2 1301 442 129 GLN HB3 H 1.933 0.020 2 1302 442 129 GLN HG2 H 2.401 0.020 2 1303 442 129 GLN HG3 H 2.355 0.020 2 1304 442 129 GLN HE21 H 7.572 0.020 2 1305 442 129 GLN HE22 H 6.936 0.020 2 1306 442 129 GLN CA C 59.379 0.400 1 1307 442 129 GLN CB C 27.963 0.400 1 1308 442 129 GLN CG C 34.042 0.400 1 1309 442 129 GLN N N 116.563 0.400 1 1310 442 129 GLN NE2 N 112.434 0.400 1 1311 443 130 LEU H H 7.627 0.020 1 1312 443 130 LEU HA H 4.215 0.020 1 1313 443 130 LEU HB2 H 1.503 0.020 1 1314 443 130 LEU HB3 H 1.503 0.020 1 1315 443 130 LEU HG H 1.468 0.020 1 1316 443 130 LEU HD1 H 0.997 0.020 2 1317 443 130 LEU HD2 H 0.727 0.020 2 1318 443 130 LEU CA C 57.097 0.400 1 1319 443 130 LEU CB C 42.290 0.400 1 1320 443 130 LEU CG C 27.003 0.400 1 1321 443 130 LEU CD1 C 24.234 0.400 1 1322 443 130 LEU CD2 C 25.178 0.400 1 1323 443 130 LEU N N 119.886 0.400 1 1324 444 131 ARG H H 8.094 0.020 1 1325 444 131 ARG HA H 3.706 0.020 1 1326 444 131 ARG HB2 H 1.588 0.020 2 1327 444 131 ARG HB3 H 1.396 0.020 2 1328 444 131 ARG HG2 H 1.298 0.020 2 1329 444 131 ARG HG3 H 1.269 0.020 2 1330 444 131 ARG HD2 H 2.668 0.020 2 1331 444 131 ARG HD3 H 2.520 0.020 2 1332 444 131 ARG HE H 7.854 0.020 1 1333 444 131 ARG CA C 58.901 0.400 1 1334 444 131 ARG CB C 28.804 0.400 1 1335 444 131 ARG CG C 25.817 0.400 1 1336 444 131 ARG CD C 42.857 0.400 1 1337 444 131 ARG N N 123.589 0.400 1 1338 444 131 ARG NE N 84.231 0.400 1 1339 445 132 ASP H H 8.666 0.020 1 1340 445 132 ASP HA H 4.279 0.020 1 1341 445 132 ASP HB2 H 2.597 0.020 1 1342 445 132 ASP HB3 H 2.597 0.020 1 1343 445 132 ASP CA C 56.281 0.400 1 1344 445 132 ASP CB C 39.846 0.400 1 1345 445 132 ASP N N 120.090 0.400 1 1346 446 133 LEU H H 7.088 0.020 1 1347 446 133 LEU HA H 4.100 0.020 1 1348 446 133 LEU HB2 H 1.893 0.020 2 1349 446 133 LEU HB3 H 1.716 0.020 2 1350 446 133 LEU HG H 1.859 0.020 1 1351 446 133 LEU HD1 H 0.968 0.020 2 1352 446 133 LEU HD2 H 0.914 0.020 2 1353 446 133 LEU CA C 54.742 0.400 1 1354 446 133 LEU CB C 43.360 0.400 1 1355 446 133 LEU CG C 26.661 0.400 1 1356 446 133 LEU CD1 C 25.099 0.400 1 1357 446 133 LEU CD2 C 23.035 0.400 1 1358 446 133 LEU N N 119.581 0.400 1 1359 447 134 CYS H H 7.130 0.020 1 1360 447 134 CYS HA H 3.063 0.020 1 1361 447 134 CYS HB2 H 3.076 0.020 2 1362 447 134 CYS HB3 H 2.788 0.020 2 1363 447 134 CYS CA C 56.985 0.400 1 1364 447 134 CYS CB C 27.289 0.400 1 1365 447 134 CYS N N 122.270 0.400 1 1366 448 135 PRO HA H 4.197 0.020 1 1367 448 135 PRO HB2 H 2.293 0.020 2 1368 448 135 PRO HB3 H 1.896 0.020 2 1369 448 135 PRO HG2 H 1.968 0.020 1 1370 448 135 PRO HG3 H 1.968 0.020 1 1371 448 135 PRO HD2 H 3.559 0.020 2 1372 448 135 PRO HD3 H 3.224 0.020 2 1373 448 135 PRO CA C 64.498 0.400 1 1374 448 135 PRO CB C 32.659 0.400 1 1375 448 135 PRO CG C 27.567 0.400 1 1376 448 135 PRO CD C 51.184 0.400 1 stop_ save_