data_25188 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the YTH Domain of YT521-B in complex with N6-Methyladenosine containing RNA ; _BMRB_accession_number 25188 _BMRB_flat_file_name bmr25188.str _Entry_type original _Submission_date 2014-09-01 _Accession_date 2014-09-01 _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 Theler Dominik . . 2 Dominguez Cyril . . 3 Blatter Markus . . 4 Boudet Julien . . 5 Allain Frederic H.-T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 966 "13C chemical shifts" 683 "15N chemical shifts" 155 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-10-01 update BMRB 'update entry citation' 2014-11-17 original author 'original release' stop_ _Original_release_date 2015-10-01 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the YTH domain in complex with N6-methyladenosine RNA: a reader of methylated RNA ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25389274 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Theler Dominik . . 2 Dominguez Cyril . . 3 Blatter Markus . . 4 Boudet Julien . . 5 Allain Frederic H.-T. . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_volume 42 _Journal_issue 22 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 13911 _Page_last 13919 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'YTH Domain of YT521-B in complex with N6-Methyladenosine containing RNA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 "RNA (5'-R(*UP*GP*(6MA)P*CP*AP*C)-3')" $RNA_(5'-R(*UP*GP*(6MA)P*CP*AP*C)-3') stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 17508.334 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 156 _Mol_residue_sequence ; QTSKLKSVLQDARFFLIKSN NHENVSLAKAKGVWSTLPVN EKKLNLAFRSARSVILIFSV RESGKFQGFARLSSESHHGG SPIHWVLPAGMSAKMLGGVF KIDWICRRELPFTKSAHLTN PWNEHKPVKIGRDGQEIELE CGTQLCLLFPPDESID ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 347 GLN 2 348 THR 3 349 SER 4 350 LYS 5 351 LEU 6 352 LYS 7 353 SER 8 354 VAL 9 355 LEU 10 356 GLN 11 357 ASP 12 358 ALA 13 359 ARG 14 360 PHE 15 361 PHE 16 362 LEU 17 363 ILE 18 364 LYS 19 365 SER 20 366 ASN 21 367 ASN 22 368 HIS 23 369 GLU 24 370 ASN 25 371 VAL 26 372 SER 27 373 LEU 28 374 ALA 29 375 LYS 30 376 ALA 31 377 LYS 32 378 GLY 33 379 VAL 34 380 TRP 35 381 SER 36 382 THR 37 383 LEU 38 384 PRO 39 385 VAL 40 386 ASN 41 387 GLU 42 388 LYS 43 389 LYS 44 390 LEU 45 391 ASN 46 392 LEU 47 393 ALA 48 394 PHE 49 395 ARG 50 396 SER 51 397 ALA 52 398 ARG 53 399 SER 54 400 VAL 55 401 ILE 56 402 LEU 57 403 ILE 58 404 PHE 59 405 SER 60 406 VAL 61 407 ARG 62 408 GLU 63 409 SER 64 410 GLY 65 411 LYS 66 412 PHE 67 413 GLN 68 414 GLY 69 415 PHE 70 416 ALA 71 417 ARG 72 418 LEU 73 419 SER 74 420 SER 75 421 GLU 76 422 SER 77 423 HIS 78 424 HIS 79 425 GLY 80 426 GLY 81 427 SER 82 428 PRO 83 429 ILE 84 430 HIS 85 431 TRP 86 432 VAL 87 433 LEU 88 434 PRO 89 435 ALA 90 436 GLY 91 437 MET 92 438 SER 93 439 ALA 94 440 LYS 95 441 MET 96 442 LEU 97 443 GLY 98 444 GLY 99 445 VAL 100 446 PHE 101 447 LYS 102 448 ILE 103 449 ASP 104 450 TRP 105 451 ILE 106 452 CYS 107 453 ARG 108 454 ARG 109 455 GLU 110 456 LEU 111 457 PRO 112 458 PHE 113 459 THR 114 460 LYS 115 461 SER 116 462 ALA 117 463 HIS 118 464 LEU 119 465 THR 120 466 ASN 121 467 PRO 122 468 TRP 123 469 ASN 124 470 GLU 125 471 HIS 126 472 LYS 127 473 PRO 128 474 VAL 129 475 LYS 130 476 ILE 131 477 GLY 132 478 ARG 133 479 ASP 134 480 GLY 135 481 GLN 136 482 GLU 137 483 ILE 138 484 GLU 139 485 LEU 140 486 GLU 141 487 CYS 142 488 GLY 143 489 THR 144 490 GLN 145 491 LEU 146 492 CYS 147 493 LEU 148 494 LEU 149 495 PHE 150 496 PRO 151 497 PRO 152 498 ASP 153 499 GLU 154 500 SER 155 501 ILE 156 502 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2MTV "Solution Structure Of The Yth Domain Of Yt521-b In Complex With N6- Methyladenosine Containing Rna" 100.00 156 100.00 100.00 1.91e-109 PDB 2YUD "Solution Structure Of The Yth Domain In Yth Domain- Containing Protein 1 (Putative Splicing Factor Yt521)" 100.00 180 99.36 99.36 4.20e-109 PDB 4R3H "The Crystal Structure Of An Apo Rna Binding Protein" 99.36 166 99.35 99.35 5.67e-108 PDB 4R3I "The Crystal Structure Of An Rna Complex" 99.36 166 99.35 99.35 5.67e-108 DBJ BAA23885 "RNA splicing-related protein [Rattus norvegicus]" 100.00 712 100.00 100.00 4.45e-103 DBJ BAB71181 "unnamed protein product [Homo sapiens]" 100.00 658 99.36 99.36 1.03e-102 DBJ BAB85552 "KIAA1966 protein [Homo sapiens]" 100.00 480 99.36 99.36 2.94e-105 DBJ BAD32590 "mKIAA1966 protein [Mus musculus]" 100.00 507 99.36 99.36 5.65e-105 DBJ BAG10510 "YTH domain-containing protein 1 [synthetic construct]" 100.00 727 99.36 99.36 6.79e-102 EMBL CAH91339 "hypothetical protein [Pongo abelii]" 100.00 482 99.36 99.36 7.46e-110 GB AAD55973 "putative splicing factor YT521-B [Rattus norvegicus]" 100.00 738 100.00 100.00 1.30e-102 GB AAH22697 "Ythdc1 protein, partial [Mus musculus]" 78.21 350 100.00 100.00 9.92e-83 GB AAH41119 "YTH domain containing 1 [Homo sapiens]" 100.00 727 99.36 99.36 6.79e-102 GB AAH53863 "YTH domain containing 1 [Homo sapiens]" 100.00 709 99.36 99.36 1.87e-102 GB AAI02815 "YTHDC1 protein [Bos taurus]" 89.74 376 99.29 100.00 4.31e-96 REF NP_001026902 "YTH domain-containing protein 1 isoform 1 [Homo sapiens]" 100.00 727 99.36 99.36 6.79e-102 REF NP_001039985 "YTH domain-containing protein 1 [Bos taurus]" 100.00 717 98.72 99.36 1.06e-101 REF NP_001125792 "YTH domain-containing protein 1 [Pongo abelii]" 100.00 482 99.36 99.36 7.46e-110 REF NP_588611 "YTH domain-containing protein 1 isoform 2 [Homo sapiens]" 100.00 709 99.36 99.36 1.87e-102 REF NP_596914 "YTH domain-containing protein 1 [Rattus norvegicus]" 100.00 738 100.00 100.00 1.30e-102 SP E9Q5K9 "RecName: Full=YTH domain-containing protein 1" 100.00 736 99.36 99.36 3.58e-102 SP Q96MU7 "RecName: Full=YTH domain-containing protein 1; AltName: Full=Putative splicing factor YT521; Short=YT521-B" 100.00 727 99.36 99.36 6.79e-102 SP Q9QY02 "RecName: Full=YTH domain-containing protein 1; AltName: Full=Putative splicing factor YT521; AltName: Full=RA301-binding protei" 100.00 738 99.36 99.36 8.67e-102 TPG DAA28607 "TPA: splicing factor YT521-B [Bos taurus]" 100.00 718 98.72 99.36 1.12e-101 stop_ save_ save_RNA_(5'-R(*UP*GP*(6MA)P*CP*AP*C)-3') _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA_(5'-R(*UP*GP*(6MA)P*CP*AP*C)-3') _Molecular_mass 1873.230 _Mol_thiol_state 'not present' _Details . _Residue_count 6 _Mol_residue_sequence ; UGXCAC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 157 U 2 158 G 3 159 6MZ 4 160 C 5 161 A 6 162 C stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_6MZ _Saveframe_category polymer_residue _Mol_type 'RNA LINKING' _Name_common N6-METHYLADENOSINE-5'-MONOPHOSPHATE _BMRB_code 6MZ _PDB_code 6MZ _Standard_residue_derivative . _Molecular_mass 361.248 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C2 C2 C . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? O1P O1P O . 0 . ? O2P O2P O . 0 . ? N9 N9 N . 0 . ? N3 N3 N . 0 . ? N1 N1 N . 0 . ? C6 C6 C . 0 . ? N6 N6 N . 0 . ? C9 C9 C . 0 . ? N7 N7 N . 0 . ? C8 C8 C . 0 . ? O5' O5' O . 0 . ? C5' C5' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C1' C1' C . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? P P P . 0 . ? O3P O3P O . 0 . ? H2 H2 H . 0 . ? H1P H1P H . 0 . ? H8 H8 H . 0 . ? H1' H1' H . 0 . ? H9C1 H9C1 H . 0 . ? H9C2 H9C2 H . 0 . ? H5'1 H5'1 H . 0 . ? H5'2 H5'2 H . 0 . ? H4' H4' H . 0 . ? H3' H3' H . 0 . ? H2' H2' H . 0 . ? HA HA H . 0 . ? HB HB H . 0 . ? H3P H3P H . 0 . ? H6 H6 H . 0 . ? H9 H9 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING C4 C5 ? ? SING C4 N9 ? ? SING C2 N3 ? ? DOUB C4 N3 ? ? DOUB C2 N1 ? ? DOUB C5 C6 ? ? SING N1 C6 ? ? SING C6 N6 ? ? SING N6 C9 ? ? SING C5 N7 ? ? SING N9 C8 ? ? DOUB N7 C8 ? ? SING O5' C5' ? ? SING C1' H1' ? ? SING C9 H9C1 ? ? SING C9 H9C2 ? ? SING C5' H5'1 ? ? SING C5' H5'2 ? ? SING C4' H4' ? ? SING C3' H3' ? ? SING C2' H2' ? ? SING O2' HA ? ? SING O3' HB ? ? SING O3P H3P ? ? SING C5' C4' ? ? SING C4' O4' ? ? SING N9 C1' ? ? SING O4' C1' ? ? SING C1' C2' ? ? SING C2' O2' ? ? SING C4' C3' ? ? SING C2' C3' ? ? SING C3' O3' ? ? SING O1P P ? ? DOUB O2P P ? ? SING O5' P ? ? SING P O3P ? ? SING C2 H2 ? ? SING O1P H1P ? ? SING C8 H8 ? ? SING N6 H6 ? ? SING C9 H9 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 'Norway rat' 10116 Eukaryota Metazoa . . $RNA_(5'-R(*UP*GP*(6MA)P*CP*AP*C)-3') . . . . . . 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 $entity_1 'recombinant technology' . . . . pTYB11 $RNA_(5'-R(*UP*GP*(6MA)P*CP*AP*C)-3') 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM '[U-99% 13C; U-99% 15N]' $RNA_(5'-R(*UP*GP*(6MA)P*CP*AP*C)-3') 0.8 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 25 mM 'natural abundance' beta-mercaptoethanol 10 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM '[U-99% 13C; U-99% 15N]' $RNA_(5'-R(*UP*GP*(6MA)P*CP*AP*C)-3') 0.8 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 25 mM 'natural abundance' beta-mercaptoethanol 10 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM '[U-99% 15N]' $RNA_(5'-R(*UP*GP*(6MA)P*CP*AP*C)-3') 0.8 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 25 mM 'natural abundance' beta-mercaptoethanol 10 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _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_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_3 save_ save_2D_1H-1H_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_aromatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_3 save_ save_3D_C(CO)NH_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_2D_1H_-1H_NOESY_13C_F1-filtered_F2-filtered_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H -1H NOESY 13C F1-filtered F2-filtered' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_13C_F1-edited_F3-filtered_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY 13C F1-edited F3-filtered' _Sample_label $sample_2 save_ save_2D_1H_-1H_NOESY_13C15N_F2-filtered_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H -1H NOESY 13C15N F2-filtered' _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 7 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D H(CCO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D C(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1 _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 1 348 2 THR HA H 4.285 0.020 1 2 348 2 THR HB H 4.306 0.020 1 3 348 2 THR HG2 H 1.278 0.020 1 4 348 2 THR CA C 62.540 0.400 1 5 348 2 THR CB C 69.602 0.400 1 6 348 2 THR CG2 C 21.737 0.400 1 7 350 4 LYS HA H 4.170 0.020 1 8 350 4 LYS HB2 H 1.856 0.020 2 9 350 4 LYS HB3 H 1.856 0.020 2 10 350 4 LYS HG2 H 1.363 0.020 2 11 350 4 LYS HG3 H 1.363 0.020 2 12 350 4 LYS HE2 H 2.927 0.020 2 13 350 4 LYS HE3 H 2.927 0.020 2 14 350 4 LYS CA C 58.474 0.400 1 15 350 4 LYS CB C 32.279 0.400 1 16 350 4 LYS CG C 24.929 0.400 1 17 351 5 LEU H H 8.024 0.020 1 18 351 5 LEU HA H 4.100 0.020 1 19 351 5 LEU HB2 H 1.668 0.020 2 20 351 5 LEU HB3 H 1.668 0.020 2 21 351 5 LEU HG H 1.557 0.020 1 22 351 5 LEU HD1 H 1.016 0.020 2 23 351 5 LEU HD2 H 0.952 0.020 2 24 351 5 LEU C C 177.903 0.400 1 25 351 5 LEU CA C 57.512 0.400 1 26 351 5 LEU CB C 41.589 0.400 1 27 351 5 LEU CG C 27.167 0.400 1 28 351 5 LEU CD1 C 24.368 0.400 1 29 351 5 LEU CD2 C 25.331 0.400 1 30 351 5 LEU N N 120.213 0.400 1 31 352 6 LYS H H 8.058 0.020 1 32 352 6 LYS HA H 3.787 0.020 1 33 352 6 LYS HB2 H 1.820 0.020 2 34 352 6 LYS HB3 H 1.820 0.020 2 35 352 6 LYS HG2 H 1.509 0.020 1 36 352 6 LYS HG3 H 1.346 0.020 1 37 352 6 LYS HD2 H 1.647 0.020 2 38 352 6 LYS HD3 H 1.647 0.020 2 39 352 6 LYS HE2 H 2.911 0.020 2 40 352 6 LYS HE3 H 2.911 0.020 2 41 352 6 LYS C C 179.038 0.400 1 42 352 6 LYS CA C 59.975 0.400 1 43 352 6 LYS CB C 31.965 0.400 1 44 352 6 LYS CG C 25.915 0.400 1 45 352 6 LYS CD C 29.116 0.400 1 46 352 6 LYS CE C 42.185 0.400 1 47 352 6 LYS N N 116.917 0.400 1 48 353 7 SER H H 7.844 0.020 1 49 353 7 SER HA H 4.260 0.020 1 50 353 7 SER HB2 H 3.952 0.020 2 51 353 7 SER HB3 H 3.952 0.020 2 52 353 7 SER C C 176.897 0.400 1 53 353 7 SER CA C 61.161 0.400 1 54 353 7 SER CB C 63.077 0.400 1 55 353 7 SER N N 112.249 0.400 1 56 354 8 VAL H H 7.685 0.020 1 57 354 8 VAL HA H 4.017 0.020 1 58 354 8 VAL HB H 2.213 0.020 1 59 354 8 VAL HG1 H 0.965 0.020 2 60 354 8 VAL HG2 H 1.051 0.020 2 61 354 8 VAL C C 176.094 0.400 1 62 354 8 VAL CA C 63.999 0.400 1 63 354 8 VAL CB C 31.878 0.400 1 64 354 8 VAL CG1 C 20.956 0.400 1 65 354 8 VAL CG2 C 21.201 0.400 1 66 354 8 VAL N N 119.186 0.400 1 67 355 9 LEU H H 7.422 0.020 1 68 355 9 LEU HA H 4.037 0.020 1 69 355 9 LEU HB2 H 1.758 0.020 1 70 355 9 LEU HB3 H 1.642 0.020 1 71 355 9 LEU HG H 2.029 0.020 1 72 355 9 LEU HD1 H 0.812 0.020 2 73 355 9 LEU HD2 H 0.791 0.020 2 74 355 9 LEU C C 177.550 0.400 1 75 355 9 LEU CA C 54.949 0.400 1 76 355 9 LEU CB C 41.746 0.400 1 77 355 9 LEU CG C 25.827 0.400 1 78 355 9 LEU CD1 C 26.646 0.400 1 79 355 9 LEU CD2 C 22.483 0.400 1 80 355 9 LEU N N 115.840 0.400 1 81 356 10 GLN H H 7.068 0.020 1 82 356 10 GLN HA H 3.962 0.020 1 83 356 10 GLN HB2 H 1.929 0.020 1 84 356 10 GLN HB3 H 2.092 0.020 1 85 356 10 GLN HG2 H 2.302 0.020 2 86 356 10 GLN HG3 H 2.388 0.020 2 87 356 10 GLN HE21 H 6.784 0.020 1 88 356 10 GLN HE22 H 7.506 0.020 1 89 356 10 GLN C C 175.804 0.400 1 90 356 10 GLN CA C 57.267 0.400 1 91 356 10 GLN CB C 28.681 0.400 1 92 356 10 GLN CG C 33.160 0.400 1 93 356 10 GLN N N 119.443 0.400 1 94 356 10 GLN NE2 N 112.260 0.400 1 95 357 11 ASP H H 9.042 0.020 1 96 357 11 ASP HA H 4.309 0.020 1 97 357 11 ASP HB2 H 2.622 0.020 1 98 357 11 ASP HB3 H 2.917 0.020 1 99 357 11 ASP C C 173.997 0.400 1 100 357 11 ASP CA C 55.237 0.400 1 101 357 11 ASP CB C 40.328 0.400 1 102 357 11 ASP N N 121.863 0.400 1 103 358 12 ALA H H 6.955 0.020 1 104 358 12 ALA HA H 4.611 0.020 1 105 358 12 ALA HB H 0.625 0.020 1 106 358 12 ALA C C 177.500 0.400 1 107 358 12 ALA CA C 51.476 0.400 1 108 358 12 ALA CB C 20.108 0.400 1 109 358 12 ALA N N 119.763 0.400 1 110 359 13 ARG H H 7.749 0.020 1 111 359 13 ARG HA H 4.623 0.020 1 112 359 13 ARG HB2 H 1.308 0.020 1 113 359 13 ARG HB3 H 1.897 0.020 1 114 359 13 ARG HG2 H 1.724 0.020 1 115 359 13 ARG HG3 H 1.771 0.020 1 116 359 13 ARG HD2 H 3.025 0.020 2 117 359 13 ARG HD3 H 3.430 0.020 2 118 359 13 ARG HE H 8.275 0.020 1 119 359 13 ARG C C 174.269 0.400 1 120 359 13 ARG CA C 54.279 0.400 1 121 359 13 ARG CB C 33.639 0.400 1 122 359 13 ARG CG C 26.868 0.400 1 123 359 13 ARG CD C 43.867 0.400 1 124 359 13 ARG N N 114.874 0.400 1 125 359 13 ARG NE N 85.025 0.400 1 126 360 14 PHE H H 8.975 0.020 1 127 360 14 PHE HA H 5.268 0.020 1 128 360 14 PHE HB2 H 2.983 0.020 1 129 360 14 PHE HB3 H 2.218 0.020 1 130 360 14 PHE HD1 H 6.696 0.020 1 131 360 14 PHE HD2 H 6.696 0.020 1 132 360 14 PHE HE1 H 7.148 0.020 1 133 360 14 PHE HE2 H 7.148 0.020 1 134 360 14 PHE HZ H 7.019 0.020 1 135 360 14 PHE C C 174.957 0.400 1 136 360 14 PHE CA C 56.423 0.400 1 137 360 14 PHE CB C 43.358 0.400 1 138 360 14 PHE CD1 C 130.645 0.400 1 139 360 14 PHE CE1 C 131.336 0.400 1 140 360 14 PHE CZ C 128.560 0.400 1 141 360 14 PHE N N 119.607 0.400 1 142 361 15 PHE H H 9.111 0.020 1 143 361 15 PHE HA H 4.929 0.020 1 144 361 15 PHE HB2 H 2.376 0.020 1 145 361 15 PHE HB3 H 2.400 0.020 1 146 361 15 PHE HD1 H 6.890 0.020 1 147 361 15 PHE HD2 H 6.890 0.020 1 148 361 15 PHE HE1 H 6.967 0.020 1 149 361 15 PHE HE2 H 6.967 0.020 1 150 361 15 PHE C C 173.329 0.400 1 151 361 15 PHE CA C 56.478 0.400 1 152 361 15 PHE CB C 42.471 0.400 1 153 361 15 PHE CD1 C 131.124 0.400 1 154 361 15 PHE CE1 C 129.797 0.400 1 155 361 15 PHE N N 119.346 0.400 1 156 362 16 LEU H H 9.005 0.020 1 157 362 16 LEU HA H 4.604 0.020 1 158 362 16 LEU HB2 H 2.033 0.020 1 159 362 16 LEU HB3 H 1.194 0.020 1 160 362 16 LEU HG H 1.333 0.020 1 161 362 16 LEU HD1 H 0.993 0.020 2 162 362 16 LEU HD2 H 0.805 0.020 2 163 362 16 LEU C C 174.016 0.400 1 164 362 16 LEU CA C 54.128 0.400 1 165 362 16 LEU CB C 44.265 0.400 1 166 362 16 LEU CG C 27.276 0.400 1 167 362 16 LEU CD1 C 23.322 0.400 1 168 362 16 LEU CD2 C 25.713 0.400 1 169 362 16 LEU N N 125.607 0.400 1 170 363 17 ILE H H 8.980 0.020 1 171 363 17 ILE HA H 4.538 0.020 1 172 363 17 ILE HB H 0.451 0.020 1 173 363 17 ILE HG12 H 0.906 0.020 2 174 363 17 ILE HG13 H 0.906 0.020 2 175 363 17 ILE HG2 H -0.055 0.020 1 176 363 17 ILE HD1 H 0.469 0.020 1 177 363 17 ILE C C 175.051 0.400 1 178 363 17 ILE CA C 55.741 0.400 1 179 363 17 ILE CB C 37.090 0.400 1 180 363 17 ILE CG1 C 27.012 0.400 1 181 363 17 ILE CG2 C 18.676 0.400 1 182 363 17 ILE CD1 C 7.724 0.400 1 183 363 17 ILE N N 129.378 0.400 1 184 364 18 LYS H H 9.255 0.020 1 185 364 18 LYS HA H 5.481 0.020 1 186 364 18 LYS HB2 H 1.465 0.020 1 187 364 18 LYS HB3 H 1.746 0.020 1 188 364 18 LYS HG2 H 1.437 0.020 1 189 364 18 LYS HG3 H 1.832 0.020 1 190 364 18 LYS HD2 H 1.764 0.020 2 191 364 18 LYS HD3 H 2.326 0.020 2 192 364 18 LYS HE2 H 3.110 0.020 2 193 364 18 LYS HE3 H 3.110 0.020 2 194 364 18 LYS C C 173.706 0.400 1 195 364 18 LYS CA C 50.279 0.400 1 196 364 18 LYS CB C 31.234 0.400 1 197 364 18 LYS CG C 23.886 0.400 1 198 364 18 LYS CD C 25.996 0.400 1 199 364 18 LYS CE C 42.424 0.400 1 200 364 18 LYS N N 125.419 0.400 1 201 365 19 SER H H 6.465 0.020 1 202 365 19 SER HA H 3.830 0.020 1 203 365 19 SER HB2 H 3.277 0.020 2 204 365 19 SER HB3 H 3.417 0.020 2 205 365 19 SER C C 176.937 0.400 1 206 365 19 SER CA C 53.266 0.400 1 207 365 19 SER CB C 66.038 0.400 1 208 365 19 SER N N 105.270 0.400 1 209 366 20 ASN H H 10.060 0.020 1 210 366 20 ASN HA H 4.750 0.020 1 211 366 20 ASN HB2 H 3.032 0.020 2 212 366 20 ASN HB3 H 3.375 0.020 2 213 366 20 ASN HD21 H 7.239 0.020 1 214 366 20 ASN HD22 H 7.576 0.020 1 215 366 20 ASN CA C 54.382 0.400 1 216 366 20 ASN CB C 38.115 0.400 1 217 366 20 ASN N N 127.222 0.400 1 218 366 20 ASN ND2 N 111.615 0.400 1 219 367 21 ASN H H 8.180 0.020 1 220 367 21 ASN HA H 5.078 0.020 1 221 367 21 ASN HB2 H 2.944 0.020 2 222 367 21 ASN HB3 H 3.604 0.020 2 223 367 21 ASN HD21 H 7.847 0.020 1 224 367 21 ASN HD22 H 6.482 0.020 1 225 367 21 ASN CA C 51.938 0.400 1 226 367 21 ASN CB C 41.274 0.400 1 227 367 21 ASN N N 112.125 0.400 1 228 367 21 ASN ND2 N 111.763 0.400 1 229 368 22 HIS HA H 4.333 0.020 1 230 368 22 HIS HB2 H 3.020 0.020 1 231 368 22 HIS HB3 H 3.085 0.020 1 232 368 22 HIS HD2 H 7.165 0.020 1 233 368 22 HIS HE1 H 7.548 0.020 1 234 368 22 HIS C C 178.715 0.400 1 235 368 22 HIS CA C 59.472 0.400 1 236 368 22 HIS CB C 31.436 0.400 1 237 368 22 HIS CD2 C 119.145 0.400 1 238 368 22 HIS CE1 C 137.137 0.400 1 239 369 23 GLU H H 10.248 0.020 1 240 369 23 GLU HA H 4.074 0.020 1 241 369 23 GLU HB2 H 2.007 0.020 2 242 369 23 GLU HB3 H 2.007 0.020 2 243 369 23 GLU HG2 H 2.442 0.020 2 244 369 23 GLU HG3 H 2.685 0.020 2 245 369 23 GLU C C 180.139 0.400 1 246 369 23 GLU CA C 61.829 0.400 1 247 369 23 GLU CB C 28.763 0.400 1 248 369 23 GLU CG C 37.865 0.400 1 249 369 23 GLU N N 124.076 0.400 1 250 370 24 ASN H H 9.055 0.020 1 251 370 24 ASN HA H 5.215 0.020 1 252 370 24 ASN HB2 H 3.287 0.020 1 253 370 24 ASN HB3 H 3.221 0.020 1 254 370 24 ASN HD21 H 10.077 0.020 1 255 370 24 ASN HD22 H 7.710 0.020 1 256 370 24 ASN C C 178.685 0.400 1 257 370 24 ASN CA C 55.950 0.400 1 258 370 24 ASN CB C 37.157 0.400 1 259 370 24 ASN N N 118.192 0.400 1 260 370 24 ASN ND2 N 109.451 0.400 1 261 371 25 VAL H H 7.195 0.020 1 262 371 25 VAL HA H 3.969 0.020 1 263 371 25 VAL HB H 2.253 0.020 1 264 371 25 VAL HG1 H 1.046 0.020 2 265 371 25 VAL HG2 H 0.690 0.020 2 266 371 25 VAL C C 177.322 0.400 1 267 371 25 VAL CA C 66.705 0.400 1 268 371 25 VAL CB C 30.971 0.400 1 269 371 25 VAL CG1 C 24.124 0.400 1 270 371 25 VAL CG2 C 21.178 0.400 1 271 371 25 VAL N N 121.762 0.400 1 272 372 26 SER H H 8.386 0.020 1 273 372 26 SER HA H 4.056 0.020 1 274 372 26 SER HB2 H 3.984 0.020 2 275 372 26 SER HB3 H 3.984 0.020 2 276 372 26 SER C C 177.806 0.400 1 277 372 26 SER CA C 62.119 0.400 1 278 372 26 SER CB C 62.027 0.400 1 279 372 26 SER N N 117.428 0.400 1 280 373 27 LEU H H 8.475 0.020 1 281 373 27 LEU HA H 4.207 0.020 1 282 373 27 LEU HB2 H 2.003 0.020 1 283 373 27 LEU HB3 H 1.878 0.020 1 284 373 27 LEU HG H 1.508 0.020 1 285 373 27 LEU HD1 H 0.797 0.020 2 286 373 27 LEU HD2 H 0.529 0.020 2 287 373 27 LEU C C 178.848 0.400 1 288 373 27 LEU CA C 58.703 0.400 1 289 373 27 LEU CB C 42.351 0.400 1 290 373 27 LEU CG C 27.516 0.400 1 291 373 27 LEU CD1 C 24.816 0.400 1 292 373 27 LEU CD2 C 24.201 0.400 1 293 373 27 LEU N N 125.046 0.400 1 294 374 28 ALA H H 8.740 0.020 1 295 374 28 ALA HA H 4.816 0.020 1 296 374 28 ALA HB H 2.470 0.020 1 297 374 28 ALA C C 183.318 0.400 1 298 374 28 ALA CA C 56.193 0.400 1 299 374 28 ALA CB C 21.213 0.400 1 300 374 28 ALA N N 123.286 0.400 1 301 375 29 LYS H H 8.393 0.020 1 302 375 29 LYS HA H 3.166 0.020 1 303 375 29 LYS HB2 H 1.183 0.020 2 304 375 29 LYS HB3 H 1.688 0.020 2 305 375 29 LYS HG2 H 0.797 0.020 1 306 375 29 LYS HG3 H -1.152 0.020 1 307 375 29 LYS HD2 H 1.185 0.020 1 308 375 29 LYS HD3 H 1.034 0.020 1 309 375 29 LYS HE2 H 1.912 0.020 2 310 375 29 LYS HE3 H 1.912 0.020 2 311 375 29 LYS C C 177.408 0.400 1 312 375 29 LYS CA C 59.449 0.400 1 313 375 29 LYS CB C 32.737 0.400 1 314 375 29 LYS CG C 27.274 0.400 1 315 375 29 LYS CD C 29.488 0.400 1 316 375 29 LYS CE C 42.560 0.400 1 317 375 29 LYS N N 120.307 0.400 1 318 376 30 ALA H H 7.691 0.020 1 319 376 30 ALA HA H 4.259 0.020 1 320 376 30 ALA HB H 1.524 0.020 1 321 376 30 ALA C C 180.136 0.400 1 322 376 30 ALA CA C 54.240 0.400 1 323 376 30 ALA CB C 19.323 0.400 1 324 376 30 ALA N N 121.591 0.400 1 325 377 31 LYS H H 8.661 0.020 1 326 377 31 LYS HA H 4.497 0.020 1 327 377 31 LYS HB2 H 1.722 0.020 1 328 377 31 LYS HB3 H 1.895 0.020 1 329 377 31 LYS HG2 H 1.435 0.020 2 330 377 31 LYS HG3 H 1.435 0.020 2 331 377 31 LYS HD2 H 1.456 0.020 2 332 377 31 LYS HD3 H 1.497 0.020 2 333 377 31 LYS HE2 H 2.829 0.020 2 334 377 31 LYS HE3 H 2.912 0.020 2 335 377 31 LYS C C 177.469 0.400 1 336 377 31 LYS CA C 55.804 0.400 1 337 377 31 LYS CB C 34.569 0.400 1 338 377 31 LYS CG C 25.083 0.400 1 339 377 31 LYS CD C 28.335 0.400 1 340 377 31 LYS CE C 41.840 0.400 1 341 377 31 LYS N N 113.573 0.400 1 342 378 32 GLY H H 8.507 0.020 1 343 378 32 GLY HA2 H 3.908 0.020 1 344 378 32 GLY HA3 H 4.241 0.020 1 345 378 32 GLY C C 174.883 0.400 1 346 378 32 GLY CA C 48.078 0.400 1 347 378 32 GLY N N 110.593 0.400 1 348 379 33 VAL H H 7.177 0.020 1 349 379 33 VAL HA H 5.845 0.020 1 350 379 33 VAL HB H 2.233 0.020 1 351 379 33 VAL HG1 H 0.852 0.020 2 352 379 33 VAL HG2 H 0.689 0.020 2 353 379 33 VAL C C 174.006 0.400 1 354 379 33 VAL CA C 57.896 0.400 1 355 379 33 VAL CB C 37.372 0.400 1 356 379 33 VAL CG1 C 22.298 0.400 1 357 379 33 VAL CG2 C 17.206 0.400 1 358 379 33 VAL N N 109.376 0.400 1 359 380 34 TRP H H 8.967 0.020 1 360 380 34 TRP HA H 5.597 0.020 1 361 380 34 TRP HB2 H 3.534 0.020 1 362 380 34 TRP HB3 H 2.500 0.020 1 363 380 34 TRP HD1 H 6.227 0.020 1 364 380 34 TRP HE1 H 11.177 0.020 1 365 380 34 TRP HE3 H 8.297 0.020 1 366 380 34 TRP HZ2 H 6.800 0.020 1 367 380 34 TRP HZ3 H 7.374 0.020 1 368 380 34 TRP HH2 H 6.630 0.020 1 369 380 34 TRP C C 173.146 0.400 1 370 380 34 TRP CA C 56.650 0.400 1 371 380 34 TRP CB C 34.891 0.400 1 372 380 34 TRP CD1 C 122.923 0.400 1 373 380 34 TRP CE3 C 121.573 0.400 1 374 380 34 TRP CZ2 C 115.167 0.400 1 375 380 34 TRP CZ3 C 124.332 0.400 1 376 380 34 TRP CH2 C 122.497 0.400 1 377 380 34 TRP N N 114.912 0.400 1 378 380 34 TRP NE1 N 136.347 0.400 1 379 381 35 SER H H 5.088 0.020 1 380 381 35 SER HB2 H 2.619 0.020 2 381 381 35 SER HB3 H 3.612 0.020 2 382 381 35 SER C C 169.071 0.400 1 383 381 35 SER CA C 58.171 0.400 1 384 381 35 SER CB C 67.410 0.400 1 385 381 35 SER N N 121.164 0.400 1 386 382 36 THR H H 9.358 0.020 1 387 382 36 THR HA H 4.808 0.020 1 388 382 36 THR HB H 4.074 0.020 1 389 382 36 THR HG2 H 1.197 0.020 1 390 382 36 THR CA C 58.014 0.400 1 391 382 36 THR CB C 70.265 0.400 1 392 382 36 THR CG2 C 18.053 0.400 1 393 382 36 THR N N 118.263 0.400 1 394 383 37 LEU H H 7.922 0.020 1 395 383 37 LEU HA H 4.646 0.020 1 396 383 37 LEU HB2 H 1.506 0.020 1 397 383 37 LEU HB3 H 1.427 0.020 1 398 383 37 LEU HG H 1.506 0.020 1 399 383 37 LEU HD1 H 0.686 0.020 2 400 383 37 LEU HD2 H 0.452 0.020 2 401 383 37 LEU CA C 53.693 0.400 1 402 383 37 LEU CB C 40.472 0.400 1 403 383 37 LEU CG C 28.117 0.400 1 404 383 37 LEU CD1 C 24.876 0.400 1 405 383 37 LEU CD2 C 23.549 0.400 1 406 383 37 LEU N N 122.995 0.400 1 407 384 38 PRO HA H 4.412 0.020 1 408 384 38 PRO HB2 H 2.078 0.020 2 409 384 38 PRO HB3 H 2.430 0.020 2 410 384 38 PRO HG2 H 2.298 0.020 2 411 384 38 PRO HG3 H 2.298 0.020 2 412 384 38 PRO HD2 H 3.785 0.020 2 413 384 38 PRO HD3 H 4.269 0.020 2 414 384 38 PRO C C 179.424 0.400 1 415 384 38 PRO CA C 66.970 0.400 1 416 384 38 PRO CB C 32.528 0.400 1 417 384 38 PRO CG C 27.761 0.400 1 418 384 38 PRO CD C 49.861 0.400 1 419 385 39 VAL H H 8.428 0.020 1 420 385 39 VAL HA H 3.764 0.020 1 421 385 39 VAL HB H 2.102 0.020 1 422 385 39 VAL HG1 H 0.911 0.020 2 423 385 39 VAL HG2 H 0.983 0.020 2 424 385 39 VAL C C 178.457 0.400 1 425 385 39 VAL CA C 66.430 0.400 1 426 385 39 VAL CB C 31.373 0.400 1 427 385 39 VAL CG1 C 20.565 0.400 1 428 385 39 VAL CG2 C 22.513 0.400 1 429 385 39 VAL N N 117.084 0.400 1 430 386 40 ASN H H 7.325 0.020 1 431 386 40 ASN HA H 4.633 0.020 1 432 386 40 ASN HB2 H 3.120 0.020 1 433 386 40 ASN HB3 H 2.482 0.020 1 434 386 40 ASN HD21 H 7.102 0.020 1 435 386 40 ASN HD22 H 5.844 0.020 1 436 386 40 ASN C C 176.591 0.400 1 437 386 40 ASN CA C 54.530 0.400 1 438 386 40 ASN CB C 37.895 0.400 1 439 386 40 ASN N N 119.648 0.400 1 440 386 40 ASN ND2 N 111.849 0.400 1 441 387 41 GLU H H 8.986 0.020 1 442 387 41 GLU HA H 3.854 0.020 1 443 387 41 GLU HB2 H 2.297 0.020 1 444 387 41 GLU HB3 H 2.036 0.020 1 445 387 41 GLU HG2 H 2.388 0.020 1 446 387 41 GLU HG3 H 2.081 0.020 1 447 387 41 GLU C C 177.917 0.400 1 448 387 41 GLU CA C 59.232 0.400 1 449 387 41 GLU CB C 29.608 0.400 1 450 387 41 GLU CG C 35.005 0.400 1 451 387 41 GLU N N 125.658 0.400 1 452 388 42 LYS H H 7.490 0.020 1 453 388 42 LYS HA H 4.156 0.020 1 454 388 42 LYS HB2 H 1.928 0.020 2 455 388 42 LYS HB3 H 1.928 0.020 2 456 388 42 LYS HG2 H 1.471 0.020 2 457 388 42 LYS HG3 H 1.595 0.020 2 458 388 42 LYS HD2 H 1.711 0.020 2 459 388 42 LYS HD3 H 1.711 0.020 2 460 388 42 LYS HE2 H 2.962 0.020 2 461 388 42 LYS HE3 H 2.962 0.020 2 462 388 42 LYS C C 178.772 0.400 1 463 388 42 LYS CA C 59.415 0.400 1 464 388 42 LYS CB C 32.312 0.400 1 465 388 42 LYS CG C 25.058 0.400 1 466 388 42 LYS CD C 29.304 0.400 1 467 388 42 LYS CE C 42.007 0.400 1 468 388 42 LYS N N 116.892 0.400 1 469 389 43 LYS H H 7.202 0.020 1 470 389 43 LYS HA H 4.004 0.020 1 471 389 43 LYS HB2 H 1.845 0.020 1 472 389 43 LYS HB3 H 1.963 0.020 1 473 389 43 LYS HG2 H 1.355 0.020 2 474 389 43 LYS HG3 H 1.602 0.020 2 475 389 43 LYS HD2 H 1.766 0.020 2 476 389 43 LYS HD3 H 1.872 0.020 2 477 389 43 LYS HE2 H 3.002 0.020 2 478 389 43 LYS HE3 H 3.072 0.020 2 479 389 43 LYS C C 179.471 0.400 1 480 389 43 LYS CA C 59.629 0.400 1 481 389 43 LYS CB C 32.627 0.400 1 482 389 43 LYS CG C 24.680 0.400 1 483 389 43 LYS CD C 29.879 0.400 1 484 389 43 LYS CE C 41.763 0.400 1 485 389 43 LYS N N 118.355 0.400 1 486 390 44 LEU H H 8.476 0.020 1 487 390 44 LEU HA H 3.529 0.020 1 488 390 44 LEU HB2 H 0.728 0.020 2 489 390 44 LEU HB3 H 1.688 0.020 2 490 390 44 LEU HG H 1.250 0.020 1 491 390 44 LEU HD1 H 0.057 0.020 2 492 390 44 LEU HD2 H -0.368 0.020 2 493 390 44 LEU C C 178.770 0.400 1 494 390 44 LEU CA C 57.752 0.400 1 495 390 44 LEU CB C 41.326 0.400 1 496 390 44 LEU CG C 27.013 0.400 1 497 390 44 LEU CD1 C 23.734 0.400 1 498 390 44 LEU CD2 C 21.452 0.400 1 499 390 44 LEU N N 120.598 0.400 1 500 391 45 ASN H H 8.327 0.020 1 501 391 45 ASN HA H 4.760 0.020 1 502 391 45 ASN HB2 H 2.766 0.020 2 503 391 45 ASN HB3 H 2.936 0.020 2 504 391 45 ASN HD21 H 7.042 0.020 1 505 391 45 ASN HD22 H 7.296 0.020 1 506 391 45 ASN C C 178.298 0.400 1 507 391 45 ASN CA C 56.637 0.400 1 508 391 45 ASN CB C 37.921 0.400 1 509 391 45 ASN N N 118.795 0.400 1 510 391 45 ASN ND2 N 110.523 0.400 1 511 392 46 LEU H H 7.827 0.020 1 512 392 46 LEU HA H 4.065 0.020 1 513 392 46 LEU HB2 H 1.821 0.020 1 514 392 46 LEU HB3 H 1.632 0.020 1 515 392 46 LEU HG H 1.766 0.020 1 516 392 46 LEU HD1 H 0.919 0.020 2 517 392 46 LEU HD2 H 0.901 0.020 2 518 392 46 LEU CA C 57.821 0.400 1 519 392 46 LEU CB C 41.588 0.400 1 520 392 46 LEU CG C 27.251 0.400 1 521 392 46 LEU CD1 C 24.730 0.400 1 522 392 46 LEU CD2 C 23.570 0.400 1 523 392 46 LEU N N 118.602 0.400 1 524 393 47 ALA H H 8.175 0.020 1 525 393 47 ALA HA H 4.077 0.020 1 526 393 47 ALA HB H 1.466 0.020 1 527 393 47 ALA C C 178.807 0.400 1 528 393 47 ALA CA C 55.075 0.400 1 529 393 47 ALA CB C 18.344 0.400 1 530 393 47 ALA N N 122.947 0.400 1 531 394 48 PHE H H 8.874 0.020 1 532 394 48 PHE HA H 3.943 0.020 1 533 394 48 PHE HB2 H 3.291 0.020 1 534 394 48 PHE HB3 H 3.254 0.020 1 535 394 48 PHE HD1 H 6.963 0.020 1 536 394 48 PHE HD2 H 6.963 0.020 1 537 394 48 PHE HE1 H 7.249 0.020 1 538 394 48 PHE HE2 H 7.249 0.020 1 539 394 48 PHE C C 177.226 0.400 1 540 394 48 PHE CA C 61.467 0.400 1 541 394 48 PHE CB C 38.916 0.400 1 542 394 48 PHE CD1 C 131.303 0.400 1 543 394 48 PHE CE1 C 130.896 0.400 1 544 394 48 PHE N N 118.422 0.400 1 545 395 49 ARG H H 7.380 0.020 1 546 395 49 ARG HA H 4.084 0.020 1 547 395 49 ARG HB2 H 2.034 0.020 1 548 395 49 ARG HB3 H 1.883 0.020 1 549 395 49 ARG HG2 H 1.817 0.020 1 550 395 49 ARG HG3 H 2.089 0.020 1 551 395 49 ARG HD2 H 3.148 0.020 2 552 395 49 ARG HD3 H 3.265 0.020 2 553 395 49 ARG C C 176.872 0.400 1 554 395 49 ARG CA C 57.090 0.400 1 555 395 49 ARG CB C 31.083 0.400 1 556 395 49 ARG CG C 27.761 0.400 1 557 395 49 ARG CD C 43.797 0.400 1 558 395 49 ARG N N 112.973 0.400 1 559 396 50 SER H H 7.595 0.020 1 560 396 50 SER HA H 4.538 0.020 1 561 396 50 SER HB2 H 3.839 0.020 2 562 396 50 SER HB3 H 3.915 0.020 2 563 396 50 SER C C 173.255 0.400 1 564 396 50 SER CA C 58.687 0.400 1 565 396 50 SER CB C 64.967 0.400 1 566 396 50 SER N N 112.074 0.400 1 567 397 51 ALA H H 7.836 0.020 1 568 397 51 ALA HA H 4.649 0.020 1 569 397 51 ALA HB H 1.295 0.020 1 570 397 51 ALA C C 177.289 0.400 1 571 397 51 ALA CA C 50.968 0.400 1 572 397 51 ALA CB C 21.302 0.400 1 573 397 51 ALA N N 124.284 0.400 1 574 398 52 ARG H H 8.762 0.020 1 575 398 52 ARG HA H 3.941 0.020 1 576 398 52 ARG HB2 H 1.821 0.020 1 577 398 52 ARG HB3 H 1.754 0.020 1 578 398 52 ARG HG2 H 1.651 0.020 2 579 398 52 ARG HG3 H 1.651 0.020 2 580 398 52 ARG HD2 H 3.192 0.020 2 581 398 52 ARG HD3 H 3.192 0.020 2 582 398 52 ARG C C 176.848 0.400 1 583 398 52 ARG CA C 58.279 0.400 1 584 398 52 ARG CB C 30.377 0.400 1 585 398 52 ARG CG C 27.012 0.400 1 586 398 52 ARG CD C 43.026 0.400 1 587 398 52 ARG N N 121.621 0.400 1 588 399 53 SER H H 7.012 0.020 1 589 399 53 SER HA H 4.589 0.020 1 590 399 53 SER HB2 H 3.425 0.020 2 591 399 53 SER HB3 H 3.559 0.020 2 592 399 53 SER C C 171.564 0.400 1 593 399 53 SER CA C 57.202 0.400 1 594 399 53 SER CB C 66.275 0.400 1 595 399 53 SER N N 109.404 0.400 1 596 400 54 VAL H H 9.136 0.020 1 597 400 54 VAL HA H 4.497 0.020 1 598 400 54 VAL HB H 2.089 0.020 1 599 400 54 VAL HG1 H 0.838 0.020 2 600 400 54 VAL HG2 H 0.838 0.020 2 601 400 54 VAL C C 173.507 0.400 1 602 400 54 VAL CA C 61.262 0.400 1 603 400 54 VAL CB C 32.847 0.400 1 604 400 54 VAL CG1 C 22.102 0.400 1 605 400 54 VAL N N 126.207 0.400 1 606 401 55 ILE H H 9.189 0.020 1 607 401 55 ILE HB H 1.579 0.020 1 608 401 55 ILE HG12 H 0.945 0.020 1 609 401 55 ILE HG13 H 0.779 0.020 1 610 401 55 ILE HG2 H 0.740 0.020 1 611 401 55 ILE HD1 H 0.459 0.020 1 612 401 55 ILE C C 173.823 0.400 1 613 401 55 ILE CA C 57.194 0.400 1 614 401 55 ILE CB C 36.857 0.400 1 615 401 55 ILE CG1 C 26.076 0.400 1 616 401 55 ILE CG2 C 17.475 0.400 1 617 401 55 ILE CD1 C 9.076 0.400 1 618 401 55 ILE N N 128.834 0.400 1 619 402 56 LEU H H 9.174 0.020 1 620 402 56 LEU HA H 4.837 0.020 1 621 402 56 LEU HB2 H 1.328 0.020 1 622 402 56 LEU HB3 H 0.689 0.020 1 623 402 56 LEU HG H 1.365 0.020 1 624 402 56 LEU HD1 H 0.429 0.020 2 625 402 56 LEU HD2 H 0.415 0.020 2 626 402 56 LEU CA C 52.450 0.400 1 627 402 56 LEU CB C 42.632 0.400 1 628 402 56 LEU CG C 27.453 0.400 1 629 402 56 LEU CD1 C 24.853 0.400 1 630 402 56 LEU CD2 C 23.057 0.400 1 631 402 56 LEU N N 126.903 0.400 1 632 403 57 ILE H H 8.860 0.020 1 633 403 57 ILE HA H 4.509 0.020 1 634 403 57 ILE HB H 1.587 0.020 1 635 403 57 ILE HG12 H 0.660 0.020 1 636 403 57 ILE HG13 H 1.368 0.020 1 637 403 57 ILE HG2 H 0.800 0.020 1 638 403 57 ILE HD1 H 0.545 0.020 1 639 403 57 ILE C C 174.651 0.400 1 640 403 57 ILE CA C 60.833 0.400 1 641 403 57 ILE CB C 38.998 0.400 1 642 403 57 ILE CG1 C 27.717 0.400 1 643 403 57 ILE CG2 C 18.907 0.400 1 644 403 57 ILE CD1 C 15.206 0.400 1 645 403 57 ILE N N 124.568 0.400 1 646 404 58 PHE H H 8.640 0.020 1 647 404 58 PHE HB2 H 2.429 0.020 1 648 404 58 PHE HB3 H 2.897 0.020 1 649 404 58 PHE HD1 H 6.416 0.020 1 650 404 58 PHE HD2 H 6.416 0.020 1 651 404 58 PHE HE1 H 5.319 0.020 1 652 404 58 PHE HE2 H 5.319 0.020 1 653 404 58 PHE HZ H 5.877 0.020 1 654 404 58 PHE C C 178.143 0.400 1 655 404 58 PHE CA C 58.793 0.400 1 656 404 58 PHE CB C 42.522 0.400 1 657 404 58 PHE CD2 C 130.173 0.400 1 658 404 58 PHE CE2 C 130.356 0.400 1 659 404 58 PHE CZ C 127.608 0.400 1 660 404 58 PHE N N 125.452 0.400 1 661 405 59 SER H H 9.301 0.020 1 662 405 59 SER HA H 5.702 0.020 1 663 405 59 SER HB2 H 3.542 0.020 2 664 405 59 SER HB3 H 4.180 0.020 2 665 405 59 SER C C 174.559 0.400 1 666 405 59 SER CA C 56.143 0.400 1 667 405 59 SER CB C 63.617 0.400 1 668 405 59 SER N N 114.931 0.400 1 669 406 60 VAL H H 9.535 0.020 1 670 406 60 VAL HA H 3.967 0.020 1 671 406 60 VAL HB H 1.351 0.020 1 672 406 60 VAL HG1 H 0.179 0.020 2 673 406 60 VAL HG2 H 0.723 0.020 2 674 406 60 VAL C C 177.547 0.400 1 675 406 60 VAL CA C 62.888 0.400 1 676 406 60 VAL CB C 31.933 0.400 1 677 406 60 VAL CG1 C 18.750 0.400 1 678 406 60 VAL CG2 C 22.186 0.400 1 679 406 60 VAL N N 131.645 0.400 1 680 407 61 ARG H H 9.415 0.020 1 681 407 61 ARG HA H 4.298 0.020 1 682 407 61 ARG HB2 H 1.847 0.020 2 683 407 61 ARG HB3 H 2.085 0.020 2 684 407 61 ARG HG2 H 1.947 0.020 1 685 407 61 ARG HG3 H 1.866 0.020 1 686 407 61 ARG HD2 H 3.364 0.020 2 687 407 61 ARG HD3 H 3.407 0.020 2 688 407 61 ARG C C 175.157 0.400 1 689 407 61 ARG CA C 58.080 0.400 1 690 407 61 ARG CB C 31.978 0.400 1 691 407 61 ARG CG C 27.453 0.400 1 692 407 61 ARG CD C 44.404 0.400 1 693 407 61 ARG N N 131.551 0.400 1 694 408 62 GLU H H 8.602 0.020 1 695 408 62 GLU HA H 4.151 0.020 1 696 408 62 GLU HB2 H 2.358 0.020 2 697 408 62 GLU HB3 H 2.358 0.020 2 698 408 62 GLU HG2 H 2.338 0.020 2 699 408 62 GLU HG3 H 2.470 0.020 2 700 408 62 GLU C C 176.444 0.400 1 701 408 62 GLU CA C 59.505 0.400 1 702 408 62 GLU CB C 27.638 0.400 1 703 408 62 GLU CG C 38.341 0.400 1 704 408 62 GLU N N 119.693 0.400 1 705 409 63 SER H H 8.158 0.020 1 706 409 63 SER HA H 4.358 0.020 1 707 409 63 SER HB2 H 3.483 0.020 2 708 409 63 SER HB3 H 3.916 0.020 2 709 409 63 SER C C 176.433 0.400 1 710 409 63 SER CA C 59.850 0.400 1 711 409 63 SER CB C 64.913 0.400 1 712 409 63 SER N N 113.912 0.400 1 713 410 64 GLY H H 9.218 0.020 1 714 410 64 GLY HA2 H 3.426 0.020 2 715 410 64 GLY HA3 H 3.705 0.020 2 716 410 64 GLY C C 172.734 0.400 1 717 410 64 GLY CA C 46.154 0.400 1 718 410 64 GLY N N 112.529 0.400 1 719 411 65 LYS H H 6.855 0.020 1 720 411 65 LYS HA H 4.114 0.020 1 721 411 65 LYS HB2 H 1.569 0.020 1 722 411 65 LYS HB3 H 1.107 0.020 1 723 411 65 LYS HG2 H 1.221 0.020 1 724 411 65 LYS HG3 H 0.912 0.020 1 725 411 65 LYS HD2 H 1.412 0.020 1 726 411 65 LYS HD3 H 1.318 0.020 1 727 411 65 LYS HE2 H 2.852 0.020 1 728 411 65 LYS HE3 H 2.823 0.020 1 729 411 65 LYS C C 174.117 0.400 1 730 411 65 LYS CA C 54.380 0.400 1 731 411 65 LYS CB C 38.631 0.400 1 732 411 65 LYS CG C 24.907 0.400 1 733 411 65 LYS CD C 30.136 0.400 1 734 411 65 LYS CE C 42.191 0.400 1 735 411 65 LYS N N 116.618 0.400 1 736 412 66 PHE H H 8.632 0.020 1 737 412 66 PHE HA H 5.437 0.020 1 738 412 66 PHE HB2 H 3.163 0.020 1 739 412 66 PHE HB3 H 3.684 0.020 1 740 412 66 PHE HD1 H 7.287 0.020 1 741 412 66 PHE HD2 H 7.287 0.020 1 742 412 66 PHE HE1 H 6.663 0.020 1 743 412 66 PHE HE2 H 6.663 0.020 1 744 412 66 PHE C C 177.851 0.400 1 745 412 66 PHE CA C 56.781 0.400 1 746 412 66 PHE CB C 42.335 0.400 1 747 412 66 PHE CD2 C 132.450 0.400 1 748 412 66 PHE CE2 C 129.058 0.400 1 749 412 66 PHE N N 116.720 0.400 1 750 413 67 GLN H H 8.707 0.020 1 751 413 67 GLN HA H 4.470 0.020 1 752 413 67 GLN HB2 H 1.954 0.020 2 753 413 67 GLN HB3 H 1.954 0.020 2 754 413 67 GLN HG2 H 2.450 0.020 2 755 413 67 GLN HG3 H 2.671 0.020 2 756 413 67 GLN HE21 H 6.622 0.020 2 757 413 67 GLN HE22 H 8.021 0.020 2 758 413 67 GLN C C 173.679 0.400 1 759 413 67 GLN CA C 58.552 0.400 1 760 413 67 GLN CB C 28.877 0.400 1 761 413 67 GLN CG C 36.139 0.400 1 762 413 67 GLN N N 120.952 0.400 1 763 413 67 GLN NE2 N 110.248 0.400 1 764 414 68 GLY H H 7.359 0.020 1 765 414 68 GLY HA2 H 3.723 0.020 1 766 414 68 GLY HA3 H 5.152 0.020 1 767 414 68 GLY C C 172.030 0.400 1 768 414 68 GLY CA C 44.474 0.400 1 769 414 68 GLY N N 102.673 0.400 1 770 415 69 PHE H H 9.036 0.020 1 771 415 69 PHE HA H 5.826 0.020 1 772 415 69 PHE HB2 H 2.842 0.020 2 773 415 69 PHE HB3 H 2.842 0.020 2 774 415 69 PHE HD1 H 6.050 0.020 1 775 415 69 PHE HD2 H 6.050 0.020 1 776 415 69 PHE HE1 H 6.890 0.020 1 777 415 69 PHE HE2 H 6.890 0.020 1 778 415 69 PHE C C 173.285 0.400 1 779 415 69 PHE CA C 56.479 0.400 1 780 415 69 PHE CB C 42.376 0.400 1 781 415 69 PHE CD2 C 132.005 0.400 1 782 415 69 PHE CE2 C 130.827 0.400 1 783 415 69 PHE N N 112.044 0.400 1 784 416 70 ALA H H 9.242 0.020 1 785 416 70 ALA HA H 4.641 0.020 1 786 416 70 ALA HB H 0.080 0.020 1 787 416 70 ALA C C 173.540 0.400 1 788 416 70 ALA CA C 50.050 0.400 1 789 416 70 ALA CB C 24.314 0.400 1 790 416 70 ALA N N 123.879 0.400 1 791 417 71 ARG H H 8.884 0.020 1 792 417 71 ARG HA H 5.186 0.020 1 793 417 71 ARG HB2 H 1.390 0.020 1 794 417 71 ARG HB3 H 1.806 0.020 1 795 417 71 ARG HG2 H 1.525 0.020 2 796 417 71 ARG HG3 H 1.791 0.020 2 797 417 71 ARG HD2 H 3.090 0.020 1 798 417 71 ARG HD3 H 3.169 0.020 1 799 417 71 ARG HE H 7.508 0.020 1 800 417 71 ARG C C 175.969 0.400 1 801 417 71 ARG CA C 53.824 0.400 1 802 417 71 ARG CB C 33.132 0.400 1 803 417 71 ARG CG C 27.636 0.400 1 804 417 71 ARG CD C 44.148 0.400 1 805 417 71 ARG N N 121.136 0.400 1 806 417 71 ARG NE N 83.896 0.400 1 807 418 72 LEU H H 8.977 0.020 1 808 418 72 LEU HA H 4.303 0.020 1 809 418 72 LEU HB2 H 1.276 0.020 1 810 418 72 LEU HB3 H 2.056 0.020 1 811 418 72 LEU HG H 1.654 0.020 1 812 418 72 LEU HD1 H 0.776 0.020 2 813 418 72 LEU HD2 H 0.674 0.020 2 814 418 72 LEU C C 176.662 0.400 1 815 418 72 LEU CA C 56.045 0.400 1 816 418 72 LEU CB C 44.154 0.400 1 817 418 72 LEU CG C 26.558 0.400 1 818 418 72 LEU CD1 C 24.344 0.400 1 819 418 72 LEU CD2 C 26.990 0.400 1 820 418 72 LEU N N 128.327 0.400 1 821 419 73 SER H H 9.082 0.020 1 822 419 73 SER HA H 4.985 0.020 1 823 419 73 SER HB2 H 3.770 0.020 1 824 419 73 SER HB3 H 3.576 0.020 1 825 419 73 SER C C 173.808 0.400 1 826 419 73 SER CA C 57.791 0.400 1 827 419 73 SER CB C 64.487 0.400 1 828 419 73 SER N N 120.522 0.400 1 829 420 74 SER H H 7.646 0.020 1 830 420 74 SER HA H 4.073 0.020 1 831 420 74 SER HB2 H 4.152 0.020 1 832 420 74 SER HB3 H 3.658 0.020 1 833 420 74 SER C C 170.592 0.400 1 834 420 74 SER CA C 57.619 0.400 1 835 420 74 SER CB C 67.048 0.400 1 836 420 74 SER N N 117.374 0.400 1 837 421 75 GLU H H 7.531 0.020 1 838 421 75 GLU HA H 4.475 0.020 1 839 421 75 GLU HB2 H 1.768 0.020 1 840 421 75 GLU HB3 H 2.105 0.020 1 841 421 75 GLU HG2 H 2.279 0.020 1 842 421 75 GLU HG3 H 2.343 0.020 1 843 421 75 GLU C C 178.184 0.400 1 844 421 75 GLU CA C 55.489 0.400 1 845 421 75 GLU CB C 31.745 0.400 1 846 421 75 GLU CG C 37.929 0.400 1 847 421 75 GLU N N 113.100 0.400 1 848 422 76 SER H H 9.304 0.020 1 849 422 76 SER HA H 3.321 0.020 1 850 422 76 SER HB2 H 2.072 0.020 2 851 422 76 SER HB3 H 2.516 0.020 2 852 422 76 SER C C 174.399 0.400 1 853 422 76 SER CA C 57.971 0.400 1 854 422 76 SER CB C 61.833 0.400 1 855 422 76 SER N N 120.216 0.400 1 856 423 77 HIS H H 8.196 0.020 1 857 423 77 HIS HA H 4.825 0.020 1 858 423 77 HIS HB2 H 3.018 0.020 1 859 423 77 HIS HB3 H 2.989 0.020 1 860 423 77 HIS HD2 H 6.916 0.020 1 861 423 77 HIS HE1 H 7.754 0.020 1 862 423 77 HIS CA C 55.067 0.400 1 863 423 77 HIS CB C 32.920 0.400 1 864 423 77 HIS CD2 C 120.361 0.400 1 865 423 77 HIS CE1 C 137.694 0.400 1 866 423 77 HIS N N 118.768 0.400 1 867 424 78 HIS HB2 H 2.789 0.020 2 868 424 78 HIS HB3 H 3.002 0.020 2 869 424 78 HIS HD2 H 6.732 0.020 1 870 424 78 HIS CA C 57.006 0.400 1 871 424 78 HIS CB C 32.071 0.400 1 872 424 78 HIS CD2 C 117.320 0.400 1 873 425 79 GLY H H 8.445 0.020 1 874 425 79 GLY CA C 45.859 0.400 1 875 425 79 GLY N N 109.164 0.400 1 876 426 80 GLY H H 8.280 0.020 1 877 426 80 GLY HA2 H 3.839 0.020 2 878 426 80 GLY HA3 H 4.119 0.020 2 879 426 80 GLY CA C 44.023 0.400 1 880 426 80 GLY N N 108.287 0.400 1 881 427 81 SER H H 8.323 0.020 1 882 427 81 SER HA H 4.524 0.020 1 883 427 81 SER HB2 H 3.676 0.020 2 884 427 81 SER HB3 H 3.792 0.020 2 885 427 81 SER CA C 56.885 0.400 1 886 427 81 SER CB C 62.560 0.400 1 887 427 81 SER N N 117.704 0.400 1 888 428 82 PRO HA H 4.176 0.020 1 889 428 82 PRO HB2 H 1.476 0.020 2 890 428 82 PRO HB3 H 2.087 0.020 2 891 428 82 PRO HG2 H 1.902 0.020 2 892 428 82 PRO HG3 H 1.932 0.020 2 893 428 82 PRO HD2 H 3.597 0.020 2 894 428 82 PRO HD3 H 3.791 0.020 2 895 428 82 PRO CA C 62.935 0.400 1 896 428 82 PRO CB C 31.980 0.400 1 897 428 82 PRO CG C 27.346 0.400 1 898 428 82 PRO CD C 50.535 0.400 1 899 429 83 ILE H H 7.971 0.020 1 900 429 83 ILE HA H 3.589 0.020 1 901 429 83 ILE HB H 0.943 0.020 1 902 429 83 ILE HG12 H 1.076 0.020 1 903 429 83 ILE HG13 H 0.887 0.020 1 904 429 83 ILE HG2 H -0.673 0.020 1 905 429 83 ILE HD1 H 0.427 0.020 1 906 429 83 ILE CA C 58.257 0.400 1 907 429 83 ILE CB C 36.834 0.400 1 908 429 83 ILE CG1 C 26.848 0.400 1 909 429 83 ILE CG2 C 16.133 0.400 1 910 429 83 ILE CD1 C 10.437 0.400 1 911 429 83 ILE N N 122.475 0.400 1 912 430 84 HIS H H 8.331 0.020 1 913 430 84 HIS HA H 4.561 0.020 1 914 430 84 HIS HB2 H 2.826 0.020 2 915 430 84 HIS HB3 H 2.959 0.020 2 916 430 84 HIS HD2 H 6.842 0.020 1 917 430 84 HIS C C 174.520 0.400 1 918 430 84 HIS CA C 54.317 0.400 1 919 430 84 HIS CB C 27.572 0.400 1 920 430 84 HIS CD2 C 119.111 0.400 1 921 430 84 HIS N N 127.083 0.400 1 922 431 85 TRP H H 7.281 0.020 1 923 431 85 TRP HA H 4.429 0.020 1 924 431 85 TRP HB2 H 2.573 0.020 1 925 431 85 TRP HB3 H 3.079 0.020 1 926 431 85 TRP HD1 H 7.054 0.020 1 927 431 85 TRP HE1 H 9.642 0.020 1 928 431 85 TRP HE3 H 7.400 0.020 1 929 431 85 TRP HZ2 H 7.066 0.020 1 930 431 85 TRP HZ3 H 7.720 0.020 1 931 431 85 TRP C C 176.822 0.400 1 932 431 85 TRP CA C 56.409 0.400 1 933 431 85 TRP CB C 31.328 0.400 1 934 431 85 TRP CD1 C 128.066 0.400 1 935 431 85 TRP CE3 C 119.710 0.400 1 936 431 85 TRP CZ2 C 113.723 0.400 1 937 431 85 TRP CZ3 C 122.296 0.400 1 938 431 85 TRP N N 121.510 0.400 1 939 431 85 TRP NE1 N 127.188 0.400 1 940 432 86 VAL H H 10.111 0.020 1 941 432 86 VAL HA H 3.986 0.020 1 942 432 86 VAL HB H 2.102 0.020 1 943 432 86 VAL HG1 H 0.821 0.020 2 944 432 86 VAL HG2 H 1.035 0.020 2 945 432 86 VAL C C 176.994 0.400 1 946 432 86 VAL CA C 63.019 0.400 1 947 432 86 VAL CB C 31.058 0.400 1 948 432 86 VAL CG1 C 21.031 0.400 1 949 432 86 VAL CG2 C 21.390 0.400 1 950 432 86 VAL N N 125.558 0.400 1 951 433 87 LEU H H 8.648 0.020 1 952 433 87 LEU HA H 4.454 0.020 1 953 433 87 LEU HB2 H 1.251 0.020 1 954 433 87 LEU HB3 H 1.667 0.020 1 955 433 87 LEU HG H 1.601 0.020 1 956 433 87 LEU HD1 H 0.800 0.020 2 957 433 87 LEU HD2 H 0.544 0.020 2 958 433 87 LEU CA C 52.182 0.400 1 959 433 87 LEU CB C 41.421 0.400 1 960 433 87 LEU CG C 26.205 0.400 1 961 433 87 LEU CD1 C 25.537 0.400 1 962 433 87 LEU CD2 C 23.331 0.400 1 963 433 87 LEU N N 131.040 0.400 1 964 434 88 PRO HA H 4.465 0.020 1 965 434 88 PRO HB2 H 2.440 0.020 1 966 434 88 PRO HB3 H 1.856 0.020 1 967 434 88 PRO HG2 H 1.946 0.020 1 968 434 88 PRO HG3 H 1.861 0.020 1 969 434 88 PRO HD2 H 3.599 0.020 1 970 434 88 PRO HD3 H 4.060 0.020 1 971 434 88 PRO C C 175.318 0.400 1 972 434 88 PRO CA C 61.780 0.400 1 973 434 88 PRO CB C 32.495 0.400 1 974 434 88 PRO CG C 28.398 0.400 1 975 434 88 PRO CD C 50.779 0.400 1 976 435 89 ALA H H 8.430 0.020 1 977 435 89 ALA HA H 4.101 0.020 1 978 435 89 ALA HB H 1.379 0.020 1 979 435 89 ALA CA C 53.801 0.400 1 980 435 89 ALA CB C 17.937 0.400 1 981 435 89 ALA N N 124.253 0.400 1 982 436 90 GLY H H 8.651 0.020 1 983 436 90 GLY HA2 H 3.631 0.020 2 984 436 90 GLY HA3 H 4.215 0.020 2 985 436 90 GLY C C 173.989 0.400 1 986 436 90 GLY CA C 45.132 0.400 1 987 436 90 GLY N N 110.835 0.400 1 988 437 91 MET H H 7.912 0.020 1 989 437 91 MET HA H 4.631 0.020 1 990 437 91 MET HB2 H 1.678 0.020 2 991 437 91 MET HB3 H 1.823 0.020 2 992 437 91 MET HG2 H 2.250 0.020 2 993 437 91 MET HG3 H 2.250 0.020 2 994 437 91 MET HE H 1.629 0.020 1 995 437 91 MET C C 174.776 0.400 1 996 437 91 MET CA C 55.293 0.400 1 997 437 91 MET CB C 34.209 0.400 1 998 437 91 MET CG C 32.857 0.400 1 999 437 91 MET CE C 17.648 0.400 1 1000 437 91 MET N N 120.075 0.400 1 1001 438 92 SER H H 7.761 0.020 1 1002 438 92 SER HA H 4.639 0.020 1 1003 438 92 SER HB2 H 3.792 0.020 2 1004 438 92 SER HB3 H 4.076 0.020 2 1005 438 92 SER CA C 56.132 0.400 1 1006 438 92 SER CB C 65.401 0.400 1 1007 438 92 SER N N 116.658 0.400 1 1008 439 93 ALA H H 8.866 0.020 1 1009 439 93 ALA HA H 3.895 0.020 1 1010 439 93 ALA HB H 1.440 0.020 1 1011 439 93 ALA CA C 54.959 0.400 1 1012 439 93 ALA CB C 17.885 0.400 1 1013 439 93 ALA N N 124.466 0.400 1 1014 440 94 LYS HA H 4.090 0.020 1 1015 440 94 LYS HB2 H 1.772 0.020 2 1016 440 94 LYS HB3 H 1.772 0.020 2 1017 440 94 LYS HG2 H 1.403 0.020 2 1018 440 94 LYS HG3 H 1.403 0.020 2 1019 440 94 LYS HD2 H 1.633 0.020 2 1020 440 94 LYS HD3 H 1.633 0.020 2 1021 440 94 LYS HE2 H 2.952 0.020 2 1022 440 94 LYS HE3 H 2.952 0.020 2 1023 440 94 LYS C C 178.368 0.400 1 1024 440 94 LYS CA C 57.505 0.400 1 1025 440 94 LYS CB C 31.982 0.400 1 1026 440 94 LYS CG C 24.608 0.400 1 1027 440 94 LYS CD C 29.065 0.400 1 1028 440 94 LYS CE C 41.911 0.400 1 1029 441 95 MET H H 7.576 0.020 1 1030 441 95 MET HA H 4.027 0.020 1 1031 441 95 MET HB2 H 2.551 0.020 2 1032 441 95 MET HB3 H 2.583 0.020 2 1033 441 95 MET HE H 2.106 0.020 1 1034 441 95 MET C C 174.546 0.400 1 1035 441 95 MET CA C 57.821 0.400 1 1036 441 95 MET CB C 32.662 0.400 1 1037 441 95 MET CE C 17.247 0.400 1 1038 441 95 MET N N 118.750 0.400 1 1039 442 96 LEU H H 6.724 0.020 1 1040 442 96 LEU HA H 4.370 0.020 1 1041 442 96 LEU HB2 H 1.171 0.020 2 1042 442 96 LEU HB3 H 1.334 0.020 2 1043 442 96 LEU HG H 0.970 0.020 1 1044 442 96 LEU HD1 H 0.029 0.020 2 1045 442 96 LEU HD2 H -0.097 0.020 2 1046 442 96 LEU C C 176.962 0.400 1 1047 442 96 LEU CA C 52.652 0.400 1 1048 442 96 LEU CB C 41.981 0.400 1 1049 442 96 LEU CG C 26.185 0.400 1 1050 442 96 LEU CD1 C 25.102 0.400 1 1051 442 96 LEU CD2 C 21.736 0.400 1 1052 442 96 LEU N N 115.410 0.400 1 1053 443 97 GLY H H 7.438 0.020 1 1054 443 97 GLY HA2 H 3.814 0.020 2 1055 443 97 GLY HA3 H 3.935 0.020 2 1056 443 97 GLY C C 174.610 0.400 1 1057 443 97 GLY CA C 46.079 0.400 1 1058 443 97 GLY N N 105.176 0.400 1 1059 444 98 GLY H H 8.304 0.020 1 1060 444 98 GLY HA2 H 2.779 0.020 1 1061 444 98 GLY HA3 H 3.214 0.020 1 1062 444 98 GLY CA C 44.137 0.400 1 1063 444 98 GLY N N 109.055 0.400 1 1064 445 99 VAL H H 8.420 0.020 1 1065 445 99 VAL HA H 4.364 0.020 1 1066 445 99 VAL HB H 1.846 0.020 1 1067 445 99 VAL HG1 H 0.910 0.020 2 1068 445 99 VAL HG2 H 0.910 0.020 2 1069 445 99 VAL C C 176.063 0.400 1 1070 445 99 VAL CA C 62.295 0.400 1 1071 445 99 VAL CB C 33.835 0.400 1 1072 445 99 VAL CG1 C 21.593 0.400 1 1073 445 99 VAL N N 125.230 0.400 1 1074 446 100 PHE H H 9.746 0.020 1 1075 446 100 PHE HA H 4.186 0.020 1 1076 446 100 PHE HB2 H 2.795 0.020 1 1077 446 100 PHE HB3 H 2.694 0.020 1 1078 446 100 PHE HD1 H 7.372 0.020 1 1079 446 100 PHE HD2 H 7.372 0.020 1 1080 446 100 PHE HE1 H 7.320 0.020 1 1081 446 100 PHE HE2 H 7.320 0.020 1 1082 446 100 PHE HZ H 7.532 0.020 1 1083 446 100 PHE C C 175.552 0.400 1 1084 446 100 PHE CA C 57.493 0.400 1 1085 446 100 PHE CB C 40.854 0.400 1 1086 446 100 PHE CD1 C 132.406 0.400 1 1087 446 100 PHE CE1 C 130.708 0.400 1 1088 446 100 PHE CZ C 130.308 0.400 1 1089 446 100 PHE N N 128.288 0.400 1 1090 447 101 LYS H H 7.908 0.020 1 1091 447 101 LYS HA H 4.824 0.020 1 1092 447 101 LYS HB2 H 1.549 0.020 1 1093 447 101 LYS HB3 H 1.744 0.020 1 1094 447 101 LYS HG2 H 1.420 0.020 2 1095 447 101 LYS HG3 H 1.591 0.020 2 1096 447 101 LYS HD2 H 1.683 0.020 2 1097 447 101 LYS HD3 H 1.683 0.020 2 1098 447 101 LYS HE2 H 2.956 0.020 2 1099 447 101 LYS HE3 H 2.956 0.020 2 1100 447 101 LYS C C 175.923 0.400 1 1101 447 101 LYS CA C 55.854 0.400 1 1102 447 101 LYS CB C 32.844 0.400 1 1103 447 101 LYS CG C 24.793 0.400 1 1104 447 101 LYS CD C 28.801 0.400 1 1105 447 101 LYS CE C 42.149 0.400 1 1106 447 101 LYS N N 121.242 0.400 1 1107 448 102 ILE H H 7.946 0.020 1 1108 448 102 ILE HA H 4.969 0.020 1 1109 448 102 ILE HB H 1.026 0.020 1 1110 448 102 ILE HG12 H 0.878 0.020 1 1111 448 102 ILE HG13 H 0.547 0.020 1 1112 448 102 ILE HG2 H 0.619 0.020 1 1113 448 102 ILE HD1 H 0.237 0.020 1 1114 448 102 ILE C C 173.097 0.400 1 1115 448 102 ILE CA C 58.813 0.400 1 1116 448 102 ILE CB C 41.425 0.400 1 1117 448 102 ILE CG1 C 24.579 0.400 1 1118 448 102 ILE CG2 C 18.227 0.400 1 1119 448 102 ILE CD1 C 14.904 0.400 1 1120 448 102 ILE N N 115.630 0.400 1 1121 449 103 ASP H H 8.754 0.020 1 1122 449 103 ASP HA H 4.996 0.020 1 1123 449 103 ASP HB2 H 2.428 0.020 2 1124 449 103 ASP HB3 H 2.625 0.020 2 1125 449 103 ASP C C 176.268 0.400 1 1126 449 103 ASP CA C 51.643 0.400 1 1127 449 103 ASP CB C 42.446 0.400 1 1128 449 103 ASP N N 121.577 0.400 1 1129 450 104 TRP H H 8.797 0.020 1 1130 450 104 TRP HA H 3.676 0.020 1 1131 450 104 TRP HB2 H 2.789 0.020 1 1132 450 104 TRP HB3 H 2.998 0.020 1 1133 450 104 TRP HD1 H 7.506 0.020 1 1134 450 104 TRP HE1 H 9.232 0.020 1 1135 450 104 TRP HE3 H 7.289 0.020 1 1136 450 104 TRP HZ2 H 6.278 0.020 1 1137 450 104 TRP HZ3 H 6.248 0.020 1 1138 450 104 TRP HH2 H 5.135 0.020 1 1139 450 104 TRP CA C 60.033 0.400 1 1140 450 104 TRP CB C 28.325 0.400 1 1141 450 104 TRP CD1 C 125.647 0.400 1 1142 450 104 TRP CE3 C 119.848 0.400 1 1143 450 104 TRP CZ2 C 113.433 0.400 1 1144 450 104 TRP CZ3 C 119.819 0.400 1 1145 450 104 TRP CH2 C 123.940 0.400 1 1146 450 104 TRP N N 125.397 0.400 1 1147 450 104 TRP NE1 N 129.617 0.400 1 1148 451 105 ILE H H 8.273 0.020 1 1149 451 105 ILE HA H 4.010 0.020 1 1150 451 105 ILE HB H 1.039 0.020 1 1151 451 105 ILE HG12 H 1.434 0.020 1 1152 451 105 ILE HG13 H 1.243 0.020 1 1153 451 105 ILE HG2 H 0.753 0.020 1 1154 451 105 ILE HD1 H 0.724 0.020 1 1155 451 105 ILE C C 175.318 0.400 1 1156 451 105 ILE CA C 60.491 0.400 1 1157 451 105 ILE CB C 37.701 0.400 1 1158 451 105 ILE CG1 C 27.257 0.400 1 1159 451 105 ILE CG2 C 18.836 0.400 1 1160 451 105 ILE CD1 C 12.084 0.400 1 1161 451 105 ILE N N 124.531 0.400 1 1162 452 106 CYS H H 7.285 0.020 1 1163 452 106 CYS HA H 4.628 0.020 1 1164 452 106 CYS HB2 H 1.576 0.020 2 1165 452 106 CYS HB3 H 2.293 0.020 2 1166 452 106 CYS C C 174.202 0.400 1 1167 452 106 CYS CA C 57.840 0.400 1 1168 452 106 CYS CB C 29.961 0.400 1 1169 452 106 CYS N N 117.664 0.400 1 1170 453 107 ARG H H 10.215 0.020 1 1171 453 107 ARG HA H 4.416 0.020 1 1172 453 107 ARG HB2 H 1.533 0.020 1 1173 453 107 ARG HB3 H 1.776 0.020 1 1174 453 107 ARG HG2 H 0.681 0.020 1 1175 453 107 ARG HG3 H 1.469 0.020 1 1176 453 107 ARG HD2 H 2.689 0.020 2 1177 453 107 ARG HD3 H 2.816 0.020 2 1178 453 107 ARG C C 174.678 0.400 1 1179 453 107 ARG CA C 55.640 0.400 1 1180 453 107 ARG CB C 30.220 0.400 1 1181 453 107 ARG CG C 28.404 0.400 1 1182 453 107 ARG CD C 43.059 0.400 1 1183 453 107 ARG N N 128.982 0.400 1 1184 454 108 ARG H H 7.945 0.020 1 1185 454 108 ARG HA H 4.356 0.020 1 1186 454 108 ARG HB2 H 1.802 0.020 2 1187 454 108 ARG HB3 H 1.991 0.020 2 1188 454 108 ARG HG2 H 1.743 0.020 2 1189 454 108 ARG HG3 H 1.743 0.020 2 1190 454 108 ARG HD2 H 3.202 0.020 2 1191 454 108 ARG HD3 H 3.202 0.020 2 1192 454 108 ARG C C 173.386 0.400 1 1193 454 108 ARG CA C 54.518 0.400 1 1194 454 108 ARG CB C 31.606 0.400 1 1195 454 108 ARG CG C 26.722 0.400 1 1196 454 108 ARG CD C 42.436 0.400 1 1197 454 108 ARG N N 120.916 0.400 1 1198 455 109 GLU H H 7.671 0.020 1 1199 455 109 GLU HA H 4.868 0.020 1 1200 455 109 GLU HB2 H 1.977 0.020 1 1201 455 109 GLU HB3 H 1.900 0.020 1 1202 455 109 GLU HG2 H 2.385 0.020 1 1203 455 109 GLU HG3 H 2.242 0.020 1 1204 455 109 GLU C C 176.634 0.400 1 1205 455 109 GLU CA C 54.720 0.400 1 1206 455 109 GLU CB C 32.356 0.400 1 1207 455 109 GLU CG C 36.988 0.400 1 1208 455 109 GLU N N 112.822 0.400 1 1209 456 110 LEU H H 8.453 0.020 1 1210 456 110 LEU HA H 4.853 0.020 1 1211 456 110 LEU HB2 H 0.268 0.020 1 1212 456 110 LEU HB3 H 1.320 0.020 1 1213 456 110 LEU HG H 1.316 0.020 1 1214 456 110 LEU HD1 H 0.139 0.020 2 1215 456 110 LEU HD2 H 0.663 0.020 2 1216 456 110 LEU CA C 51.287 0.400 1 1217 456 110 LEU CB C 46.628 0.400 1 1218 456 110 LEU CG C 25.701 0.400 1 1219 456 110 LEU CD1 C 26.788 0.400 1 1220 456 110 LEU CD2 C 25.107 0.400 1 1221 456 110 LEU N N 119.458 0.400 1 1222 457 111 PRO HA H 4.530 0.020 1 1223 457 111 PRO HB2 H 2.161 0.020 1 1224 457 111 PRO HB3 H 2.387 0.020 1 1225 457 111 PRO HG2 H 2.119 0.020 1 1226 457 111 PRO HG3 H 2.010 0.020 1 1227 457 111 PRO HD2 H 3.687 0.020 1 1228 457 111 PRO HD3 H 3.811 0.020 1 1229 457 111 PRO CA C 62.479 0.400 1 1230 457 111 PRO CB C 32.473 0.400 1 1231 457 111 PRO CG C 27.636 0.400 1 1232 457 111 PRO CD C 51.168 0.400 1 1233 458 112 PHE H H 8.320 0.020 1 1234 458 112 PHE HB2 H 3.005 0.020 2 1235 458 112 PHE HB3 H 3.140 0.020 2 1236 458 112 PHE CA C 55.691 0.400 1 1237 458 112 PHE CB C 36.917 0.400 1 1238 458 112 PHE N N 120.576 0.400 1 1239 459 113 THR HA H 4.079 0.020 1 1240 459 113 THR HB H 4.259 0.020 1 1241 459 113 THR HG2 H 1.338 0.020 1 1242 459 113 THR C C 177.026 0.400 1 1243 459 113 THR CA C 64.501 0.400 1 1244 459 113 THR CB C 67.918 0.400 1 1245 459 113 THR CG2 C 22.515 0.400 1 1246 460 114 LYS H H 7.579 0.020 1 1247 460 114 LYS HA H 4.454 0.020 1 1248 460 114 LYS HB2 H 1.938 0.020 2 1249 460 114 LYS HB3 H 1.938 0.020 2 1250 460 114 LYS HG2 H 1.486 0.020 2 1251 460 114 LYS HG3 H 1.604 0.020 2 1252 460 114 LYS HD2 H 1.673 0.020 2 1253 460 114 LYS HD3 H 1.741 0.020 2 1254 460 114 LYS HE2 H 3.001 0.020 2 1255 460 114 LYS HE3 H 3.001 0.020 2 1256 460 114 LYS C C 176.118 0.400 1 1257 460 114 LYS CA C 56.535 0.400 1 1258 460 114 LYS CB C 32.646 0.400 1 1259 460 114 LYS CG C 25.492 0.400 1 1260 460 114 LYS CD C 28.408 0.400 1 1261 460 114 LYS CE C 42.068 0.400 1 1262 460 114 LYS N N 118.182 0.400 1 1263 461 115 SER H H 7.909 0.020 1 1264 461 115 SER HA H 4.188 0.020 1 1265 461 115 SER HB2 H 3.200 0.020 1 1266 461 115 SER HB3 H 4.086 0.020 1 1267 461 115 SER C C 175.657 0.400 1 1268 461 115 SER CA C 57.480 0.400 1 1269 461 115 SER CB C 65.325 0.400 1 1270 461 115 SER N N 110.236 0.400 1 1271 462 116 ALA H H 7.239 0.020 1 1272 462 116 ALA HA H 4.195 0.020 1 1273 462 116 ALA HB H 1.520 0.020 1 1274 462 116 ALA C C 176.529 0.400 1 1275 462 116 ALA CA C 55.042 0.400 1 1276 462 116 ALA CB C 19.050 0.400 1 1277 462 116 ALA N N 125.683 0.400 1 1278 463 117 HIS H H 8.861 0.020 1 1279 463 117 HIS HA H 4.528 0.020 1 1280 463 117 HIS HB2 H 3.194 0.020 1 1281 463 117 HIS HB3 H 2.848 0.020 1 1282 463 117 HIS HD2 H 6.889 0.020 1 1283 463 117 HIS HE1 H 7.915 0.020 1 1284 463 117 HIS C C 175.092 0.400 1 1285 463 117 HIS CA C 56.056 0.400 1 1286 463 117 HIS CB C 29.834 0.400 1 1287 463 117 HIS CD2 C 117.878 0.400 1 1288 463 117 HIS CE1 C 138.684 0.400 1 1289 463 117 HIS N N 113.243 0.400 1 1290 464 118 LEU H H 7.357 0.020 1 1291 464 118 LEU HA H 4.412 0.020 1 1292 464 118 LEU HB2 H 1.579 0.020 1 1293 464 118 LEU HB3 H 0.998 0.020 1 1294 464 118 LEU HG H 0.200 0.020 1 1295 464 118 LEU HD1 H 0.520 0.020 2 1296 464 118 LEU HD2 H 0.565 0.020 2 1297 464 118 LEU C C 175.610 0.400 1 1298 464 118 LEU CA C 53.847 0.400 1 1299 464 118 LEU CB C 42.179 0.400 1 1300 464 118 LEU CG C 25.713 0.400 1 1301 464 118 LEU CD1 C 26.141 0.400 1 1302 464 118 LEU CD2 C 23.210 0.400 1 1303 464 118 LEU N N 122.985 0.400 1 1304 465 119 THR H H 8.111 0.020 1 1305 465 119 THR HA H 4.320 0.020 1 1306 465 119 THR HB H 3.607 0.020 1 1307 465 119 THR HG2 H 0.890 0.020 1 1308 465 119 THR C C 172.534 0.400 1 1309 465 119 THR CA C 58.703 0.400 1 1310 465 119 THR CB C 70.248 0.400 1 1311 465 119 THR CG2 C 21.677 0.400 1 1312 465 119 THR N N 114.363 0.400 1 1313 466 120 ASN H H 8.156 0.020 1 1314 466 120 ASN HA H 5.118 0.020 1 1315 466 120 ASN HB2 H 2.377 0.020 2 1316 466 120 ASN HB3 H 3.353 0.020 2 1317 466 120 ASN CA C 48.289 0.400 1 1318 466 120 ASN CB C 40.163 0.400 1 1319 466 120 ASN N N 116.730 0.400 1 1320 467 121 PRO HA H 3.151 0.020 1 1321 467 121 PRO HB2 H 1.713 0.020 1 1322 467 121 PRO HB3 H 2.255 0.020 1 1323 467 121 PRO HG2 H 1.637 0.020 1 1324 467 121 PRO HG3 H 1.898 0.020 1 1325 467 121 PRO HD2 H 4.296 0.020 1 1326 467 121 PRO HD3 H 3.685 0.020 1 1327 467 121 PRO C C 175.904 0.400 1 1328 467 121 PRO CA C 63.989 0.400 1 1329 467 121 PRO CB C 32.526 0.400 1 1330 467 121 PRO CG C 27.129 0.400 1 1331 467 121 PRO CD C 51.507 0.400 1 1332 468 122 TRP H H 7.018 0.020 1 1333 468 122 TRP HA H 5.066 0.020 1 1334 468 122 TRP HB2 H 2.979 0.020 1 1335 468 122 TRP HB3 H 3.417 0.020 1 1336 468 122 TRP HD1 H 6.760 0.020 1 1337 468 122 TRP HE1 H 10.361 0.020 1 1338 468 122 TRP HE3 H 7.009 0.020 1 1339 468 122 TRP HZ2 H 7.677 0.020 1 1340 468 122 TRP HZ3 H 7.093 0.020 1 1341 468 122 TRP HH2 H 7.338 0.020 1 1342 468 122 TRP C C 174.991 0.400 1 1343 468 122 TRP CA C 54.548 0.400 1 1344 468 122 TRP CB C 27.724 0.400 1 1345 468 122 TRP CD1 C 123.314 0.400 1 1346 468 122 TRP CE3 C 119.583 0.400 1 1347 468 122 TRP CZ2 C 114.731 0.400 1 1348 468 122 TRP CZ3 C 121.725 0.400 1 1349 468 122 TRP CH2 C 124.442 0.400 1 1350 468 122 TRP N N 114.797 0.400 1 1351 468 122 TRP NE1 N 129.415 0.400 1 1352 469 123 ASN H H 7.746 0.020 1 1353 469 123 ASN HA H 5.193 0.020 1 1354 469 123 ASN HB2 H 2.157 0.020 2 1355 469 123 ASN HB3 H 3.187 0.020 2 1356 469 123 ASN C C 174.466 0.400 1 1357 469 123 ASN CA C 51.313 0.400 1 1358 469 123 ASN CB C 37.523 0.400 1 1359 469 123 ASN N N 119.414 0.400 1 1360 470 124 GLU H H 8.640 0.020 1 1361 470 124 GLU HA H 3.829 0.020 1 1362 470 124 GLU HB2 H 1.971 0.020 2 1363 470 124 GLU HB3 H 2.256 0.020 2 1364 470 124 GLU HG2 H 2.145 0.020 2 1365 470 124 GLU HG3 H 2.145 0.020 2 1366 470 124 GLU C C 174.775 0.400 1 1367 470 124 GLU CA C 57.245 0.400 1 1368 470 124 GLU CB C 27.522 0.400 1 1369 470 124 GLU CG C 36.938 0.400 1 1370 470 124 GLU N N 113.846 0.400 1 1371 471 125 HIS H H 7.338 0.020 1 1372 471 125 HIS HA H 3.229 0.020 1 1373 471 125 HIS HB2 H 3.232 0.020 2 1374 471 125 HIS HB3 H 3.232 0.020 2 1375 471 125 HIS HD2 H 6.900 0.020 1 1376 471 125 HIS HE1 H 7.772 0.020 1 1377 471 125 HIS C C 174.348 0.400 1 1378 471 125 HIS CA C 58.844 0.400 1 1379 471 125 HIS CB C 27.130 0.400 1 1380 471 125 HIS CD2 C 118.426 0.400 1 1381 471 125 HIS CE1 C 137.994 0.400 1 1382 471 125 HIS N N 108.193 0.400 1 1383 472 126 LYS H H 7.445 0.020 1 1384 472 126 LYS HA H 4.452 0.020 1 1385 472 126 LYS HB2 H 1.669 0.020 2 1386 472 126 LYS HB3 H 2.019 0.020 2 1387 472 126 LYS HD2 H 1.563 0.020 2 1388 472 126 LYS HD3 H 1.597 0.020 2 1389 472 126 LYS HE2 H 2.874 0.020 2 1390 472 126 LYS HE3 H 2.874 0.020 2 1391 472 126 LYS CA C 55.697 0.400 1 1392 472 126 LYS CB C 31.936 0.400 1 1393 472 126 LYS CD C 29.791 0.400 1 1394 472 126 LYS N N 118.919 0.400 1 1395 473 127 PRO HA H 4.478 0.020 1 1396 473 127 PRO HB2 H 1.636 0.020 2 1397 473 127 PRO HB3 H 2.365 0.020 2 1398 473 127 PRO HD2 H 3.567 0.020 2 1399 473 127 PRO HD3 H 3.927 0.020 2 1400 473 127 PRO CA C 63.510 0.400 1 1401 473 127 PRO CB C 32.465 0.400 1 1402 473 127 PRO CD C 50.285 0.400 1 1403 474 128 VAL H H 8.191 0.020 1 1404 474 128 VAL HA H 3.903 0.020 1 1405 474 128 VAL HB H 1.489 0.020 1 1406 474 128 VAL HG1 H 0.795 0.020 2 1407 474 128 VAL HG2 H 0.841 0.020 2 1408 474 128 VAL C C 172.270 0.400 1 1409 474 128 VAL CA C 63.669 0.400 1 1410 474 128 VAL CB C 32.444 0.400 1 1411 474 128 VAL CG1 C 20.705 0.400 1 1412 474 128 VAL CG2 C 23.310 0.400 1 1413 474 128 VAL N N 123.919 0.400 1 1414 475 129 LYS H H 7.177 0.020 1 1415 475 129 LYS HA H 3.473 0.020 1 1416 475 129 LYS HB2 H -0.349 0.020 1 1417 475 129 LYS HB3 H 0.511 0.020 1 1418 475 129 LYS HG2 H 0.540 0.020 2 1419 475 129 LYS HG3 H 0.841 0.020 2 1420 475 129 LYS HD2 H 1.148 0.020 1 1421 475 129 LYS HD3 H 1.352 0.020 1 1422 475 129 LYS HE2 H 2.681 0.020 2 1423 475 129 LYS HE3 H 2.932 0.020 2 1424 475 129 LYS C C 175.108 0.400 1 1425 475 129 LYS CA C 57.277 0.400 1 1426 475 129 LYS CB C 28.773 0.400 1 1427 475 129 LYS CG C 24.299 0.400 1 1428 475 129 LYS CD C 29.968 0.400 1 1429 475 129 LYS CE C 42.188 0.400 1 1430 475 129 LYS N N 113.288 0.400 1 1431 476 130 ILE H H 8.219 0.020 1 1432 476 130 ILE HA H 3.707 0.020 1 1433 476 130 ILE HB H 1.806 0.020 1 1434 476 130 ILE HG12 H 0.882 0.020 2 1435 476 130 ILE HG13 H 1.450 0.020 2 1436 476 130 ILE HG2 H 0.720 0.020 1 1437 476 130 ILE HD1 H 0.960 0.020 1 1438 476 130 ILE C C 175.026 0.400 1 1439 476 130 ILE CA C 61.678 0.400 1 1440 476 130 ILE CB C 37.094 0.400 1 1441 476 130 ILE CG1 C 27.869 0.400 1 1442 476 130 ILE CG2 C 16.869 0.400 1 1443 476 130 ILE CD1 C 13.855 0.400 1 1444 476 130 ILE N N 121.770 0.400 1 1445 477 131 GLY H H 7.560 0.020 1 1446 477 131 GLY HA2 H 3.840 0.020 1 1447 477 131 GLY HA3 H 3.794 0.020 1 1448 477 131 GLY C C 172.130 0.400 1 1449 477 131 GLY CA C 45.654 0.400 1 1450 477 131 GLY N N 113.319 0.400 1 1451 478 132 ARG H H 8.633 0.020 1 1452 478 132 ARG HA H 4.394 0.020 1 1453 478 132 ARG HB2 H 1.669 0.020 1 1454 478 132 ARG HB3 H 1.973 0.020 1 1455 478 132 ARG HG2 H 1.459 0.020 1 1456 478 132 ARG HG3 H 1.506 0.020 1 1457 478 132 ARG HD2 H 2.872 0.020 2 1458 478 132 ARG HD3 H 3.224 0.020 2 1459 478 132 ARG C C 175.161 0.400 1 1460 478 132 ARG CA C 54.102 0.400 1 1461 478 132 ARG CB C 31.940 0.400 1 1462 478 132 ARG CG C 26.489 0.400 1 1463 478 132 ARG CD C 43.226 0.400 1 1464 478 132 ARG N N 123.835 0.400 1 1465 479 133 ASP H H 9.024 0.020 1 1466 479 133 ASP HA H 4.117 0.020 1 1467 479 133 ASP HB2 H 2.617 0.020 2 1468 479 133 ASP HB3 H 2.718 0.020 2 1469 479 133 ASP C C 178.271 0.400 1 1470 479 133 ASP CA C 56.800 0.400 1 1471 479 133 ASP CB C 44.009 0.400 1 1472 479 133 ASP N N 118.261 0.400 1 1473 480 134 GLY H H 9.769 0.020 1 1474 480 134 GLY HA2 H 3.180 0.020 2 1475 480 134 GLY HA3 H 4.243 0.020 2 1476 480 134 GLY C C 173.823 0.400 1 1477 480 134 GLY CA C 45.333 0.400 1 1478 480 134 GLY N N 118.424 0.400 1 1479 481 135 GLN H H 8.226 0.020 1 1480 481 135 GLN HA H 3.951 0.020 1 1481 481 135 GLN HB2 H 2.508 0.020 1 1482 481 135 GLN HB3 H 1.996 0.020 1 1483 481 135 GLN HG2 H 1.996 0.020 2 1484 481 135 GLN HG3 H 2.245 0.020 2 1485 481 135 GLN HE21 H 6.696 0.020 2 1486 481 135 GLN HE22 H 8.834 0.020 2 1487 481 135 GLN C C 174.972 0.400 1 1488 481 135 GLN CA C 56.047 0.400 1 1489 481 135 GLN CB C 29.422 0.400 1 1490 481 135 GLN CG C 32.968 0.400 1 1491 481 135 GLN N N 122.776 0.400 1 1492 481 135 GLN NE2 N 117.270 0.400 1 1493 482 136 GLU H H 9.098 0.020 1 1494 482 136 GLU HA H 4.449 0.020 1 1495 482 136 GLU HG2 H 2.014 0.020 2 1496 482 136 GLU HG3 H 2.280 0.020 2 1497 482 136 GLU C C 177.101 0.400 1 1498 482 136 GLU CA C 56.839 0.400 1 1499 482 136 GLU CG C 37.352 0.400 1 1500 482 136 GLU N N 130.376 0.400 1 1501 483 137 ILE H H 8.444 0.020 1 1502 483 137 ILE HA H 3.918 0.020 1 1503 483 137 ILE HB H 1.108 0.020 1 1504 483 137 ILE HG12 H 0.569 0.020 1 1505 483 137 ILE HG13 H 1.435 0.020 1 1506 483 137 ILE HG2 H 0.455 0.020 1 1507 483 137 ILE HD1 H 0.477 0.020 1 1508 483 137 ILE C C 173.089 0.400 1 1509 483 137 ILE CA C 60.178 0.400 1 1510 483 137 ILE CB C 39.723 0.400 1 1511 483 137 ILE CG1 C 26.363 0.400 1 1512 483 137 ILE CG2 C 17.477 0.400 1 1513 483 137 ILE CD1 C 14.117 0.400 1 1514 483 137 ILE N N 126.412 0.400 1 1515 484 138 GLU H H 6.121 0.020 1 1516 484 138 GLU HA H 1.320 0.020 1 1517 484 138 GLU HB2 H -0.135 0.020 1 1518 484 138 GLU HB3 H 1.615 0.020 1 1519 484 138 GLU HG2 H 1.515 0.020 2 1520 484 138 GLU HG3 H 1.803 0.020 2 1521 484 138 GLU C C 173.486 0.400 1 1522 484 138 GLU CA C 57.090 0.400 1 1523 484 138 GLU CB C 29.351 0.400 1 1524 484 138 GLU CG C 35.159 0.400 1 1525 484 138 GLU N N 129.557 0.400 1 1526 485 139 LEU H H 5.797 0.020 1 1527 485 139 LEU HA H 3.889 0.020 1 1528 485 139 LEU HB2 H 1.624 0.020 1 1529 485 139 LEU HB3 H 1.986 0.020 1 1530 485 139 LEU HG H 1.618 0.020 1 1531 485 139 LEU HD1 H 1.181 0.020 2 1532 485 139 LEU HD2 H 1.014 0.020 2 1533 485 139 LEU C C 178.027 0.400 1 1534 485 139 LEU CA C 59.850 0.400 1 1535 485 139 LEU CB C 43.257 0.400 1 1536 485 139 LEU CG C 26.901 0.400 1 1537 485 139 LEU CD1 C 24.449 0.400 1 1538 485 139 LEU CD2 C 25.574 0.400 1 1539 485 139 LEU N N 123.598 0.400 1 1540 486 140 GLU H H 8.935 0.020 1 1541 486 140 GLU HA H 3.879 0.020 1 1542 486 140 GLU HB2 H 2.066 0.020 1 1543 486 140 GLU HB3 H 2.118 0.020 1 1544 486 140 GLU HG2 H 2.250 0.020 1 1545 486 140 GLU HG3 H 2.170 0.020 1 1546 486 140 GLU C C 178.236 0.400 1 1547 486 140 GLU CA C 59.841 0.400 1 1548 486 140 GLU CB C 28.316 0.400 1 1549 486 140 GLU CG C 35.929 0.400 1 1550 486 140 GLU N N 123.325 0.400 1 1551 487 141 CYS H H 8.172 0.020 1 1552 487 141 CYS HA H 3.757 0.020 1 1553 487 141 CYS HB2 H 2.561 0.020 1 1554 487 141 CYS HB3 H 2.843 0.020 1 1555 487 141 CYS C C 175.782 0.400 1 1556 487 141 CYS CA C 61.972 0.400 1 1557 487 141 CYS CB C 25.537 0.400 1 1558 487 141 CYS N N 121.625 0.400 1 1559 488 142 GLY H H 8.561 0.020 1 1560 488 142 GLY HA2 H 2.545 0.020 1 1561 488 142 GLY HA3 H 1.661 0.020 1 1562 488 142 GLY C C 174.061 0.400 1 1563 488 142 GLY CA C 45.594 0.400 1 1564 488 142 GLY N N 105.717 0.400 1 1565 489 143 THR H H 7.586 0.020 1 1566 489 143 THR HA H 3.298 0.020 1 1567 489 143 THR HB H 4.159 0.020 1 1568 489 143 THR HG2 H 1.071 0.020 1 1569 489 143 THR C C 175.097 0.400 1 1570 489 143 THR CA C 67.528 0.400 1 1571 489 143 THR CB C 68.747 0.400 1 1572 489 143 THR CG2 C 20.144 0.400 1 1573 489 143 THR N N 118.467 0.400 1 1574 490 144 GLN H H 7.846 0.020 1 1575 490 144 GLN HA H 3.647 0.020 1 1576 490 144 GLN HB2 H 1.922 0.020 2 1577 490 144 GLN HB3 H 1.922 0.020 2 1578 490 144 GLN HG2 H 2.355 0.020 1 1579 490 144 GLN HG3 H 2.471 0.020 1 1580 490 144 GLN HE21 H 7.409 0.020 1 1581 490 144 GLN HE22 H 6.700 0.020 1 1582 490 144 GLN C C 178.779 0.400 1 1583 490 144 GLN CA C 58.612 0.400 1 1584 490 144 GLN CB C 28.322 0.400 1 1585 490 144 GLN CG C 34.055 0.400 1 1586 490 144 GLN N N 117.225 0.400 1 1587 490 144 GLN NE2 N 112.608 0.400 1 1588 491 145 LEU H H 8.188 0.020 1 1589 491 145 LEU HA H 3.643 0.020 1 1590 491 145 LEU HB2 H 1.700 0.020 1 1591 491 145 LEU HB3 H 1.035 0.020 1 1592 491 145 LEU HG H 1.079 0.020 1 1593 491 145 LEU HD1 H 0.236 0.020 2 1594 491 145 LEU HD2 H 0.345 0.020 2 1595 491 145 LEU C C 178.354 0.400 1 1596 491 145 LEU CA C 57.801 0.400 1 1597 491 145 LEU CB C 41.620 0.400 1 1598 491 145 LEU CG C 26.822 0.400 1 1599 491 145 LEU CD1 C 26.111 0.400 1 1600 491 145 LEU CD2 C 22.871 0.400 1 1601 491 145 LEU N N 120.185 0.400 1 1602 492 146 CYS H H 7.647 0.020 1 1603 492 146 CYS HA H 3.681 0.020 1 1604 492 146 CYS HB2 H 1.765 0.020 2 1605 492 146 CYS HB3 H 2.567 0.020 2 1606 492 146 CYS C C 177.797 0.400 1 1607 492 146 CYS CA C 64.202 0.400 1 1608 492 146 CYS CB C 27.535 0.400 1 1609 492 146 CYS N N 115.095 0.400 1 1610 493 147 LEU H H 7.649 0.020 1 1611 493 147 LEU HA H 4.119 0.020 1 1612 493 147 LEU HB2 H 1.530 0.020 2 1613 493 147 LEU HB3 H 1.741 0.020 2 1614 493 147 LEU HG H 1.774 0.020 1 1615 493 147 LEU HD1 H 0.722 0.020 2 1616 493 147 LEU HD2 H 0.766 0.020 2 1617 493 147 LEU C C 177.479 0.400 1 1618 493 147 LEU CA C 56.568 0.400 1 1619 493 147 LEU CB C 41.404 0.400 1 1620 493 147 LEU CG C 26.558 0.400 1 1621 493 147 LEU CD1 C 25.537 0.400 1 1622 493 147 LEU CD2 C 22.414 0.400 1 1623 493 147 LEU N N 117.907 0.400 1 1624 494 148 LEU H H 7.559 0.020 1 1625 494 148 LEU HA H 4.210 0.020 1 1626 494 148 LEU HB2 H 2.048 0.020 1 1627 494 148 LEU HB3 H 1.298 0.020 1 1628 494 148 LEU HG H 2.022 0.020 1 1629 494 148 LEU HD1 H 0.921 0.020 2 1630 494 148 LEU HD2 H 0.849 0.020 2 1631 494 148 LEU C C 178.155 0.400 1 1632 494 148 LEU CA C 55.649 0.400 1 1633 494 148 LEU CB C 43.837 0.400 1 1634 494 148 LEU CG C 25.808 0.400 1 1635 494 148 LEU CD1 C 23.009 0.400 1 1636 494 148 LEU CD2 C 26.542 0.400 1 1637 494 148 LEU N N 118.457 0.400 1 1638 495 149 PHE H H 7.297 0.020 1 1639 495 149 PHE HA H 4.249 0.020 1 1640 495 149 PHE HB2 H 3.273 0.020 1 1641 495 149 PHE HB3 H 3.469 0.020 1 1642 495 149 PHE HD1 H 7.694 0.020 1 1643 495 149 PHE HD2 H 7.694 0.020 1 1644 495 149 PHE HE1 H 6.973 0.020 1 1645 495 149 PHE HE2 H 6.973 0.020 1 1646 495 149 PHE HZ H 6.886 0.020 1 1647 495 149 PHE CA C 58.019 0.400 1 1648 495 149 PHE CB C 38.803 0.400 1 1649 495 149 PHE CD1 C 133.793 0.400 1 1650 495 149 PHE CE1 C 130.748 0.400 1 1651 495 149 PHE CZ C 128.026 0.400 1 1652 495 149 PHE N N 117.017 0.400 1 1653 496 150 PRO HA H 4.790 0.020 1 1654 496 150 PRO HB2 H 2.393 0.020 1 1655 496 150 PRO HB3 H 1.832 0.020 1 1656 496 150 PRO HG2 H 2.096 0.020 1 1657 496 150 PRO HG3 H 2.194 0.020 1 1658 496 150 PRO HD2 H 3.555 0.020 2 1659 496 150 PRO HD3 H 3.808 0.020 2 1660 496 150 PRO CA C 60.936 0.400 1 1661 496 150 PRO CB C 30.646 0.400 1 1662 496 150 PRO CG C 27.532 0.400 1 1663 496 150 PRO CD C 50.259 0.400 1 1664 497 151 PRO HA H 4.487 0.020 1 1665 497 151 PRO HB2 H 1.928 0.020 1 1666 497 151 PRO HB3 H 2.322 0.020 1 1667 497 151 PRO HG2 H 2.053 0.020 2 1668 497 151 PRO HG3 H 2.053 0.020 2 1669 497 151 PRO HD2 H 3.865 0.020 1 1670 497 151 PRO HD3 H 3.624 0.020 1 1671 497 151 PRO C C 177.429 0.400 1 1672 497 151 PRO CA C 62.386 0.400 1 1673 497 151 PRO CB C 32.199 0.400 1 1674 497 151 PRO CG C 27.503 0.400 1 1675 497 151 PRO CD C 50.100 0.400 1 1676 498 152 ASP H H 8.708 0.020 1 1677 498 152 ASP HA H 4.560 0.020 1 1678 498 152 ASP HB2 H 2.575 0.020 2 1679 498 152 ASP HB3 H 2.812 0.020 2 1680 498 152 ASP C C 176.583 0.400 1 1681 498 152 ASP CA C 55.116 0.400 1 1682 498 152 ASP CB C 42.236 0.400 1 1683 498 152 ASP N N 122.191 0.400 1 1684 499 153 GLU H H 8.590 0.020 1 1685 499 153 GLU HA H 4.330 0.020 1 1686 499 153 GLU HB2 H 1.932 0.020 1 1687 499 153 GLU HB3 H 2.079 0.020 1 1688 499 153 GLU HG2 H 2.242 0.020 2 1689 499 153 GLU HG3 H 2.242 0.020 2 1690 499 153 GLU C C 176.304 0.400 1 1691 499 153 GLU CA C 56.341 0.400 1 1692 499 153 GLU CB C 30.082 0.400 1 1693 499 153 GLU CG C 36.314 0.400 1 1694 499 153 GLU N N 120.236 0.400 1 1695 500 154 SER H H 8.297 0.020 1 1696 500 154 SER HA H 4.442 0.020 1 1697 500 154 SER HB2 H 3.853 0.020 2 1698 500 154 SER HB3 H 3.853 0.020 2 1699 500 154 SER C C 174.292 0.400 1 1700 500 154 SER CA C 58.382 0.400 1 1701 500 154 SER CB C 63.744 0.400 1 1702 500 154 SER N N 116.795 0.400 1 1703 501 155 ILE H H 8.053 0.020 1 1704 501 155 ILE HA H 4.231 0.020 1 1705 501 155 ILE HB H 1.890 0.020 1 1706 501 155 ILE HG12 H 1.122 0.020 1 1707 501 155 ILE HG13 H 1.346 0.020 1 1708 501 155 ILE HG2 H 0.896 0.020 1 1709 501 155 ILE HD1 H 0.807 0.020 1 1710 501 155 ILE C C 175.043 0.400 1 1711 501 155 ILE CA C 60.977 0.400 1 1712 501 155 ILE CB C 38.957 0.400 1 1713 501 155 ILE CG1 C 26.987 0.400 1 1714 501 155 ILE CG2 C 17.506 0.400 1 1715 501 155 ILE CD1 C 13.125 0.400 1 1716 501 155 ILE N N 121.975 0.400 1 1717 502 156 ASP H H 7.884 0.020 1 1718 502 156 ASP HA H 4.362 0.020 1 1719 502 156 ASP HB2 H 2.526 0.020 2 1720 502 156 ASP HB3 H 2.626 0.020 2 1721 502 156 ASP CA C 55.766 0.400 1 1722 502 156 ASP CB C 42.255 0.400 1 1723 502 156 ASP N N 129.025 0.400 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '2D 1H -1H NOESY 13C F1-filtered F2-filtered' '2D 1H -1H NOESY 13C15N F2-filtered' stop_ loop_ _Sample_label $sample_3 $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name "RNA (5'-R(*UP*GP*(6MA)P*CP*AP*C)-3')" _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 1 157 1 U H1' H 5.867 0.020 1 2 157 1 U H2' H 4.501 0.020 1 3 157 1 U H3' H 4.224 0.020 1 4 157 1 U H4' H 4.096 0.020 1 5 157 1 U H5 H 5.856 0.020 1 6 157 1 U H5' H 3.259 0.020 2 7 157 1 U H5'' H 3.540 0.020 2 8 157 1 U H6 H 7.756 0.020 1 9 157 1 U C1' C 90.630 0.400 1 10 157 1 U C2' C 76.980 0.400 1 11 157 1 U C3' C 75.892 0.400 1 12 157 1 U C4' C 86.547 0.400 1 13 157 1 U C5 C 105.428 0.400 1 14 157 1 U C5' C 63.255 0.400 1 15 157 1 U C6 C 144.224 0.400 1 16 158 2 G H1' H 5.915 0.020 1 17 158 2 G H2' H 4.479 0.020 1 18 158 2 G H3' H 5.347 0.020 1 19 158 2 G H4' H 4.473 0.020 1 20 158 2 G H5' H 4.103 0.020 2 21 158 2 G H5'' H 4.315 0.020 2 22 158 2 G H8 H 7.951 0.020 1 23 158 2 G C1' C 91.610 0.400 1 24 158 2 G C2' C 77.345 0.400 1 25 158 2 G C3' C 76.786 0.400 1 26 158 2 G C4' C 84.116 0.400 1 27 158 2 G C8 C 140.945 0.400 1 28 159 3 6MZ C1' C 90.514 0.400 1 29 159 3 6MZ C2 C 155.654 0.400 1 30 159 3 6MZ C3' C 75.687 0.400 1 31 159 3 6MZ C4' C 83.929 0.400 1 32 159 3 6MZ C8 C 143.551 0.400 1 33 159 3 6MZ H1' H 5.876 0.020 1 34 159 3 6MZ H2 H 8.219 0.020 1 35 159 3 6MZ H2' H 4.205 0.020 1 36 159 3 6MZ H3' H 4.583 0.020 1 37 159 3 6MZ H4' H 4.368 0.020 1 38 159 3 6MZ H5'1 H 4.052 0.020 2 39 159 3 6MZ H5'2 H 4.594 0.020 2 40 159 3 6MZ H6 H 6.606 0.020 1 41 159 3 6MZ H8 H 8.319 0.020 1 42 159 3 6MZ H9 H 0.678 0.020 1 43 159 3 6MZ H9C1 H 0.678 0.020 1 44 159 3 6MZ H9C2 H 0.678 0.020 1 45 160 4 C H1' H 5.633 0.020 1 46 160 4 C H2' H 3.340 0.020 1 47 160 4 C H3' H 4.377 0.020 1 48 160 4 C H4' H 4.682 0.020 1 49 160 4 C H5 H 5.853 0.020 1 50 160 4 C H5' H 4.000 0.020 2 51 160 4 C H5'' H 4.552 0.020 2 52 160 4 C H6 H 7.258 0.020 1 53 160 4 C C2' C 76.502 0.400 1 54 160 4 C C3' C 75.500 0.400 1 55 160 4 C C4' C 83.118 0.400 1 56 160 4 C C5 C 99.146 0.400 1 57 160 4 C C6 C 142.371 0.400 1 58 161 5 A H1' H 6.058 0.020 1 59 161 5 A H2 H 8.136 0.020 1 60 161 5 A H2' H 4.459 0.020 1 61 161 5 A H3' H 5.057 0.020 1 62 161 5 A H4' H 3.791 0.020 1 63 161 5 A H5' H 4.171 0.020 2 64 161 5 A H5'' H 4.800 0.020 2 65 161 5 A H8 H 8.362 0.020 1 66 161 5 A C1' C 92.202 0.400 1 67 161 5 A C2 C 155.840 0.400 1 68 161 5 A C2' C 76.355 0.400 1 69 161 5 A C3' C 72.805 0.400 1 70 161 5 A C4' C 83.679 0.400 1 71 161 5 A C8 C 141.073 0.400 1 72 162 6 C H1' H 5.636 0.020 1 73 162 6 C H2' H 4.105 0.020 1 74 162 6 C H3' H 4.214 0.020 1 75 162 6 C H4' H 4.107 0.020 1 76 162 6 C H5 H 5.899 0.020 1 77 162 6 C H6 H 7.638 0.020 1 78 162 6 C C2' C 76.670 0.400 1 79 162 6 C C4' C 84.023 0.400 1 80 162 6 C C5 C 98.991 0.400 1 81 162 6 C C6 C 142.768 0.400 1 stop_ save_