data_16884 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N Chemical Shift assignments for RRM3 of Brunol-3. ; _BMRB_accession_number 16884 _BMRB_flat_file_name bmr16884.str _Entry_type original _Submission_date 2010-04-20 _Accession_date 2010-04-20 _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 Kashyap Maruthi P. . 2 Bhatt Harshesh P. . 3 Bhavesh 'Neel Sarovar' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 492 "13C chemical shifts" 395 "15N chemical shifts" 107 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-12-15 original author . stop_ _Original_release_date 2011-12-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C and 15N NMR assignments of RNA recognizing motifs 1 and 2 of BRUNOL-3 protein from human involved in myotonic dystrophy' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20443086 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kashyap Maruthi P. . 2 Bhatt Harshesh P. . 3 Bhavesh 'Neel Sarovar' . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 4 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 143 _Page_last 145 _Year 2010 _Details . loop_ _Keyword BRUNOL-3 CUGBP2 RRM stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RRM3 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RRM3 $RRM3 stop_ _System_molecular_weight 10917.5 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RRM3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RRM3 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Alternate Splicing involved in myotonic dystrophy' 'domain of RNA binding protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 97 _Mol_residue_sequence ; GSHMQKEGPEGANLFIYHLP QEFGDQDILQMFMPFGNVIS AKVFIDKQTNLSKCFGFVSY DNPVSAQAAIQAMNGFQIGM KRLKVQLKRSKNDSKPY ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 394 GLY 2 395 SER 3 396 HIS 4 397 MET 5 398 GLN 6 399 LYS 7 400 GLU 8 401 GLY 9 402 PRO 10 403 GLU 11 404 GLY 12 405 ALA 13 406 ASN 14 407 LEU 15 408 PHE 16 409 ILE 17 410 TYR 18 411 HIS 19 412 LEU 20 413 PRO 21 414 GLN 22 415 GLU 23 416 PHE 24 417 GLY 25 418 ASP 26 419 GLN 27 420 ASP 28 421 ILE 29 422 LEU 30 423 GLN 31 424 MET 32 425 PHE 33 426 MET 34 427 PRO 35 428 PHE 36 429 GLY 37 430 ASN 38 431 VAL 39 432 ILE 40 433 SER 41 434 ALA 42 435 LYS 43 436 VAL 44 437 PHE 45 438 ILE 46 439 ASP 47 440 LYS 48 441 GLN 49 442 THR 50 443 ASN 51 444 LEU 52 445 SER 53 446 LYS 54 447 CYS 55 448 PHE 56 449 GLY 57 450 PHE 58 451 VAL 59 452 SER 60 453 TYR 61 454 ASP 62 455 ASN 63 456 PRO 64 457 VAL 65 458 SER 66 459 ALA 67 460 GLN 68 461 ALA 69 462 ALA 70 463 ILE 71 464 GLN 72 465 ALA 73 466 MET 74 467 ASN 75 468 GLY 76 469 PHE 77 470 GLN 78 471 ILE 79 472 GLY 80 473 MET 81 474 LYS 82 475 ARG 83 476 LEU 84 477 LYS 85 478 VAL 86 479 GLN 87 480 LEU 88 481 LYS 89 482 ARG 90 483 SER 91 484 LYS 92 485 ASN 93 486 ASP 94 487 SER 95 488 LYS 96 489 PRO 97 490 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-30 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 BMRB 19685 entity 100.00 97 100.00 100.00 3.52e-64 PDB 2MY7 "Nmr Structure Of Unfolding Intermediate State Of Rrm-3 Domain Of Etr-3" 98.97 97 100.00 100.00 5.50e-63 PDB 2MY8 "Nmr Structure Of Rrm-3 Domain Of Etr-3" 98.97 97 100.00 100.00 5.50e-63 PDB 4LJM "Crystal Structure Of C-terminal Rna Recognition Motif Of Human Etr3" 100.00 97 100.00 100.00 3.52e-64 DBJ BAE36341 "unnamed protein product [Mus musculus]" 95.88 238 100.00 100.00 6.85e-63 DBJ BAG58428 "unnamed protein product [Homo sapiens]" 95.88 403 100.00 100.00 5.68e-60 DBJ BAG59778 "unnamed protein product [Homo sapiens]" 95.88 314 100.00 100.00 1.34e-61 DBJ BAG63913 "unnamed protein product [Homo sapiens]" 95.88 280 100.00 100.00 1.81e-62 EMBL CAF96701 "unnamed protein product [Tetraodon nigroviridis]" 82.47 795 98.75 100.00 4.33e-47 EMBL CDQ91280 "unnamed protein product [Oncorhynchus mykiss]" 95.88 325 97.85 100.00 5.03e-61 GB AAF89096 "RNA binding protein NAPOR-3, partial [Rattus norvegicus]" 95.88 226 100.00 100.00 4.62e-62 GB AAH45035 "Cugbp2-A-prov protein [Xenopus laevis]" 95.88 536 100.00 100.00 3.60e-58 GB AAI36077 "LOC100125022 protein [Xenopus (Silurana) tropicalis]" 95.88 513 100.00 100.00 1.92e-58 GB AAP57761 "ELAV-type RNA-binding protein 3 variant 4 [Gallus gallus]" 95.88 488 100.00 100.00 1.21e-58 GB AAP57762 "ELAV-type RNA-binding protein 3 variant L [Gallus gallus]" 95.88 484 100.00 100.00 1.44e-58 REF NP_001079593 "CUGBP Elav-like family member 2 [Xenopus laevis]" 95.88 536 100.00 100.00 3.60e-58 REF NP_001096417 "CUGBP Elav-like family member 2 [Xenopus (Silurana) tropicalis]" 95.88 513 100.00 100.00 1.92e-58 REF NP_001279263 "CUGBP, Elav-like family member 2 [Callorhinchus milii]" 95.88 513 98.92 100.00 1.41e-57 REF XP_004574118 "PREDICTED: CUGBP Elav-like family member 1 isoform X1 [Maylandia zebra]" 95.88 511 97.85 100.00 2.88e-57 REF XP_004574119 "PREDICTED: CUGBP Elav-like family member 1 isoform X2 [Maylandia zebra]" 95.88 510 97.85 100.00 2.92e-57 SP A4IIM2 "RecName: Full=CUGBP Elav-like family member 2; Short=CELF-2; AltName: Full=Bruno-like protein 3; AltName: Full=CUG triplet repe" 95.88 513 100.00 100.00 1.92e-58 SP Q7T2T1 "RecName: Full=CUGBP Elav-like family member 2; Short=CELF-2; AltName: Full=Bruno-like protein 3; AltName: Full=CUG triplet repe" 95.88 484 100.00 100.00 1.44e-58 SP Q7ZXE2 "RecName: Full=CUGBP Elav-like family member 2; Short=CELF-2; AltName: Full=Bruno-like protein 3; AltName: Full=CUG triplet repe" 95.88 536 100.00 100.00 3.60e-58 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RRM3 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 _Variant _Vector_name $RRM3 'recombinant technology' . Escherichia coli BL21(DE3) 'codon plus' pET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $RRM3 . mM 1 1.2 '[U-13C; U-15N]' 'sodium phosphate' 20 mM . . 'natural abundance' 'sodium chloride' 50 mM . . 'natural abundance' 'sodium azide' 0.1 % . . 'natural abundance' D2O 5 % . . '[U-99% 2H]' D2O 95 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HNN_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNN' _Sample_label $sample_1 save_ save_3D_HN(C)N_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(C)N' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.05 pH temperature 308 0.01 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference _Mol_system_component_name RRM3 _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 1 394 1 GLY H H 8.49 0.02 1 2 394 1 GLY HA2 H 3.98 0.02 1 3 394 1 GLY C C 168.6 0.3 1 4 394 1 GLY CA C 39.8 0.3 1 5 394 1 GLY N N 110.1 0.3 1 6 395 2 SER H H 8.24 0.02 1 7 395 2 SER HA H 4.38 0.02 1 8 395 2 SER HB2 H 3.82 0.02 1 9 395 2 SER C C 168.8 0.3 1 10 395 2 SER CA C 52.8 0.3 1 11 395 2 SER CB C 58.2 0.3 1 12 395 2 SER N N 115.4 0.3 1 13 396 3 HIS H H 8.13 0.02 1 14 396 3 HIS HA H 4.64 0.02 1 15 396 3 HIS HB3 H 3.14 0.02 1 16 396 3 HIS C C 169.0 0.3 1 17 396 3 HIS CA C 48.6 0.3 1 18 396 3 HIS CB C 27.1 0.3 1 19 396 3 HIS N N 123.5 0.3 1 20 397 4 MET H H 8.23 0.02 1 21 397 4 MET HA H 4.40 0.02 1 22 397 4 MET HB2 H 2.43 0.02 1 23 397 4 MET HG2 H 1.97 0.02 1 24 397 4 MET C C 171.2 0.3 1 25 397 4 MET CA C 49.9 0.3 1 26 397 4 MET CB C 27.3 0.3 1 27 397 4 MET N N 120.8 0.3 1 28 398 5 GLN H H 8.41 0.02 1 29 398 5 GLN HA H 4.26 0.02 1 30 398 5 GLN HB3 H 1.84 0.02 1 31 398 5 GLN HE21 H 6.67 0.02 1 32 398 5 GLN HE22 H 7.42 0.02 1 33 398 5 GLN HG2 H 2.12 0.02 2 34 398 5 GLN HG3 H 2.19 0.02 2 35 398 5 GLN C C 169.7 0.3 1 36 398 5 GLN CA C 50.0 0.3 1 37 398 5 GLN CB C 23.7 0.3 1 38 398 5 GLN CG C 27.0 0.3 1 39 398 5 GLN N N 121.7 0.3 1 40 398 5 GLN NE2 N 110.6 0.3 1 41 399 6 LYS H H 8.24 0.02 1 42 399 6 LYS HA H 4.30 0.02 1 43 399 6 LYS HB3 H 1.74 0.02 1 44 399 6 LYS HD2 H 1.66 0.02 1 45 399 6 LYS HE2 H 2.95 0.02 1 46 399 6 LYS HG2 H 1.36 0.02 1 47 399 6 LYS C C 169.7 0.3 1 48 399 6 LYS CA C 50.5 0.3 1 49 399 6 LYS CB C 27.9 0.3 1 50 399 6 LYS CD C 23.5 0.3 1 51 399 6 LYS CE C 36.5 0.3 1 52 399 6 LYS CG C 19.1 0.3 1 53 399 6 LYS N N 123.1 0.3 1 54 400 7 GLU H H 8.24 0.02 1 55 400 7 GLU HA H 4.51 0.02 1 56 400 7 GLU HB2 H 1.93 0.02 2 57 400 7 GLU HB3 H 2.19 0.02 2 58 400 7 GLU HG2 H 2.16 0.02 2 59 400 7 GLU HG3 H 2.30 0.02 2 60 400 7 GLU C C 171.3 0.3 1 61 400 7 GLU CA C 50.3 0.3 1 62 400 7 GLU CB C 26.1 0.3 1 63 400 7 GLU CG C 31.1 0.3 1 64 400 7 GLU N N 121.5 0.3 1 65 401 8 GLY H H 9.08 0.02 1 66 401 8 GLY HA2 H 4.18 0.02 2 67 401 8 GLY HA3 H 4.34 0.02 2 68 401 8 GLY C C 166.4 0.3 1 69 401 8 GLY CA C 38.5 0.3 1 70 401 8 GLY N N 109.8 0.3 1 71 402 9 PRO HA H 4.50 0.02 1 72 402 9 PRO HB3 H 2.38 0.02 1 73 402 9 PRO HD2 H 3.66 0.02 2 74 402 9 PRO HD3 H 3.55 0.02 2 75 402 9 PRO HG2 H 2.06 0.02 2 76 402 9 PRO HG3 H 1.64 0.02 2 77 402 9 PRO C C 168.8 0.3 1 78 402 9 PRO CA C 56.7 0.3 1 79 402 9 PRO CB C 27.1 0.3 1 80 402 9 PRO CD C 43.4 0.3 1 81 402 9 PRO CG C 21.3 0.3 1 82 403 10 GLU H H 8.39 0.02 1 83 403 10 GLU HA H 4.08 0.02 1 84 403 10 GLU HB2 H 1.98 0.02 2 85 403 10 GLU HB3 H 2.06 0.02 2 86 403 10 GLU HG2 H 2.31 0.02 2 87 403 10 GLU HG3 H 2.36 0.02 2 88 403 10 GLU C C 172.8 0.3 1 89 403 10 GLU CA C 52.7 0.3 1 90 403 10 GLU CB C 23.7 0.3 1 91 403 10 GLU CG C 30.3 0.3 1 92 403 10 GLU N N 119.2 0.3 1 93 404 11 GLY H H 8.53 0.02 1 94 404 11 GLY HA2 H 4.38 0.02 2 95 404 11 GLY HA3 H 3.83 0.02 2 96 404 11 GLY C C 168.2 0.3 1 97 404 11 GLY CA C 39.9 0.3 1 98 404 11 GLY N N 112.7 0.3 1 99 405 12 ALA H H 8.35 0.02 1 100 405 12 ALA HA H 4.63 0.02 1 101 405 12 ALA HB H 1.15 0.02 1 102 405 12 ALA C C 168.9 0.3 1 103 405 12 ALA CA C 45.4 0.3 1 104 405 12 ALA CB C 15.3 0.3 1 105 405 12 ALA N N 119.8 0.3 1 106 406 13 ASN H H 7.42 0.02 1 107 406 13 ASN HA H 5.26 0.02 1 108 406 13 ASN HB2 H 2.53 0.02 2 109 406 13 ASN HB3 H 2.82 0.02 2 110 406 13 ASN HD21 H 6.67 0.02 1 111 406 13 ASN HD22 H 7.69 0.02 1 112 406 13 ASN C C 167.8 0.3 1 113 406 13 ASN CA C 47.2 0.3 1 114 406 13 ASN CB C 36.1 0.3 1 115 406 13 ASN N N 115.0 0.3 1 116 406 13 ASN ND2 N 114.9 0.3 1 117 407 14 LEU H H 9.31 0.02 1 118 407 14 LEU HA H 5.07 0.02 1 119 407 14 LEU HB2 H 1.11 0.02 2 120 407 14 LEU HB3 H 1.54 0.02 2 121 407 14 LEU HD2 H 0.75 0.02 1 122 407 14 LEU HG H 0.77 0.02 1 123 407 14 LEU C C 169.8 0.3 1 124 407 14 LEU CA C 48.0 0.3 1 125 407 14 LEU CB C 40.2 0.3 1 126 407 14 LEU CD2 C 19.8 0.3 1 127 407 14 LEU CG C 21.0 0.3 1 128 407 14 LEU N N 123.0 0.3 1 129 408 15 PHE H H 9.11 0.02 1 130 408 15 PHE HA H 5.38 0.02 1 131 408 15 PHE HB2 H 2.85 0.02 2 132 408 15 PHE HB3 H 2.88 0.02 2 133 408 15 PHE HD1 H 7.41 0.02 1 134 408 15 PHE HE1 H 6.95 0.02 1 135 408 15 PHE C C 169.1 0.3 1 136 408 15 PHE CA C 51.1 0.3 1 137 408 15 PHE CB C 37.6 0.3 1 138 408 15 PHE CD2 C 126.1 0.3 1 139 408 15 PHE CE1 C 125.4 0.3 1 140 408 15 PHE N N 118.7 0.3 1 141 409 16 ILE H H 8.39 0.02 1 142 409 16 ILE HA H 5.03 0.02 1 143 409 16 ILE HB H 1.38 0.02 1 144 409 16 ILE HD1 H 0.24 0.02 1 145 409 16 ILE HG12 H 0.94 0.02 2 146 409 16 ILE HG13 H 1.14 0.02 2 147 409 16 ILE HG2 H 0.93 0.02 1 148 409 16 ILE C C 168.8 0.3 1 149 409 16 ILE CA C 53.9 0.3 1 150 409 16 ILE CB C 35.4 0.3 1 151 409 16 ILE CD1 C 10.6 0.3 1 152 409 16 ILE CG1 C 23.4 0.3 1 153 409 16 ILE CG2 C 15.4 0.3 1 154 409 16 ILE N N 120.7 0.3 1 155 410 17 TYR H H 9.46 0.02 1 156 410 17 TYR HA H 5.04 0.02 1 157 410 17 TYR HB2 H 2.49 0.02 2 158 410 17 TYR HB3 H 2.77 0.02 2 159 410 17 TYR HD1 H 6.85 0.02 1 160 410 17 TYR HE1 H 6.37 0.02 1 161 410 17 TYR C C 169.2 0.3 1 162 410 17 TYR CA C 51.1 0.3 1 163 410 17 TYR CB C 35.4 0.3 1 164 410 17 TYR CD2 C 127.8 0.3 1 165 410 17 TYR CE1 C 112.5 0.3 1 166 410 17 TYR N N 122.8 0.3 1 167 411 18 HIS H H 8.78 0.02 1 168 411 18 HIS HA H 4.53 0.02 1 169 411 18 HIS HB2 H 4.08 0.02 2 170 411 18 HIS HB3 H 3.13 0.02 2 171 411 18 HIS HD2 H 7.21 0.02 1 172 411 18 HIS C C 168.2 0.3 1 173 411 18 HIS CA C 49.9 0.3 1 174 411 18 HIS CB C 20.8 0.3 1 175 411 18 HIS CD2 C 115.2 0.3 1 176 411 18 HIS N N 112.1 0.3 1 177 412 19 LEU H H 7.54 0.02 1 178 412 19 LEU HA H 4.04 0.02 1 179 412 19 LEU HB2 H 1.12 0.02 2 180 412 19 LEU HB3 H 1.18 0.02 2 181 412 19 LEU HD2 H 0.71 0.02 1 182 412 19 LEU HG H 0.90 0.02 1 183 412 19 LEU C C 170.0 0.3 1 184 412 19 LEU CA C 47.2 0.3 1 185 412 19 LEU CB C 36.8 0.3 1 186 412 19 LEU CD2 C 18.3 0.3 1 187 412 19 LEU CG C 19.8 0.3 1 188 412 19 LEU N N 114.1 0.3 1 189 413 20 PRO HA H 4.35 0.02 1 190 413 20 PRO HB3 H 2.38 0.02 1 191 413 20 PRO HD2 H 3.28 0.02 1 192 413 20 PRO HG2 H 1.31 0.02 2 193 413 20 PRO HG3 H 1.67 0.02 2 194 413 20 PRO C C 172.5 0.3 1 195 413 20 PRO CA C 57.2 0.3 1 196 413 20 PRO CB C 27.1 0.3 1 197 413 20 PRO CD C 44.2 0.3 1 198 413 20 PRO CG C 22.6 0.3 1 199 414 21 GLN H H 9.10 0.02 1 200 414 21 GLN HA H 4.16 0.02 1 201 414 21 GLN HB2 H 2.13 0.02 2 202 414 21 GLN HB3 H 2.04 0.02 2 203 414 21 GLN HE21 H 6.81 0.02 1 204 414 21 GLN HE22 H 7.33 0.02 1 205 414 21 GLN HG2 H 2.51 0.02 2 206 414 21 GLN HG3 H 2.40 0.02 2 207 414 21 GLN C C 170.3 0.3 1 208 414 21 GLN CA C 53.4 0.3 1 209 414 21 GLN CB C 23.4 0.3 1 210 414 21 GLN CG C 28.5 0.3 1 211 414 21 GLN N N 125.8 0.3 1 212 414 21 GLN NE2 N 111.2 0.3 1 213 415 22 GLU H H 9.19 0.02 1 214 415 22 GLU HA H 4.34 0.02 1 215 415 22 GLU HB2 H 2.07 0.02 2 216 415 22 GLU HB3 H 2.07 0.02 2 217 415 22 GLU HG2 H 2.38 0.02 1 218 415 22 GLU C C 171.6 0.3 1 219 415 22 GLU CA C 51.6 0.3 1 220 415 22 GLU CB C 23.2 0.3 1 221 415 22 GLU CG C 30.8 0.3 1 222 415 22 GLU N N 114.4 0.3 1 223 416 23 PHE H H 7.60 0.02 1 224 416 23 PHE HA H 4.69 0.02 1 225 416 23 PHE HB2 H 3.45 0.02 2 226 416 23 PHE HB3 H 2.87 0.02 2 227 416 23 PHE HD1 H 7.04 0.02 1 228 416 23 PHE HE1 H 7.36 0.02 1 229 416 23 PHE C C 171.2 0.3 1 230 416 23 PHE CA C 52.3 0.3 1 231 416 23 PHE CB C 33.8 0.3 1 232 416 23 PHE CD2 C 124.3 0.3 1 233 416 23 PHE CE1 C 126.4 0.3 1 234 416 23 PHE N N 121.8 0.3 1 235 417 24 GLY H H 9.77 0.02 1 236 417 24 GLY HA2 H 3.89 0.02 2 237 417 24 GLY HA3 H 4.65 0.02 2 238 417 24 GLY C C 169.2 0.3 1 239 417 24 GLY CA C 37.8 0.3 1 240 417 24 GLY N N 113.2 0.3 1 241 418 25 ASP H H 8.66 0.02 1 242 418 25 ASP HA H 4.00 0.02 1 243 418 25 ASP HB2 H 2.78 0.02 2 244 418 25 ASP HB3 H 2.60 0.02 2 245 418 25 ASP C C 172.7 0.3 1 246 418 25 ASP CA C 52.5 0.3 1 247 418 25 ASP CB C 34.7 0.3 1 248 418 25 ASP N N 121.5 0.3 1 249 419 26 GLN H H 8.77 0.02 1 250 419 26 GLN HA H 3.97 0.02 1 251 419 26 GLN HB2 H 1.97 0.02 2 252 419 26 GLN HB3 H 2.05 0.02 2 253 419 26 GLN HE21 H 6.82 0.02 1 254 419 26 GLN HE22 H 7.53 0.02 1 255 419 26 GLN HG2 H 2.37 0.02 1 256 419 26 GLN C C 172.4 0.3 1 257 419 26 GLN CA C 52.9 0.3 1 258 419 26 GLN CB C 22.3 0.3 1 259 419 26 GLN CG C 28.1 0.3 1 260 419 26 GLN N N 116.1 0.3 1 261 419 26 GLN NE2 N 112.0 0.3 1 262 420 27 ASP H H 7.18 0.02 1 263 420 27 ASP HA H 4.09 0.02 1 264 420 27 ASP HB2 H 2.05 0.02 2 265 420 27 ASP HB3 H 2.08 0.02 2 266 420 27 ASP C C 172.9 0.3 1 267 420 27 ASP CA C 51.4 0.3 1 268 420 27 ASP CB C 34.6 0.3 1 269 420 27 ASP N N 117.5 0.3 1 270 421 28 ILE H H 7.58 0.02 1 271 421 28 ILE HA H 4.15 0.02 1 272 421 28 ILE HB H 1.74 0.02 1 273 421 28 ILE HD1 H 0.67 0.02 1 274 421 28 ILE HG12 H 1.52 0.02 2 275 421 28 ILE HG13 H 1.25 0.02 2 276 421 28 ILE HG2 H 0.89 0.02 1 277 421 28 ILE C C 171.3 0.3 1 278 421 28 ILE CA C 58.9 0.3 1 279 421 28 ILE CB C 32.2 0.3 1 280 421 28 ILE CD1 C 8.5 0.3 1 281 421 28 ILE CG1 C 23.4 0.3 1 282 421 28 ILE CG2 C 12.8 0.3 1 283 421 28 ILE N N 116.8 0.3 1 284 422 29 LEU H H 7.89 0.02 1 285 422 29 LEU HA H 3.84 0.02 1 286 422 29 LEU HB2 H 1.65 0.02 2 287 422 29 LEU HB3 H 1.84 0.02 2 288 422 29 LEU HD2 H 0.86 0.02 1 289 422 29 LEU HG H 1.51 0.02 1 290 422 29 LEU C C 172.7 0.3 1 291 422 29 LEU CA C 53.5 0.3 1 292 422 29 LEU CB C 36.1 0.3 1 293 422 29 LEU CD2 C 18.1 0.3 1 294 422 29 LEU CG C 21.5 0.3 1 295 422 29 LEU N N 123.1 0.3 1 296 423 30 GLN H H 7.82 0.02 1 297 423 30 GLN HA H 3.94 0.02 1 298 423 30 GLN HB3 H 2.11 0.02 1 299 423 30 GLN HE21 H 6.82 0.02 1 300 423 30 GLN HE22 H 7.78 0.02 1 301 423 30 GLN HG2 H 2.40 0.02 2 302 423 30 GLN HG3 H 2.49 0.02 2 303 423 30 GLN C C 172.7 0.3 1 304 423 30 GLN CA C 53.5 0.3 1 305 423 30 GLN CB C 22.8 0.3 1 306 423 30 GLN CG C 28.5 0.3 1 307 423 30 GLN N N 115.4 0.3 1 308 423 30 GLN NE2 N 111.9 0.3 1 309 424 31 MET H H 7.51 0.02 1 310 424 31 MET HA H 3.95 0.02 1 311 424 31 MET HB2 H 1.96 0.02 1 312 424 31 MET HG2 H 2.33 0.02 1 313 424 31 MET C C 170.4 0.3 1 314 424 31 MET CA C 52.6 0.3 1 315 424 31 MET CB C 29.2 0.3 1 316 424 31 MET CG C 26.6 0.3 1 317 424 31 MET N N 115.3 0.3 1 318 425 32 PHE H H 7.70 0.02 1 319 425 32 PHE HA H 4.78 0.02 1 320 425 32 PHE HB2 H 3.56 0.02 2 321 425 32 PHE HB3 H 2.70 0.02 2 322 425 32 PHE HD1 H 7.96 0.02 1 323 425 32 PHE HE1 H 6.95 0.02 1 324 425 32 PHE C C 172.2 0.3 1 325 425 32 PHE CA C 54.7 0.3 1 326 425 32 PHE CB C 33.0 0.3 1 327 425 32 PHE CD2 C 126.9 0.3 1 328 425 32 PHE CE1 C 125.2 0.3 1 329 425 32 PHE N N 112.4 0.3 1 330 426 33 MET H H 8.55 0.02 1 331 426 33 MET HA H 4.71 0.02 1 332 426 33 MET HB2 H 2.20 0.02 1 333 426 33 MET HE H 0.71 0.02 1 334 426 33 MET HG2 H 2.77 0.02 1 335 426 33 MET C C 168.6 0.3 1 336 426 33 MET CA C 54.0 0.3 1 337 426 33 MET CB C 26.3 0.3 1 338 426 33 MET CE C 16.9 0.3 1 339 426 33 MET CG C 26.5 0.3 1 340 426 33 MET N N 127.4 0.3 1 341 427 34 PRO HA H 4.08 0.02 1 342 427 34 PRO HB3 H 1.89 0.02 1 343 427 34 PRO HD2 H 2.87 0.02 1 344 427 34 PRO HG2 H 1.59 0.02 2 345 427 34 PRO HG3 H 1.63 0.02 2 346 427 34 PRO C C 171.6 0.3 1 347 427 34 PRO CA C 60.0 0.3 1 348 427 34 PRO CB C 25.4 0.3 1 349 427 34 PRO CD C 46.0 0.3 1 350 427 34 PRO CG C 22.4 0.3 1 351 428 35 PHE H H 6.61 0.02 1 352 428 35 PHE HA H 4.35 0.02 1 353 428 35 PHE HB2 H 3.40 0.02 2 354 428 35 PHE HB3 H 2.81 0.02 2 355 428 35 PHE HD1 H 7.27 0.02 1 356 428 35 PHE HE1 H 7.16 0.02 1 357 428 35 PHE C C 169.5 0.3 1 358 428 35 PHE CA C 52.6 0.3 1 359 428 35 PHE CB C 33.0 0.3 1 360 428 35 PHE CD2 C 125.6 0.3 1 361 428 35 PHE CE1 C 126.3 0.3 1 362 428 35 PHE N N 109.9 0.3 1 363 429 36 GLY H H 7.67 0.02 1 364 429 36 GLY HA2 H 4.19 0.02 2 365 429 36 GLY HA3 H 3.89 0.02 2 366 429 36 GLY C C 165.0 0.3 1 367 429 36 GLY CA C 39.3 0.3 1 368 429 36 GLY N N 105.6 0.3 1 369 430 37 ASN H H 9.05 0.02 1 370 430 37 ASN HA H 4.71 0.02 1 371 430 37 ASN HB2 H 2.81 0.02 1 372 430 37 ASN HD21 H 6.89 0.02 1 373 430 37 ASN HD22 H 7.93 0.02 1 374 430 37 ASN C C 168.1 0.3 1 375 430 37 ASN CA C 47.5 0.3 1 376 430 37 ASN CB C 32.0 0.3 1 377 430 37 ASN N N 117.4 0.3 1 378 430 37 ASN ND2 N 113.8 0.3 1 379 431 38 VAL H H 8.23 0.02 1 380 431 38 VAL HA H 3.83 0.02 1 381 431 38 VAL HB H 1.83 0.02 1 382 431 38 VAL HG1 H 0.71 0.02 1 383 431 38 VAL HG2 H 0.60 0.02 1 384 431 38 VAL C C 171.2 0.3 1 385 431 38 VAL CA C 56.7 0.3 1 386 431 38 VAL CB C 26.7 0.3 1 387 431 38 VAL CG2 C 17.3 0.3 1 388 431 38 VAL N N 127.6 0.3 1 389 432 39 ILE H H 8.84 0.02 1 390 432 39 ILE HA H 4.05 0.02 1 391 432 39 ILE HB H 1.74 0.02 1 392 432 39 ILE HD1 H 0.63 0.02 1 393 432 39 ILE HG13 H 1.23 0.02 1 394 432 39 ILE HG2 H 0.73 0.02 1 395 432 39 ILE C C 171.0 0.3 1 396 432 39 ILE CA C 56.8 0.3 1 397 432 39 ILE CB C 32.3 0.3 1 398 432 39 ILE CD1 C 7.4 0.3 1 399 432 39 ILE CG1 C 21.4 0.3 1 400 432 39 ILE CG2 C 11.9 0.3 1 401 432 39 ILE N N 127.5 0.3 1 402 433 40 SER H H 7.32 0.02 1 403 433 40 SER HA H 4.52 0.02 1 404 433 40 SER HB2 H 3.78 0.02 2 405 433 40 SER HB3 H 3.71 0.02 2 406 433 40 SER C C 165.9 0.3 1 407 433 40 SER CA C 52.2 0.3 1 408 433 40 SER CB C 60.0 0.3 1 409 433 40 SER N N 113.9 0.3 1 410 434 41 ALA H H 8.01 0.02 1 411 434 41 ALA HA H 4.97 0.02 1 412 434 41 ALA HB H 1.14 0.02 1 413 434 41 ALA C C 169.5 0.3 1 414 434 41 ALA CA C 45.9 0.3 1 415 434 41 ALA CB C 15.7 0.3 1 416 434 41 ALA N N 125.0 0.3 1 417 435 42 LYS H H 8.53 0.02 1 418 435 42 LYS HA H 4.54 0.02 1 419 435 42 LYS HB3 H 1.41 0.02 1 420 435 42 LYS HD2 H 1.39 0.02 1 421 435 42 LYS HE2 H 2.76 0.02 1 422 435 42 LYS HG2 H 1.00 0.02 2 423 435 42 LYS HG3 H 0.92 0.02 2 424 435 42 LYS C C 168.7 0.3 1 425 435 42 LYS CA C 48.6 0.3 1 426 435 42 LYS CB C 31.1 0.3 1 427 435 42 LYS CE C 36.3 0.3 1 428 435 42 LYS N N 120.8 0.3 1 429 436 43 VAL H H 8.37 0.02 1 430 436 43 VAL HA H 4.05 0.02 1 431 436 43 VAL HB H 1.84 0.02 1 432 436 43 VAL HG1 H 0.91 0.02 1 433 436 43 VAL HG2 H 0.76 0.02 1 434 436 43 VAL C C 170.0 0.3 1 435 436 43 VAL CA C 56.3 0.3 1 436 436 43 VAL CB C 27.9 0.3 1 437 436 43 VAL CG1 C 15.6 0.3 1 438 436 43 VAL CG2 C 16.8 0.3 1 439 436 43 VAL N N 122.0 0.3 1 440 437 44 PHE H H 8.29 0.02 1 441 437 44 PHE HA H 4.48 0.02 1 442 437 44 PHE HB2 H 2.05 0.02 2 443 437 44 PHE HB3 H 2.09 0.02 2 444 437 44 PHE HD1 H 6.71 0.02 1 445 437 44 PHE HE1 H 7.14 0.02 1 446 437 44 PHE C C 168.4 0.3 1 447 437 44 PHE CA C 53.2 0.3 1 448 437 44 PHE CB C 33.6 0.3 1 449 437 44 PHE CD2 C 126.6 0.3 1 450 437 44 PHE CE1 C 125.3 0.3 1 451 437 44 PHE N N 126.2 0.3 1 452 438 45 ILE H H 8.31 0.02 1 453 438 45 ILE HA H 4.54 0.02 1 454 438 45 ILE HB H 1.74 0.02 1 455 438 45 ILE HD1 H 0.73 0.02 1 456 438 45 ILE HG13 H 1.29 0.02 1 457 438 45 ILE HG2 H 0.73 0.02 1 458 438 45 ILE C C 170.6 0.3 1 459 438 45 ILE CA C 53.2 0.3 1 460 438 45 ILE CB C 34.7 0.3 1 461 438 45 ILE CD1 C 5.6 0.3 1 462 438 45 ILE CG1 C 21.3 0.3 1 463 438 45 ILE CG2 C 11.5 0.3 1 464 438 45 ILE N N 121.4 0.3 1 465 439 46 ASP H H 8.72 0.02 1 466 439 46 ASP HA H 4.66 0.02 1 467 439 46 ASP HB2 H 3.29 0.02 2 468 439 46 ASP HB3 H 2.50 0.02 2 469 439 46 ASP C C 171.2 0.3 1 470 439 46 ASP CA C 48.5 0.3 1 471 439 46 ASP CB C 37.1 0.3 1 472 439 46 ASP N N 126.3 0.3 1 473 440 47 LYS H H 8.88 0.02 1 474 440 47 LYS HA H 4.14 0.02 1 475 440 47 LYS HB3 H 1.93 0.02 1 476 440 47 LYS HD2 H 1.75 0.02 1 477 440 47 LYS HE2 H 3.05 0.02 1 478 440 47 LYS HG2 H 1.53 0.02 1 479 440 47 LYS C C 171.7 0.3 1 480 440 47 LYS CA C 52.6 0.3 1 481 440 47 LYS CB C 26.6 0.3 1 482 440 47 LYS CD C 23.4 0.3 1 483 440 47 LYS CE C 36.5 0.3 1 484 440 47 LYS CG C 19.4 0.3 1 485 440 47 LYS N N 127.2 0.3 1 486 441 48 GLN H H 8.68 0.02 1 487 441 48 GLN HA H 4.31 0.02 1 488 441 48 GLN HB2 H 2.22 0.02 2 489 441 48 GLN HB3 H 2.27 0.02 2 490 441 48 GLN HE21 H 6.88 0.02 1 491 441 48 GLN HE22 H 7.65 0.02 1 492 441 48 GLN HG2 H 2.39 0.02 2 493 441 48 GLN HG3 H 2.46 0.02 2 494 441 48 GLN C C 172.1 0.3 1 495 441 48 GLN CA C 52.4 0.3 1 496 441 48 GLN CB C 23.7 0.3 1 497 441 48 GLN CG C 28.9 0.3 1 498 441 48 GLN N N 117.2 0.3 1 499 441 48 GLN NE2 N 112.1 0.3 1 500 442 49 THR H H 7.83 0.02 1 501 442 49 THR HA H 4.34 0.02 1 502 442 49 THR HB H 4.34 0.02 1 503 442 49 THR HG2 H 1.18 0.02 1 504 442 49 THR C C 170.0 0.3 1 505 442 49 THR CA C 56.1 0.3 1 506 442 49 THR CB C 65.1 0.3 1 507 442 49 THR CG2 C 18.5 0.3 1 508 442 49 THR N N 107.2 0.3 1 509 443 50 ASN H H 8.50 0.02 1 510 443 50 ASN HA H 4.36 0.02 1 511 443 50 ASN HB2 H 3.12 0.02 2 512 443 50 ASN HB3 H 2.86 0.02 2 513 443 50 ASN HD21 H 6.76 0.02 1 514 443 50 ASN HD22 H 7.47 0.02 1 515 443 50 ASN C C 168.3 0.3 1 516 443 50 ASN CA C 49.5 0.3 1 517 443 50 ASN CB C 32.5 0.3 1 518 443 50 ASN N N 116.9 0.3 1 519 443 50 ASN ND2 N 112.1 0.3 1 520 444 51 LEU H H 7.66 0.02 1 521 444 51 LEU HA H 4.64 0.02 1 522 444 51 LEU HB2 H 1.46 0.02 2 523 444 51 LEU HB3 H 1.72 0.02 2 524 444 51 LEU HD2 H 0.90 0.02 1 525 444 51 LEU HG H 0.92 0.02 1 526 444 51 LEU C C 171.6 0.3 1 527 444 51 LEU CA C 48.1 0.3 1 528 444 51 LEU CB C 38.4 0.3 1 529 444 51 LEU CD2 C 17.4 0.3 1 530 444 51 LEU CG C 19.4 0.3 1 531 444 51 LEU N N 117.8 0.3 1 532 445 52 SER H H 8.73 0.02 1 533 445 52 SER HA H 4.54 0.02 1 534 445 52 SER HB2 H 4.02 0.02 2 535 445 52 SER HB3 H 4.16 0.02 2 536 445 52 SER C C 171.4 0.3 1 537 445 52 SER CA C 52.7 0.3 1 538 445 52 SER CB C 58.3 0.3 1 539 445 52 SER N N 115.1 0.3 1 540 446 53 LYS H H 9.21 0.02 1 541 446 53 LYS HA H 4.58 0.02 1 542 446 53 LYS HB2 H 1.67 0.02 2 543 446 53 LYS HB3 H 1.70 0.02 2 544 446 53 LYS C C 170.9 0.3 1 545 446 53 LYS CA C 51.1 0.3 1 546 446 53 LYS CB C 27.1 0.3 1 547 446 53 LYS N N 125.1 0.3 1 548 447 54 CYS H H 10.12 0.02 1 549 447 54 CYS HB2 H 3.53 0.02 1 550 447 54 CYS C C 167.4 0.3 1 551 447 54 CYS CA C 55.3 0.3 1 552 447 54 CYS CB C 19.6 0.3 1 553 447 54 CYS N N 113.0 0.3 1 554 448 55 PHE H H 7.76 0.02 1 555 448 55 PHE HA H 5.43 0.02 1 556 448 55 PHE HB3 H 3.28 0.02 1 557 448 55 PHE HD1 H 7.04 0.02 1 558 448 55 PHE HE1 H 6.95 0.02 1 559 448 55 PHE C C 167.2 0.3 1 560 448 55 PHE CA C 49.7 0.3 1 561 448 55 PHE CB C 37.0 0.3 1 562 448 55 PHE CD2 C 127.1 0.3 1 563 448 55 PHE CE1 C 125.9 0.3 1 564 448 55 PHE N N 115.1 0.3 1 565 449 56 GLY H H 9.31 0.02 1 566 449 56 GLY HA2 H 4.53 0.02 2 567 449 56 GLY HA3 H 3.67 0.02 2 568 449 56 GLY C C 165.0 0.3 1 569 449 56 GLY CA C 40.1 0.3 1 570 449 56 GLY N N 107.8 0.3 1 571 450 57 PHE H H 8.76 0.02 1 572 450 57 PHE HA H 5.51 0.02 1 573 450 57 PHE HB2 H 3.00 0.02 2 574 450 57 PHE HB3 H 2.61 0.02 2 575 450 57 PHE HD1 H 6.71 0.02 1 576 450 57 PHE HE1 H 7.13 0.02 1 577 450 57 PHE C C 167.7 0.3 1 578 450 57 PHE CA C 49.9 0.3 1 579 450 57 PHE CB C 38.5 0.3 1 580 450 57 PHE CD2 C 126.5 0.3 1 581 450 57 PHE CE1 C 125.2 0.3 1 582 450 57 PHE N N 119.8 0.3 1 583 451 58 VAL H H 7.93 0.02 1 584 451 58 VAL HA H 4.34 0.02 1 585 451 58 VAL HB H 1.04 0.02 1 586 451 58 VAL HG1 H 0.18 0.02 1 587 451 58 VAL HG2 H 0.19 0.02 1 588 451 58 VAL C C 167.2 0.3 1 589 451 58 VAL CA C 54.6 0.3 1 590 451 58 VAL CB C 31.0 0.3 1 591 451 58 VAL CG1 C 15.4 0.3 1 592 451 58 VAL CG2 C 16.3 0.3 1 593 451 58 VAL N N 123.6 0.3 1 594 452 59 SER H H 8.52 0.02 1 595 452 59 SER HA H 5.20 0.02 1 596 452 59 SER HB2 H 3.68 0.02 2 597 452 59 SER HB3 H 3.95 0.02 2 598 452 59 SER C C 168.1 0.3 1 599 452 59 SER CA C 50.4 0.3 1 600 452 59 SER CB C 61.0 0.3 1 601 452 59 SER N N 119.4 0.3 1 602 453 60 TYR H H 8.42 0.02 1 603 453 60 TYR HA H 5.46 0.02 1 604 453 60 TYR HB2 H 3.41 0.02 2 605 453 60 TYR HB3 H 2.84 0.02 2 606 453 60 TYR HD1 H 6.78 0.02 1 607 453 60 TYR HE1 H 6.52 0.02 1 608 453 60 TYR C C 168.5 0.3 1 609 453 60 TYR CA C 51.3 0.3 1 610 453 60 TYR CB C 37.3 0.3 1 611 453 60 TYR CD2 C 126.7 0.3 1 612 453 60 TYR CE1 C 112.6 0.3 1 613 453 60 TYR N N 121.1 0.3 1 614 454 61 ASP H H 7.82 0.02 1 615 454 61 ASP HA H 4.57 0.02 1 616 454 61 ASP HB2 H 2.52 0.02 2 617 454 61 ASP HB3 H 3.25 0.02 2 618 454 61 ASP C C 171.0 0.3 1 619 454 61 ASP CA C 47.7 0.3 1 620 454 61 ASP CB C 35.3 0.3 1 621 454 61 ASP N N 113.0 0.3 1 622 455 62 ASN H H 7.20 0.02 1 623 455 62 ASN HA H 5.14 0.02 1 624 455 62 ASN HB2 H 2.96 0.02 2 625 455 62 ASN HB3 H 2.89 0.02 2 626 455 62 ASN HD21 H 7.26 0.02 1 627 455 62 ASN HD22 H 7.98 0.02 1 628 455 62 ASN C C 168.0 0.3 1 629 455 62 ASN CA C 45.5 0.3 1 630 455 62 ASN CB C 36.0 0.3 1 631 455 62 ASN N N 114.1 0.3 1 632 455 62 ASN ND2 N 114.6 0.3 1 633 456 63 PRO HA H 4.25 0.02 1 634 456 63 PRO HB2 H 2.12 0.02 2 635 456 63 PRO HB3 H 2.29 0.02 2 636 456 63 PRO HD2 H 3.60 0.02 2 637 456 63 PRO HD3 H 4.08 0.02 2 638 456 63 PRO HG2 H 2.29 0.02 1 639 456 63 PRO C C 172.2 0.3 1 640 456 63 PRO CA C 59.1 0.3 1 641 456 63 PRO CB C 27.2 0.3 1 642 456 63 PRO CD C 45.1 0.3 1 643 456 63 PRO CG C 21.8 0.3 1 644 457 64 VAL H H 8.13 0.02 1 645 457 64 VAL HA H 3.70 0.02 1 646 457 64 VAL HB H 2.09 0.02 1 647 457 64 VAL HG2 H 1.05 0.02 1 648 457 64 VAL C C 173.9 0.3 1 649 457 64 VAL CA C 60.8 0.3 1 650 457 64 VAL CB C 25.7 0.3 1 651 457 64 VAL CG2 C 16.7 0.3 1 652 457 64 VAL N N 120.7 0.3 1 653 458 65 SER H H 7.80 0.02 1 654 458 65 SER HA H 4.01 0.02 1 655 458 65 SER HB2 H 2.88 0.02 2 656 458 65 SER HB3 H 3.25 0.02 2 657 458 65 SER C C 168.5 0.3 1 658 458 65 SER CA C 55.9 0.3 1 659 458 65 SER CB C 57.2 0.3 1 660 458 65 SER N N 117.7 0.3 1 661 459 66 ALA H H 6.39 0.02 1 662 459 66 ALA HA H 3.81 0.02 1 663 459 66 ALA HB H 1.55 0.02 1 664 459 66 ALA C C 173.0 0.3 1 665 459 66 ALA CA C 49.3 0.3 1 666 459 66 ALA CB C 12.7 0.3 1 667 459 66 ALA N N 120.1 0.3 1 668 460 67 GLN H H 7.75 0.02 1 669 460 67 GLN HA H 3.91 0.02 1 670 460 67 GLN HB3 H 2.18 0.02 1 671 460 67 GLN HE21 H 6.92 0.02 1 672 460 67 GLN HE22 H 7.65 0.02 1 673 460 67 GLN HG2 H 2.51 0.02 1 674 460 67 GLN C C 172.9 0.3 1 675 460 67 GLN CA C 53.1 0.3 1 676 460 67 GLN CB C 22.3 0.3 1 677 460 67 GLN CG C 27.8 0.3 1 678 460 67 GLN N N 115.9 0.3 1 679 460 67 GLN NE2 N 111.7 0.3 1 680 461 68 ALA H H 7.84 0.02 1 681 461 68 ALA HA H 4.03 0.02 1 682 461 68 ALA HB H 1.60 0.02 1 683 461 68 ALA C C 174.4 0.3 1 684 461 68 ALA CA C 49.3 0.3 1 685 461 68 ALA CB C 12.4 0.3 1 686 461 68 ALA N N 122.8 0.3 1 687 462 69 ALA H H 7.86 0.02 1 688 462 69 ALA HA H 4.0 0.02 1 689 462 69 ALA HB H 1.47 0.02 1 690 462 69 ALA C C 174.3 0.3 1 691 462 69 ALA CA C 49.0 0.3 1 692 462 69 ALA CB C 13.5 0.3 1 693 462 69 ALA N N 121.5 0.3 1 694 463 70 ILE H H 8.11 0.02 1 695 463 70 ILE HA H 3.32 0.02 1 696 463 70 ILE HB H 1.82 0.02 1 697 463 70 ILE HD1 H 0.82 0.02 1 698 463 70 ILE HG13 H 0.72 0.02 1 699 463 70 ILE HG2 H 0.96 0.02 1 700 463 70 ILE C C 172.3 0.3 1 701 463 70 ILE CA C 60.8 0.3 1 702 463 70 ILE CB C 32.9 0.3 1 703 463 70 ILE CD1 C 8.5 0.3 1 704 463 70 ILE CG1 C 24.7 0.3 1 705 463 70 ILE CG2 C 11.9 0.3 1 706 463 70 ILE N N 118.5 0.3 1 707 464 71 GLN H H 7.75 0.02 1 708 464 71 GLN HA H 3.95 0.02 1 709 464 71 GLN HB3 H 2.11 0.02 1 710 464 71 GLN HE21 H 6.88 0.02 1 711 464 71 GLN HE22 H 7.48 0.02 1 712 464 71 GLN HG2 H 2.51 0.02 1 713 464 71 GLN C C 172.6 0.3 1 714 464 71 GLN CA C 53.1 0.3 1 715 464 71 GLN CB C 22.8 0.3 1 716 464 71 GLN CG C 27.9 0.3 1 717 464 71 GLN N N 116.8 0.3 1 718 464 71 GLN NE2 N 111.9 0.3 1 719 465 72 ALA H H 7.52 0.02 1 720 465 72 ALA HA H 4.29 0.02 1 721 465 72 ALA HB H 1.27 0.02 1 722 465 72 ALA C C 174.1 0.3 1 723 465 72 ALA CA C 48.6 0.3 1 724 465 72 ALA CB C 15.9 0.3 1 725 465 72 ALA N N 117.2 0.3 1 726 466 73 MET H H 8.27 0.02 1 727 466 73 MET HA H 4.91 0.02 1 728 466 73 MET HB2 H 1.89 0.02 1 729 466 73 MET HG2 H 2.10 0.02 1 730 466 73 MET C C 172.4 0.3 1 731 466 73 MET CA C 48.3 0.3 1 732 466 73 MET CB C 26.5 0.3 1 733 466 73 MET CG C 26.5 0.3 1 734 466 73 MET N N 111.1 0.3 1 735 467 74 ASN H H 8.51 0.02 1 736 467 74 ASN HA H 4.57 0.02 1 737 467 74 ASN HB2 H 3.14 0.02 2 738 467 74 ASN HB3 H 3.01 0.02 2 739 467 74 ASN HD21 H 7.07 0.02 1 740 467 74 ASN HD22 H 7.89 0.02 1 741 467 74 ASN C C 171.2 0.3 1 742 467 74 ASN CA C 51.0 0.3 1 743 467 74 ASN CB C 33.1 0.3 1 744 467 74 ASN N N 118.9 0.3 1 745 467 74 ASN ND2 N 114.5 0.3 1 746 468 75 GLY H H 9.00 0.02 1 747 468 75 GLY HA2 H 4.41 0.02 2 748 468 75 GLY HA3 H 3.68 0.02 2 749 468 75 GLY C C 167.7 0.3 1 750 468 75 GLY CA C 40.1 0.3 1 751 468 75 GLY N N 118.1 0.3 1 752 469 76 PHE H H 7.97 0.02 1 753 469 76 PHE HA H 4.28 0.02 1 754 469 76 PHE HB2 H 3.03 0.02 2 755 469 76 PHE HB3 H 3.38 0.02 2 756 469 76 PHE HD1 H 7.16 0.02 1 757 469 76 PHE HE1 H 7.34 0.02 1 758 469 76 PHE C C 169.3 0.3 1 759 469 76 PHE CA C 53.7 0.3 1 760 469 76 PHE CB C 35.5 0.3 1 761 469 76 PHE CD2 C 126.5 0.3 1 762 469 76 PHE CE1 C 125.7 0.3 1 763 469 76 PHE N N 123.3 0.3 1 764 470 77 GLN H H 8.04 0.02 1 765 470 77 GLN HA H 4.67 0.02 1 766 470 77 GLN HB2 H 2.17 0.02 2 767 470 77 GLN HB3 H 2.07 0.02 2 768 470 77 GLN HE21 H 6.70 0.02 1 769 470 77 GLN HE22 H 7.33 0.02 1 770 470 77 GLN HG2 H 2.12 0.02 1 771 470 77 GLN C C 169.0 0.3 1 772 470 77 GLN CA C 50.4 0.3 1 773 470 77 GLN CB C 23.5 0.3 1 774 470 77 GLN CG C 27.9 0.3 1 775 470 77 GLN N N 128.5 0.3 1 776 470 77 GLN NE2 N 111.5 0.3 1 777 471 78 ILE H H 8.53 0.02 1 778 471 78 ILE HA H 4.23 0.02 1 779 471 78 ILE HB H 1.75 0.02 1 780 471 78 ILE HD1 H 0.98 0.02 1 781 471 78 ILE HG13 H 1.13 0.02 1 782 471 78 ILE HG2 H 0.91 0.02 1 783 471 78 ILE C C 170.2 0.3 1 784 471 78 ILE CA C 54.5 0.3 1 785 471 78 ILE CB C 34.1 0.3 1 786 471 78 ILE CD1 C 9.2 0.3 1 787 471 78 ILE CG1 C 22.1 0.3 1 788 471 78 ILE CG2 C 11.6 0.3 1 789 471 78 ILE N N 126.3 0.3 1 790 472 79 GLY H H 8.96 0.02 1 791 472 79 GLY HA2 H 3.95 0.02 2 792 472 79 GLY HA3 H 3.67 0.02 2 793 472 79 GLY C C 169.6 0.3 1 794 472 79 GLY CA C 41.4 0.3 1 795 472 79 GLY N N 117.5 0.3 1 796 473 80 MET H H 8.95 0.02 1 797 473 80 MET HA H 4.46 0.02 1 798 473 80 MET HB2 H 2.02 0.02 2 799 473 80 MET HB3 H 2.30 0.02 2 800 473 80 MET HG2 H 2.54 0.02 2 801 473 80 MET HG3 H 2.67 0.02 2 802 473 80 MET C C 170.6 0.3 1 803 473 80 MET CA C 49.9 0.3 1 804 473 80 MET CB C 26.6 0.3 1 805 473 80 MET CG C 26.7 0.3 1 806 473 80 MET N N 123.3 0.3 1 807 474 81 LYS H H 7.91 0.02 1 808 474 81 LYS HA H 4.56 0.02 1 809 474 81 LYS HB2 H 1.90 0.02 2 810 474 81 LYS HB3 H 1.95 0.02 2 811 474 81 LYS HD2 H 1.45 0.02 1 812 474 81 LYS HE2 H 2.89 0.02 1 813 474 81 LYS HG2 H 1.31 0.02 2 814 474 81 LYS HG3 H 1.36 0.02 2 815 474 81 LYS C C 169.2 0.3 1 816 474 81 LYS CA C 49.5 0.3 1 817 474 81 LYS CB C 29.4 0.3 1 818 474 81 LYS CD C 23.4 0.3 1 819 474 81 LYS CE C 36.8 0.3 1 820 474 81 LYS CG C 19.7 0.3 1 821 474 81 LYS N N 119.6 0.3 1 822 475 82 ARG H H 8.21 0.02 1 823 475 82 ARG HA H 4.88 0.02 1 824 475 82 ARG HB3 H 1.63 0.02 1 825 475 82 ARG HD2 H 3.14 0.02 2 826 475 82 ARG HD3 H 3.19 0.02 2 827 475 82 ARG HG2 H 1.31 0.02 1 828 475 82 ARG C C 170.5 0.3 1 829 475 82 ARG CA C 48.9 0.3 1 830 475 82 ARG CB C 26.2 0.3 1 831 475 82 ARG CD C 37.9 0.3 1 832 475 82 ARG CG C 22.3 0.3 1 833 475 82 ARG N N 119.7 0.3 1 834 476 83 LEU H H 9.12 0.02 1 835 476 83 LEU HA H 4.51 0.02 1 836 476 83 LEU HB2 H 1.48 0.02 1 837 476 83 LEU HD2 H 0.84 0.02 1 838 476 83 LEU HG H 1.01 0.02 1 839 476 83 LEU C C 172.5 0.3 1 840 476 83 LEU CA C 50.4 0.3 1 841 476 83 LEU CB C 37.7 0.3 1 842 476 83 LEU CD2 C 18.2 0.3 1 843 476 83 LEU CG C 20.4 0.3 1 844 476 83 LEU N N 123.0 0.3 1 845 477 84 LYS H H 8.08 0.02 1 846 477 84 LYS HA H 5.20 0.02 1 847 477 84 LYS HB3 H 1.68 0.02 1 848 477 84 LYS HD2 H 1.59 0.02 1 849 477 84 LYS HE2 H 2.83 0.02 1 850 477 84 LYS HG2 H 1.28 0.02 1 851 477 84 LYS C C 168.9 0.3 1 852 477 84 LYS CA C 49.2 0.3 1 853 477 84 LYS CB C 29.4 0.3 1 854 477 84 LYS CD C 23.6 0.3 1 855 477 84 LYS CE C 36.5 0.3 1 856 477 84 LYS CG C 19.4 0.3 1 857 477 84 LYS N N 123.6 0.3 1 858 478 85 VAL H H 8.77 0.02 1 859 478 85 VAL HA H 4.98 0.02 1 860 478 85 VAL HB H 1.90 0.02 1 861 478 85 VAL HG1 H 1.05 0.02 1 862 478 85 VAL HG2 H 0.93 0.02 1 863 478 85 VAL C C 168.6 0.3 1 864 478 85 VAL CA C 55.6 0.3 1 865 478 85 VAL CB C 28.6 0.3 1 866 478 85 VAL CG1 C 16.2 0.3 1 867 478 85 VAL CG2 C 18.1 0.3 1 868 478 85 VAL N N 126.7 0.3 1 869 479 86 GLN H H 9.12 0.02 1 870 479 86 GLN HA H 4.88 0.02 1 871 479 86 GLN HB3 H 2.40 0.02 1 872 479 86 GLN HE21 H 7.02 0.02 1 873 479 86 GLN HE22 H 7.64 0.02 1 874 479 86 GLN HG2 H 2.51 0.02 1 875 479 86 GLN C C 168.5 0.3 1 876 479 86 GLN CA C 48.1 0.3 1 877 479 86 GLN CB C 28.4 0.3 1 878 479 86 GLN CG C 28.4 0.3 1 879 479 86 GLN N N 123.3 0.3 1 880 479 86 GLN NE2 N 112.8 0.3 1 881 480 87 LEU H H 8.76 0.02 1 882 480 87 LEU HA H 4.52 0.02 1 883 480 87 LEU HB2 H 1.61 0.02 1 884 480 87 LEU HD2 H 0.86 0.02 1 885 480 87 LEU HG H 0.95 0.02 1 886 480 87 LEU C C 171.9 0.3 1 887 480 87 LEU CA C 50.1 0.3 1 888 480 87 LEU CB C 37.3 0.3 1 889 480 87 LEU CD2 C 18.6 0.3 1 890 480 87 LEU CG C 19.7 0.3 1 891 480 87 LEU N N 122.8 0.3 1 892 481 88 LYS H H 8.38 0.02 1 893 481 88 LYS HA H 4.39 0.02 1 894 481 88 LYS HB2 H 1.34 0.02 2 895 481 88 LYS HB3 H 1.65 0.02 2 896 481 88 LYS HD2 H 1.44 0.02 2 897 481 88 LYS HD3 H 1.48 0.02 2 898 481 88 LYS HE2 H 2.85 0.02 1 899 481 88 LYS HG2 H 1.35 0.02 1 900 481 88 LYS C C 170.1 0.3 1 901 481 88 LYS CA C 50.7 0.3 1 902 481 88 LYS CB C 28.0 0.3 1 903 481 88 LYS CD C 24.4 0.3 1 904 481 88 LYS CE C 36.4 0.3 1 905 481 88 LYS CG C 19.4 0.3 1 906 481 88 LYS N N 124.0 0.3 1 907 482 89 ARG H H 8.70 0.02 1 908 482 89 ARG HA H 4.43 0.02 1 909 482 89 ARG HB2 H 1.71 0.02 2 910 482 89 ARG HB3 H 1.85 0.02 2 911 482 89 ARG HD2 H 3.16 0.02 1 912 482 89 ARG HG2 H 1.60 0.02 1 913 482 89 ARG C C 170.6 0.3 1 914 482 89 ARG CA C 50.5 0.3 1 915 482 89 ARG CB C 26.0 0.3 1 916 482 89 ARG CD C 37.8 0.3 1 917 482 89 ARG CG C 21.4 0.3 1 918 482 89 ARG N N 126.7 0.3 1 919 483 90 SER H H 8.63 0.02 1 920 483 90 SER HA H 4.48 0.02 1 921 483 90 SER HB2 H 3.84 0.02 1 922 483 90 SER C C 169.1 0.3 1 923 483 90 SER CA C 52.8 0.3 1 924 483 90 SER CB C 58.4 0.3 1 925 483 90 SER N N 118.2 0.3 1 926 484 91 LYS H H 8.52 0.02 1 927 484 91 LYS HA H 4.29 0.02 1 928 484 91 LYS HB2 H 1.77 0.02 2 929 484 91 LYS HB3 H 1.83 0.02 2 930 484 91 LYS HE2 H 2.96 0.02 1 931 484 91 LYS HG2 H 1.40 0.02 1 932 484 91 LYS C C 170.8 0.3 1 933 484 91 LYS CA C 51.2 0.3 1 934 484 91 LYS CB C 27.4 0.3 1 935 484 91 LYS CD C 23.5 0.3 1 936 484 91 LYS CE C 36.5 0.3 1 937 484 91 LYS CG C 19.0 0.3 1 938 484 91 LYS N N 123.0 0.3 1 939 485 92 ASN H H 8.47 0.02 1 940 485 92 ASN HA H 4.68 0.02 1 941 485 92 ASN HB2 H 2.84 0.02 2 942 485 92 ASN HB3 H 2.70 0.02 2 943 485 92 ASN HD21 H 6.92 0.02 1 944 485 92 ASN HD22 H 7.62 0.02 1 945 485 92 ASN C C 169.3 0.3 1 946 485 92 ASN CA C 47.8 0.3 1 947 485 92 ASN CB C 33.3 0.3 1 948 485 92 ASN N N 119.2 0.3 1 949 485 92 ASN ND2 N 112.9 0.3 1 950 486 93 ASP H H 8.17 0.02 1 951 486 93 ASP HA H 4.60 0.02 1 952 486 93 ASP HB2 H 2.65 0.02 2 953 486 93 ASP HB3 H 2.68 0.02 2 954 486 93 ASP C C 170.5 0.3 1 955 486 93 ASP CA C 48.9 0.3 1 956 486 93 ASP CB C 35.6 0.3 1 957 486 93 ASP N N 120.8 0.3 1 958 487 94 SER H H 8.08 0.02 1 959 487 94 SER HA H 4.39 0.02 1 960 487 94 SER HB2 H 3.79 0.02 1 961 487 94 SER C C 167.7 0.3 1 962 487 94 SER CA C 52.6 0.3 1 963 487 94 SER CB C 58.4 0.3 1 964 487 94 SER N N 115.5 0.3 1 965 488 95 LYS H H 7.94 0.02 1 966 488 95 LYS HA H 4.13 0.02 1 967 488 95 LYS HB3 H 1.61 0.02 1 968 488 95 LYS C C 169.4 0.3 1 969 488 95 LYS CA C 48.9 0.3 1 970 488 95 LYS CB C 27.3 0.3 1 971 488 95 LYS N N 121.8 0.3 1 972 489 96 PRO HA H 4.36 0.02 1 973 489 96 PRO HB3 H 2.08 0.02 1 974 489 96 PRO HD2 H 3.52 0.02 2 975 489 96 PRO HD3 H 3.67 0.02 2 976 489 96 PRO HG2 H 1.84 0.02 2 977 489 96 PRO HG3 H 1.88 0.02 2 978 489 96 PRO C C 169.9 0.3 1 979 489 96 PRO CA C 57.8 0.3 1 980 489 96 PRO CB C 26.0 0.3 1 981 489 96 PRO CD C 44.8 0.3 1 982 489 96 PRO CG C 21.4 0.3 1 983 490 97 TYR H H 7.43 0.02 1 984 490 97 TYR HA H 4.34 0.02 1 985 490 97 TYR HB2 H 2.92 0.02 2 986 490 97 TYR HB3 H 3.00 0.02 2 987 490 97 TYR HD1 H 8.16 0.02 1 988 490 97 TYR HE1 H 6.80 0.02 1 989 490 97 TYR C C 174.5 0.3 1 990 490 97 TYR CA C 53.2 0.3 1 991 490 97 TYR CB C 33.6 0.3 1 992 490 97 TYR CD2 C 131.9 0.3 1 993 490 97 TYR CE1 C 112.5 0.3 1 994 490 97 TYR N N 123.6 0.3 1 stop_ save_