data_34429 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Mouse RBM20 RRM domain ; _BMRB_accession_number 34429 _BMRB_flat_file_name bmr34429.str _Entry_type original _Submission_date 2019-08-29 _Accession_date 2019-08-29 _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 Mackereth C. D. . 2 Upadhyay S. K. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 683 "13C chemical shifts" 518 "15N chemical shifts" 119 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-08-16 update BMRB 'update entry citation' 2019-11-01 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 34428 'Mouse RBM20 RRM domain in complex with AUCUUA RNA' stop_ _Original_release_date 2019-10-25 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural basis of UCUU RNA motif recognition by splicing factor RBM20 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32187365 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Upadhyay 'Santosh Kumar' K. . 2 Mackereth Cameron D. . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _Journal_volume 48 _Journal_issue 8 _Journal_ISSN 1362-4962 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4538 _Page_last 4550 _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RNA-binding protein 20' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _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 12571.588 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 112 _Mol_residue_sequence ; GAMAQRKGAGRVVHICNLPE GSCTENDVINLGLPFGKVTN YILMKSTNQAFLEMAYTEAA QAMVQYYQEKPAIINGEKLL IRMSTRYKELQLKKPGKNVA AIIQDIHSQRER ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 510 GLY 2 511 ALA 3 512 MET 4 513 ALA 5 514 GLN 6 515 ARG 7 516 LYS 8 517 GLY 9 518 ALA 10 519 GLY 11 520 ARG 12 521 VAL 13 522 VAL 14 523 HIS 15 524 ILE 16 525 CYS 17 526 ASN 18 527 LEU 19 528 PRO 20 529 GLU 21 530 GLY 22 531 SER 23 532 CYS 24 533 THR 25 534 GLU 26 535 ASN 27 536 ASP 28 537 VAL 29 538 ILE 30 539 ASN 31 540 LEU 32 541 GLY 33 542 LEU 34 543 PRO 35 544 PHE 36 545 GLY 37 546 LYS 38 547 VAL 39 548 THR 40 549 ASN 41 550 TYR 42 551 ILE 43 552 LEU 44 553 MET 45 554 LYS 46 555 SER 47 556 THR 48 557 ASN 49 558 GLN 50 559 ALA 51 560 PHE 52 561 LEU 53 562 GLU 54 563 MET 55 564 ALA 56 565 TYR 57 566 THR 58 567 GLU 59 568 ALA 60 569 ALA 61 570 GLN 62 571 ALA 63 572 MET 64 573 VAL 65 574 GLN 66 575 TYR 67 576 TYR 68 577 GLN 69 578 GLU 70 579 LYS 71 580 PRO 72 581 ALA 73 582 ILE 74 583 ILE 75 584 ASN 76 585 GLY 77 586 GLU 78 587 LYS 79 588 LEU 80 589 LEU 81 590 ILE 82 591 ARG 83 592 MET 84 593 SER 85 594 THR 86 595 ARG 87 596 TYR 88 597 LYS 89 598 GLU 90 599 LEU 91 600 GLN 92 601 LEU 93 602 LYS 94 603 LYS 95 604 PRO 96 605 GLY 97 606 LYS 98 607 ASN 99 608 VAL 100 609 ALA 101 610 ALA 102 611 ILE 103 612 ILE 104 613 GLN 105 614 ASP 106 615 ILE 107 616 HIS 108 617 SER 109 618 GLN 110 619 ARG 111 620 GLU 112 621 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 'House mouse' 10090 Eukaryota Metazoa Mus musculus Rbm20 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 $entity_1 'recombinant technology' . . . . lysY pET-His1a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '400 uM [U-99% 13C; U-99% 15N] Mouse RBM20 RRM domain, 20 mM sodium phosphate, 50 mM sodium chloride, 2 mM DTT, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 400 uM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '500 uM Mouse RBM20 RRM domain, 20 mM sodium phosphate, 50 mM sodium chloride, 2 mM DTT, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 500 uM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '170 uM [U-99% 13C] Mouse RBM20 RRM domain, 20 mM sodium phosphate, 50 mM sodium chloride, 2 mM DTT, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 170 uM '[U-99% 13C]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details '100 uM [U-10% 13C; U-99% 15N] Mouse RBM20 RRM domain, 20 mM sodium phosphate, 50 mM sodium chloride, 2 mM DTT, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 100 uM '[U-10% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TopSpin _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name Sparky _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE NEO' _Field_strength 700 _Details TXI save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 800 _Details 'cryoprobe TCI' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_3D_H(C)(CO)NH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(C)(CO)NH-TOCSY' _Sample_label $sample_1 save_ save_3D_(H)C(CO)NH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)C(CO)NH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_CT_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC CT' _Sample_label $sample_4 save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_3 save_ save_2D_1H-1H_NOESY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 70 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HN(CA)CO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '2D 1H-13C HSQC aliphatic' '3D H(C)(CO)NH-TOCSY' '3D (H)C(CO)NH-TOCSY' '3D HCCH-TOCSY' '2D 1H-13C HSQC CT' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '2D 1H-13C HSQC aromatic' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 $sample_4 $sample_3 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_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 1 511 2 ALA HA H 4.286 0.02 1 2 511 2 ALA HB H 1.375 0.02 1 3 511 2 ALA C C 177.913 0.2 1 4 511 2 ALA CA C 52.652 0.2 1 5 511 2 ALA CB C 19.312 0.2 1 6 512 3 MET H H 8.491 0.02 1 7 512 3 MET HA H 4.423 0.02 1 8 512 3 MET HB2 H 2.071 0.02 2 9 512 3 MET HB3 H 2.009 0.02 2 10 512 3 MET HG2 H 2.607 0.02 2 11 512 3 MET HG3 H 2.55 0.02 2 12 512 3 MET HE H 2.102 0.02 1 13 512 3 MET C C 176.098 0.2 1 14 512 3 MET CA C 55.598 0.2 1 15 512 3 MET CB C 32.772 0.2 1 16 512 3 MET CG C 32.072 0.2 1 17 512 3 MET CE C 17.023 0.2 1 18 512 3 MET N N 120.138 0.2 1 19 513 4 ALA H H 8.359 0.02 1 20 513 4 ALA HA H 4.277 0.02 1 21 513 4 ALA HB H 1.377 0.02 1 22 513 4 ALA C C 177.653 0.2 1 23 513 4 ALA CA C 52.659 0.2 1 24 513 4 ALA CB C 19.124 0.2 1 25 513 4 ALA N N 125.646 0.2 1 26 514 5 GLN H H 8.349 0.02 1 27 514 5 GLN HA H 4.315 0.02 1 28 514 5 GLN HB2 H 1.979 0.02 1 29 514 5 GLN HB3 H 1.979 0.02 1 30 514 5 GLN HG2 H 2.362 0.02 1 31 514 5 GLN HG3 H 2.362 0.02 1 32 514 5 GLN HE21 H 7.545 0.02 2 33 514 5 GLN HE22 H 6.84 0.02 2 34 514 5 GLN C C 176.022 0.2 1 35 514 5 GLN CA C 55.897 0.2 1 36 514 5 GLN CB C 29.48 0.2 1 37 514 5 GLN CG C 33.865 0.2 1 38 514 5 GLN CD C 180.4 0.2 1 39 514 5 GLN N N 119.867 0.2 1 40 514 5 GLN NE2 N 112.5 0.2 1 41 515 6 ARG H H 8.428 0.02 1 42 515 6 ARG HA H 4.325 0.02 1 43 515 6 ARG HB2 H 1.771 0.02 2 44 515 6 ARG HB3 H 1.859 0.02 2 45 515 6 ARG HG2 H 1.629 0.02 1 46 515 6 ARG HG3 H 1.629 0.02 1 47 515 6 ARG HD2 H 3.19 0.02 1 48 515 6 ARG HD3 H 3.19 0.02 1 49 515 6 ARG C C 176.243 0.2 1 50 515 6 ARG CA C 56.174 0.2 1 51 515 6 ARG CB C 30.877 0.2 1 52 515 6 ARG CG C 27.077 0.2 1 53 515 6 ARG CD C 43.391 0.2 1 54 515 6 ARG N N 122.959 0.2 1 55 516 7 LYS H H 8.45 0.02 1 56 516 7 LYS HA H 4.324 0.02 1 57 516 7 LYS HB2 H 1.839 0.02 1 58 516 7 LYS HB3 H 1.839 0.02 1 59 516 7 LYS HG2 H 1.438 0.02 1 60 516 7 LYS HG3 H 1.438 0.02 1 61 516 7 LYS HD2 H 1.637 0.02 1 62 516 7 LYS HD3 H 1.637 0.02 1 63 516 7 LYS HE2 H 2.991 0.02 1 64 516 7 LYS HE3 H 2.991 0.02 1 65 516 7 LYS C C 177.123 0.2 1 66 516 7 LYS CA C 56.482 0.2 1 67 516 7 LYS CB C 33.04 0.2 1 68 516 7 LYS CG C 24.898 0.2 1 69 516 7 LYS CD C 28.935 0.2 1 70 516 7 LYS CE C 42.264 0.2 1 71 516 7 LYS N N 123.016 0.2 1 72 517 8 GLY H H 8.486 0.02 1 73 517 8 GLY HA2 H 3.956 0.02 1 74 517 8 GLY HA3 H 3.956 0.02 1 75 517 8 GLY C C 173.614 0.2 1 76 517 8 GLY CA C 45.283 0.2 1 77 517 8 GLY N N 110.254 0.2 1 78 518 9 ALA H H 8.114 0.02 1 79 518 9 ALA HA H 4.39 0.02 1 80 518 9 ALA HB H 1.425 0.02 1 81 518 9 ALA C C 177.713 0.2 1 82 518 9 ALA CA C 52.39 0.2 1 83 518 9 ALA CB C 19.923 0.2 1 84 518 9 ALA N N 123.14 0.2 1 85 519 10 GLY H H 8.433 0.02 1 86 519 10 GLY HA2 H 4.178 0.02 2 87 519 10 GLY HA3 H 4.359 0.02 2 88 519 10 GLY C C 173.703 0.2 1 89 519 10 GLY CA C 45.252 0.2 1 90 519 10 GLY N N 107.251 0.2 1 91 520 11 ARG H H 8.505 0.02 1 92 520 11 ARG HA H 4.522 0.02 1 93 520 11 ARG HB2 H 1.935 0.02 2 94 520 11 ARG HB3 H 1.806 0.02 2 95 520 11 ARG HG2 H 1.409 0.02 1 96 520 11 ARG HG3 H 1.409 0.02 1 97 520 11 ARG HD2 H 3.149 0.02 1 98 520 11 ARG HD3 H 3.149 0.02 1 99 520 11 ARG C C 173.727 0.2 1 100 520 11 ARG CA C 55.061 0.2 1 101 520 11 ARG CB C 31.338 0.2 1 102 520 11 ARG CG C 26.896 0.2 1 103 520 11 ARG CD C 44.191 0.2 1 104 520 11 ARG N N 117.059 0.2 1 105 521 12 VAL H H 8.613 0.02 1 106 521 12 VAL HA H 4.999 0.02 1 107 521 12 VAL HB H 2.21 0.02 1 108 521 12 VAL HG1 H 0.945 0.02 1 109 521 12 VAL HG2 H 0.541 0.02 1 110 521 12 VAL C C 174.37 0.2 1 111 521 12 VAL CA C 61.234 0.2 1 112 521 12 VAL CB C 32.375 0.2 1 113 521 12 VAL CG1 C 23.158 0.2 1 114 521 12 VAL CG2 C 22.062 0.2 1 115 521 12 VAL N N 120.194 0.2 1 116 522 13 VAL H H 9.585 0.02 1 117 522 13 VAL HA H 4.425 0.02 1 118 522 13 VAL HB H 1.975 0.02 1 119 522 13 VAL HG1 H 0.892 0.02 1 120 522 13 VAL HG2 H 1.106 0.02 1 121 522 13 VAL C C 173.758 0.2 1 122 522 13 VAL CA C 61.445 0.2 1 123 522 13 VAL CB C 34.505 0.2 1 124 522 13 VAL CG1 C 22.247 0.2 1 125 522 13 VAL CG2 C 21.507 0.2 1 126 522 13 VAL N N 128.932 0.2 1 127 523 14 HIS H H 9.843 0.02 1 128 523 14 HIS HA H 5.064 0.02 1 129 523 14 HIS HB2 H 3.286 0.02 2 130 523 14 HIS HB3 H 2.712 0.02 2 131 523 14 HIS HD2 H 6.132 0.02 1 132 523 14 HIS HE1 H 7.825 0.02 1 133 523 14 HIS C C 173.219 0.2 1 134 523 14 HIS CA C 52.718 0.2 1 135 523 14 HIS CB C 34.439 0.2 1 136 523 14 HIS CD2 C 116.148 0.2 1 137 523 14 HIS CE1 C 137.422 0.2 1 138 523 14 HIS N N 128.873 0.2 1 139 524 15 ILE H H 9.142 0.02 1 140 524 15 ILE HA H 4.606 0.02 1 141 524 15 ILE HB H 1.535 0.02 1 142 524 15 ILE HG12 H 0.852 0.02 2 143 524 15 ILE HG13 H 1.452 0.02 2 144 524 15 ILE HG2 H 0.67 0.02 1 145 524 15 ILE HD1 H 0.718 0.02 1 146 524 15 ILE C C 174.276 0.2 1 147 524 15 ILE CA C 60.71 0.2 1 148 524 15 ILE CB C 40.252 0.2 1 149 524 15 ILE CG1 C 28.071 0.2 1 150 524 15 ILE CG2 C 19.127 0.2 1 151 524 15 ILE CD1 C 15.774 0.2 1 152 524 15 ILE N N 128.397 0.2 1 153 525 16 CYS H H 9.017 0.02 1 154 525 16 CYS HA H 4.869 0.02 1 155 525 16 CYS HB2 H 2.73 0.02 2 156 525 16 CYS HB3 H 2.828 0.02 2 157 525 16 CYS C C 173.366 0.2 1 158 525 16 CYS CA C 57.208 0.2 1 159 525 16 CYS CB C 30.526 0.2 1 160 525 16 CYS N N 122.288 0.2 1 161 526 17 ASN H H 8.906 0.02 1 162 526 17 ASN HA H 4.258 0.02 1 163 526 17 ASN HB2 H 2.792 0.02 2 164 526 17 ASN HB3 H 3.318 0.02 2 165 526 17 ASN HD21 H 7.514 0.02 2 166 526 17 ASN HD22 H 6.994 0.02 2 167 526 17 ASN C C 174.175 0.2 1 168 526 17 ASN CA C 54.241 0.2 1 169 526 17 ASN CB C 37.522 0.2 1 170 526 17 ASN CG C 178.623 0.2 1 171 526 17 ASN N N 117.225 0.2 1 172 526 17 ASN ND2 N 111.971 0.2 1 173 527 18 LEU H H 7.516 0.02 1 174 527 18 LEU HA H 3.976 0.02 1 175 527 18 LEU HB2 H 1.062 0.02 1 176 527 18 LEU HB3 H 1.062 0.02 1 177 527 18 LEU HG H 1.235 0.02 1 178 527 18 LEU HD1 H 0.532 0.02 1 179 527 18 LEU HD2 H 0.624 0.02 1 180 527 18 LEU C C 174.878 0.2 1 181 527 18 LEU CA C 53.282 0.2 1 182 527 18 LEU CB C 42.139 0.2 1 183 527 18 LEU CG C 27.054 0.2 1 184 527 18 LEU CD1 C 26.372 0.2 1 185 527 18 LEU CD2 C 24.842 0.2 1 186 527 18 LEU N N 117.101 0.2 1 187 528 19 PRO HA H 4.338 0.02 1 188 528 19 PRO HB2 H 2.219 0.02 2 189 528 19 PRO HB3 H 1.867 0.02 2 190 528 19 PRO HG2 H 1.942 0.02 1 191 528 19 PRO HG3 H 1.942 0.02 1 192 528 19 PRO HD2 H 3.329 0.02 2 193 528 19 PRO HD3 H 3.829 0.02 2 194 528 19 PRO C C 177.216 0.2 1 195 528 19 PRO CA C 62.293 0.2 1 196 528 19 PRO CB C 31.849 0.2 1 197 528 19 PRO CG C 27.409 0.2 1 198 528 19 PRO CD C 50.273 0.2 1 199 529 20 GLU H H 8.76 0.02 1 200 529 20 GLU HA H 4.014 0.02 1 201 529 20 GLU HB2 H 2.059 0.02 2 202 529 20 GLU HB3 H 1.927 0.02 2 203 529 20 GLU HG2 H 2.254 0.02 1 204 529 20 GLU HG3 H 2.254 0.02 1 205 529 20 GLU C C 178.273 0.2 1 206 529 20 GLU CA C 58.784 0.2 1 207 529 20 GLU CB C 29.404 0.2 1 208 529 20 GLU CG C 35.863 0.2 1 209 529 20 GLU N N 123.826 0.2 1 210 530 21 GLY H H 8.884 0.02 1 211 530 21 GLY HA2 H 4.13 0.02 2 212 530 21 GLY HA3 H 3.807 0.02 2 213 530 21 GLY C C 174.946 0.2 1 214 530 21 GLY CA C 45.691 0.2 1 215 530 21 GLY N N 112.183 0.2 1 216 531 22 SER H H 7.906 0.02 1 217 531 22 SER HA H 4.699 0.02 1 218 531 22 SER HB2 H 3.575 0.02 2 219 531 22 SER HB3 H 3.913 0.02 2 220 531 22 SER C C 172.722 0.2 1 221 531 22 SER CA C 58.334 0.2 1 222 531 22 SER CB C 64.095 0.2 1 223 531 22 SER N N 114.311 0.2 1 224 532 23 CYS H H 7.875 0.02 1 225 532 23 CYS HA H 4.585 0.02 1 226 532 23 CYS HB2 H 2.691 0.02 2 227 532 23 CYS HB3 H 2.922 0.02 2 228 532 23 CYS C C 173.539 0.2 1 229 532 23 CYS CA C 57.943 0.2 1 230 532 23 CYS CB C 25.867 0.2 1 231 532 23 CYS N N 121.753 0.2 1 232 533 24 THR H H 8.055 0.02 1 233 533 24 THR HA H 4.591 0.02 1 234 533 24 THR HB H 4.411 0.02 1 235 533 24 THR HG2 H 1.132 0.02 1 236 533 24 THR C C 173.966 0.2 1 237 533 24 THR CA C 59.592 0.2 1 238 533 24 THR CB C 72.526 0.2 1 239 533 24 THR CG2 C 21.019 0.2 1 240 533 24 THR N N 112.954 0.2 1 241 534 25 GLU H H 9.296 0.02 1 242 534 25 GLU HA H 3.414 0.02 1 243 534 25 GLU HB2 H 1.802 0.02 2 244 534 25 GLU HB3 H 1.977 0.02 2 245 534 25 GLU HG2 H 2.092 0.02 2 246 534 25 GLU HG3 H 2.243 0.02 2 247 534 25 GLU C C 177.152 0.2 1 248 534 25 GLU CA C 60.87 0.2 1 249 534 25 GLU CB C 29.062 0.2 1 250 534 25 GLU CG C 37.085 0.2 1 251 534 25 GLU N N 121.505 0.2 1 252 535 26 ASN H H 8.296 0.02 1 253 535 26 ASN HA H 4.172 0.02 1 254 535 26 ASN HB2 H 2.623 0.02 2 255 535 26 ASN HB3 H 2.578 0.02 2 256 535 26 ASN HD21 H 7.593 0.02 1 257 535 26 ASN HD22 H 6.917 0.02 1 258 535 26 ASN C C 176.988 0.2 1 259 535 26 ASN CA C 56.677 0.2 1 260 535 26 ASN CB C 38.665 0.2 1 261 535 26 ASN CG C 176.093 0.2 1 262 535 26 ASN N N 114.687 0.2 1 263 535 26 ASN ND2 N 113.113 0.2 1 264 536 27 ASP H H 7.58 0.02 1 265 536 27 ASP HA H 4.281 0.02 1 266 536 27 ASP HB2 H 2.475 0.02 2 267 536 27 ASP HB3 H 2.876 0.02 2 268 536 27 ASP C C 178.078 0.2 1 269 536 27 ASP CA C 57.806 0.2 1 270 536 27 ASP CB C 41.705 0.2 1 271 536 27 ASP N N 116.627 0.2 1 272 537 28 VAL H H 7.509 0.02 1 273 537 28 VAL HA H 3.647 0.02 1 274 537 28 VAL HB H 1.911 0.02 1 275 537 28 VAL HG1 H 0.727 0.02 1 276 537 28 VAL HG2 H 0.868 0.02 1 277 537 28 VAL C C 177.454 0.2 1 278 537 28 VAL CA C 65.895 0.2 1 279 537 28 VAL CB C 31.647 0.2 1 280 537 28 VAL CG1 C 21.739 0.2 1 281 537 28 VAL CG2 C 22.905 0.2 1 282 537 28 VAL N N 115.023 0.2 1 283 538 29 ILE H H 8.213 0.02 1 284 538 29 ILE HA H 3.565 0.02 1 285 538 29 ILE HB H 1.753 0.02 1 286 538 29 ILE HG12 H 0.768 0.02 2 287 538 29 ILE HG13 H 1.299 0.02 2 288 538 29 ILE HG2 H 0.817 0.02 1 289 538 29 ILE HD1 H 0.416 0.02 1 290 538 29 ILE C C 179.324 0.2 1 291 538 29 ILE CA C 65.939 0.2 1 292 538 29 ILE CB C 37.695 0.2 1 293 538 29 ILE CG1 C 29.442 0.2 1 294 538 29 ILE CG2 C 17.313 0.2 1 295 538 29 ILE CD1 C 13.228 0.2 1 296 538 29 ILE N N 119.272 0.2 1 297 539 30 ASN H H 7.729 0.02 1 298 539 30 ASN HA H 4.451 0.02 1 299 539 30 ASN HB2 H 2.934 0.02 2 300 539 30 ASN HB3 H 2.703 0.02 2 301 539 30 ASN HD21 H 7.623 0.02 1 302 539 30 ASN HD22 H 6.668 0.02 1 303 539 30 ASN C C 177.408 0.2 1 304 539 30 ASN CA C 55.801 0.2 1 305 539 30 ASN CB C 38.323 0.2 1 306 539 30 ASN CG C 176.253 0.2 1 307 539 30 ASN N N 116.004 0.2 1 308 539 30 ASN ND2 N 111.486 0.2 1 309 540 31 LEU H H 7.384 0.02 1 310 540 31 LEU HA H 4.28 0.02 1 311 540 31 LEU HB2 H 1.126 0.02 2 312 540 31 LEU HB3 H 2.007 0.02 2 313 540 31 LEU HG H 1.992 0.02 1 314 540 31 LEU HD1 H 0.633 0.02 1 315 540 31 LEU HD2 H 0.679 0.02 1 316 540 31 LEU C C 179.691 0.2 1 317 540 31 LEU CA C 57.071 0.2 1 318 540 31 LEU CB C 42.565 0.2 1 319 540 31 LEU CG C 26.236 0.2 1 320 540 31 LEU CD1 C 26.411 0.2 1 321 540 31 LEU CD2 C 22.169 0.2 1 322 540 31 LEU N N 116.863 0.2 1 323 541 32 GLY H H 7.778 0.02 1 324 541 32 GLY HA2 H 5.104 0.02 2 325 541 32 GLY HA3 H 3.497 0.02 2 326 541 32 GLY C C 173.305 0.2 1 327 541 32 GLY CA C 46.406 0.2 1 328 541 32 GLY N N 103.892 0.2 1 329 542 33 LEU H H 7.538 0.02 1 330 542 33 LEU HA H 4.686 0.02 1 331 542 33 LEU HB2 H 1.52 0.02 2 332 542 33 LEU HB3 H 1.8 0.02 2 333 542 33 LEU HG H 1.867 0.02 1 334 542 33 LEU HD1 H 0.943 0.02 1 335 542 33 LEU HD2 H 0.951 0.02 1 336 542 33 LEU C C 175.649 0.2 1 337 542 33 LEU CA C 58.134 0.2 1 338 542 33 LEU CB C 40.726 0.2 1 339 542 33 LEU CG C 26.291 0.2 1 340 542 33 LEU CD1 C 25.502 0.2 1 341 542 33 LEU CD2 C 23.081 0.2 1 342 542 33 LEU N N 120.716 0.2 1 343 543 34 PRO HA H 4.032 0.02 1 344 543 34 PRO HB2 H 0.129 0.02 2 345 543 34 PRO HB3 H 1.748 0.02 2 346 543 34 PRO HG2 H 1.689 0.02 1 347 543 34 PRO HG3 H 1.689 0.02 1 348 543 34 PRO HD2 H 3.096 0.02 2 349 543 34 PRO HD3 H 3.762 0.02 2 350 543 34 PRO C C 176.712 0.2 1 351 543 34 PRO CA C 64.943 0.2 1 352 543 34 PRO CB C 30.528 0.2 1 353 543 34 PRO CG C 28.236 0.2 1 354 543 34 PRO CD C 51.365 0.2 1 355 544 35 PHE H H 7.966 0.02 1 356 544 35 PHE HA H 4.233 0.02 1 357 544 35 PHE HB2 H 3.474 0.02 2 358 544 35 PHE HB3 H 2.841 0.02 2 359 544 35 PHE HD1 H 7.307 0.02 1 360 544 35 PHE HD2 H 7.307 0.02 1 361 544 35 PHE HE1 H 7.164 0.02 1 362 544 35 PHE HE2 H 7.164 0.02 1 363 544 35 PHE HZ H 6.009 0.02 1 364 544 35 PHE C C 175.056 0.2 1 365 544 35 PHE CA C 58.512 0.2 1 366 544 35 PHE CB C 39.824 0.2 1 367 544 35 PHE CD1 C 131.266 0.2 1 368 544 35 PHE CD2 C 131.266 0.2 1 369 544 35 PHE CE1 C 131.765 0.2 1 370 544 35 PHE CE2 C 131.765 0.2 1 371 544 35 PHE CZ C 129.412 0.2 1 372 544 35 PHE N N 112.913 0.2 1 373 545 36 GLY H H 7.615 0.02 1 374 545 36 GLY HA2 H 3.869 0.02 2 375 545 36 GLY HA3 H 4.224 0.02 2 376 545 36 GLY C C 169.957 0.2 1 377 545 36 GLY CA C 44.811 0.2 1 378 545 36 GLY N N 106.728 0.2 1 379 546 37 LYS H H 8.165 0.02 1 380 546 37 LYS HA H 4.18 0.02 1 381 546 37 LYS HB2 H 1.697 0.02 1 382 546 37 LYS HB3 H 1.697 0.02 1 383 546 37 LYS HG2 H 1.485 0.02 2 384 546 37 LYS HG3 H 1.23 0.02 2 385 546 37 LYS HD2 H 1.661 0.02 1 386 546 37 LYS HD3 H 1.661 0.02 1 387 546 37 LYS HE2 H 2.955 0.02 1 388 546 37 LYS HE3 H 2.955 0.02 1 389 546 37 LYS C C 176.102 0.2 1 390 546 37 LYS CA C 56.716 0.2 1 391 546 37 LYS CB C 33.28 0.2 1 392 546 37 LYS CG C 24.96 0.2 1 393 546 37 LYS CD C 29.189 0.2 1 394 546 37 LYS CE C 42.118 0.2 1 395 546 37 LYS N N 117.516 0.2 1 396 547 38 VAL H H 8.115 0.02 1 397 547 38 VAL HA H 4.672 0.02 1 398 547 38 VAL HB H 2.047 0.02 1 399 547 38 VAL HG1 H 1.114 0.02 1 400 547 38 VAL HG2 H 1.162 0.02 1 401 547 38 VAL C C 177.309 0.2 1 402 547 38 VAL CA C 61.666 0.2 1 403 547 38 VAL CB C 33.306 0.2 1 404 547 38 VAL CG1 C 22.181 0.2 1 405 547 38 VAL CG2 C 20.73 0.2 1 406 547 38 VAL N N 127.668 0.2 1 407 548 39 THR H H 9.161 0.02 1 408 548 39 THR HA H 4.298 0.02 1 409 548 39 THR HB H 4.208 0.02 1 410 548 39 THR HG2 H 0.972 0.02 1 411 548 39 THR C C 175.519 0.2 1 412 548 39 THR CA C 62.835 0.2 1 413 548 39 THR CB C 68.403 0.2 1 414 548 39 THR CG2 C 23.157 0.2 1 415 548 39 THR N N 118.706 0.2 1 416 549 40 ASN H H 8.088 0.02 1 417 549 40 ASN HA H 4.78 0.02 1 418 549 40 ASN HB2 H 2.256 0.02 2 419 549 40 ASN HB3 H 2.861 0.02 2 420 549 40 ASN HD21 H 7.925 0.02 2 421 549 40 ASN HD22 H 6.565 0.02 2 422 549 40 ASN C C 172.627 0.2 1 423 549 40 ASN CA C 52.644 0.2 1 424 549 40 ASN CB C 42.271 0.2 1 425 549 40 ASN CG C 176.839 0.2 1 426 549 40 ASN N N 118.117 0.2 1 427 549 40 ASN ND2 N 111.912 0.2 1 428 550 41 TYR H H 8.333 0.02 1 429 550 41 TYR HA H 5.145 0.02 1 430 550 41 TYR HB2 H 2.824 0.02 2 431 550 41 TYR HB3 H 3.135 0.02 2 432 550 41 TYR HD1 H 6.675 0.02 1 433 550 41 TYR HD2 H 6.675 0.02 1 434 550 41 TYR HE1 H 6.75 0.02 1 435 550 41 TYR HE2 H 6.75 0.02 1 436 550 41 TYR C C 172.693 0.2 1 437 550 41 TYR CA C 57.099 0.2 1 438 550 41 TYR CB C 40.698 0.2 1 439 550 41 TYR CD1 C 133.215 0.2 1 440 550 41 TYR CD2 C 133.215 0.2 1 441 550 41 TYR CE1 C 117.878 0.2 1 442 550 41 TYR CE2 C 117.878 0.2 1 443 550 41 TYR N N 115.739 0.2 1 444 551 42 ILE H H 8.926 0.02 1 445 551 42 ILE HA H 4.225 0.02 1 446 551 42 ILE HB H 1.692 0.02 1 447 551 42 ILE HG12 H 0.954 0.02 2 448 551 42 ILE HG13 H 1.416 0.02 2 449 551 42 ILE HG2 H 0.9 0.02 1 450 551 42 ILE HD1 H 0.626 0.02 1 451 551 42 ILE C C 174.275 0.2 1 452 551 42 ILE CA C 61.207 0.2 1 453 551 42 ILE CB C 43.053 0.2 1 454 551 42 ILE CG1 C 27.855 0.2 1 455 551 42 ILE CG2 C 17.512 0.2 1 456 551 42 ILE CD1 C 13.896 0.2 1 457 551 42 ILE N N 117.362 0.2 1 458 552 43 LEU H H 9.167 0.02 1 459 552 43 LEU HA H 4.642 0.02 1 460 552 43 LEU HB2 H 1.742 0.02 1 461 552 43 LEU HB3 H 1.742 0.02 1 462 552 43 LEU HG H 1.742 0.02 1 463 552 43 LEU HD1 H 0.882 0.02 1 464 552 43 LEU HD2 H 0.73 0.02 1 465 552 43 LEU C C 175.881 0.2 1 466 552 43 LEU CA C 54.27 0.2 1 467 552 43 LEU CB C 42.853 0.2 1 468 552 43 LEU CG C 27.535 0.2 1 469 552 43 LEU CD1 C 25.134 0.2 1 470 552 43 LEU CD2 C 23.727 0.2 1 471 552 43 LEU N N 127.344 0.2 1 472 553 44 MET H H 8.646 0.02 1 473 553 44 MET HA H 4.757 0.02 1 474 553 44 MET HB2 H 2.053 0.02 1 475 553 44 MET HB3 H 2.053 0.02 1 476 553 44 MET HG2 H 2.371 0.02 1 477 553 44 MET HG3 H 2.371 0.02 1 478 553 44 MET HE H 2 0.02 1 479 553 44 MET C C 175.511 0.2 1 480 553 44 MET CA C 54.153 0.2 1 481 553 44 MET CB C 31.778 0.2 1 482 553 44 MET CG C 32.795 0.2 1 483 553 44 MET CE C 17.73 0.2 1 484 553 44 MET N N 126.805 0.2 1 485 554 45 LYS H H 8.407 0.02 1 486 554 45 LYS HA H 4.131 0.02 1 487 554 45 LYS HB2 H 1.851 0.02 2 488 554 45 LYS HB3 H 1.934 0.02 2 489 554 45 LYS HG2 H 1.571 0.02 1 490 554 45 LYS HG3 H 1.571 0.02 1 491 554 45 LYS HD2 H 1.784 0.02 1 492 554 45 LYS HD3 H 1.784 0.02 1 493 554 45 LYS HE2 H 3.079 0.02 1 494 554 45 LYS HE3 H 3.079 0.02 1 495 554 45 LYS C C 179.848 0.2 1 496 554 45 LYS CA C 60.49 0.2 1 497 554 45 LYS CB C 32.704 0.2 1 498 554 45 LYS CG C 25.574 0.2 1 499 554 45 LYS CD C 29.655 0.2 1 500 554 45 LYS CE C 42.217 0.2 1 501 554 45 LYS N N 123.018 0.2 1 502 555 46 SER H H 8.766 0.02 1 503 555 46 SER HA H 4.314 0.02 1 504 555 46 SER HB2 H 4.002 0.02 2 505 555 46 SER HB3 H 4.062 0.02 2 506 555 46 SER C C 175.407 0.2 1 507 555 46 SER CA C 60.846 0.2 1 508 555 46 SER CB C 62.836 0.2 1 509 555 46 SER N N 112.383 0.2 1 510 556 47 THR H H 7.302 0.02 1 511 556 47 THR HA H 4.593 0.02 1 512 556 47 THR HB H 4.578 0.02 1 513 556 47 THR HG2 H 1.156 0.02 1 514 556 47 THR C C 173.987 0.2 1 515 556 47 THR CA C 60.397 0.2 1 516 556 47 THR CB C 68.517 0.2 1 517 556 47 THR CG2 C 21.977 0.2 1 518 556 47 THR N N 108.179 0.2 1 519 557 48 ASN H H 7.957 0.02 1 520 557 48 ASN HA H 4.267 0.02 1 521 557 48 ASN HB2 H 2.901 0.02 2 522 557 48 ASN HB3 H 3.362 0.02 2 523 557 48 ASN HD21 H 7.508 0.02 2 524 557 48 ASN HD22 H 6.768 0.02 2 525 557 48 ASN C C 173.492 0.2 1 526 557 48 ASN CA C 55.19 0.2 1 527 557 48 ASN CB C 36.774 0.2 1 528 557 48 ASN CG C 178.5 0.2 1 529 557 48 ASN N N 117.518 0.2 1 530 557 48 ASN ND2 N 111.465 0.2 1 531 558 49 GLN H H 7.869 0.02 1 532 558 49 GLN HA H 5.44 0.02 1 533 558 49 GLN HB2 H 2.066 0.02 2 534 558 49 GLN HB3 H 1.996 0.02 2 535 558 49 GLN HG2 H 2.532 0.02 2 536 558 49 GLN HG3 H 2.309 0.02 2 537 558 49 GLN HE21 H 8.084 0.02 2 538 558 49 GLN HE22 H 7.021 0.02 2 539 558 49 GLN C C 173.222 0.2 1 540 558 49 GLN CA C 53.878 0.2 1 541 558 49 GLN CB C 33.913 0.2 1 542 558 49 GLN CG C 33.4 0.2 1 543 558 49 GLN CD C 181.312 0.2 1 544 558 49 GLN N N 112.495 0.2 1 545 558 49 GLN NE2 N 112.767 0.2 1 546 559 50 ALA H H 9.17 0.02 1 547 559 50 ALA HA H 4.984 0.02 1 548 559 50 ALA HB H 1.346 0.02 1 549 559 50 ALA C C 174.557 0.2 1 550 559 50 ALA CA C 51.092 0.2 1 551 559 50 ALA CB C 25.074 0.2 1 552 559 50 ALA N N 119.028 0.2 1 553 560 51 PHE H H 9.124 0.02 1 554 560 51 PHE HA H 5.661 0.02 1 555 560 51 PHE HB2 H 2.689 0.02 2 556 560 51 PHE HB3 H 2.613 0.02 2 557 560 51 PHE HD1 H 6.943 0.02 1 558 560 51 PHE HD2 H 6.943 0.02 1 559 560 51 PHE HE1 H 6.998 0.02 1 560 560 51 PHE HE2 H 6.998 0.02 1 561 560 51 PHE HZ H 6.722 0.02 1 562 560 51 PHE C C 174.474 0.2 1 563 560 51 PHE CA C 56.529 0.2 1 564 560 51 PHE CB C 42.617 0.2 1 565 560 51 PHE CD1 C 131.249 0.2 1 566 560 51 PHE CD2 C 131.249 0.2 1 567 560 51 PHE CE1 C 130.615 0.2 1 568 560 51 PHE CE2 C 130.615 0.2 1 569 560 51 PHE CZ C 128.875 0.2 1 570 560 51 PHE N N 117.03 0.2 1 571 561 52 LEU H H 9.431 0.02 1 572 561 52 LEU HA H 4.856 0.02 1 573 561 52 LEU HB2 H 1.387 0.02 2 574 561 52 LEU HB3 H 1.679 0.02 2 575 561 52 LEU HG H 1.571 0.02 1 576 561 52 LEU HD1 H 0.945 0.02 1 577 561 52 LEU HD2 H 0.896 0.02 1 578 561 52 LEU C C 173.553 0.2 1 579 561 52 LEU CA C 53.918 0.2 1 580 561 52 LEU CB C 46.439 0.2 1 581 561 52 LEU CG C 26.97 0.2 1 582 561 52 LEU CD1 C 26.322 0.2 1 583 561 52 LEU CD2 C 26.019 0.2 1 584 561 52 LEU N N 122.534 0.2 1 585 562 53 GLU H H 8.972 0.02 1 586 562 53 GLU HA H 4.907 0.02 1 587 562 53 GLU HB2 H 1.419 0.02 1 588 562 53 GLU HB3 H 1.419 0.02 1 589 562 53 GLU HG2 H 1.81 0.02 2 590 562 53 GLU HG3 H 2.177 0.02 2 591 562 53 GLU C C 174.253 0.2 1 592 562 53 GLU CA C 54.761 0.2 1 593 562 53 GLU CB C 33.574 0.2 1 594 562 53 GLU CG C 38.119 0.2 1 595 562 53 GLU N N 126.661 0.2 1 596 563 54 MET H H 8.715 0.02 1 597 563 54 MET HA H 5.515 0.02 1 598 563 54 MET HB2 H 2.255 0.02 1 599 563 54 MET HB3 H 2.255 0.02 1 600 563 54 MET HG2 H 2.548 0.02 1 601 563 54 MET HG3 H 2.548 0.02 1 602 563 54 MET HE H 1.971 0.02 1 603 563 54 MET C C 178.223 0.2 1 604 563 54 MET CA C 51.918 0.2 1 605 563 54 MET CB C 32.852 0.2 1 606 563 54 MET CG C 32.485 0.2 1 607 563 54 MET CE C 18.188 0.2 1 608 563 54 MET N N 123.613 0.2 1 609 564 55 ALA H H 8.464 0.02 1 610 564 55 ALA HA H 3.81 0.02 1 611 564 55 ALA HB H 1.182 0.02 1 612 564 55 ALA C C 176.646 0.2 1 613 564 55 ALA CA C 55.258 0.2 1 614 564 55 ALA CB C 19.114 0.2 1 615 564 55 ALA N N 121.003 0.2 1 616 565 56 TYR H H 7.287 0.02 1 617 565 56 TYR HA H 5.039 0.02 1 618 565 56 TYR HB2 H 3.655 0.02 2 619 565 56 TYR HB3 H 2.806 0.02 2 620 565 56 TYR HD1 H 7.321 0.02 1 621 565 56 TYR HD2 H 7.321 0.02 1 622 565 56 TYR HE1 H 6.913 0.02 1 623 565 56 TYR HE2 H 6.913 0.02 1 624 565 56 TYR C C 176.914 0.2 1 625 565 56 TYR CA C 55.539 0.2 1 626 565 56 TYR CB C 41.758 0.2 1 627 565 56 TYR CD1 C 134.342 0.2 1 628 565 56 TYR CD2 C 134.342 0.2 1 629 565 56 TYR CE1 C 117.989 0.2 1 630 565 56 TYR CE2 C 117.989 0.2 1 631 565 56 TYR N N 108.643 0.2 1 632 566 57 THR H H 9.499 0.02 1 633 566 57 THR HA H 4.099 0.02 1 634 566 57 THR HB H 4.063 0.02 1 635 566 57 THR HG2 H 1.298 0.02 1 636 566 57 THR C C 175.8 0.2 1 637 566 57 THR CA C 65.74 0.2 1 638 566 57 THR CB C 68.721 0.2 1 639 566 57 THR CG2 C 20.55 0.2 1 640 566 57 THR N N 120.679 0.2 1 641 567 58 GLU H H 9.808 0.02 1 642 567 58 GLU HA H 3.999 0.02 1 643 567 58 GLU HB2 H 2.085 0.02 2 644 567 58 GLU HB3 H 2.046 0.02 2 645 567 58 GLU HG2 H 2.333 0.02 2 646 567 58 GLU HG3 H 2.569 0.02 2 647 567 58 GLU C C 178.807 0.2 1 648 567 58 GLU CA C 61.2 0.2 1 649 567 58 GLU CB C 28.294 0.2 1 650 567 58 GLU CG C 37.399 0.2 1 651 567 58 GLU N N 121.454 0.2 1 652 568 59 ALA H H 6.951 0.02 1 653 568 59 ALA HA H 4.435 0.02 1 654 568 59 ALA HB H 1.606 0.02 1 655 568 59 ALA C C 178.723 0.2 1 656 568 59 ALA CA C 54.654 0.2 1 657 568 59 ALA CB C 19.841 0.2 1 658 568 59 ALA N N 121.697 0.2 1 659 569 60 ALA H H 7.08 0.02 1 660 569 60 ALA HA H 3.849 0.02 1 661 569 60 ALA HB H 1.367 0.02 1 662 569 60 ALA C C 177.925 0.2 1 663 569 60 ALA CA C 55.388 0.2 1 664 569 60 ALA CB C 17.745 0.2 1 665 569 60 ALA N N 119.784 0.2 1 666 570 61 GLN H H 8.432 0.02 1 667 570 61 GLN HA H 3.935 0.02 1 668 570 61 GLN HB2 H 2.118 0.02 2 669 570 61 GLN HB3 H 2.023 0.02 2 670 570 61 GLN HG2 H 2.327 0.02 2 671 570 61 GLN HG3 H 2.534 0.02 2 672 570 61 GLN HE21 H 7.503 0.02 2 673 570 61 GLN HE22 H 6.998 0.02 2 674 570 61 GLN C C 178.994 0.2 1 675 570 61 GLN CA C 59.197 0.2 1 676 570 61 GLN CB C 28.853 0.2 1 677 570 61 GLN CG C 33.452 0.2 1 678 570 61 GLN CD C 179.957 0.2 1 679 570 61 GLN N N 115.011 0.2 1 680 570 61 GLN NE2 N 112.887 0.2 1 681 571 62 ALA H H 8.102 0.02 1 682 571 62 ALA HA H 4.073 0.02 1 683 571 62 ALA HB H 1.675 0.02 1 684 571 62 ALA C C 179.794 0.2 1 685 571 62 ALA CA C 55.106 0.2 1 686 571 62 ALA CB C 18.27 0.2 1 687 571 62 ALA N N 122.344 0.2 1 688 572 63 MET H H 7.776 0.02 1 689 572 63 MET HA H 2.025 0.02 1 690 572 63 MET HB2 H 2.205 0.02 1 691 572 63 MET HB3 H 2.205 0.02 1 692 572 63 MET HG2 H 2.643 0.02 2 693 572 63 MET HG3 H 1.571 0.02 2 694 572 63 MET HE H 1.869 0.02 1 695 572 63 MET C C 176.505 0.2 1 696 572 63 MET CA C 58.438 0.2 1 697 572 63 MET CB C 32.032 0.2 1 698 572 63 MET CG C 32.67 0.2 1 699 572 63 MET CE C 16.916 0.2 1 700 572 63 MET N N 120.553 0.2 1 701 573 64 VAL H H 7.762 0.02 1 702 573 64 VAL HA H 3.394 0.02 1 703 573 64 VAL HB H 2.038 0.02 1 704 573 64 VAL HG1 H 1.033 0.02 1 705 573 64 VAL HG2 H 0.969 0.02 1 706 573 64 VAL C C 178.604 0.2 1 707 573 64 VAL CA C 67.111 0.2 1 708 573 64 VAL CB C 31.743 0.2 1 709 573 64 VAL CG1 C 21.447 0.2 1 710 573 64 VAL CG2 C 24.574 0.2 1 711 573 64 VAL N N 117.351 0.2 1 712 574 65 GLN H H 8.126 0.02 1 713 574 65 GLN HA H 3.946 0.02 1 714 574 65 GLN HB2 H 2.13 0.02 2 715 574 65 GLN HB3 H 2.037 0.02 2 716 574 65 GLN HG2 H 2.424 0.02 1 717 574 65 GLN HG3 H 2.424 0.02 1 718 574 65 GLN HE21 H 7.637 0.02 2 719 574 65 GLN HE22 H 6.844 0.02 2 720 574 65 GLN C C 178.238 0.2 1 721 574 65 GLN CA C 58.932 0.2 1 722 574 65 GLN CB C 28.407 0.2 1 723 574 65 GLN CG C 33.822 0.2 1 724 574 65 GLN CD C 179.986 0.2 1 725 574 65 GLN N N 118.561 0.2 1 726 574 65 GLN NE2 N 112.271 0.2 1 727 575 66 TYR H H 8.05 0.02 1 728 575 66 TYR HA H 4.005 0.02 1 729 575 66 TYR HB2 H 2.623 0.02 2 730 575 66 TYR HB3 H 2.944 0.02 2 731 575 66 TYR HD1 H 6.403 0.02 1 732 575 66 TYR HD2 H 6.403 0.02 1 733 575 66 TYR HE1 H 6.754 0.02 1 734 575 66 TYR HE2 H 6.754 0.02 1 735 575 66 TYR C C 178.132 0.2 1 736 575 66 TYR CA C 61.997 0.2 1 737 575 66 TYR CB C 39.066 0.2 1 738 575 66 TYR CD1 C 133.749 0.2 1 739 575 66 TYR CD2 C 133.749 0.2 1 740 575 66 TYR CE1 C 117.859 0.2 1 741 575 66 TYR CE2 C 117.859 0.2 1 742 575 66 TYR N N 120.554 0.2 1 743 576 67 TYR H H 7.703 0.02 1 744 576 67 TYR HA H 4.742 0.02 1 745 576 67 TYR HB2 H 2.717 0.02 2 746 576 67 TYR HB3 H 3.409 0.02 2 747 576 67 TYR HD1 H 7.517 0.02 1 748 576 67 TYR HD2 H 7.517 0.02 1 749 576 67 TYR HE1 H 7.064 0.02 1 750 576 67 TYR HE2 H 7.064 0.02 1 751 576 67 TYR C C 176.956 0.2 1 752 576 67 TYR CA C 59.74 0.2 1 753 576 67 TYR CB C 37.995 0.2 1 754 576 67 TYR CD1 C 134.613 0.2 1 755 576 67 TYR CD2 C 134.613 0.2 1 756 576 67 TYR CE1 C 117.315 0.2 1 757 576 67 TYR CE2 C 117.315 0.2 1 758 576 67 TYR N N 115.44 0.2 1 759 577 68 GLN H H 7.628 0.02 1 760 577 68 GLN HA H 4.119 0.02 1 761 577 68 GLN HB2 H 2.125 0.02 2 762 577 68 GLN HB3 H 2.314 0.02 2 763 577 68 GLN HG2 H 2.489 0.02 2 764 577 68 GLN HG3 H 2.592 0.02 2 765 577 68 GLN HE21 H 7.539 0.02 2 766 577 68 GLN HE22 H 6.835 0.02 2 767 577 68 GLN C C 177.68 0.2 1 768 577 68 GLN CA C 58.337 0.2 1 769 577 68 GLN CB C 28.522 0.2 1 770 577 68 GLN CG C 34.512 0.2 1 771 577 68 GLN CD C 179.876 0.2 1 772 577 68 GLN N N 118.41 0.2 1 773 577 68 GLN NE2 N 111.542 0.2 1 774 578 69 GLU H H 7.131 0.02 1 775 578 69 GLU HA H 4.22 0.02 1 776 578 69 GLU HB2 H 2.059 0.02 2 777 578 69 GLU HB3 H 1.926 0.02 2 778 578 69 GLU HG2 H 2.199 0.02 2 779 578 69 GLU HG3 H 2.367 0.02 2 780 578 69 GLU C C 176.829 0.2 1 781 578 69 GLU CA C 57.478 0.2 1 782 578 69 GLU CB C 30.428 0.2 1 783 578 69 GLU CG C 36.263 0.2 1 784 578 69 GLU N N 117.81 0.2 1 785 579 70 LYS H H 8.078 0.02 1 786 579 70 LYS HA H 4.579 0.02 1 787 579 70 LYS HB2 H 1.172 0.02 2 788 579 70 LYS HB3 H 1.446 0.02 2 789 579 70 LYS HG2 H 1.084 0.02 2 790 579 70 LYS HG3 H 1.162 0.02 2 791 579 70 LYS HD2 H 1.42 0.02 2 792 579 70 LYS HD3 H 1.545 0.02 2 793 579 70 LYS HE2 H 2.892 0.02 1 794 579 70 LYS HE3 H 2.892 0.02 1 795 579 70 LYS C C 171.589 0.2 1 796 579 70 LYS CA C 53.169 0.2 1 797 579 70 LYS CB C 32.288 0.2 1 798 579 70 LYS CG C 24.508 0.2 1 799 579 70 LYS CD C 29.27 0.2 1 800 579 70 LYS CE C 42.337 0.2 1 801 579 70 LYS N N 121.193 0.2 1 802 580 71 PRO HA H 4.927 0.02 1 803 580 71 PRO HB2 H 1.676 0.02 2 804 580 71 PRO HB3 H 2.367 0.02 2 805 580 71 PRO HG2 H 1.982 0.02 1 806 580 71 PRO HG3 H 1.982 0.02 1 807 580 71 PRO HD2 H 3.361 0.02 2 808 580 71 PRO HD3 H 3.576 0.02 2 809 580 71 PRO C C 176.967 0.2 1 810 580 71 PRO CA C 63.572 0.2 1 811 580 71 PRO CB C 32.261 0.2 1 812 580 71 PRO CG C 27.231 0.2 1 813 580 71 PRO CD C 50.063 0.2 1 814 581 72 ALA H H 8.92 0.02 1 815 581 72 ALA HA H 4.444 0.02 1 816 581 72 ALA HB H 1.007 0.02 1 817 581 72 ALA C C 175.735 0.2 1 818 581 72 ALA CA C 51.712 0.2 1 819 581 72 ALA CB C 19.483 0.2 1 820 581 72 ALA N N 126.816 0.2 1 821 582 73 ILE H H 8.022 0.02 1 822 582 73 ILE HA H 4.877 0.02 1 823 582 73 ILE HB H 1.654 0.02 1 824 582 73 ILE HG12 H 0.893 0.02 2 825 582 73 ILE HG13 H 1.452 0.02 2 826 582 73 ILE HG2 H 0.587 0.02 1 827 582 73 ILE HD1 H 0.75 0.02 1 828 582 73 ILE C C 176.622 0.2 1 829 582 73 ILE CA C 59.315 0.2 1 830 582 73 ILE CB C 39.828 0.2 1 831 582 73 ILE CG1 C 27.324 0.2 1 832 582 73 ILE CG2 C 17.141 0.2 1 833 582 73 ILE CD1 C 12.628 0.2 1 834 582 73 ILE N N 123.015 0.2 1 835 583 74 ILE H H 8.668 0.02 1 836 583 74 ILE HA H 4.271 0.02 1 837 583 74 ILE HB H 1.448 0.02 1 838 583 74 ILE HG12 H 1.057 0.02 1 839 583 74 ILE HG13 H 1.225 0.02 1 840 583 74 ILE HG2 H 0.811 0.02 1 841 583 74 ILE HD1 H 0.768 0.02 1 842 583 74 ILE C C 175.351 0.2 1 843 583 74 ILE CA C 60.273 0.2 1 844 583 74 ILE CB C 40.53 0.2 1 845 583 74 ILE CG1 C 27.11 0.2 1 846 583 74 ILE CG2 C 17.044 0.2 1 847 583 74 ILE CD1 C 13.422 0.2 1 848 583 74 ILE N N 126.995 0.2 1 849 584 75 ASN H H 9.344 0.02 1 850 584 75 ASN HA H 4.301 0.02 1 851 584 75 ASN HB2 H 3.058 0.02 2 852 584 75 ASN HB3 H 2.629 0.02 2 853 584 75 ASN HD21 H 7.347 0.02 2 854 584 75 ASN HD22 H 6.848 0.02 2 855 584 75 ASN C C 175.343 0.2 1 856 584 75 ASN CA C 53.826 0.2 1 857 584 75 ASN CB C 37.446 0.2 1 858 584 75 ASN CG C 177.769 0.2 1 859 584 75 ASN N N 126.686 0.2 1 860 584 75 ASN ND2 N 111.705 0.2 1 861 585 76 GLY H H 8.184 0.02 1 862 585 76 GLY HA2 H 3.43 0.02 1 863 585 76 GLY HA3 H 4.145 0.02 1 864 585 76 GLY C C 173.523 0.2 1 865 585 76 GLY CA C 45.389 0.2 1 866 585 76 GLY N N 102.31 0.2 1 867 586 77 GLU H H 7.946 0.02 1 868 586 77 GLU HA H 4.521 0.02 1 869 586 77 GLU HB2 H 1.895 0.02 2 870 586 77 GLU HB3 H 2.04 0.02 2 871 586 77 GLU HG2 H 2.145 0.02 2 872 586 77 GLU HG3 H 2.22 0.02 2 873 586 77 GLU C C 174.1 0.2 1 874 586 77 GLU CA C 54.709 0.2 1 875 586 77 GLU CB C 30.946 0.2 1 876 586 77 GLU CG C 35.423 0.2 1 877 586 77 GLU N N 122.124 0.2 1 878 587 78 LYS H H 8.475 0.02 1 879 587 78 LYS HA H 4.661 0.02 1 880 587 78 LYS HB2 H 1.68 0.02 1 881 587 78 LYS HB3 H 1.68 0.02 1 882 587 78 LYS HG2 H 1.366 0.02 1 883 587 78 LYS HG3 H 1.366 0.02 1 884 587 78 LYS HD2 H 1.685 0.02 1 885 587 78 LYS HD3 H 1.685 0.02 1 886 587 78 LYS HE2 H 2.95 0.02 1 887 587 78 LYS HE3 H 2.95 0.02 1 888 587 78 LYS C C 176.919 0.2 1 889 587 78 LYS CA C 55.906 0.2 1 890 587 78 LYS CB C 32.833 0.2 1 891 587 78 LYS CG C 25.013 0.2 1 892 587 78 LYS CD C 29.866 0.2 1 893 587 78 LYS CE C 41.891 0.2 1 894 587 78 LYS N N 123.738 0.2 1 895 588 79 LEU H H 8.756 0.02 1 896 588 79 LEU HA H 4.409 0.02 1 897 588 79 LEU HB2 H 1.584 0.02 2 898 588 79 LEU HB3 H 1.213 0.02 2 899 588 79 LEU HG H 1.56 0.02 1 900 588 79 LEU HD1 H 0.635 0.02 1 901 588 79 LEU HD2 H 0.599 0.02 1 902 588 79 LEU C C 176.704 0.2 1 903 588 79 LEU CA C 54.613 0.2 1 904 588 79 LEU CB C 42.048 0.2 1 905 588 79 LEU CG C 27.238 0.2 1 906 588 79 LEU CD1 C 25.91 0.2 1 907 588 79 LEU CD2 C 23.781 0.2 1 908 588 79 LEU N N 126.912 0.2 1 909 589 80 LEU H H 7.831 0.02 1 910 589 80 LEU HA H 4.601 0.02 1 911 589 80 LEU HB2 H 1.406 0.02 1 912 589 80 LEU HB3 H 1.406 0.02 1 913 589 80 LEU HG H 1.354 0.02 1 914 589 80 LEU HD1 H 0.843 0.02 1 915 589 80 LEU HD2 H 0.758 0.02 1 916 589 80 LEU C C 174.832 0.2 1 917 589 80 LEU CA C 54.413 0.2 1 918 589 80 LEU CB C 43.251 0.2 1 919 589 80 LEU CG C 27.704 0.2 1 920 589 80 LEU CD1 C 23.918 0.2 1 921 589 80 LEU CD2 C 24.655 0.2 1 922 589 80 LEU N N 123.819 0.2 1 923 590 81 ILE H H 8.531 0.02 1 924 590 81 ILE HA H 4.873 0.02 1 925 590 81 ILE HB H 1.765 0.02 1 926 590 81 ILE HG12 H 0.759 0.02 2 927 590 81 ILE HG13 H 1.392 0.02 2 928 590 81 ILE HG2 H 0.751 0.02 1 929 590 81 ILE HD1 H 0.32 0.02 1 930 590 81 ILE C C 174.834 0.2 1 931 590 81 ILE CA C 61.201 0.2 1 932 590 81 ILE CB C 39.514 0.2 1 933 590 81 ILE CG1 C 28.471 0.2 1 934 590 81 ILE CG2 C 18.13 0.2 1 935 590 81 ILE CD1 C 13.354 0.2 1 936 590 81 ILE N N 127.559 0.2 1 937 591 82 ARG H H 8.957 0.02 1 938 591 82 ARG HA H 4.904 0.02 1 939 591 82 ARG HB2 H 1.871 0.02 1 940 591 82 ARG HB3 H 1.871 0.02 1 941 591 82 ARG HG2 H 1.468 0.02 1 942 591 82 ARG HG3 H 1.468 0.02 1 943 591 82 ARG HD2 H 3.148 0.02 1 944 591 82 ARG HD3 H 3.148 0.02 1 945 591 82 ARG C C 174.926 0.2 1 946 591 82 ARG CA C 54.2 0.2 1 947 591 82 ARG CB C 34.723 0.2 1 948 591 82 ARG CG C 26.478 0.2 1 949 591 82 ARG CD C 43.532 0.2 1 950 591 82 ARG N N 125.97 0.2 1 951 592 83 MET H H 9.074 0.02 1 952 592 83 MET HA H 4.796 0.02 1 953 592 83 MET HB2 H 2.044 0.02 1 954 592 83 MET HB3 H 2.044 0.02 1 955 592 83 MET HG2 H 2.484 0.02 2 956 592 83 MET HG3 H 2.749 0.02 2 957 592 83 MET HE H 1.907 0.02 1 958 592 83 MET C C 177.58 0.2 1 959 592 83 MET CA C 54.425 0.2 1 960 592 83 MET CB C 30.327 0.2 1 961 592 83 MET CG C 31.994 0.2 1 962 592 83 MET CE C 15.757 0.2 1 963 592 83 MET N N 121.287 0.2 1 964 593 84 SER H H 8.838 0.02 1 965 593 84 SER HA H 4.927 0.02 1 966 593 84 SER HB2 H 3.95 0.02 2 967 593 84 SER HB3 H 4.182 0.02 2 968 593 84 SER C C 175.971 0.2 1 969 593 84 SER CA C 58.346 0.2 1 970 593 84 SER CB C 65.18 0.2 1 971 593 84 SER N N 118.259 0.2 1 972 594 85 THR H H 9.709 0.02 1 973 594 85 THR HA H 4.305 0.02 1 974 594 85 THR HB H 4.238 0.02 1 975 594 85 THR HG2 H 1.267 0.02 1 976 594 85 THR CA C 62.898 0.2 1 977 594 85 THR CB C 69.406 0.2 1 978 594 85 THR CG2 C 21.98 0.2 1 979 594 85 THR N N 120.327 0.2 1 980 595 86 ARG HA H 4.008 0.02 1 981 595 86 ARG HB2 H 1.121 0.02 2 982 595 86 ARG HB3 H 1.403 0.02 2 983 595 86 ARG HG2 H 0.562 0.02 2 984 595 86 ARG HG3 H 0.827 0.02 2 985 595 86 ARG HD2 H 2.677 0.02 1 986 595 86 ARG HD3 H 2.677 0.02 1 987 595 86 ARG C C 175.835 0.2 1 988 595 86 ARG CA C 57.393 0.2 1 989 595 86 ARG CB C 30.707 0.2 1 990 595 86 ARG CG C 25.917 0.2 1 991 595 86 ARG CD C 43.201 0.2 1 992 596 87 TYR H H 7.478 0.02 1 993 596 87 TYR HA H 4.801 0.02 1 994 596 87 TYR HB2 H 2.791 0.02 2 995 596 87 TYR HB3 H 2.275 0.02 2 996 596 87 TYR HD1 H 6.632 0.02 1 997 596 87 TYR HD2 H 6.632 0.02 1 998 596 87 TYR HE1 H 5.998 0.02 1 999 596 87 TYR HE2 H 5.998 0.02 1 1000 596 87 TYR C C 174.837 0.2 1 1001 596 87 TYR CA C 55.769 0.2 1 1002 596 87 TYR CB C 40.563 0.2 1 1003 596 87 TYR CD1 C 133.249 0.2 1 1004 596 87 TYR CD2 C 133.249 0.2 1 1005 596 87 TYR CE1 C 117.136 0.2 1 1006 596 87 TYR CE2 C 117.136 0.2 1 1007 596 87 TYR N N 116.666 0.2 1 1008 597 88 LYS HA H 4.4 0.02 1 1009 597 88 LYS HB2 H 1.878 0.02 1 1010 597 88 LYS HB3 H 1.878 0.02 1 1011 597 88 LYS HG2 H 1.518 0.02 1 1012 597 88 LYS HG3 H 1.518 0.02 1 1013 597 88 LYS HD2 H 1.569 0.02 1 1014 597 88 LYS HD3 H 1.569 0.02 1 1015 597 88 LYS HE2 H 2.961 0.02 1 1016 597 88 LYS HE3 H 2.961 0.02 1 1017 597 88 LYS C C 176.276 0.2 1 1018 597 88 LYS CA C 57.569 0.2 1 1019 597 88 LYS CB C 33.094 0.2 1 1020 597 88 LYS CG C 25.317 0.2 1 1021 597 88 LYS CD C 28.979 0.2 1 1022 597 88 LYS CE C 42.612 0.2 1 1023 598 89 GLU H H 7.786 0.02 1 1024 598 89 GLU HA H 4.256 0.02 1 1025 598 89 GLU HB2 H 2.053 0.02 1 1026 598 89 GLU HB3 H 2.053 0.02 1 1027 598 89 GLU HG2 H 2.044 0.02 1 1028 598 89 GLU HG3 H 2.044 0.02 1 1029 598 89 GLU C C 174.365 0.2 1 1030 598 89 GLU CA C 54.87 0.2 1 1031 598 89 GLU CB C 32.236 0.2 1 1032 598 89 GLU CG C 35.442 0.2 1 1033 598 89 GLU N N 114.859 0.2 1 1034 599 90 LEU H H 9.291 0.02 1 1035 599 90 LEU HA H 4.179 0.02 1 1036 599 90 LEU HB2 H 1.024 0.02 1 1037 599 90 LEU HB3 H 1.27 0.02 1 1038 599 90 LEU HG H 1.245 0.02 1 1039 599 90 LEU HD1 H 0.41 0.02 1 1040 599 90 LEU HD2 H 0.071 0.02 1 1041 599 90 LEU C C 175.919 0.2 1 1042 599 90 LEU CA C 53.792 0.2 1 1043 599 90 LEU CB C 41.949 0.2 1 1044 599 90 LEU CG C 26.163 0.2 1 1045 599 90 LEU CD1 C 25.237 0.2 1 1046 599 90 LEU CD2 C 22.286 0.2 1 1047 599 90 LEU N N 121.464 0.2 1 1048 600 91 GLN H H 8.132 0.02 1 1049 600 91 GLN HA H 4.202 0.02 1 1050 600 91 GLN HB2 H 1.869 0.02 1 1051 600 91 GLN HB3 H 1.869 0.02 1 1052 600 91 GLN HG2 H 2.209 0.02 1 1053 600 91 GLN HG3 H 2.209 0.02 1 1054 600 91 GLN HE21 H 7.543 0.02 2 1055 600 91 GLN HE22 H 6.802 0.02 2 1056 600 91 GLN C C 175.224 0.2 1 1057 600 91 GLN CA C 55.373 0.2 1 1058 600 91 GLN CB C 29.042 0.2 1 1059 600 91 GLN CG C 33.828 0.2 1 1060 600 91 GLN CD C 180.366 0.2 1 1061 600 91 GLN N N 121.519 0.2 1 1062 600 91 GLN NE2 N 112.463 0.2 1 1063 601 92 LEU H H 8.057 0.02 1 1064 601 92 LEU HA H 4.238 0.02 1 1065 601 92 LEU HB2 H 1.462 0.02 1 1066 601 92 LEU HB3 H 1.462 0.02 1 1067 601 92 LEU HG H 1.414 0.02 1 1068 601 92 LEU HD1 H 0.76 0.02 1 1069 601 92 LEU HD2 H 0.716 0.02 1 1070 601 92 LEU C C 176.99 0.2 1 1071 601 92 LEU CA C 54.813 0.2 1 1072 601 92 LEU CB C 42.449 0.2 1 1073 601 92 LEU CG C 27.008 0.2 1 1074 601 92 LEU CD1 C 25.083 0.2 1 1075 601 92 LEU CD2 C 23.715 0.2 1 1076 601 92 LEU N N 123.531 0.2 1 1077 602 93 LYS H H 8.303 0.02 1 1078 602 93 LYS HA H 4.257 0.02 1 1079 602 93 LYS HB2 H 1.7 0.02 1 1080 602 93 LYS HB3 H 1.7 0.02 1 1081 602 93 LYS HG2 H 1.346 0.02 1 1082 602 93 LYS HG3 H 1.346 0.02 1 1083 602 93 LYS HD2 H 1.624 0.02 1 1084 602 93 LYS HD3 H 1.624 0.02 1 1085 602 93 LYS HE2 H 2.963 0.02 1 1086 602 93 LYS HE3 H 2.963 0.02 1 1087 602 93 LYS C C 176.076 0.2 1 1088 602 93 LYS CA C 56.034 0.2 1 1089 602 93 LYS CB C 33.021 0.2 1 1090 602 93 LYS CG C 24.712 0.2 1 1091 602 93 LYS CD C 28.816 0.2 1 1092 602 93 LYS CE C 42.219 0.2 1 1093 602 93 LYS N N 122.626 0.2 1 1094 603 94 LYS H H 8.299 0.02 1 1095 603 94 LYS HA H 4.546 0.02 1 1096 603 94 LYS HB2 H 1.665 0.02 2 1097 603 94 LYS HB3 H 1.789 0.02 2 1098 603 94 LYS HG2 H 1.41 0.02 1 1099 603 94 LYS HG3 H 1.41 0.02 1 1100 603 94 LYS HD2 H 1.662 0.02 1 1101 603 94 LYS HD3 H 1.662 0.02 1 1102 603 94 LYS HE2 H 2.966 0.02 1 1103 603 94 LYS HE3 H 2.966 0.02 1 1104 603 94 LYS C C 174.399 0.2 1 1105 603 94 LYS CA C 54.091 0.2 1 1106 603 94 LYS CB C 32.611 0.2 1 1107 603 94 LYS CG C 24.666 0.2 1 1108 603 94 LYS CD C 29.22 0.2 1 1109 603 94 LYS CE C 42.314 0.2 1 1110 603 94 LYS N N 124.057 0.2 1 1111 604 95 PRO HA H 4.391 0.02 1 1112 604 95 PRO HB2 H 1.933 0.02 2 1113 604 95 PRO HB3 H 2.274 0.02 2 1114 604 95 PRO HG2 H 1.975 0.02 1 1115 604 95 PRO HG3 H 1.975 0.02 1 1116 604 95 PRO HD2 H 3.613 0.02 2 1117 604 95 PRO HD3 H 3.78 0.02 2 1118 604 95 PRO C C 177.359 0.2 1 1119 604 95 PRO CA C 63.33 0.2 1 1120 604 95 PRO CB C 32.158 0.2 1 1121 604 95 PRO CG C 27.349 0.2 1 1122 604 95 PRO CD C 50.702 0.2 1 1123 605 96 GLY H H 8.403 0.02 1 1124 605 96 GLY HA2 H 3.955 0.02 1 1125 605 96 GLY HA3 H 3.955 0.02 1 1126 605 96 GLY C C 173.9 0.2 1 1127 605 96 GLY CA C 45.075 0.2 1 1128 605 96 GLY N N 109.343 0.2 1 1129 606 97 LYS H H 8.208 0.02 1 1130 606 97 LYS HA H 4.3 0.02 1 1131 606 97 LYS HB2 H 1.741 0.02 1 1132 606 97 LYS HB3 H 1.741 0.02 1 1133 606 97 LYS HG2 H 1.399 0.02 1 1134 606 97 LYS HG3 H 1.399 0.02 1 1135 606 97 LYS HD2 H 1.668 0.02 1 1136 606 97 LYS HD3 H 1.668 0.02 1 1137 606 97 LYS HE2 H 2.95 0.02 1 1138 606 97 LYS HE3 H 2.95 0.02 1 1139 606 97 LYS C C 176.328 0.2 1 1140 606 97 LYS CA C 56.366 0.2 1 1141 606 97 LYS CB C 33.125 0.2 1 1142 606 97 LYS CG C 24.693 0.2 1 1143 606 97 LYS CD C 29.011 0.2 1 1144 606 97 LYS CE C 42.215 0.2 1 1145 606 97 LYS N N 120.738 0.2 1 1146 607 98 ASN H H 8.546 0.02 1 1147 607 98 ASN HB2 H 2.754 0.02 1 1148 607 98 ASN HB3 H 2.754 0.02 1 1149 607 98 ASN HD21 H 7.615 0.02 2 1150 607 98 ASN HD22 H 6.935 0.02 2 1151 607 98 ASN C C 175.235 0.2 1 1152 607 98 ASN CA C 53.365 0.2 1 1153 607 98 ASN CB C 38.548 0.2 1 1154 607 98 ASN CG C 177.06 0.2 1 1155 607 98 ASN N N 120.197 0.2 1 1156 607 98 ASN ND2 N 112.86 0.2 1 1157 608 99 VAL H H 8.087 0.02 1 1158 608 99 VAL HA H 4.033 0.02 1 1159 608 99 VAL HB H 2.078 0.02 1 1160 608 99 VAL HG1 H 0.924 0.02 1 1161 608 99 VAL HG2 H 0.919 0.02 1 1162 608 99 VAL C C 175.857 0.2 1 1163 608 99 VAL CA C 62.812 0.2 1 1164 608 99 VAL CB C 32.547 0.2 1 1165 608 99 VAL CG1 C 21.26 0.2 1 1166 608 99 VAL CG2 C 20.654 0.2 1 1167 608 99 VAL N N 120.827 0.2 1 1168 609 100 ALA H H 8.282 0.02 1 1169 609 100 ALA HA H 4.264 0.02 1 1170 609 100 ALA HB H 1.371 0.02 1 1171 609 100 ALA C C 177.649 0.2 1 1172 609 100 ALA CA C 52.791 0.2 1 1173 609 100 ALA CB C 19.043 0.2 1 1174 609 100 ALA N N 126.397 0.2 1 1175 610 101 ALA H H 8.058 0.02 1 1176 610 101 ALA HA H 4.257 0.02 1 1177 610 101 ALA HB H 1.383 0.02 1 1178 610 101 ALA C C 177.804 0.2 1 1179 610 101 ALA CA C 52.797 0.2 1 1180 610 101 ALA CB C 19.135 0.2 1 1181 610 101 ALA N N 122.672 0.2 1 1182 611 102 ILE H H 7.992 0.02 1 1183 611 102 ILE HA H 4.068 0.02 1 1184 611 102 ILE HB H 1.829 0.02 1 1185 611 102 ILE HG12 H 1.134 0.02 2 1186 611 102 ILE HG13 H 1.488 0.02 2 1187 611 102 ILE HG2 H 0.845 0.02 1 1188 611 102 ILE HD1 H 0.809 0.02 1 1189 611 102 ILE C C 176.481 0.2 1 1190 611 102 ILE CA C 61.607 0.2 1 1191 611 102 ILE CB C 38.534 0.2 1 1192 611 102 ILE CG1 C 27.516 0.2 1 1193 611 102 ILE CG2 C 17.507 0.2 1 1194 611 102 ILE CD1 C 12.95 0.2 1 1195 611 102 ILE N N 120.126 0.2 1 1196 612 103 ILE H H 8.189 0.02 1 1197 612 103 ILE HA H 4.037 0.02 1 1198 612 103 ILE HB H 1.826 0.02 1 1199 612 103 ILE HG12 H 1.122 0.02 2 1200 612 103 ILE HG13 H 1.487 0.02 2 1201 612 103 ILE HG2 H 0.841 0.02 1 1202 612 103 ILE HD1 H 0.805 0.02 1 1203 612 103 ILE C C 176.283 0.2 1 1204 612 103 ILE CA C 61.636 0.2 1 1205 612 103 ILE CB C 38.329 0.2 1 1206 612 103 ILE CG1 C 27.602 0.2 1 1207 612 103 ILE CG2 C 17.383 0.2 1 1208 612 103 ILE CD1 C 12.901 0.2 1 1209 612 103 ILE N N 124.489 0.2 1 1210 613 104 GLN H H 8.33 0.02 1 1211 613 104 GLN HA H 4.32 0.02 1 1212 613 104 GLN HB2 H 2.028 0.02 1 1213 613 104 GLN HB3 H 2.028 0.02 1 1214 613 104 GLN HG2 H 2.337 0.02 1 1215 613 104 GLN HG3 H 2.337 0.02 1 1216 613 104 GLN HE21 H 7.545 0.02 2 1217 613 104 GLN HE22 H 6.84 0.02 2 1218 613 104 GLN C C 175.682 0.2 1 1219 613 104 GLN CA C 56.184 0.2 1 1220 613 104 GLN CB C 29.421 0.2 1 1221 613 104 GLN CG C 33.727 0.2 1 1222 613 104 GLN CD C 180.4 0.2 1 1223 613 104 GLN N N 123.952 0.2 1 1224 613 104 GLN NE2 N 112.5 0.2 1 1225 614 105 ASP H H 8.307 0.02 1 1226 614 105 ASP HA H 4.614 0.02 1 1227 614 105 ASP HB2 H 2.638 0.02 2 1228 614 105 ASP HB3 H 2.707 0.02 2 1229 614 105 ASP C C 176.853 0.2 1 1230 614 105 ASP CA C 53.347 0.2 1 1231 614 105 ASP CB C 41.253 0.2 1 1232 614 105 ASP N N 122.174 0.2 1 1233 615 106 ILE H H 8.087 0.02 1 1234 615 106 ILE HA H 4.027 0.02 1 1235 615 106 ILE HB H 1.824 0.02 1 1236 615 106 ILE HG12 H 1.071 0.02 2 1237 615 106 ILE HG13 H 1.224 0.02 2 1238 615 106 ILE HG2 H 0.77 0.02 1 1239 615 106 ILE HD1 H 0.76 0.02 1 1240 615 106 ILE C C 176.71 0.2 1 1241 615 106 ILE CA C 62.341 0.2 1 1242 615 106 ILE CB C 38.389 0.2 1 1243 615 106 ILE CG1 C 27.133 0.2 1 1244 615 106 ILE CG2 C 17.41 0.2 1 1245 615 106 ILE CD1 C 13.531 0.2 1 1246 615 106 ILE N N 120.78 0.2 1 1247 616 107 HIS H H 8.373 0.02 1 1248 616 107 HIS HA H 4.643 0.02 1 1249 616 107 HIS HB2 H 3.242 0.02 2 1250 616 107 HIS HB3 H 3.125 0.02 2 1251 616 107 HIS HD2 H 7.101 0.02 1 1252 616 107 HIS HE1 H 8.034 0.02 1 1253 616 107 HIS C C 175.597 0.2 1 1254 616 107 HIS CA C 56.524 0.2 1 1255 616 107 HIS CB C 29.867 0.2 1 1256 616 107 HIS CD2 C 119.818 0.2 1 1257 616 107 HIS CE1 C 137.653 0.2 1 1258 616 107 HIS N N 121.383 0.2 1 1259 617 108 SER H H 8.141 0.02 1 1260 617 108 SER HA H 4.368 0.02 1 1261 617 108 SER HB2 H 3.883 0.02 1 1262 617 108 SER HB3 H 3.883 0.02 1 1263 617 108 SER C C 174.583 0.2 1 1264 617 108 SER CA C 58.878 0.2 1 1265 617 108 SER CB C 63.764 0.2 1 1266 617 108 SER N N 116.231 0.2 1 1267 618 109 GLN H H 8.3 0.02 1 1268 618 109 GLN HA H 4.315 0.02 1 1269 618 109 GLN HB2 H 1.981 0.02 2 1270 618 109 GLN HB3 H 2.059 0.02 2 1271 618 109 GLN HG2 H 2.357 0.02 1 1272 618 109 GLN HG3 H 2.357 0.02 1 1273 618 109 GLN HE21 H 7.545 0.02 2 1274 618 109 GLN HE22 H 6.84 0.02 2 1275 618 109 GLN C C 175.853 0.2 1 1276 618 109 GLN CA C 56.085 0.2 1 1277 618 109 GLN CB C 29.26 0.2 1 1278 618 109 GLN CG C 33.806 0.2 1 1279 618 109 GLN CD C 180.4 0.2 1 1280 618 109 GLN N N 121.843 0.2 1 1281 618 109 GLN NE2 N 112.5 0.2 1 1282 619 110 ARG H H 8.208 0.02 1 1283 619 110 ARG HA H 4.322 0.02 1 1284 619 110 ARG HB2 H 1.77 0.02 2 1285 619 110 ARG HB3 H 1.854 0.02 2 1286 619 110 ARG HG2 H 1.631 0.02 1 1287 619 110 ARG HG3 H 1.631 0.02 1 1288 619 110 ARG HD2 H 3.185 0.02 1 1289 619 110 ARG HD3 H 3.185 0.02 1 1290 619 110 ARG C C 176.118 0.2 1 1291 619 110 ARG CA C 56.181 0.2 1 1292 619 110 ARG CB C 30.944 0.2 1 1293 619 110 ARG CG C 27.035 0.2 1 1294 619 110 ARG CD C 43.416 0.2 1 1295 619 110 ARG N N 121.654 0.2 1 1296 620 111 GLU H H 8.445 0.02 1 1297 620 111 GLU HA H 4.268 0.02 1 1298 620 111 GLU HB2 H 2.005 0.02 1 1299 620 111 GLU HB3 H 2.005 0.02 1 1300 620 111 GLU HG2 H 2.268 0.02 1 1301 620 111 GLU HG3 H 2.268 0.02 1 1302 620 111 GLU C C 175.481 0.2 1 1303 620 111 GLU CA C 56.766 0.2 1 1304 620 111 GLU CB C 30.252 0.2 1 1305 620 111 GLU CG C 36.396 0.2 1 1306 620 111 GLU N N 122.333 0.2 1 1307 621 112 ARG H H 7.918 0.02 1 1308 621 112 ARG HA H 4.143 0.02 1 1309 621 112 ARG HB2 H 1.698 0.02 2 1310 621 112 ARG HB3 H 1.821 0.02 2 1311 621 112 ARG HG2 H 1.577 0.02 1 1312 621 112 ARG HG3 H 1.577 0.02 1 1313 621 112 ARG HD2 H 3.167 0.02 1 1314 621 112 ARG HD3 H 3.167 0.02 1 1315 621 112 ARG C C 180.846 0.2 1 1316 621 112 ARG CA C 57.379 0.2 1 1317 621 112 ARG CB C 31.492 0.2 1 1318 621 112 ARG CG C 27.211 0.2 1 1319 621 112 ARG CD C 43.619 0.2 1 1320 621 112 ARG N N 126.425 0.2 1 stop_ save_