data_5224 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N Chemical shifts assignments for the C-terminal domain (region 428-547) of human lamin A/C ; _BMRB_accession_number 5224 _BMRB_flat_file_name bmr5224.str _Entry_type original _Submission_date 2001-12-05 _Accession_date 2001-12-05 _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 Krimm Isabelle . . 2 Couprie Joel . . 3 Ostlund Cecilia . . 4 Worman Howard J . 5 Zinn-Justin Sophie . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 676 "13C chemical shifts" 492 "15N chemical shifts" 127 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-08-22 original author . stop_ _Original_release_date 2002-08-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 13C and 15N resonance assignments of the C-terminal domain of human lamin A/C ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22012547 _PubMed_ID 12018485 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Krimm Isabelle . . 2 Couprie Joel . . 3 Ostlund Cecilia . . 4 Worman Howard J . 5 Zinn-Justin Sophie . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 22 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 371 _Page_last 372 _Year 2002 _Details . loop_ _Keyword lamin LMNA dystrophy 'intermediate filament' stop_ save_ ################################## # Molecular system description # ################################## save_system_lamin_A_C _Saveframe_category molecular_system _Mol_system_name 'C-terminal domain of human lamin A/C' _Abbreviation_common 'lamin A/C' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label lamin $lamin stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'protein of the nuclear lamina' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_lamin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'lamin A/C' _Abbreviation_common 'lamin A/C' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 120 _Mol_residue_sequence ; SSFSQHARTSGRVAVEEVDE EGKFVRLRNKSNEDQSMGNW QIKRQNGDDPLLTYRFPPKF TLKAGQVVTIWAAGAGATHS PPTDLVWKAQNTWGCGNSLR TALINSTGEEVAMRKLVRSV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 428 SER 2 429 SER 3 430 PHE 4 431 SER 5 432 GLN 6 433 HIS 7 434 ALA 8 435 ARG 9 436 THR 10 437 SER 11 438 GLY 12 439 ARG 13 440 VAL 14 441 ALA 15 442 VAL 16 443 GLU 17 444 GLU 18 445 VAL 19 446 ASP 20 447 GLU 21 448 GLU 22 449 GLY 23 450 LYS 24 451 PHE 25 452 VAL 26 453 ARG 27 454 LEU 28 455 ARG 29 456 ASN 30 457 LYS 31 458 SER 32 459 ASN 33 460 GLU 34 461 ASP 35 462 GLN 36 463 SER 37 464 MET 38 465 GLY 39 466 ASN 40 467 TRP 41 468 GLN 42 469 ILE 43 470 LYS 44 471 ARG 45 472 GLN 46 473 ASN 47 474 GLY 48 475 ASP 49 476 ASP 50 477 PRO 51 478 LEU 52 479 LEU 53 480 THR 54 481 TYR 55 482 ARG 56 483 PHE 57 484 PRO 58 485 PRO 59 486 LYS 60 487 PHE 61 488 THR 62 489 LEU 63 490 LYS 64 491 ALA 65 492 GLY 66 493 GLN 67 494 VAL 68 495 VAL 69 496 THR 70 497 ILE 71 498 TRP 72 499 ALA 73 500 ALA 74 501 GLY 75 502 ALA 76 503 GLY 77 504 ALA 78 505 THR 79 506 HIS 80 507 SER 81 508 PRO 82 509 PRO 83 510 THR 84 511 ASP 85 512 LEU 86 513 VAL 87 514 TRP 88 515 LYS 89 516 ALA 90 517 GLN 91 518 ASN 92 519 THR 93 520 TRP 94 521 GLY 95 522 CYS 96 523 GLY 97 524 ASN 98 525 SER 99 526 LEU 100 527 ARG 101 528 THR 102 529 ALA 103 530 LEU 104 531 ILE 105 532 ASN 106 533 SER 107 534 THR 108 535 GLY 109 536 GLU 110 537 GLU 111 538 VAL 112 539 ALA 113 540 MET 114 541 ARG 115 542 LYS 116 543 LEU 117 544 VAL 118 545 ARG 119 546 SER 120 547 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1IFR "Structure Of Lamin AC GLOBULAR DOMAIN" 94.17 121 100.00 100.00 4.41e-77 PDB 1IVT "Nmr Structures Of The C-Terminal Globular Domain Of Human Lamin AC" 99.17 122 100.00 100.00 3.35e-82 PDB 3GEF "Crystal Structure Of The R482w Mutant Of Lamin A/c" 93.33 118 98.21 98.21 2.30e-73 DBJ BAD51965 "lamin A/C [Macaca fascicularis]" 100.00 571 100.00 100.00 1.39e-82 DBJ BAE72960 "hypothetical protein [Macaca fascicularis]" 100.00 571 100.00 100.00 1.39e-82 DBJ BAE87519 "unnamed protein product [Macaca fascicularis]" 51.67 144 98.39 98.39 1.63e-36 DBJ BAF62394 "lamin A/C, transcript variant 1 [Pan troglodytes verus]" 100.00 664 100.00 100.00 9.45e-81 DBJ BAG57524 "unnamed protein product [Homo sapiens]" 100.00 228 100.00 100.00 2.73e-83 EMBL CAA27173 "unnamed protein product [Homo sapiens]" 100.00 702 100.00 100.00 8.31e-79 EMBL CAA27174 "unnamed protein product [Homo sapiens]" 100.00 572 100.00 100.00 1.43e-82 EMBL CAJ28141 "lamin A/C [Sus scrofa]" 76.67 92 97.83 98.91 1.48e-60 GB AAA36160 "lamin A protein, partial [Homo sapiens]" 100.00 515 100.00 100.00 1.34e-81 GB AAA36164 "lamin C protein [Homo sapiens]" 100.00 572 100.00 100.00 1.43e-82 GB AAH00511 "Lamin A/C [Homo sapiens]" 100.00 572 100.00 100.00 1.43e-82 GB AAH03162 "Lamin A/C [Homo sapiens]" 100.00 572 100.00 100.00 1.43e-82 GB AAH14507 "Lamin A/C [Homo sapiens]" 100.00 664 100.00 100.00 8.59e-81 PRF 1203377A "lamin A" 100.00 702 100.00 100.00 8.31e-79 REF NP_001029225 "lamin [Bos taurus]" 100.00 572 100.00 100.00 1.12e-82 REF NP_001092024 "prelamin-A/C [Pan troglodytes]" 100.00 664 100.00 100.00 9.45e-81 REF NP_001104727 "prelamin-A/C [Sus scrofa]" 100.00 664 98.33 99.17 8.86e-80 REF NP_001244303 "lamin isoform D [Homo sapiens]" 100.00 574 100.00 100.00 8.62e-81 REF NP_001244822 "prelamin-A/C [Macaca mulatta]" 100.00 663 100.00 100.00 8.33e-81 SP P02545 "RecName: Full=Prelamin-A/C; Contains: RecName: Full=Lamin-A/C; AltName: Full=70 kDa lamin; AltName: Full=Renal carcinoma antige" 100.00 664 100.00 100.00 8.59e-81 SP Q3ZD69 "RecName: Full=Prelamin-A/C; Contains: RecName: Full=Lamin-A/C; Flags: Precursor [Sus scrofa]" 100.00 664 98.33 99.17 8.86e-80 TPG DAA31761 "TPA: lamin A/C [Bos taurus]" 100.00 572 100.00 100.00 1.12e-82 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $lamin 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 $lamin 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $lamin . mM 0.5 1.5 '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMR-Pipe _Saveframe_category software _Name NMR-Pipe _Version . _Details . save_ save_Felix _Saveframe_category software _Name Felix _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _Sample_label . save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCOCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCA _Sample_label . save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCACONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label . save_ save_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH* 6.3 0.2 n/a temperature 303 2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio TSP H 1 'methyl protons' ppm 0.00 internal direct spherical internal parallel 1.00 TSP N 15 'methyl protons' ppm 0.00 internal indirect spherical internal parallel 0.10132915035 TSP C 13 'methyl protons' ppm 0.00 internal indirect cylindrical internal perpendicular 0.25145010081 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_SET_1_LAMIN _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name lamin _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 1 428 1 SER H H 8.27 0.03 1 2 428 1 SER HA H 4.5 0.03 1 3 428 1 SER HB2 H 3.82 0.03 2 4 428 1 SER HB3 H 3.92 0.03 2 5 428 1 SER C C 174.6 0.4 1 6 428 1 SER CA C 58.4 0.4 1 7 428 1 SER CB C 64.4 0.4 1 8 428 1 SER N N 118.9 0.4 1 9 429 2 SER H H 8.63 0.03 1 10 429 2 SER HA H 4.5 0.03 1 11 429 2 SER HB2 H 3.82 0.03 1 12 429 2 SER HB3 H 3.82 0.03 1 13 429 2 SER C C 173.8 0.4 1 14 429 2 SER CA C 58.5 0.4 1 15 429 2 SER CB C 64.6 0.4 1 16 429 2 SER N N 120.6 0.4 1 17 430 3 PHE H H 8.65 0.03 1 18 430 3 PHE HA H 4.87 0.03 1 19 430 3 PHE HB2 H 2.71 0.03 1 20 430 3 PHE HB3 H 2.87 0.03 1 21 430 3 PHE HD1 H 7.00 0.03 1 22 430 3 PHE HD2 H 7.00 0.03 1 23 430 3 PHE HE1 H 7.28 0.03 1 24 430 3 PHE HE2 H 7.28 0.03 1 25 430 3 PHE HZ H 7.43 0.03 1 26 430 3 PHE C C 176.8 0.4 1 27 430 3 PHE CA C 57.9 0.4 1 28 430 3 PHE CB C 40.9 0.4 1 29 430 3 PHE CD1 C 130.9 0.4 1 30 430 3 PHE CD2 C 130.9 0.4 1 31 430 3 PHE CE1 C 130.9 0.4 1 32 430 3 PHE CE2 C 130.9 0.4 1 33 430 3 PHE CZ C 131.2 0.4 1 34 430 3 PHE N N 121.7 0.4 1 35 431 4 SER H H 9.20 0.03 1 36 431 4 SER HA H 4.72 0.03 1 37 431 4 SER HB2 H 3.84 0.03 1 38 431 4 SER HB3 H 3.84 0.03 1 39 431 4 SER C C 175.1 0.4 1 40 431 4 SER CA C 57.9 0.4 1 41 431 4 SER CB C 64.9 0.4 1 42 431 4 SER N N 121.2 0.4 1 43 432 5 GLN H H 8.73 0.03 1 44 432 5 GLN HA H 5.63 0.03 1 45 432 5 GLN HB2 H 1.85 0.03 2 46 432 5 GLN HB3 H 1.92 0.03 2 47 432 5 GLN HG2 H 2.12 0.03 2 48 432 5 GLN HG3 H 2.35 0.03 2 49 432 5 GLN HE21 H 7.68 0.03 2 50 432 5 GLN HE22 H 6.89 0.03 2 51 432 5 GLN C C 173.9 0.4 1 52 432 5 GLN CA C 54.8 0.4 1 53 432 5 GLN CB C 31.6 0.4 1 54 432 5 GLN CG C 33.5 0.4 1 55 432 5 GLN CD C 179.5 0.4 1 56 432 5 GLN N N 122.1 0.4 1 57 432 5 GLN NE2 N 111.5 0.4 1 58 433 6 HIS H H 8.64 0.03 1 59 433 6 HIS HA H 4.88 0.03 1 60 433 6 HIS HB2 H 2.98 0.03 2 61 433 6 HIS HB3 H 3.07 0.03 2 62 433 6 HIS HD2 H 6.75 0.03 1 63 433 6 HIS HE1 H 8.04 0.03 1 64 433 6 HIS C C 173.1 0.4 1 65 433 6 HIS CA C 55.1 0.4 1 66 433 6 HIS CB C 33.3 0.4 1 67 433 6 HIS CD2 C 119.8 0.4 1 68 433 6 HIS N N 121.2 0.4 1 69 434 7 ALA H H 8.70 0.03 1 70 434 7 ALA HA H 5.12 0.03 1 71 434 7 ALA HB H 1.37 0.03 1 72 434 7 ALA C C 175.7 0.4 1 73 434 7 ALA CA C 51.7 0.4 1 74 434 7 ALA CB C 23.6 0.4 1 75 434 7 ALA N N 127.2 0.4 1 76 435 8 ARG H H 8.10 0.03 1 77 435 8 ARG HA H 4.65 0.03 1 78 435 8 ARG HB2 H 1.70 0.03 2 79 435 8 ARG HB3 H 1.77 0.03 2 80 435 8 ARG HG2 H 1.47 0.03 2 81 435 8 ARG HG3 H 1.56 0.03 2 82 435 8 ARG HD2 H 3.15 0.03 1 83 435 8 ARG HD3 H 3.15 0.03 1 84 435 8 ARG CA C 55.5 0.4 1 85 435 8 ARG CB C 34.6 0.4 1 86 435 8 ARG CG C 27.4 0.4 1 87 435 8 ARG CD C 43.2 0.4 1 88 435 8 ARG N N 120.5 0.4 1 89 436 9 THR HA H 4.65 0.03 1 90 436 9 THR HB H 4.00 0.03 1 91 436 9 THR HG2 H 1.16 0.03 1 92 436 9 THR C C 173.5 0.4 1 93 436 9 THR CA C 62.9 0.4 1 94 436 9 THR CB C 71.3 0.4 1 95 436 9 THR CG2 C 21.6 0.4 1 96 437 10 SER H H 8.76 0.03 1 97 437 10 SER HA H 4.75 0.03 1 98 437 10 SER HB2 H 3.92 0.03 1 99 437 10 SER HB3 H 3.92 0.03 1 100 437 10 SER C C 173.6 0.4 1 101 437 10 SER CA C 57.9 0.4 1 102 437 10 SER CB C 64.6 0.4 1 103 437 10 SER N N 123.5 0.4 1 104 438 11 GLY H H 7.92 0.03 1 105 438 11 GLY HA2 H 4.41 0.03 2 106 438 11 GLY HA3 H 3.81 0.03 2 107 438 11 GLY C C 175.2 0.4 1 108 438 11 GLY CA C 45.1 0.4 1 109 438 11 GLY N N 113.6 0.4 1 110 439 12 ARG H H 8.64 0.03 1 111 439 12 ARG HA H 4.05 0.03 1 112 439 12 ARG HB2 H 1.86 0.03 2 113 439 12 ARG HB3 H 1.70 0.03 2 114 439 12 ARG HG2 H 1.58 0.03 1 115 439 12 ARG HG3 H 1.58 0.03 1 116 439 12 ARG HD2 H 3.21 0.03 2 117 439 12 ARG HD3 H 3.25 0.03 2 118 439 12 ARG C C 175.4 0.4 1 119 439 12 ARG CA C 59.4 0.4 1 120 439 12 ARG CB C 31.5 0.4 1 121 439 12 ARG CG C 27.5 0.4 1 122 439 12 ARG CD C 42.3 0.4 1 123 439 12 ARG N N 121.2 0.4 1 124 440 13 VAL H H 7.79 0.03 1 125 440 13 VAL HA H 4.67 0.03 1 126 440 13 VAL HB H 1.86 0.03 1 127 440 13 VAL HG1 H 0.60 0.03 2 128 440 13 VAL HG2 H 0.73 0.03 2 129 440 13 VAL C C 173.3 0.03 1 130 440 13 VAL CA C 61.2 0.4 1 131 440 13 VAL CB C 33.9 0.4 1 132 440 13 VAL CG1 C 23.4 0.4 2 133 440 13 VAL CG2 C 22.4 0.4 2 134 440 13 VAL N N 116.4 0.4 1 135 441 14 ALA H H 8.85 0.03 1 136 441 14 ALA HA H 4.56 0.03 1 137 441 14 ALA HB H 1.28 0.03 1 138 441 14 ALA C C 178.3 0.4 1 139 441 14 ALA CA C 50.0 0.4 1 140 441 14 ALA CB C 22.7 0.4 1 141 441 14 ALA N N 129.0 0.4 1 142 442 15 VAL H H 8.58 0.03 1 143 442 15 VAL HA H 3.97 0.03 1 144 442 15 VAL HB H 1.89 0.03 1 145 442 15 VAL HG1 H 0.47 0.03 2 146 442 15 VAL HG2 H 0.62 0.03 2 147 442 15 VAL C C 174.3 0.4 1 148 442 15 VAL CA C 62.6 0.4 1 149 442 15 VAL CB C 29.1 0.4 1 150 442 15 VAL CG1 C 22.7 0.4 2 151 442 15 VAL CG2 C 19.1 0.4 2 152 442 15 VAL N N 122.7 0.4 1 153 443 16 GLU H H 8.03 0.03 1 154 443 16 GLU HA H 4.10 0.03 1 155 443 16 GLU HB2 H 1.49 0.03 2 156 443 16 GLU HB3 H 1.77 0.03 2 157 443 16 GLU HG2 H 2.08 0.03 2 158 443 16 GLU HG3 H 1.98 0.03 2 159 443 16 GLU C C 177.3 0.4 1 160 443 16 GLU CA C 58.1 0.4 1 161 443 16 GLU CB C 32.0 0.4 1 162 443 16 GLU CG C 35.5 0.4 1 163 443 16 GLU N N 132.5 0.4 1 164 444 17 GLU H H 7.64 0.03 1 165 444 17 GLU HA H 4.46 0.03 1 166 444 17 GLU HB2 H 1.82 0.03 2 167 444 17 GLU HB3 H 1.75 0.03 2 168 444 17 GLU HG2 H 2.24 0.03 2 169 444 17 GLU HG3 H 1.97 0.03 2 170 444 17 GLU C C 173.8 0.4 1 171 444 17 GLU CA C 55.5 0.4 1 172 444 17 GLU CB C 34.5 0.4 1 173 444 17 GLU CG C 36.4 0.4 1 174 444 17 GLU N N 115.9 0.4 1 175 445 18 VAL H H 8.79 0.03 1 176 445 18 VAL HA H 3.60 0.03 1 177 445 18 VAL HB H 1.54 0.03 1 178 445 18 VAL HG1 H 0.48 0.03 1 179 445 18 VAL HG2 H 0.48 0.03 1 180 445 18 VAL C C 173.2 0.4 1 181 445 18 VAL CA C 60.9 0.4 1 182 445 18 VAL CB C 34.5 0.4 1 183 445 18 VAL CG1 C 20.9 0.4 1 184 445 18 VAL CG2 C 20.9 0.4 1 185 445 18 VAL N N 128.2 0.4 1 186 446 19 ASP H H 6.36 0.03 1 187 446 19 ASP HA H 4.04 0.03 1 188 446 19 ASP HB2 H 0.65 0.03 2 189 446 19 ASP HB3 H 1.68 0.03 2 190 446 19 ASP C C 178.6 0.4 1 191 446 19 ASP CA C 54.3 0.4 1 192 446 19 ASP CB C 43.0 0.4 1 193 446 19 ASP N N 124.4 0.4 1 194 447 20 GLU H H 9.30 0.03 1 195 447 20 GLU HA H 3.37 0.03 1 196 447 20 GLU HB2 H 1.70 0.03 2 197 447 20 GLU HB3 H 1.73 0.03 2 198 447 20 GLU HG2 H 2.09 0.03 2 199 447 20 GLU HG3 H 1.88 0.03 2 200 447 20 GLU C C 175.9 0.4 1 201 447 20 GLU CA C 58.7 0.4 1 202 447 20 GLU CB C 29.3 0.4 1 203 447 20 GLU CG C 36.5 0.4 1 204 447 20 GLU N N 130.6 0.4 1 205 448 21 GLU H H 7.34 0.03 1 206 448 21 GLU HA H 4.36 0.03 1 207 448 21 GLU HB2 H 2.05 0.03 1 208 448 21 GLU HB3 H 2.05 0.03 1 209 448 21 GLU HG2 H 2.21 0.03 2 210 448 21 GLU HG3 H 2.26 0.03 2 211 448 21 GLU C C 177.4 0.4 1 212 448 21 GLU CA C 55.9 0.4 1 213 448 21 GLU CB C 29.8 0.4 1 214 448 21 GLU CG C 37.1 0.4 1 215 448 21 GLU N N 116.2 0.4 1 216 449 22 GLY H H 7.26 0.03 1 217 449 22 GLY HA2 H 3.88 0.03 1 218 449 22 GLY HA3 H 3.88 0.03 1 219 449 22 GLY C C 175.1 0.4 1 220 449 22 GLY CA C 46.8 0.4 1 221 449 22 GLY N N 107.3 0.4 1 222 450 23 LYS H H 9.53 0.03 1 223 450 23 LYS HA H 4.53 0.03 1 224 450 23 LYS HB2 H 1.88 0.03 1 225 450 23 LYS HB3 H 1.88 0.03 1 226 450 23 LYS HG2 H 1.54 0.03 1 227 450 23 LYS HG3 H 1.54 0.03 1 228 450 23 LYS HD2 H 1.86 0.03 1 229 450 23 LYS HD3 H 1.86 0.03 1 230 450 23 LYS HE2 H 3.11 0.03 1 231 450 23 LYS HE3 H 3.11 0.03 1 232 450 23 LYS C C 177.4 0.4 1 233 450 23 LYS CA C 60.2 0.4 1 234 450 23 LYS CB C 33.4 0.4 1 235 450 23 LYS CG C 25.9 0.4 1 236 450 23 LYS CD C 29.7 0.4 1 237 450 23 LYS CE C 42.6 0.4 1 238 450 23 LYS N N 120.4 0.4 1 239 451 24 PHE H H 6.63 0.03 1 240 451 24 PHE HA H 5.61 0.03 1 241 451 24 PHE HB2 H 1.85 0.03 2 242 451 24 PHE HB3 H 2.36 0.03 2 243 451 24 PHE HD1 H 6.90 0.03 1 244 451 24 PHE HD2 H 6.90 0.03 1 245 451 24 PHE HE1 H 6.39 0.03 1 246 451 24 PHE HE2 H 6.39 0.03 1 247 451 24 PHE HZ H 7.13 0.03 1 248 451 24 PHE C C 174.5 0.4 1 249 451 24 PHE CA C 56.5 0.4 1 250 451 24 PHE CB C 40.8 0.4 1 251 451 24 PHE CD1 C 131.2 0.4 1 252 451 24 PHE CD2 C 131.2 0.4 1 253 451 24 PHE CE1 C 126.5 0.4 1 254 451 24 PHE CE2 C 126.5 0.4 1 255 451 24 PHE CZ C 126.5 0.4 1 256 451 24 PHE N N 109.5 0.4 1 257 452 25 VAL H H 7.86 0.03 1 258 452 25 VAL HA H 3.81 0.03 1 259 452 25 VAL HB H 1.11 0.03 1 260 452 25 VAL HG1 H 0.25 0.03 2 261 452 25 VAL HG2 H -0.67 0.03 2 262 452 25 VAL C C 172.6 0.4 1 263 452 25 VAL CA C 62.1 0.4 1 264 452 25 VAL CB C 36.2 0.4 1 265 452 25 VAL CG1 C 21.1 0.4 2 266 452 25 VAL CG2 C 19.6 0.4 2 267 452 25 VAL N N 122.3 0.4 1 268 453 26 ARG H H 9.10 0.03 1 269 453 26 ARG HA H 5.31 0.03 1 270 453 26 ARG HB2 H 1.82 0.03 2 271 453 26 ARG HB3 H 2.22 0.03 2 272 453 26 ARG C C 174.8 0.4 1 273 453 26 ARG CA C 55.1 0.4 1 274 453 26 ARG CB C 33.8 0.4 1 275 453 26 ARG CD C 43.1 0.4 1 276 453 26 ARG N N 128.2 0.4 1 277 454 27 LEU H H 9.11 0.03 1 278 454 27 LEU HA H 5.3 0.03 1 279 454 27 LEU HB2 H 1.28 0.03 2 280 454 27 LEU HB3 H 1.66 0.03 2 281 454 27 LEU HG H 1.57 0.03 1 282 454 27 LEU HD1 H 0.74 0.03 2 283 454 27 LEU HD2 H 0.87 0.03 2 284 454 27 LEU C C 175.0 0.4 1 285 454 27 LEU CA C 52.4 0.4 1 286 454 27 LEU CB C 43.8 0.4 1 287 454 27 LEU CG C 27.4 0.4 1 288 454 27 LEU CD1 C 25.4 0.4 2 289 454 27 LEU CD2 C 28.0 0.4 2 290 454 27 LEU N N 125.8 0.4 1 291 455 28 ARG H H 8.34 0.03 1 292 455 28 ARG HA H 5.1 0.03 1 293 455 28 ARG HB2 H 1.45 0.03 1 294 455 28 ARG HB3 H 1.45 0.03 1 295 455 28 ARG HG2 H 1.42 0.03 1 296 455 28 ARG HG3 H 1.42 0.03 1 297 455 28 ARG HD2 H 2.88 0.03 2 298 455 28 ARG HD3 H 2.95 0.03 2 299 455 28 ARG C C 174.6 0.4 1 300 455 28 ARG CA C 54.4 0.4 1 301 455 28 ARG CB C 36.0 0.4 1 302 455 28 ARG CG C 27.8 0.4 1 303 455 28 ARG CD C 42.6 0.4 1 304 455 28 ARG N N 119.9 0.4 1 305 456 29 ASN H H 8.73 0.03 1 306 456 29 ASN HA H 4.89 0.03 1 307 456 29 ASN HB2 H 3.45 0.03 2 308 456 29 ASN HB3 H 2.11 0.03 2 309 456 29 ASN HD21 H 6.47 0.03 2 310 456 29 ASN HD22 H 8.18 0.03 2 311 456 29 ASN C C 173.9 0.4 1 312 456 29 ASN CA C 51.8 0.4 1 313 456 29 ASN CB C 37.5 0.4 1 314 456 29 ASN N N 127.2 0.4 1 315 456 29 ASN ND2 N 109.9 0.4 1 316 457 30 LYS H H 8.41 0.03 1 317 457 30 LYS HA H 4.86 0.03 1 318 457 30 LYS HB2 H 1.83 0.03 1 319 457 30 LYS HB3 H 1.83 0.03 1 320 457 30 LYS HG2 H 1.35 0.03 2 321 457 30 LYS HG3 H 1.42 0.03 2 322 457 30 LYS HD2 H 1.59 0.03 1 323 457 30 LYS HD3 H 1.59 0.03 1 324 457 30 LYS HE2 H 2.92 0.03 1 325 457 30 LYS HE3 H 2.92 0.03 1 326 457 30 LYS C C 175.8 0.4 1 327 457 30 LYS CA C 55.2 0.4 1 328 457 30 LYS CB C 31.4 0.4 1 329 457 30 LYS CG C 24.1 0.4 1 330 457 30 LYS CD C 28.4 0.4 1 331 457 30 LYS CE C 41.7 0.4 1 332 457 30 LYS N N 127.3 0.4 1 333 458 31 SER H H 8.7 0.03 1 334 458 31 SER HA H 4.76 0.03 1 335 458 31 SER HB2 H 3.92 0.03 2 336 458 31 SER HB3 H 4.26 0.03 2 337 458 31 SER C C 172.8 0.4 1 338 458 31 SER CA C 57.5 0.4 1 339 458 31 SER CB C 67.1 0.4 1 340 458 31 SER N N 121.6 0.4 1 341 459 32 ASN H H 8.34 0.03 1 342 459 32 ASN HA H 4.75 0.03 1 343 459 32 ASN HB2 H 2.77 0.03 2 344 459 32 ASN HB3 H 2.84 0.03 2 345 459 32 ASN HD21 H 6.83 0.03 2 346 459 32 ASN HD22 H 7.51 0.03 2 347 459 32 ASN C C 173.8 0.4 1 348 459 32 ASN CA C 53.0 0.4 1 349 459 32 ASN CB C 38.7 0.4 1 350 459 32 ASN CG C 175.9 0.4 1 351 459 32 ASN N N 117.3 0.4 1 352 459 32 ASN ND2 N 111.7 0.4 1 353 460 33 GLU H H 8.73 0.03 1 354 460 33 GLU HA H 4.57 0.03 1 355 460 33 GLU HB2 H 1.70 0.03 2 356 460 33 GLU HB3 H 1.91 0.03 2 357 460 33 GLU HG2 H 2.14 0.03 1 358 460 33 GLU HG3 H 2.14 0.03 1 359 460 33 GLU C C 174.5 0.4 1 360 460 33 GLU CA C 54.6 0.4 1 361 460 33 GLU CB C 33.5 0.4 1 362 460 33 GLU CG C 36.4 0.4 1 363 460 33 GLU N N 122.1 0.4 1 364 461 34 ASP H H 8.62 0.03 1 365 461 34 ASP HA H 4.00 0.03 1 366 461 34 ASP HB2 H 2.00 0.03 2 367 461 34 ASP HB3 H 2.40 0.03 2 368 461 34 ASP C C 174.3 0.4 1 369 461 34 ASP CA C 54.7 0.4 1 370 461 34 ASP CB C 40.6 0.4 1 371 461 34 ASP N N 124.7 0.4 1 372 462 35 GLN H H 7.88 0.03 1 373 462 35 GLN HA H 4.51 0.03 1 374 462 35 GLN HB2 H 1.58 0.03 1 375 462 35 GLN HB3 H 1.58 0.03 1 376 462 35 GLN HG2 H 1.61 0.03 1 377 462 35 GLN HG3 H 1.61 0.03 1 378 462 35 GLN HE21 H 8.09 0.03 2 379 462 35 GLN HE22 H 7.68 0.03 2 380 462 35 GLN C C 174.4 0.4 1 381 462 35 GLN CA C 52.9 0.4 1 382 462 35 GLN CB C 32.3 0.4 1 383 462 35 GLN CG C 32.3 0.4 1 384 462 35 GLN N N 120.2 0.4 1 385 462 35 GLN NE2 N 122.4 0.4 1 386 463 36 SER H H 8.92 0.03 1 387 463 36 SER HA H 4.41 0.03 1 388 463 36 SER HB2 H 3.81 0.03 1 389 463 36 SER HB3 H 3.81 0.03 1 390 463 36 SER C C 175.6 0.4 1 391 463 36 SER CA C 59.1 0.4 1 392 463 36 SER CB C 63.2 0.4 1 393 463 36 SER N N 127.4 0.4 1 394 464 37 MET H H 8.78 0.03 1 395 464 37 MET HA H 2.44 0.03 1 396 464 37 MET HB2 H 0.76 0.03 2 397 464 37 MET HB3 H 1.16 0.03 2 398 464 37 MET HG2 H 0.3 0.03 2 399 464 37 MET HG3 H 1.42 0.03 2 400 464 37 MET HE H 1.16 0.03 1 401 464 37 MET C C 174.9 0.4 1 402 464 37 MET CA C 54.0 0.4 1 403 464 37 MET CB C 34.2 0.4 1 404 464 37 MET CG C 30.3 0.4 1 405 464 37 MET CE C 16.4 0.4 1 406 464 37 MET N N 128.2 0.4 1 407 465 38 GLY H H 7.74 0.03 1 408 465 38 GLY HA2 H 4.11 0.03 2 409 465 38 GLY HA3 H 3.65 0.03 2 410 465 38 GLY CA C 47.1 0.4 1 411 465 38 GLY N N 109.9 0.4 1 412 466 39 ASN HA H 4.39 0.03 1 413 466 39 ASN HB2 H 3.12 0.03 2 414 466 39 ASN HB3 H 3.18 0.03 2 415 466 39 ASN HD21 H 7.6 0.03 2 416 466 39 ASN HD22 H 6.9 0.03 2 417 466 39 ASN C C 175.4 0.4 1 418 466 39 ASN CA C 55.5 0.4 1 419 466 39 ASN CB C 38.2 0.4 1 420 466 39 ASN N N 117.2 0.4 1 421 466 39 ASN ND2 N 115.3 0.4 1 422 467 40 TRP H H 8.32 0.03 1 423 467 40 TRP HA H 4.57 0.03 1 424 467 40 TRP HB2 H 2.67 0.03 2 425 467 40 TRP HB3 H 2.98 0.03 2 426 467 40 TRP HD1 H 7.21 0.03 1 427 467 40 TRP HE1 H 10.08 0.03 1 428 467 40 TRP HE3 H 6.86 0.03 1 429 467 40 TRP HZ2 H 7.61 0.03 1 430 467 40 TRP HZ3 H 6.71 0.03 1 431 467 40 TRP HH2 H 7.1 0.03 1 432 467 40 TRP C C 175.3 0.4 1 433 467 40 TRP CA C 59.1 0.4 1 434 467 40 TRP CB C 28.5 0.4 1 435 467 40 TRP CH2 C 123.7 0.4 1 436 467 40 TRP N N 122.4 0.4 1 437 467 40 TRP NE1 N 130.2 0.4 1 438 468 41 GLN H H 9.32 0.03 1 439 468 41 GLN HA H 5.78 0.03 1 440 468 41 GLN HB2 H 1.67 0.03 2 441 468 41 GLN HB3 H 1.98 0.03 2 442 468 41 GLN HG2 H 2.2 0.03 1 443 468 41 GLN HG3 H 2.2 0.03 1 444 468 41 GLN HE21 H 7.37 0.03 2 445 468 41 GLN HE22 H 6.54 0.03 2 446 468 41 GLN C C 175.5 0.4 1 447 468 41 GLN CA C 54.3 0.4 1 448 468 41 GLN CB C 34.5 0.4 1 449 468 41 GLN CG C 34.3 0.4 1 450 468 41 GLN CD C 179.5 0.4 1 451 468 41 GLN N N 118.2 0.4 1 452 468 41 GLN NE2 N 111.1 0.4 1 453 469 42 ILE H H 9.36 0.03 1 454 469 42 ILE HA H 5.38 0.03 1 455 469 42 ILE HB H 1.92 0.03 1 456 469 42 ILE HG12 H 1.01 0.03 1 457 469 42 ILE HG13 H 1.01 0.03 1 458 469 42 ILE HG2 H 0.81 0.03 1 459 469 42 ILE HD1 H 0.75 0.03 1 460 469 42 ILE C C 175.5 0.4 1 461 469 42 ILE CA C 60.0 0.4 1 462 469 42 ILE CB C 40.8 0.4 1 463 469 42 ILE CG1 C 28.6 0.4 1 464 469 42 ILE CG2 C 18.9 0.4 1 465 469 42 ILE CD1 C 14.6 0.4 1 466 469 42 ILE N N 121.4 0.4 1 467 470 43 LYS H H 9.27 0.03 1 468 470 43 LYS HA H 5.26 0.03 1 469 470 43 LYS HB2 H 1.71 0.03 1 470 470 43 LYS HB3 H 1.71 0.03 1 471 470 43 LYS HG2 H 1.4 0.03 1 472 470 43 LYS HG3 H 1.4 0.03 1 473 470 43 LYS HD2 H 1.67 0.03 1 474 470 43 LYS HD3 H 1.67 0.03 1 475 470 43 LYS HE2 H 2.81 0.03 1 476 470 43 LYS HE3 H 2.81 0.03 1 477 470 43 LYS C C 175.4 0.4 1 478 470 43 LYS CA C 53.3 0.4 1 479 470 43 LYS CB C 35.6 0.4 1 480 470 43 LYS CG C 26.0 0.4 1 481 470 43 LYS CD C 29.5 0.4 1 482 470 43 LYS CE C 41.9 0.4 1 483 470 43 LYS N N 127.6 0.4 1 484 471 44 ARG H H 9.65 0.03 1 485 471 44 ARG HA H 5.54 0.03 1 486 471 44 ARG HB2 H 1.77 0.03 1 487 471 44 ARG HB3 H 1.77 0.03 1 488 471 44 ARG HG2 H 1.70 0.03 1 489 471 44 ARG HG3 H 1.70 0.03 1 490 471 44 ARG HD2 H 3.12 0.03 2 491 471 44 ARG HD3 H 3.20 0.03 2 492 471 44 ARG C C 173.2 0.4 1 493 471 44 ARG CA C 53.3 0.4 1 494 471 44 ARG CB C 35.0 0.4 1 495 471 44 ARG CG C 27.9 0.4 1 496 471 44 ARG CD C 44.7 0.4 1 497 471 44 ARG N N 129.3 0.4 1 498 472 45 GLN H H 9.30 0.03 1 499 472 45 GLN HA H 4.86 0.03 1 500 472 45 GLN HB2 H 1.82 0.03 2 501 472 45 GLN HB3 H 2.10 0.03 2 502 472 45 GLN HG2 H 2.11 0.03 2 503 472 45 GLN HG3 H 2.34 0.03 2 504 472 45 GLN HE21 H 7.30 0.03 2 505 472 45 GLN HE22 H 7.40 0.03 2 506 472 45 GLN C C 174.3 0.4 1 507 472 45 GLN CA C 54.1 0.4 1 508 472 45 GLN CB C 32.1 0.4 1 509 472 45 GLN CG C 33.9 0.4 1 510 472 45 GLN N N 131.2 0.4 1 511 472 45 GLN NE2 N 116.1 0.4 1 512 473 46 ASN H H 9.53 0.03 1 513 473 46 ASN HA H 5.59 0.03 1 514 473 46 ASN HB2 H 2.95 0.03 2 515 473 46 ASN HB3 H 2.44 0.03 2 516 473 46 ASN HD21 H 7.60 0.03 2 517 473 46 ASN HD22 H 6.90 0.03 2 518 473 46 ASN C C 174.4 0.4 1 519 473 46 ASN CA C 51.0 0.4 1 520 473 46 ASN CB C 39.0 0.4 1 521 473 46 ASN N N 133.7 0.4 1 522 473 46 ASN ND2 N 114.8 0.4 1 523 474 47 GLY H H 8.79 0.03 1 524 474 47 GLY HA2 H 3.97 0.03 2 525 474 47 GLY HA3 H 3.76 0.03 2 526 474 47 GLY C C 174.5 0.4 1 527 474 47 GLY CA C 48.2 0.4 1 528 474 47 GLY N N 113.8 0.4 1 529 475 48 ASP H H 8.86 0.03 1 530 475 48 ASP HA H 4.85 0.03 1 531 475 48 ASP HB2 H 2.53 0.03 2 532 475 48 ASP HB3 H 2.86 0.03 2 533 475 48 ASP C C 176.1 0.4 1 534 475 48 ASP CA C 53.4 0.4 1 535 475 48 ASP CB C 41.2 0.4 1 536 475 48 ASP N N 129.5 0.4 1 537 476 49 ASP H H 8.5 0.03 1 538 476 49 ASP HA H 4.69 0.03 1 539 476 49 ASP HB2 H 3.18 0.03 2 540 476 49 ASP HB3 H 2.89 0.03 2 541 476 49 ASP CA C 54.3 0.4 1 542 476 49 ASP CB C 38.9 0.4 1 543 476 49 ASP N N 124.7 0.4 1 544 477 50 PRO HA H 4.38 0.03 1 545 477 50 PRO HB2 H 2.33 0.03 2 546 477 50 PRO HB3 H 1.78 0.03 2 547 477 50 PRO HG2 H 2.08 0.03 1 548 477 50 PRO HG3 H 2.08 0.03 1 549 477 50 PRO HD2 H 3.60 0.03 2 550 477 50 PRO HD3 H 3.84 0.03 2 551 477 50 PRO C C 177.4 0.4 1 552 477 50 PRO CA C 63.7 0.4 1 553 477 50 PRO CB C 31.7 0.4 1 554 477 50 PRO CG C 27.7 0.4 1 555 477 50 PRO CD C 49.8 0.4 1 556 478 51 LEU H H 8.36 0.03 1 557 478 51 LEU HA H 4.17 0.03 1 558 478 51 LEU HB2 H 1.63 0.03 2 559 478 51 LEU HB3 H 1.52 0.03 2 560 478 51 LEU HG H 1.63 0.03 1 561 478 51 LEU HD1 H 0.88 0.03 2 562 478 51 LEU HD2 H 0.84 0.03 2 563 478 51 LEU C C 177.1 0.4 1 564 478 51 LEU CA C 56.5 0.4 1 565 478 51 LEU CB C 43.2 0.4 1 566 478 51 LEU CG C 27.1 0.4 1 567 478 51 LEU CD1 C 24.7 0.4 2 568 478 51 LEU CD2 C 25.9 0.4 2 569 478 51 LEU N N 126.7 0.4 1 570 479 52 LEU H H 8.54 0.03 1 571 479 52 LEU HA H 4.91 0.03 1 572 479 52 LEU HB2 H 1.67 0.03 2 573 479 52 LEU HB3 H 2.08 0.03 2 574 479 52 LEU HG H 1.80 0.03 1 575 479 52 LEU HD1 H 0.82 0.03 1 576 479 52 LEU HD2 H 0.82 0.03 1 577 479 52 LEU C C 176.3 0.4 1 578 479 52 LEU CA C 54.0 0.4 1 579 479 52 LEU CB C 45.4 0.4 1 580 479 52 LEU CG C 26.9 0.4 1 581 479 52 LEU CD1 C 23.8 0.4 1 582 479 52 LEU CD2 C 23.8 0.4 1 583 479 52 LEU N N 127.9 0.4 1 584 480 53 THR H H 8.74 0.03 1 585 480 53 THR HA H 5.33 0.03 1 586 480 53 THR HB H 3.87 0.03 1 587 480 53 THR HG2 H 0.97 0.03 1 588 480 53 THR C C 172.6 0.4 1 589 480 53 THR CA C 61.5 0.4 1 590 480 53 THR CB C 71.3 0.4 1 591 480 53 THR CG2 C 21.7 0.4 1 592 480 53 THR N N 118.8 0.4 1 593 481 54 TYR H H 9.07 0.03 1 594 481 54 TYR HA H 3.59 0.03 1 595 481 54 TYR HB2 H 2.08 0.03 1 596 481 54 TYR HB3 H 1.04 0.03 1 597 481 54 TYR HD1 H 6.72 0.03 1 598 481 54 TYR HD2 H 6.72 0.03 1 599 481 54 TYR HE1 H 6.72 0.03 1 600 481 54 TYR HE2 H 6.72 0.03 1 601 481 54 TYR C C 173.5 0.4 1 602 481 54 TYR CA C 56.7 0.4 1 603 481 54 TYR CB C 40.5 0.4 1 604 481 54 TYR CD1 C 133.1 0.4 1 605 481 54 TYR CD2 C 133.1 0.4 1 606 481 54 TYR CE1 C 113.1 0.4 1 607 481 54 TYR CE2 C 113.1 0.4 1 608 481 54 TYR N N 131.2 0.4 1 609 482 55 ARG H H 7.03 0.03 1 610 482 55 ARG HA H 4.57 0.03 1 611 482 55 ARG HB2 H 1.51 0.03 2 612 482 55 ARG HB3 H 1.3 0.03 2 613 482 55 ARG HG2 H 1.54 0.03 1 614 482 55 ARG HG3 H 1.54 0.03 1 615 482 55 ARG HD2 H 3.02 0.03 2 616 482 55 ARG HD3 H 3.09 0.03 2 617 482 55 ARG C C 174.5 0.4 1 618 482 55 ARG CA C 54.0 0.4 1 619 482 55 ARG CB C 32.0 0.4 1 620 482 55 ARG CG C 27.6 0.4 1 621 482 55 ARG CD C 43.3 0.4 1 622 482 55 ARG N N 128.9 0.4 1 623 483 56 PHE H H 8.48 0.03 1 624 483 56 PHE HA H 3.96 0.03 1 625 483 56 PHE HB2 H 3.11 0.03 2 626 483 56 PHE HB3 H 2.84 0.03 2 627 483 56 PHE HD1 H 6.68 0.03 1 628 483 56 PHE HD2 H 6.68 0.03 1 629 483 56 PHE HE1 H 6.68 0.03 1 630 483 56 PHE HE2 H 6.68 0.03 1 631 483 56 PHE HZ H 6.90 0.03 1 632 483 56 PHE CA C 58.2 0.4 1 633 483 56 PHE CB C 39.1 0.4 1 634 483 56 PHE CD1 C 130.9 0.4 1 635 483 56 PHE CD2 C 130.9 0.4 1 636 483 56 PHE CE1 C 130.9 0.4 1 637 483 56 PHE CE2 C 130.9 0.4 1 638 483 56 PHE N N 127.6 0.4 1 639 484 57 PRO HA H 4.69 0.03 1 640 484 57 PRO HB2 H 2.64 0.03 2 641 484 57 PRO HB3 H 2.12 0.03 2 642 484 57 PRO HG2 H 2.18 0.03 1 643 484 57 PRO HG3 H 2.18 0.03 1 644 484 57 PRO HD2 H 3.42 0.03 2 645 484 57 PRO HD3 H 3.88 0.03 2 646 484 57 PRO CA C 61.7 0.4 1 647 484 57 PRO CB C 31.1 0.4 1 648 484 57 PRO CG C 27.6 0.4 1 649 484 57 PRO CD C 50.7 0.4 1 650 485 58 PRO HA H 4.18 0.03 1 651 485 58 PRO HB2 H 1.89 0.03 2 652 485 58 PRO HB3 H 2.36 0.03 2 653 485 58 PRO HG2 H 2.04 0.03 1 654 485 58 PRO HG3 H 2.04 0.03 1 655 485 58 PRO HD2 H 3.79 0.03 2 656 485 58 PRO HD3 H 3.73 0.03 2 657 485 58 PRO CA C 65.1 0.4 1 658 485 58 PRO CB C 32.1 0.4 1 659 485 58 PRO CG C 27.5 0.4 1 660 485 58 PRO CD C 50.4 0.4 1 661 486 59 LYS H H 7.60 0.03 1 662 486 59 LYS HA H 4.47 0.03 1 663 486 59 LYS HB2 H 1.75 0.03 2 664 486 59 LYS HB3 H 1.72 0.03 2 665 486 59 LYS HG2 H 1.25 0.03 2 666 486 59 LYS HG3 H 1.33 0.03 2 667 486 59 LYS HD2 H 1.61 0.03 1 668 486 59 LYS HD3 H 1.61 0.03 1 669 486 59 LYS HE2 H 2.91 0.03 1 670 486 59 LYS HE3 H 2.91 0.03 1 671 486 59 LYS C C 176.1 0.4 1 672 486 59 LYS CA C 55.3 0.4 1 673 486 59 LYS CB C 33.0 0.4 1 674 486 59 LYS CG C 24.8 0.4 1 675 486 59 LYS CD C 29.0 0.4 1 676 486 59 LYS CE C 41.8 0.4 1 677 486 59 LYS N N 116.1 0.4 1 678 487 60 PHE H H 7.97 0.03 1 679 487 60 PHE HA H 4.16 0.03 1 680 487 60 PHE HB2 H 2.34 0.03 2 681 487 60 PHE HB3 H 3.15 0.03 2 682 487 60 PHE HD1 H 7.01 0.03 1 683 487 60 PHE HD2 H 7.01 0.03 1 684 487 60 PHE HE1 H 7.17 0.03 1 685 487 60 PHE HE2 H 7.17 0.03 1 686 487 60 PHE HZ H 7.52 0.03 1 687 487 60 PHE C C 173.4 0.4 1 688 487 60 PHE CA C 60.4 0.4 1 689 487 60 PHE CB C 41.1 0.4 1 690 487 60 PHE CD1 C 130.9 0.4 1 691 487 60 PHE CD2 C 130.9 0.4 1 692 487 60 PHE CE1 C 130.7 0.4 1 693 487 60 PHE CE2 C 130.7 0.4 1 694 487 60 PHE CZ C 129.7 0.4 1 695 487 60 PHE N N 125.0 0.4 1 696 488 61 THR H H 7.72 0.03 1 697 488 61 THR HA H 4.33 0.03 1 698 488 61 THR HB H 3.49 0.03 1 699 488 61 THR HG2 H 0.62 0.03 1 700 488 61 THR C C 171.0 0.4 1 701 488 61 THR CA C 61.4 0.4 1 702 488 61 THR CB C 71.4 0.4 1 703 488 61 THR CG2 C 21.0 0.4 1 704 488 61 THR N N 127.5 0.4 1 705 489 62 LEU H H 8.26 0.03 1 706 489 62 LEU HA H 4.47 0.03 1 707 489 62 LEU HB2 H 1.77 0.03 2 708 489 62 LEU HB3 H 1.2 0.03 2 709 489 62 LEU HG H 1.45 0.03 1 710 489 62 LEU HD1 H 0.81 0.03 2 711 489 62 LEU HD2 H 0.75 0.03 2 712 489 62 LEU C C 176.2 0.4 1 713 489 62 LEU CA C 52.4 0.4 1 714 489 62 LEU CB C 44.0 0.4 1 715 489 62 LEU CG C 27.6 0.4 1 716 489 62 LEU CD1 C 24.5 0.4 2 717 489 62 LEU CD2 C 27.4 0.4 2 718 489 62 LEU N N 129.8 0.4 1 719 490 63 LYS H H 8.67 0.03 1 720 490 63 LYS HA H 3.76 0.03 1 721 490 63 LYS HB2 H 1.72 0.03 2 722 490 63 LYS HB3 H 1.38 0.03 2 723 490 63 LYS HG2 H 1.13 0.03 2 724 490 63 LYS HG3 H 1.35 0.03 2 725 490 63 LYS HD2 H 1.53 0.03 1 726 490 63 LYS HD3 H 1.53 0.03 1 727 490 63 LYS HE2 H 2.92 0.03 1 728 490 63 LYS HE3 H 2.92 0.03 1 729 490 63 LYS C C 175.3 0.4 1 730 490 63 LYS CA C 57.1 0.4 1 731 490 63 LYS CB C 32.6 0.4 1 732 490 63 LYS CG C 25.8 0.4 1 733 490 63 LYS CD C 28.3 0.4 1 734 490 63 LYS CE C 41.8 0.4 1 735 490 63 LYS N N 132.0 0.4 1 736 491 64 ALA H H 8.35 0.03 1 737 491 64 ALA HA H 3.44 0.03 1 738 491 64 ALA HB H 0.99 0.03 1 739 491 64 ALA C C 178.5 0.4 1 740 491 64 ALA CA C 53.9 0.4 1 741 491 64 ALA CB C 19.0 0.4 1 742 491 64 ALA N N 124.6 0.4 1 743 492 65 GLY H H 7.30 0.03 1 744 492 65 GLY HA2 H 4.03 0.03 1 745 492 65 GLY HA3 H 4.03 0.03 1 746 492 65 GLY C C 174.8 0.4 1 747 492 65 GLY CA C 46.9 0.4 1 748 492 65 GLY N N 114.1 0.4 1 749 493 66 GLN H H 8.03 0.03 1 750 493 66 GLN HA H 4.36 0.03 1 751 493 66 GLN HB2 H 2.15 0.03 2 752 493 66 GLN HB3 H 1.91 0.03 2 753 493 66 GLN HG2 H 2.13 0.03 2 754 493 66 GLN HG3 H 2.26 0.03 2 755 493 66 GLN HE21 H 6.84 0.03 2 756 493 66 GLN HE22 H 7.44 0.03 2 757 493 66 GLN C C 174.3 0.4 1 758 493 66 GLN CA C 55.3 0.4 1 759 493 66 GLN CB C 30.0 0.4 1 760 493 66 GLN CG C 34.5 0.4 1 761 493 66 GLN CD C 179.8 0.4 1 762 493 66 GLN N N 121.1 0.4 1 763 493 66 GLN NE2 N 115.9 0.4 1 764 494 67 VAL H H 7.90 0.03 1 765 494 67 VAL HA H 5.17 0.03 1 766 494 67 VAL HB H 1.82 0.03 1 767 494 67 VAL HG1 H 0.82 0.03 1 768 494 67 VAL HG2 H 0.82 0.03 1 769 494 67 VAL C C 176.3 0.4 1 770 494 67 VAL CA C 59.6 0.4 1 771 494 67 VAL CB C 35.4 0.4 1 772 494 67 VAL CG1 C 20.9 0.4 1 773 494 67 VAL CG2 C 20.9 0.4 1 774 494 67 VAL N N 120.1 0.4 1 775 495 68 VAL H H 8.54 0.03 1 776 495 68 VAL HA H 5.03 0.03 1 777 495 68 VAL HB H 2.29 0.03 1 778 495 68 VAL HG1 H 0.94 0.03 2 779 495 68 VAL HG2 H 0.99 0.03 2 780 495 68 VAL C C 172.4 0.4 1 781 495 68 VAL CA C 59.4 0.4 1 782 495 68 VAL CB C 34.1 0.4 1 783 495 68 VAL CG1 C 22.5 0.4 2 784 495 68 VAL CG2 C 20.7 0.4 2 785 495 68 VAL N N 124.2 0.4 1 786 496 69 THR H H 8.48 0.03 1 787 496 69 THR HA H 4.49 0.03 1 788 496 69 THR HB H 3.93 0.03 1 789 496 69 THR HG2 H -0.37 0.03 1 790 496 69 THR C C 172.2 0.4 1 791 496 69 THR CA C 62.8 0.4 1 792 496 69 THR CB C 69.2 0.4 1 793 496 69 THR CG2 C 20.9 0.4 1 794 496 69 THR N N 127.7 0.4 1 795 497 70 ILE H H 8.96 0.03 1 796 497 70 ILE HA H 4.88 0.03 1 797 497 70 ILE HB H 1.75 0.03 1 798 497 70 ILE HG12 H 0.81 0.03 2 799 497 70 ILE HG13 H 0.91 0.03 2 800 497 70 ILE HG2 H 0.00 0.03 1 801 497 70 ILE HD1 H 0.59 0.03 1 802 497 70 ILE C C 176.5 0.4 1 803 497 70 ILE CA C 60.4 0.4 1 804 497 70 ILE CB C 36.9 0.4 1 805 497 70 ILE CG1 C 28.2 0.4 1 806 497 70 ILE CG2 C 19.1 0.4 1 807 497 70 ILE CD1 C 16.1 0.4 1 808 497 70 ILE N N 128.4 0.4 1 809 498 71 TRP H H 9.85 0.03 1 810 498 71 TRP HA H 5.21 0.03 1 811 498 71 TRP HB2 H 3.03 0.03 2 812 498 71 TRP HB3 H 3.45 0.03 2 813 498 71 TRP HD1 H 6.89 0.03 1 814 498 71 TRP HE1 H 9.18 0.03 1 815 498 71 TRP HE3 H 7.43 0.03 1 816 498 71 TRP HZ2 H 6.66 0.03 1 817 498 71 TRP HZ3 H 6.8 0.03 1 818 498 71 TRP HH2 H 6.45 0.03 1 819 498 71 TRP C C 176.8 0.4 1 820 498 71 TRP CA C 56.2 0.4 1 821 498 71 TRP CB C 31.5 0.4 1 822 498 71 TRP N N 134.1 0.4 1 823 498 71 TRP NE1 N 126.6 0.4 1 824 499 72 ALA H H 8.88 0.03 1 825 499 72 ALA HA H 4.51 0.03 1 826 499 72 ALA HB H 1.39 0.03 1 827 499 72 ALA C C 178.8 0.4 1 828 499 72 ALA CA C 51.9 0.4 1 829 499 72 ALA CB C 18.8 0.4 1 830 499 72 ALA N N 126.1 0.4 1 831 500 73 ALA H H 8.56 0.03 1 832 500 73 ALA HA H 3.82 0.03 1 833 500 73 ALA HB H 1.35 0.03 1 834 500 73 ALA C C 179.1 0.4 1 835 500 73 ALA CA C 55.2 0.4 1 836 500 73 ALA CB C 18.2 0.4 1 837 500 73 ALA N N 125.7 0.4 1 838 501 74 GLY H H 8.10 0.03 1 839 501 74 GLY HA2 H 4.13 0.03 2 840 501 74 GLY HA3 H 3.84 0.03 2 841 501 74 GLY C C 174.9 0.4 1 842 501 74 GLY CA C 45.6 0.4 1 843 501 74 GLY N N 104.9 0.4 1 844 502 75 ALA H H 7.61 0.03 1 845 502 75 ALA HA H 4.27 0.03 1 846 502 75 ALA HB H 1.88 0.03 1 847 502 75 ALA C C 173.1 0.4 1 848 502 75 ALA CA C 53.6 0.4 1 849 502 75 ALA CB C 20.8 0.4 1 850 502 75 ALA N N 122.4 0.4 1 851 503 76 GLY H H 7.92 0.03 1 852 503 76 GLY HA2 H 3.84 0.03 2 853 503 76 GLY HA3 H 3.67 0.03 2 854 503 76 GLY C C 173.9 0.4 1 855 503 76 GLY CA C 45.7 0.4 1 856 503 76 GLY N N 108.8 0.4 1 857 504 77 ALA H H 7.78 0.03 1 858 504 77 ALA HA H 3.71 0.03 1 859 504 77 ALA HB H 0.02 0.03 1 860 504 77 ALA C C 176.4 0.4 1 861 504 77 ALA CA C 51.2 0.4 1 862 504 77 ALA CB C 18.2 0.4 1 863 504 77 ALA N N 124.7 0.4 1 864 505 78 THR H H 7.47 0.03 1 865 505 78 THR HA H 4.13 0.03 1 866 505 78 THR HB H 3.74 0.03 1 867 505 78 THR HG2 H 1.04 0.03 1 868 505 78 THR C C 172.7 0.4 1 869 505 78 THR CA C 61.5 0.4 1 870 505 78 THR CB C 70.8 0.4 1 871 505 78 THR CG2 C 21.1 0.4 1 872 505 78 THR N N 117.1 0.4 1 873 506 79 HIS H H 8.59 0.03 1 874 506 79 HIS HA H 4.24 0.03 1 875 506 79 HIS HB2 H 2.78 0.03 2 876 506 79 HIS HB3 H 3.25 0.03 2 877 506 79 HIS HD2 H 7.10 0.03 3 878 506 79 HIS HE1 H 8.05 0.03 3 879 506 79 HIS C C 174.6 0.4 1 880 506 79 HIS CA C 58.1 0.4 1 881 506 79 HIS CB C 31.8 0.4 1 882 506 79 HIS CD2 C 119.0 0.4 3 883 506 79 HIS N N 128.4 0.4 1 884 507 80 SER H H 8.92 0.03 1 885 507 80 SER HA H 4.65 0.03 1 886 507 80 SER HB2 H 3.92 0.03 2 887 507 80 SER HB3 H 3.52 0.03 2 888 507 80 SER CA C 55.1 0.4 1 889 507 80 SER CB C 63.0 0.4 1 890 507 80 SER N N 124.7 0.4 1 891 508 81 PRO HA H 4.13 0.03 1 892 508 81 PRO HB2 H 2.00 0.03 2 893 508 81 PRO HB3 H 2.24 0.03 2 894 508 81 PRO HG2 H 1.74 0.03 2 895 508 81 PRO HG3 H 2.14 0.03 2 896 508 81 PRO HD2 H 2.78 0.03 2 897 508 81 PRO HD3 H 3.57 0.03 2 898 508 81 PRO CA C 61.9 0.4 1 899 508 81 PRO CB C 30.5 0.4 1 900 508 81 PRO CG C 27.6 0.4 1 901 508 81 PRO CD C 49.8 0.4 1 902 509 82 PRO HA H 4.56 0.03 1 903 509 82 PRO HB2 H 2.25 0.03 2 904 509 82 PRO HB3 H 2.01 0.03 2 905 509 82 PRO HG2 H 2.01 0.03 1 906 509 82 PRO HG3 H 2.01 0.03 1 907 509 82 PRO HD2 H 3.53 0.03 2 908 509 82 PRO HD3 H 3.69 0.03 2 909 509 82 PRO C C 175.4 0.4 1 910 509 82 PRO CA C 64.9 0.4 1 911 509 82 PRO CB C 34.9 0.4 1 912 509 82 PRO CG C 27.7 0.4 1 913 509 82 PRO CD C 50.2 0.4 1 914 510 83 THR H H 7.80 0.03 1 915 510 83 THR HA H 4.53 0.03 1 916 510 83 THR HB H 4.34 0.03 1 917 510 83 THR HG2 H 1.30 0.03 1 918 510 83 THR C C 175.9 0.4 1 919 510 83 THR CA C 65.0 0.4 1 920 510 83 THR CB C 69.5 0.4 1 921 510 83 THR CG2 C 21.2 0.4 1 922 510 83 THR N N 114.3 0.4 1 923 511 84 ASP H H 7.75 0.03 1 924 511 84 ASP HA H 5.79 0.03 1 925 511 84 ASP HB2 H 2.52 0.03 2 926 511 84 ASP HB3 H 2.56 0.03 2 927 511 84 ASP C C 173.2 0.4 1 928 511 84 ASP CA C 54.1 0.4 1 929 511 84 ASP CB C 45.2 0.4 1 930 511 84 ASP N N 126.3 0.4 1 931 512 85 LEU H H 9.35 0.03 1 932 512 85 LEU HA H 5.08 0.03 1 933 512 85 LEU HB2 H 1.64 0.03 2 934 512 85 LEU HB3 H 1.56 0.03 2 935 512 85 LEU HG H 1.4 0.03 1 936 512 85 LEU HD1 H 0.57 0.03 2 937 512 85 LEU HD2 H 0.74 0.03 2 938 512 85 LEU CA C 52.5 0.4 1 939 512 85 LEU CB C 43.5 0.4 1 940 512 85 LEU CG C 27.8 0.4 1 941 512 85 LEU CD1 C 25.5 0.4 2 942 512 85 LEU CD2 C 23.6 0.4 2 943 512 85 LEU N N 125.7 0.4 1 944 513 86 VAL H H 10.95 0.03 1 945 513 86 VAL HA H 4.8 0.03 1 946 513 86 VAL HB H 2.03 0.03 1 947 513 86 VAL HG1 H 0.84 0.03 2 948 513 86 VAL HG2 H 0.77 0.03 2 949 513 86 VAL C C 176.4 0.4 1 950 513 86 VAL CA C 62.2 0.4 1 951 513 86 VAL CB C 33.4 0.4 1 952 513 86 VAL CG1 C 21.4 0.4 2 953 513 86 VAL CG2 C 21.0 0.4 2 954 513 86 VAL N N 128.9 0.4 1 955 514 87 TRP H H 9.58 0.03 1 956 514 87 TRP HA H 5.10 0.03 1 957 514 87 TRP HB2 H 3.43 0.03 2 958 514 87 TRP HB3 H 2.26 0.03 2 959 514 87 TRP HD1 H 7.39 0.03 1 960 514 87 TRP HE1 H 10.18 0.03 1 961 514 87 TRP HE3 H 5.78 0.03 1 962 514 87 TRP HZ2 H 7.27 0.03 1 963 514 87 TRP HZ3 H 5.25 0.03 1 964 514 87 TRP HH2 H 6.56 0.03 1 965 514 87 TRP C C 174.1 0.4 1 966 514 87 TRP CA C 53.0 0.4 1 967 514 87 TRP CB C 28.3 0.4 1 968 514 87 TRP CZ2 C 113.9 0.4 1 969 514 87 TRP CH2 C 123.7 0.4 1 970 514 87 TRP N N 134.7 0.4 1 971 514 87 TRP NE1 N 128.6 0.4 1 972 515 88 LYS H H 8.00 0.03 1 973 515 88 LYS HA H 3.76 0.03 1 974 515 88 LYS HB2 H 1.76 0.03 1 975 515 88 LYS HB3 H 1.76 0.03 1 976 515 88 LYS HG2 H 1.37 0.03 2 977 515 88 LYS HG3 H 1.56 0.03 2 978 515 88 LYS HD2 H 1.63 0.03 1 979 515 88 LYS HD3 H 1.63 0.03 1 980 515 88 LYS HE2 H 2.91 0.03 1 981 515 88 LYS HE3 H 2.91 0.03 1 982 515 88 LYS C C 179.3 0.4 1 983 515 88 LYS CA C 59.0 0.4 1 984 515 88 LYS CB C 32.6 0.4 1 985 515 88 LYS CG C 25.6 0.4 1 986 515 88 LYS CD C 29.0 0.4 1 987 515 88 LYS CE C 41.7 0.4 1 988 515 88 LYS N N 125.8 0.4 1 989 516 89 ALA H H 7.33 0.03 1 990 516 89 ALA HA H 3.95 0.03 1 991 516 89 ALA HB H 1.28 0.03 1 992 516 89 ALA C C 176.0 0.4 1 993 516 89 ALA CA C 52.9 0.4 1 994 516 89 ALA CB C 19.6 0.4 1 995 516 89 ALA N N 118.0 0.4 1 996 517 90 GLN H H 6.2 0.03 1 997 517 90 GLN HA H 4.07 0.03 1 998 517 90 GLN HB2 H 0.43 0.03 2 999 517 90 GLN HB3 H -0.15 0.03 2 1000 517 90 GLN HG2 H 0.38 0.03 2 1001 517 90 GLN HG3 H 0.86 0.03 2 1002 517 90 GLN HE21 H 7.28 0.03 2 1003 517 90 GLN HE22 H 6.64 0.03 2 1004 517 90 GLN CA C 52.3 0.4 1 1005 517 90 GLN CB C 29.2 0.4 1 1006 517 90 GLN CG C 31.3 0.4 1 1007 517 90 GLN CD C 179.0 0.4 1 1008 517 90 GLN N N 117.4 0.4 1 1009 517 90 GLN NE2 N 113.2 0.4 1 1010 518 91 ASN H H 8.62 0.03 1 1011 518 91 ASN HA H 4.20 0.03 1 1012 518 91 ASN HB2 H 2.66 0.03 2 1013 518 91 ASN HB3 H 2.59 0.03 2 1014 518 91 ASN C C 174.6 0.4 1 1015 518 91 ASN CA C 56.1 0.4 1 1016 518 91 ASN CB C 38.8 0.4 1 1017 519 92 THR H H 7.18 0.03 1 1018 519 92 THR HA H 4.37 0.03 1 1019 519 92 THR HB H 4.04 0.03 1 1020 519 92 THR HG2 H 0.96 0.03 1 1021 519 92 THR C C 171.8 0.4 1 1022 519 92 THR CA C 59.2 0.4 1 1023 519 92 THR CB C 70.0 0.4 1 1024 519 92 THR CG2 C 18.3 0.4 1 1025 519 92 THR N N 112.5 0.4 1 1026 520 93 TRP H H 9.79 0.03 1 1027 520 93 TRP HA H 4.27 0.03 1 1028 520 93 TRP HB2 H 2.86 0.03 2 1029 520 93 TRP HB3 H 3.2 0.03 2 1030 520 93 TRP C C 176.1 0.4 1 1031 520 93 TRP CA C 60.3 0.4 1 1032 520 93 TRP CB C 29.1 0.4 1 1033 520 93 TRP N N 128.4 0.4 1 1034 521 94 GLY H H 8.52 0.03 1 1035 521 94 GLY HA2 H 4.29 0.03 2 1036 521 94 GLY HA3 H 3.54 0.03 2 1037 521 94 GLY C C 171.9 0.4 1 1038 521 94 GLY CA C 44.1 0.4 1 1039 521 94 GLY N N 108.2 0.4 1 1040 522 95 CYS H H 7.91 0.03 1 1041 522 95 CYS HA H 4.40 0.03 1 1042 522 95 CYS HB2 H 2.95 0.03 2 1043 522 95 CYS HB3 H 2.68 0.03 2 1044 522 95 CYS C C 177.8 0.4 1 1045 522 95 CYS CA C 56.8 0.4 1 1046 522 95 CYS N N 116.0 0.4 1 1047 523 96 GLY H H 7.94 0.03 1 1048 523 96 GLY HA2 H 3.85 0.03 1 1049 523 96 GLY HA3 H 3.85 0.03 1 1050 523 96 GLY CA C 45.1 0.4 1 1051 523 96 GLY N N 108.8 0.4 1 1052 524 97 ASN H H 8.67 0.03 1 1053 524 97 ASN HA H 4.79 0.03 1 1054 524 97 ASN HB2 H 2.70 0.03 2 1055 524 97 ASN HB3 H 2.99 0.03 2 1056 524 97 ASN HD21 H 6.98 0.03 2 1057 524 97 ASN HD22 H 7.63 0.03 2 1058 524 97 ASN C C 175.2 0.4 1 1059 524 97 ASN CA C 54.2 0.4 1 1060 524 97 ASN CB C 39.3 0.4 1 1061 524 97 ASN CG C 176.5 0.4 1 1062 524 97 ASN N N 115.3 0.4 1 1063 524 97 ASN ND2 N 115.1 0.4 1 1064 525 98 SER H H 7.59 0.03 1 1065 525 98 SER HA H 5.27 0.03 1 1066 525 98 SER HB2 H 3.70 0.03 2 1067 525 98 SER HB3 H 3.75 0.03 2 1068 525 98 SER C C 173.5 0.4 2 1069 525 98 SER CA C 56.8 0.4 1 1070 525 98 SER CB C 63.9 0.4 1 1071 525 98 SER N N 114.8 0.4 1 1072 526 99 LEU H H 9.21 0.03 1 1073 526 99 LEU HA H 5.24 0.03 1 1074 526 99 LEU HB2 H 1.1 0.03 2 1075 526 99 LEU HB3 H 1.67 0.03 2 1076 526 99 LEU HG H 1.49 0.03 1 1077 526 99 LEU HD1 H 0.58 0.03 2 1078 526 99 LEU HD2 H 0.56 0.03 2 1079 526 99 LEU C C 176.3 0.4 1 1080 526 99 LEU CA C 53.6 0.4 1 1081 526 99 LEU CB C 43.1 0.4 1 1082 526 99 LEU CG C 27.4 0.4 1 1083 526 99 LEU CD1 C 25.5 0.4 2 1084 526 99 LEU CD2 C 23.9 0.4 2 1085 526 99 LEU N N 127.6 0.4 1 1086 527 100 ARG H H 9.33 0.03 1 1087 527 100 ARG HA H 4.70 0.03 1 1088 527 100 ARG HB2 H 1.55 0.03 1 1089 527 100 ARG HB3 H 1.55 0.03 1 1090 527 100 ARG CA C 56.5 0.4 1 1091 527 100 ARG CB C 27.9 0.4 1 1092 527 100 ARG N N 131.2 0.4 1 1093 528 101 THR H H 8.41 0.03 1 1094 528 101 THR HA H 4.86 0.03 1 1095 528 101 THR HB H 3.75 0.03 1 1096 528 101 THR HG2 H 0.77 0.03 1 1097 528 101 THR C C 171.7 0.4 1 1098 528 101 THR CA C 62.8 0.4 1 1099 528 101 THR CB C 70.2 0.4 1 1100 528 101 THR CG2 C 22.7 0.4 1 1101 529 102 ALA H H 9.39 0.03 1 1102 529 102 ALA HA H 5.13 0.03 1 1103 529 102 ALA HB H 1.38 0.03 1 1104 529 102 ALA C C 174.1 0.4 1 1105 529 102 ALA CA C 50.4 0.4 1 1106 529 102 ALA CB C 23.6 0.4 1 1107 529 102 ALA N N 131.5 0.4 1 1108 530 103 LEU H H 8.93 0.03 1 1109 530 103 LEU HA H 5.07 0.03 1 1110 530 103 LEU HB2 H 1.98 0.03 2 1111 530 103 LEU HB3 H 1.63 0.03 2 1112 530 103 LEU HG H 1.18 0.03 1 1113 530 103 LEU HD1 H 0.93 0.03 2 1114 530 103 LEU HD2 H 0.78 0.03 2 1115 530 103 LEU C C 173.6 0.4 1 1116 530 103 LEU CA C 53.2 0.4 1 1117 530 103 LEU CB C 46.0 0.4 1 1118 530 103 LEU CG C 24.1 0.4 1 1119 530 103 LEU CD1 C 27.9 0.4 1 1120 530 103 LEU CD2 C 27.9 0.4 1 1121 530 103 LEU N N 126.0 0.4 1 1122 531 104 ILE H H 9.60 0.03 1 1123 531 104 ILE HA H 4.78 0.03 1 1124 531 104 ILE HB H 1.84 0.03 1 1125 531 104 ILE HG12 H 1.13 0.03 2 1126 531 104 ILE HG13 H 1.35 0.03 2 1127 531 104 ILE HG2 H 0.80 0.03 1 1128 531 104 ILE HD1 H 0.68 0.03 1 1129 531 104 ILE C C 175.8 0.4 1 1130 531 104 ILE CA C 57.5 0.4 1 1131 531 104 ILE CB C 39.0 0.4 1 1132 531 104 ILE CG1 C 27.7 0.4 1 1133 531 104 ILE CG2 C 16.9 0.4 1 1134 531 104 ILE CD1 C 11.0 0.4 1 1135 531 104 ILE N N 131.3 0.4 1 1136 532 105 ASN H H 8.00 0.03 1 1137 532 105 ASN HA H 2.46 0.03 1 1138 532 105 ASN HB2 H 2.67 0.03 2 1139 532 105 ASN HB3 H 1.30 0.03 2 1140 532 105 ASN HD21 H 7.22 0.03 2 1141 532 105 ASN HD22 H 7.12 0.03 2 1142 532 105 ASN C C 177.3 0.4 1 1143 532 105 ASN CA C 50.5 0.4 1 1144 532 105 ASN CB C 37.2 0.4 1 1145 532 105 ASN CG C 178.5 0.4 1 1146 532 105 ASN N N 123.8 0.4 1 1147 532 105 ASN ND2 N 113.1 0.4 1 1148 533 106 SER H H 6.62 0.03 1 1149 533 106 SER HA H 4.08 0.03 1 1150 533 106 SER HB2 H 4.16 0.03 1 1151 533 106 SER HB3 H 4.16 0.03 1 1152 533 106 SER C C 175.3 0.4 1 1153 533 106 SER CA C 60.7 0.4 1 1154 533 106 SER CB C 63.2 0.4 1 1155 533 106 SER N N 112.1 0.4 1 1156 534 107 THR H H 7.34 0.03 1 1157 534 107 THR HA H 4.40 0.03 1 1158 534 107 THR HB H 4.39 0.03 1 1159 534 107 THR HG2 H 1.07 0.03 1 1160 534 107 THR C C 174.9 0.4 1 1161 534 107 THR CA C 61.1 0.4 1 1162 534 107 THR CB C 68.7 0.4 1 1163 534 107 THR CG2 C 21.8 0.4 1 1164 534 107 THR N N 112.7 0.4 1 1165 535 108 GLY H H 7.47 0.03 1 1166 535 108 GLY HA2 H 3.35 0.03 2 1167 535 108 GLY HA3 H 4.14 0.03 2 1168 535 108 GLY C C 173.9 0.4 1 1169 535 108 GLY CA C 45.6 0.4 1 1170 535 108 GLY N N 109.7 0.4 1 1171 536 109 GLU H H 7.81 0.03 1 1172 536 109 GLU HA H 4.14 0.03 1 1173 536 109 GLU HB2 H 1.65 0.03 1 1174 536 109 GLU HB3 H 1.65 0.03 1 1175 536 109 GLU HG2 H 1.91 0.03 2 1176 536 109 GLU HG3 H 2.00 0.03 2 1177 536 109 GLU C C 175.2 0.4 1 1178 536 109 GLU CA C 55.2 0.4 1 1179 536 109 GLU CB C 30.5 0.4 1 1180 536 109 GLU CG C 36.1 0.4 1 1181 536 109 GLU N N 123.7 0.4 1 1182 537 110 GLU H H 8.70 0.03 1 1183 537 110 GLU HA H 4.49 0.03 1 1184 537 110 GLU HB2 H 1.89 0.03 1 1185 537 110 GLU HB3 H 1.89 0.03 1 1186 537 110 GLU HG2 H 1.75 0.03 2 1187 537 110 GLU HG3 H 2.10 0.03 2 1188 537 110 GLU C C 176.7 0.4 1 1189 537 110 GLU CA C 56.7 0.4 1 1190 537 110 GLU CB C 30.1 0.4 1 1191 537 110 GLU CG C 36.1 0.4 1 1192 537 110 GLU N N 126.8 0.4 1 1193 538 111 VAL H H 8.81 0.03 1 1194 538 111 VAL HA H 4.42 0.03 1 1195 538 111 VAL HB H 2.24 0.03 1 1196 538 111 VAL HG1 H 0.71 0.03 1 1197 538 111 VAL HG2 H 0.71 0.03 1 1198 538 111 VAL C C 176.1 0.4 1 1199 538 111 VAL CA C 61.4 0.4 1 1200 538 111 VAL CB C 32.7 0.4 1 1201 538 111 VAL CG1 C 21.9 0.4 1 1202 538 111 VAL CG2 C 21.9 0.4 1 1203 538 111 VAL N N 123.5 0.4 1 1204 539 112 ALA H H 7.93 0.03 1 1205 539 112 ALA HA H 4.42 0.03 1 1206 539 112 ALA HB H 1.88 0.03 1 1207 539 112 ALA C C 175.7 0.4 1 1208 539 112 ALA CA C 52.5 0.4 1 1209 539 112 ALA CB C 23.5 0.4 1 1210 539 112 ALA N N 124.6 0.4 1 1211 540 113 MET H H 9.20 0.03 1 1212 540 113 MET HA H 5.34 0.03 1 1213 540 113 MET HB2 H 1.85 0.03 2 1214 540 113 MET HB3 H 2.22 0.03 2 1215 540 113 MET HG2 H 2.50 0.03 1 1216 540 113 MET HG3 H 2.50 0.03 1 1217 540 113 MET HE H 1.87 0.03 1 1218 540 113 MET C C 175.7 0.4 1 1219 540 113 MET CA C 54.8 0.4 1 1220 540 113 MET CB C 34.4 0.4 1 1221 540 113 MET CG C 31.0 0.4 1 1222 540 113 MET CE C 17.6 0.4 1 1223 540 113 MET N N 116.7 0.4 1 1224 541 114 ARG H H 8.94 0.03 1 1225 541 114 ARG HA H 4.93 0.03 1 1226 541 114 ARG C C 174.7 0.4 1 1227 541 114 ARG CA C 57.3 0.4 1 1228 541 114 ARG CB C 33.4 0.4 1 1229 541 114 ARG N N 123.2 0.4 1 1230 542 115 LYS H H 9.83 0.03 1 1231 542 115 LYS HA H 5.25 0.03 1 1232 542 115 LYS HB2 H 1.56 0.03 1 1233 542 115 LYS HB3 H 1.56 0.03 1 1234 542 115 LYS C C 172.8 0.4 1 1235 542 115 LYS CA C 54.6 0.4 1 1236 542 115 LYS CB C 36.8 0.4 1 1237 542 115 LYS N N 135.4 0.4 1 1238 543 116 LEU H H 8.78 0.03 1 1239 543 116 LEU HA H 5.24 0.03 1 1240 543 116 LEU HB2 H 1.24 0.03 2 1241 543 116 LEU HB3 H 1.53 0.03 2 1242 543 116 LEU HG H 1.45 0.03 1 1243 543 116 LEU HD1 H 0.37 0.03 2 1244 543 116 LEU HD2 H 0.56 0.03 2 1245 543 116 LEU C C 176.0 0.4 1 1246 543 116 LEU CA C 54.5 0.4 1 1247 543 116 LEU CB C 45.2 0.4 1 1248 543 116 LEU CG C 31.0 0.4 1 1249 543 116 LEU CD1 C 25.6 0.4 2 1250 543 116 LEU CD2 C 23.6 0.4 2 1251 543 116 LEU N N 131.8 0.4 1 1252 544 117 VAL H H 8.80 0.03 1 1253 544 117 VAL HA H 5.11 0.03 1 1254 544 117 VAL HB H 1.99 0.03 1 1255 544 117 VAL HG1 H 0.93 0.03 1 1256 544 117 VAL HG2 H 0.93 0.03 1 1257 544 117 VAL C C 175.2 0.4 1 1258 544 117 VAL CA C 60.5 0.4 1 1259 544 117 VAL CB C 35.6 0.4 1 1260 544 117 VAL CG1 C 21.3 0.4 1 1261 544 117 VAL CG2 C 21.3 0.4 1 1262 544 117 VAL N N 121.9 0.4 1 1263 545 118 ARG H H 8.95 0.03 1 1264 545 118 ARG HA H 4.14 0.03 1 1265 545 118 ARG HB2 H 1.50 0.03 2 1266 545 118 ARG HB3 H 1.24 0.03 2 1267 545 118 ARG HG2 H 1.05 0.03 2 1268 545 118 ARG HG3 H 1.22 0.03 2 1269 545 118 ARG HD2 H 2.63 0.03 2 1270 545 118 ARG HD3 H 2.77 0.03 2 1271 545 118 ARG C C 175.7 0.4 1 1272 545 118 ARG CA C 56.2 0.4 1 1273 545 118 ARG CB C 31.0 0.4 1 1274 545 118 ARG CG C 26.9 0.4 1 1275 545 118 ARG CD C 43.1 0.4 1 1276 545 118 ARG N N 131.3 0.4 1 1277 546 119 SER H H 8.52 0.03 1 1278 546 119 SER HA H 4.43 0.03 1 1279 546 119 SER HB2 H 3.80 0.03 1 1280 546 119 SER HB3 H 3.80 0.03 1 1281 546 119 SER C C 174.1 0.4 1 1282 546 119 SER CA C 58.1 0.4 1 1283 546 119 SER CB C 63.9 0.4 1 1284 546 119 SER N N 122.2 0.4 1 1285 547 120 VAL H H 8.17 0.03 1 1286 547 120 VAL HA H 4.20 0.03 1 1287 547 120 VAL HB H 1.98 0.03 1 1288 547 120 VAL HG1 H 0.85 0.03 1 1289 547 120 VAL HG2 H 0.85 0.03 1 1290 547 120 VAL C C 176.0 0.4 1 1291 547 120 VAL CA C 62.2 0.4 1 1292 547 120 VAL CB C 33.1 0.4 1 1293 547 120 VAL CG1 C 21.1 0.4 1 1294 547 120 VAL CG2 C 21.1 0.4 1 1295 547 120 VAL N N 122.6 0.4 1 stop_ save_