data_34428 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Mouse RBM20 RRM domain in complex with AUCUUA RNA ; _BMRB_accession_number 34428 _BMRB_flat_file_name bmr34428.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 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 716 "13C chemical shifts" 501 "15N chemical shifts" 123 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 34429 'Mouse RBM20 RRM domain' 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/RNA Complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 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 RNA _Name_common entity_1 _Molecular_mass 1757.153 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 6 _Mol_residue_sequence ; XUCUUA ; loop_ _Residue_seq_code _Residue_label 1 ADN 2 U 3 C 4 U 5 U 6 A stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 12571.588 _Mol_thiol_state 'all free' _Details . _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_ ###################### # Polymer residues # ###################### save_chem_comp_ADN _Saveframe_category polymer_residue _Mol_type NON-POLYMER _Name_common ADENOSINE _BMRB_code ADN _PDB_code ADN _Standard_residue_derivative . _Molecular_mass 267.241 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons O5' O5' O . 0 . ? C5' C5' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C1' C1' C . 0 . ? N9 N9 N . 0 . ? C8 C8 C . 0 . ? N7 N7 N . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? N6 N6 N . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? HO5' HO5' H . 0 . ? H5'1 H5'1 H . 0 . ? H5'2 H5'2 H . 0 . ? H4' H4' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H2' H2' H . 0 . ? HO2' HO2' H . 0 . ? H1' H1' H . 0 . ? H8 H8 H . 0 . ? HN61 HN61 H . 0 . ? HN62 HN62 H . 0 . ? H2 H2 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 O5' C5' ? ? SING O5' HO5' ? ? SING C5' C4' ? ? SING C5' H5'1 ? ? SING C5' H5'2 ? ? SING C4' O4' ? ? SING C4' C3' ? ? SING C4' H4' ? ? SING O4' C1' ? ? SING C3' O3' ? ? SING C3' C2' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C2' O2' ? ? SING C2' C1' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C1' N9 ? ? SING C1' H1' ? ? SING N9 C8 ? ? SING N9 C4 ? ? DOUB C8 N7 ? ? SING C8 H8 ? ? SING N7 C5 ? ? SING C5 C6 ? ? DOUB C5 C4 ? ? SING C6 N6 ? ? DOUB C6 N1 ? ? SING N6 HN61 ? ? SING N6 HN62 ? ? SING N1 C2 ? ? DOUB C2 N3 ? ? SING C2 H2 ? ? SING N3 C4 ? ? stop_ 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 . 32630 . . . . . $entity_2 Mouse 10090 Eukaryota Metazoa . . 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 'chemical synthesis' . . . . . . $entity_2 'recombinant technology' . . . DE3 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, 480 uM AUCUUA, 20 mM sodium phosphate, 50 mM sodium chloride, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 400 uM '[U-99% 13C; U-99% 15N]' $entity_1 480 uM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '400 uM [U-99% 15N] Mouse RBM20 RRM domain, 480 uM AUCUUA, 20 mM sodium phosphate, 50 mM sodium chloride, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 400 uM '[U-99% 15N]' $entity_1 480 uM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details ; 500 uM [U-99% 13C; U-99% 15N] Mouse RBM20 RRM domain, 600 uM AUCUUA, 20 mM sodium phosphate, 50 mM sodium chloride, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 500 uM '[U-99% 13C; U-99% 15N]' $entity_1 600 uM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details '300 uM [U-99% 2H; U-99% 15N] Mouse RBM20 RRM domain, 290 uM AUCUUA, 20 mM sodium phosphate, 50 mM sodium chloride, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 300 uM '[U-99% 2H; U-99% 15N]' $entity_1 290 uM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details '300 uM [U-99% 13C] Mouse RBM20 RRM domain, 360 uM AUCUUA, 20 mM sodium phosphate, 50 mM sodium chloride, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 300 uM '[U-99% 13C]' $entity_1 360 uM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details ; 450 uM [U-10% 13C; U-99% 15N] Mouse RBM20 RRM domain, 560 uM AUCUUA, 20 mM sodium phosphate, 50 mM sodium chloride, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 450 uM '[U-10% 13C; U-99% 15N]' $entity_1 560 uM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' stop_ save_ save_sample_7 _Saveframe_category sample _Sample_type solution _Details ; 500 uM [U-99% 13C; U-99% 15N] Mouse RBM20 RRM domain, 600 uM AUCUUA, 20 mM sodium phosphate, 50 mM sodium chloride, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 500 uM '[U-99% 13C; U-99% 15N]' $entity_1 600 uM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 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 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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_5 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_CT_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC CT' _Sample_label $sample_6 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_5 save_ save_2D_1H-13C_HSQC_aromatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_5 save_ save_2D_1H-1H_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_4 save_ save_2D_1H-1H_TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_4 save_ save_2D_x2-filtered_1H-1H_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D x2-filtered 1H-1H NOESY' _Sample_label $sample_7 save_ save_2D_1H-13C_HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_4 save_ save_2D_x2-filtered_1H-1H_NOESY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D x2-filtered 1H-1H NOESY' _Sample_label $sample_5 save_ save_3D_(H)C(CO)NH-TOCSY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)C(CO)NH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_6 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_ save_sample_conditions_2 _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 278 . 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 water H 1 protons ppm 4.772 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HN(CA)CO' '3D HNCA' '3D CBCA(CO)NH' '3D HNHA' '3D HCCH-TOCSY' '2D 1H-13C HSQC CT' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '2D 1H-13C HSQC aromatic' '2D 1H-1H NOESY' '2D 1H-1H TOCSY' '2D x2-filtered 1H-1H NOESY' '3D (H)C(CO)NH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_5 $sample_6 $sample_2 $sample_4 $sample_7 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 1 1 ADN H1' H 6.044 0.02 1 2 1 1 ADN H2 H 8.178 0.02 1 3 1 1 ADN H2' H 4.864 0.02 1 4 1 1 ADN H3' H 4.697 0.02 1 5 1 1 ADN H4' H 4.425 0.02 1 6 1 1 ADN H5'1 H 3.921 0.02 2 7 1 1 ADN H5'2 H 3.825 0.02 2 8 1 1 ADN H8 H 8.31 0.02 1 9 1 1 ADN C1' C 91.382 0.2 1 10 1 1 ADN C2' C 75.523 0.2 1 11 1 1 ADN C3' C 74.653 0.2 1 12 1 1 ADN C4' C 87.823 0.2 1 13 1 1 ADN C5' C 63.679 0.2 1 14 1 1 ADN C8 C 143.18 0.2 1 15 2 2 U H1' H 6.04 0.02 1 16 2 2 U H2' H 4.294 0.02 1 17 2 2 U H3' H 4.658 0.02 1 18 2 2 U H4' H 4.521 0.02 1 19 2 2 U H5 H 5.752 0.02 1 20 2 2 U H5' H 4.168 0.02 2 21 2 2 U H5'' H 4.228 0.02 2 22 2 2 U H6 H 7.866 0.02 1 23 2 2 U C1' C 89.266 0.2 1 24 2 2 U C2' C 75.901 0.2 1 25 2 2 U C3' C 78.294 0.2 1 26 2 2 U C5 C 105.699 0.2 1 27 3 3 C H1' H 6.565 0.02 1 28 3 3 C H2' H 4.302 0.02 1 29 3 3 C H3' H 4.926 0.02 1 30 3 3 C H4' H 4.05 0.02 1 31 3 3 C H5 H 5.572 0.02 1 32 3 3 C H5' H 4.382 0.02 2 33 3 3 C H5'' H 4.2 0.02 2 34 3 3 C H6 H 7.33 0.02 1 35 3 3 C HO2' H 5.77 0.02 1 36 4 4 U H1' H 6.031 0.02 1 37 4 4 U H2' H 4.389 0.02 1 38 4 4 U H3 H 10.411 0.02 1 39 4 4 U H3' H 4.839 0.02 1 40 4 4 U H4' H 4.316 0.02 1 41 4 4 U H5 H 3.077 0.02 1 42 4 4 U H5' H 3.839 0.02 2 43 4 4 U H5'' H 4.04 0.02 2 44 4 4 U H6 H 7.271 0.02 1 45 4 4 U HO2' H 5.78 0.02 1 46 5 5 U H1' H 6.323 0.02 1 47 5 5 U H2' H 4.222 0.02 1 48 5 5 U H3 H 10.412 0.02 1 49 5 5 U H3' H 4.542 0.02 1 50 5 5 U H4' H 4.429 0.02 1 51 5 5 U H5 H 6.426 0.02 1 52 5 5 U H5' H 3.853 0.02 2 53 5 5 U H5'' H 4.053 0.02 2 54 5 5 U H6 H 7.992 0.02 1 55 5 5 U HO2' H 5.777 0.02 1 56 6 6 A H1' H 6.155 0.02 1 57 6 6 A H2 H 8.242 0.02 1 58 6 6 A H2' H 4.786 0.02 1 59 6 6 A H3' H 4.55 0.02 1 60 6 6 A H4' H 4.412 0.02 1 61 6 6 A H5' H 4.241 0.02 2 62 6 6 A H5'' H 4.236 0.02 2 63 6 6 A H8 H 8.437 0.02 1 64 6 6 A C1' C 89.962 0.2 1 65 6 6 A C2' C 75.622 0.2 1 66 6 6 A C3' C 72.895 0.2 1 67 6 6 A C4' C 86.149 0.2 1 68 6 6 A C5' C 68.743 0.2 1 69 6 6 A C8 C 141.971 0.2 1 stop_ save_ save_assigned_chemical_shifts_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HN(CA)CO' '3D HNCA' '3D CBCA(CO)NH' '3D HNHA' '3D HCCH-TOCSY' '2D 1H-13C HSQC CT' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '2D 1H-13C HSQC aromatic' '2D 1H-1H NOESY' '2D 1H-1H TOCSY' '2D x2-filtered 1H-1H NOESY' '3D (H)C(CO)NH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_5 $sample_6 $sample_2 $sample_4 $sample_7 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_2 _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 H H 8.496 0.02 1 2 511 2 ALA HA H 4.353 0.02 1 3 511 2 ALA HB H 1.391 0.02 1 4 511 2 ALA C C 177.875 0.2 1 5 511 2 ALA CA C 52.561 0.2 1 6 511 2 ALA CB C 19.256 0.2 1 7 511 2 ALA N N 120.258 0.2 1 8 512 3 MET H H 8.496 0.02 1 9 512 3 MET HA H 4.441 0.02 1 10 512 3 MET HB2 H 2.015 0.02 2 11 512 3 MET HB3 H 2.058 0.02 2 12 512 3 MET HG2 H 2.573 0.02 1 13 512 3 MET HG3 H 2.573 0.02 1 14 512 3 MET HE H 2.097 0.02 1 15 512 3 MET C C 176.102 0.2 1 16 512 3 MET CA C 55.547 0.2 1 17 512 3 MET CB C 32.745 0.2 1 18 512 3 MET CG C 31.846 0.2 1 19 512 3 MET CE C 16.947 0.2 1 20 512 3 MET N N 120.18 0.2 1 21 513 4 ALA H H 8.364 0.02 1 22 513 4 ALA HA H 4.295 0.02 1 23 513 4 ALA HB H 1.384 0.02 1 24 513 4 ALA C C 177.652 0.2 1 25 513 4 ALA CA C 52.548 0.2 1 26 513 4 ALA CB C 19.115 0.2 1 27 513 4 ALA N N 125.712 0.2 1 28 514 5 GLN H H 8.35 0.02 1 29 514 5 GLN HA H 4.325 0.02 1 30 514 5 GLN HB2 H 2.085 0.02 1 31 514 5 GLN HB3 H 2.085 0.02 1 32 514 5 GLN HG2 H 2.379 0.02 1 33 514 5 GLN HG3 H 2.379 0.02 1 34 514 5 GLN HE21 H 7.544 0.02 2 35 514 5 GLN HE22 H 6.897 0.02 2 36 514 5 GLN C C 176.067 0.2 1 37 514 5 GLN CA C 55.929 0.2 1 38 514 5 GLN CB C 29.86 0.2 1 39 514 5 GLN CG C 33.815 0.2 1 40 514 5 GLN N N 119.776 0.2 1 41 514 5 GLN NE2 N 112.47 0.2 1 42 515 6 ARG H H 8.432 0.02 1 43 515 6 ARG HA H 4.343 0.02 1 44 515 6 ARG HB2 H 1.856 0.02 1 45 515 6 ARG HB3 H 1.856 0.02 1 46 515 6 ARG HG2 H 1.666 0.02 1 47 515 6 ARG HG3 H 1.666 0.02 1 48 515 6 ARG HD2 H 3.18 0.02 1 49 515 6 ARG HD3 H 3.18 0.02 1 50 515 6 ARG C C 176.311 0.2 1 51 515 6 ARG CA C 56.151 0.2 1 52 515 6 ARG CB C 30.663 0.2 1 53 515 6 ARG CG C 27.272 0.2 1 54 515 6 ARG CD C 43.361 0.2 1 55 515 6 ARG N N 122.816 0.2 1 56 516 7 LYS H H 8.447 0.02 1 57 516 7 LYS HA H 4.344 0.02 1 58 516 7 LYS HB2 H 1.888 0.02 1 59 516 7 LYS HB3 H 1.888 0.02 1 60 516 7 LYS HG2 H 1.486 0.02 1 61 516 7 LYS HG3 H 1.486 0.02 1 62 516 7 LYS HD2 H 1.685 0.02 1 63 516 7 LYS HD3 H 1.685 0.02 1 64 516 7 LYS HE2 H 2.97 0.02 1 65 516 7 LYS HE3 H 2.97 0.02 1 66 516 7 LYS C C 177.119 0.2 1 67 516 7 LYS CA C 56.554 0.2 1 68 516 7 LYS CB C 33.156 0.2 1 69 516 7 LYS CG C 24.976 0.2 1 70 516 7 LYS CD C 29.187 0.2 1 71 516 7 LYS CE C 42.138 0.2 1 72 516 7 LYS N N 122.942 0.2 1 73 517 8 GLY H H 8.473 0.02 1 74 517 8 GLY HA2 H 3.958 0.02 1 75 517 8 GLY HA3 H 3.958 0.02 1 76 517 8 GLY C C 173.577 0.2 1 77 517 8 GLY CA C 45.219 0.2 1 78 517 8 GLY N N 110.276 0.2 1 79 518 9 ALA H H 8.108 0.02 1 80 518 9 ALA HA H 4.38 0.02 1 81 518 9 ALA HB H 1.438 0.02 1 82 518 9 ALA C C 177.64 0.2 1 83 518 9 ALA CA C 52.475 0.2 1 84 518 9 ALA CB C 20.017 0.2 1 85 518 9 ALA N N 123.036 0.2 1 86 519 10 GLY H H 8.418 0.02 1 87 519 10 GLY HA2 H 4.197 0.02 2 88 519 10 GLY HA3 H 4.292 0.02 2 89 519 10 GLY C C 173.588 0.2 1 90 519 10 GLY CA C 45.222 0.2 1 91 519 10 GLY N N 106.65 0.2 1 92 520 11 ARG H H 8.571 0.02 1 93 520 11 ARG HA H 4.454 0.02 1 94 520 11 ARG HG2 H 1.413 0.02 1 95 520 11 ARG HG3 H 1.413 0.02 1 96 520 11 ARG HD2 H 3.034 0.02 2 97 520 11 ARG HD3 H 3.298 0.02 2 98 520 11 ARG HE H 7.341 0.02 1 99 520 11 ARG C C 173.972 0.2 1 100 520 11 ARG CA C 55.4 0.2 1 101 520 11 ARG CB C 31.424 0.2 1 102 520 11 ARG CG C 27.093 0.2 1 103 520 11 ARG CD C 44.459 0.2 1 104 520 11 ARG N N 117.102 0.2 1 105 520 11 ARG NE N 84.659 0.2 1 106 521 12 VAL H H 8.388 0.02 1 107 521 12 VAL HA H 4.736 0.02 1 108 521 12 VAL HB H 2 0.02 1 109 521 12 VAL HG1 H 0.619 0.02 1 110 521 12 VAL HG2 H 0.484 0.02 1 111 521 12 VAL C C 174.462 0.2 1 112 521 12 VAL CA C 61.812 0.2 1 113 521 12 VAL CB C 32.3 0.2 1 114 521 12 VAL CG1 C 22.785 0.2 1 115 521 12 VAL CG2 C 21.852 0.2 1 116 521 12 VAL N N 119.627 0.2 1 117 522 13 VAL H H 9.533 0.02 1 118 522 13 VAL HA H 4.396 0.02 1 119 522 13 VAL HB H 1.995 0.02 1 120 522 13 VAL HG1 H 0.91 0.02 1 121 522 13 VAL HG2 H 1.08 0.02 1 122 522 13 VAL C C 173.612 0.2 1 123 522 13 VAL CA C 61.723 0.2 1 124 522 13 VAL CB C 34.548 0.2 1 125 522 13 VAL CG1 C 22.393 0.2 1 126 522 13 VAL CG2 C 21.341 0.2 1 127 522 13 VAL N N 129.884 0.2 1 128 523 14 HIS H H 9.915 0.02 1 129 523 14 HIS HA H 5.153 0.02 1 130 523 14 HIS HB2 H 2.922 0.02 2 131 523 14 HIS HB3 H 2.712 0.02 2 132 523 14 HIS HD2 H 6.132 0.02 1 133 523 14 HIS HE1 H 7.494 0.02 1 134 523 14 HIS C C 172.695 0.2 1 135 523 14 HIS CA C 56.636 0.2 1 136 523 14 HIS CB C 34.588 0.2 1 137 523 14 HIS CD2 C 116.194 0.2 1 138 523 14 HIS CE1 C 138.373 0.2 1 139 523 14 HIS N N 128.207 0.2 1 140 524 15 ILE H H 8.362 0.02 1 141 524 15 ILE HA H 4.602 0.02 1 142 524 15 ILE HB H 1.289 0.02 1 143 524 15 ILE HG12 H 0.804 0.02 2 144 524 15 ILE HG13 H 1.424 0.02 2 145 524 15 ILE HG2 H 0.587 0.02 1 146 524 15 ILE HD1 H 0.662 0.02 1 147 524 15 ILE C C 174.012 0.2 1 148 524 15 ILE CA C 59.968 0.2 1 149 524 15 ILE CB C 41.734 0.2 1 150 524 15 ILE CG1 C 28.175 0.2 1 151 524 15 ILE CG2 C 18.768 0.2 1 152 524 15 ILE CD1 C 16.006 0.2 1 153 524 15 ILE N N 126.766 0.2 1 154 525 16 CYS H H 8.72 0.02 1 155 525 16 CYS HA H 5.169 0.02 1 156 525 16 CYS HB2 H 3.011 0.02 2 157 525 16 CYS HB3 H 2.833 0.02 2 158 525 16 CYS C C 172.46 0.2 1 159 525 16 CYS CA C 56.053 0.2 1 160 525 16 CYS CB C 31.262 0.2 1 161 525 16 CYS N N 118.997 0.2 1 162 526 17 ASN H H 9.146 0.02 1 163 526 17 ASN HA H 4.336 0.02 1 164 526 17 ASN HB2 H 3.161 0.02 2 165 526 17 ASN HB3 H 3.331 0.02 2 166 526 17 ASN HD21 H 7.585 0.02 2 167 526 17 ASN HD22 H 7.353 0.02 2 168 526 17 ASN C C 174.856 0.2 1 169 526 17 ASN CA C 54.112 0.2 1 170 526 17 ASN CB C 37.121 0.2 1 171 526 17 ASN N N 115.09 0.2 1 172 526 17 ASN ND2 N 113.04 0.2 1 173 527 18 LEU H H 7.344 0.02 1 174 527 18 LEU HA H 3.96 0.02 1 175 527 18 LEU HB2 H 1.006 0.02 2 176 527 18 LEU HB3 H 1.173 0.02 2 177 527 18 LEU HD1 H 0.426 0.02 1 178 527 18 LEU HD2 H 0.619 0.02 1 179 527 18 LEU CA C 53.571 0.2 1 180 527 18 LEU CB C 41.684 0.2 1 181 527 18 LEU CG C 27.14 0.2 1 182 527 18 LEU CD1 C 26.358 0.2 1 183 527 18 LEU CD2 C 24.669 0.2 1 184 527 18 LEU N N 116.543 0.2 1 185 528 19 PRO HA H 4.364 0.02 1 186 528 19 PRO HB2 H 2.204 0.02 2 187 528 19 PRO HB3 H 1.868 0.02 2 188 528 19 PRO HG2 H 2.027 0.02 1 189 528 19 PRO HG3 H 2.027 0.02 1 190 528 19 PRO HD2 H 3.754 0.02 2 191 528 19 PRO HD3 H 3.361 0.02 2 192 528 19 PRO C C 177.058 0.2 1 193 528 19 PRO CA C 61.894 0.2 1 194 528 19 PRO CB C 31.79 0.2 1 195 528 19 PRO CG C 27.156 0.2 1 196 528 19 PRO CD C 50.055 0.2 1 197 529 20 GLU H H 8.7 0.02 1 198 529 20 GLU HA H 4.011 0.02 1 199 529 20 GLU HB2 H 2.061 0.02 2 200 529 20 GLU HB3 H 1.91 0.02 2 201 529 20 GLU HG2 H 2.28 0.02 1 202 529 20 GLU HG3 H 2.28 0.02 1 203 529 20 GLU C C 178.01 0.2 1 204 529 20 GLU CA C 58.445 0.2 1 205 529 20 GLU CB C 29.426 0.2 1 206 529 20 GLU CG C 35.72 0.2 1 207 529 20 GLU N N 123.648 0.2 1 208 530 21 GLY H H 8.989 0.02 1 209 530 21 GLY HA2 H 4.29 0.02 2 210 530 21 GLY HA3 H 3.732 0.02 2 211 530 21 GLY C C 175.134 0.2 1 212 530 21 GLY CA C 45.441 0.2 1 213 530 21 GLY N N 114.857 0.2 1 214 531 22 SER H H 8.059 0.02 1 215 531 22 SER HA H 4.764 0.02 1 216 531 22 SER HB2 H 3.601 0.02 2 217 531 22 SER HB3 H 3.901 0.02 2 218 531 22 SER C C 172.624 0.2 1 219 531 22 SER CA C 58.626 0.2 1 220 531 22 SER CB C 64.094 0.2 1 221 531 22 SER N N 114.363 0.2 1 222 532 23 CYS H H 8.065 0.02 1 223 532 23 CYS HA H 4.527 0.02 1 224 532 23 CYS HB2 H 2.598 0.02 2 225 532 23 CYS HB3 H 3.055 0.02 2 226 532 23 CYS C C 173.282 0.2 1 227 532 23 CYS CA C 57.737 0.2 1 228 532 23 CYS CB C 24.78 0.2 1 229 532 23 CYS N N 122.922 0.2 1 230 533 24 THR H H 7.712 0.02 1 231 533 24 THR HA H 4.58 0.02 1 232 533 24 THR HB H 4.364 0.02 1 233 533 24 THR HG2 H 1.107 0.02 1 234 533 24 THR C C 173.461 0.2 1 235 533 24 THR CA C 59.475 0.2 1 236 533 24 THR CB C 72.464 0.2 1 237 533 24 THR CG2 C 21.037 0.2 1 238 533 24 THR N N 112.106 0.2 1 239 534 25 GLU H H 9.692 0.02 1 240 534 25 GLU HA H 3.346 0.02 1 241 534 25 GLU HB2 H 1.908 0.02 2 242 534 25 GLU HB3 H 1.568 0.02 2 243 534 25 GLU HG2 H 2.459 0.02 2 244 534 25 GLU HG3 H 2.09 0.02 2 245 534 25 GLU C C 177.153 0.2 1 246 534 25 GLU CA C 61.449 0.2 1 247 534 25 GLU CB C 28.16 0.2 1 248 534 25 GLU CG C 37.247 0.2 1 249 534 25 GLU N N 121.642 0.2 1 250 535 26 ASN H H 8.29 0.02 1 251 535 26 ASN HA H 3.979 0.02 1 252 535 26 ASN HB2 H 2.612 0.02 2 253 535 26 ASN HB3 H 2.563 0.02 2 254 535 26 ASN HD21 H 7.363 0.02 2 255 535 26 ASN HD22 H 6.848 0.02 2 256 535 26 ASN C C 177.103 0.2 1 257 535 26 ASN CA C 56.646 0.2 1 258 535 26 ASN CB C 37.836 0.2 1 259 535 26 ASN N N 115.453 0.2 1 260 535 26 ASN ND2 N 110.319 0.2 1 261 536 27 ASP H H 7.524 0.02 1 262 536 27 ASP HA H 4.253 0.02 1 263 536 27 ASP HB2 H 2.44 0.02 2 264 536 27 ASP HB3 H 2.855 0.02 2 265 536 27 ASP C C 178.036 0.2 1 266 536 27 ASP CA C 57.745 0.2 1 267 536 27 ASP CB C 41.729 0.2 1 268 536 27 ASP N N 116.362 0.2 1 269 537 28 VAL H H 7.642 0.02 1 270 537 28 VAL HA H 3.597 0.02 1 271 537 28 VAL HB H 1.863 0.02 1 272 537 28 VAL HG1 H 0.683 0.02 1 273 537 28 VAL HG2 H 0.864 0.02 1 274 537 28 VAL C C 177.443 0.2 1 275 537 28 VAL CA C 66.22 0.2 1 276 537 28 VAL CB C 31.818 0.2 1 277 537 28 VAL CG1 C 21.263 0.2 1 278 537 28 VAL CG2 C 23.483 0.2 1 279 537 28 VAL N N 115.37 0.2 1 280 538 29 ILE H H 8.145 0.02 1 281 538 29 ILE HA H 3.647 0.02 1 282 538 29 ILE HB H 1.817 0.02 1 283 538 29 ILE HG12 H 0.963 0.02 2 284 538 29 ILE HG13 H 1.314 0.02 2 285 538 29 ILE HG2 H 0.739 0.02 1 286 538 29 ILE HD1 H 0.446 0.02 1 287 538 29 ILE C C 178.947 0.2 1 288 538 29 ILE CA C 65.589 0.2 1 289 538 29 ILE CB C 36.812 0.2 1 290 538 29 ILE CG1 C 30.992 0.2 1 291 538 29 ILE CG2 C 17.821 0.2 1 292 538 29 ILE CD1 C 13.233 0.2 1 293 538 29 ILE N N 118.72 0.2 1 294 539 30 ASN H H 7.529 0.02 1 295 539 30 ASN HA H 4.44 0.02 1 296 539 30 ASN HB2 H 2.949 0.02 2 297 539 30 ASN HB3 H 2.714 0.02 2 298 539 30 ASN HD21 H 7.542 0.02 1 299 539 30 ASN HD22 H 6.585 0.02 1 300 539 30 ASN C C 177.057 0.2 1 301 539 30 ASN CA C 56.112 0.2 1 302 539 30 ASN CB C 39.03 0.2 1 303 539 30 ASN N N 115.242 0.2 1 304 539 30 ASN ND2 N 112.121 0.2 1 305 540 31 LEU H H 7.283 0.02 1 306 540 31 LEU HA H 4.246 0.02 1 307 540 31 LEU HB2 H 1.143 0.02 2 308 540 31 LEU HB3 H 2.05 0.02 2 309 540 31 LEU HD1 H 0.646 0.02 1 310 540 31 LEU HD2 H 0.663 0.02 1 311 540 31 LEU C C 179.812 0.2 1 312 540 31 LEU CA C 57.078 0.2 1 313 540 31 LEU CB C 42.653 0.2 1 314 540 31 LEU CG C 26.588 0.2 1 315 540 31 LEU CD1 C 26.457 0.2 1 316 540 31 LEU CD2 C 22.233 0.2 1 317 540 31 LEU N N 115.223 0.2 1 318 541 32 GLY H H 7.693 0.02 1 319 541 32 GLY HA2 H 5.096 0.02 2 320 541 32 GLY HA3 H 3.517 0.02 2 321 541 32 GLY C C 173.387 0.2 1 322 541 32 GLY CA C 46.342 0.2 1 323 541 32 GLY N N 102.995 0.2 1 324 542 33 LEU H H 7.3 0.02 1 325 542 33 LEU HA H 4.589 0.02 1 326 542 33 LEU HB2 H 1.549 0.02 2 327 542 33 LEU HB3 H 1.848 0.02 2 328 542 33 LEU HD1 H 0.953 0.02 1 329 542 33 LEU HD2 H 0.903 0.02 1 330 542 33 LEU C C 175.642 0.2 1 331 542 33 LEU CA C 58.116 0.2 1 332 542 33 LEU CB C 40.155 0.2 1 333 542 33 LEU CD1 C 25.61 0.2 1 334 542 33 LEU CD2 C 22.951 0.2 1 335 542 33 LEU N N 119.888 0.2 1 336 543 34 PRO HA H 4.046 0.02 1 337 543 34 PRO HB2 H 0.104 0.02 2 338 543 34 PRO HB3 H 1.763 0.02 2 339 543 34 PRO HG2 H 1.703 0.02 1 340 543 34 PRO HG3 H 1.703 0.02 1 341 543 34 PRO HD2 H 3.801 0.02 2 342 543 34 PRO HD3 H 3.124 0.02 2 343 543 34 PRO C C 176.836 0.2 1 344 543 34 PRO CA C 64.897 0.2 1 345 543 34 PRO CB C 30.663 0.2 1 346 543 34 PRO CG C 28.021 0.2 1 347 543 34 PRO CD C 51.361 0.2 1 348 544 35 PHE H H 7.846 0.02 1 349 544 35 PHE HA H 4.241 0.02 1 350 544 35 PHE HB2 H 3.478 0.02 2 351 544 35 PHE HB3 H 2.822 0.02 2 352 544 35 PHE HD1 H 7.274 0.02 1 353 544 35 PHE HD2 H 7.274 0.02 1 354 544 35 PHE HE1 H 7.112 0.02 1 355 544 35 PHE HE2 H 7.112 0.02 1 356 544 35 PHE HZ H 5.991 0.02 1 357 544 35 PHE C C 174.893 0.2 1 358 544 35 PHE CA C 58.669 0.2 1 359 544 35 PHE CB C 39.771 0.2 1 360 544 35 PHE CD1 C 131.598 0.2 1 361 544 35 PHE CD2 C 131.598 0.2 1 362 544 35 PHE CE1 C 131.697 0.2 1 363 544 35 PHE CE2 C 131.697 0.2 1 364 544 35 PHE CZ C 129.079 0.2 1 365 544 35 PHE N N 112.508 0.2 1 366 545 36 GLY H H 7.517 0.02 1 367 545 36 GLY HA2 H 3.854 0.02 2 368 545 36 GLY HA3 H 4.281 0.02 2 369 545 36 GLY C C 170.347 0.2 1 370 545 36 GLY CA C 44.745 0.2 1 371 545 36 GLY N N 106.276 0.2 1 372 546 37 LYS H H 8.204 0.02 1 373 546 37 LYS HA H 4.26 0.02 1 374 546 37 LYS HB2 H 1.761 0.02 2 375 546 37 LYS HB3 H 1.665 0.02 2 376 546 37 LYS HG2 H 1.484 0.02 2 377 546 37 LYS HG3 H 1.334 0.02 2 378 546 37 LYS C C 176.14 0.2 1 379 546 37 LYS CA C 56.797 0.2 1 380 546 37 LYS CB C 33.283 0.2 1 381 546 37 LYS CG C 25.481 0.2 1 382 546 37 LYS N N 118.522 0.2 1 383 547 38 VAL H H 8.118 0.02 1 384 547 38 VAL HA H 4.644 0.02 1 385 547 38 VAL HB H 1.972 0.02 1 386 547 38 VAL HG1 H 1.137 0.02 1 387 547 38 VAL HG2 H 1.155 0.02 1 388 547 38 VAL C C 176.189 0.2 1 389 547 38 VAL CA C 61.688 0.2 1 390 547 38 VAL CB C 33.622 0.2 1 391 547 38 VAL CG1 C 22.376 0.2 1 392 547 38 VAL CG2 C 20.884 0.2 1 393 547 38 VAL N N 129.271 0.2 1 394 548 39 THR H H 9.165 0.02 1 395 548 39 THR HA H 4.41 0.02 1 396 548 39 THR HB H 4.245 0.02 1 397 548 39 THR HG2 H 0.953 0.02 1 398 548 39 THR C C 175.799 0.2 1 399 548 39 THR CA C 62.415 0.2 1 400 548 39 THR CB C 68.616 0.2 1 401 548 39 THR CG2 C 23.091 0.2 1 402 548 39 THR N N 115.922 0.2 1 403 549 40 ASN H H 8.206 0.02 1 404 549 40 ASN HA H 4.97 0.02 1 405 549 40 ASN HB2 H 2.191 0.02 2 406 549 40 ASN HB3 H 2.844 0.02 2 407 549 40 ASN HD21 H 8.217 0.02 2 408 549 40 ASN HD22 H 6.426 0.02 2 409 549 40 ASN C C 172.977 0.2 1 410 549 40 ASN CA C 52.907 0.2 1 411 549 40 ASN CB C 43.925 0.2 1 412 549 40 ASN N N 119.054 0.2 1 413 549 40 ASN ND2 N 110.861 0.2 1 414 550 41 TYR H H 8.374 0.02 1 415 550 41 TYR HA H 4.951 0.02 1 416 550 41 TYR HB2 H 2.887 0.02 2 417 550 41 TYR HB3 H 3.004 0.02 2 418 550 41 TYR HD1 H 6.64 0.02 1 419 550 41 TYR HD2 H 6.64 0.02 1 420 550 41 TYR HE1 H 6.796 0.02 1 421 550 41 TYR HE2 H 6.796 0.02 1 422 550 41 TYR C C 172.268 0.2 1 423 550 41 TYR CA C 56.874 0.2 1 424 550 41 TYR CB C 41.162 0.2 1 425 550 41 TYR CD1 C 132.274 0.2 1 426 550 41 TYR CD2 C 132.274 0.2 1 427 550 41 TYR CE1 C 118.263 0.2 1 428 550 41 TYR CE2 C 118.263 0.2 1 429 550 41 TYR N N 114.834 0.2 1 430 551 42 ILE H H 8.486 0.02 1 431 551 42 ILE HA H 3.837 0.02 1 432 551 42 ILE HB H 1.568 0.02 1 433 551 42 ILE HG2 H 0.512 0.02 1 434 551 42 ILE HD1 H 0.367 0.02 1 435 551 42 ILE C C 174.393 0.2 1 436 551 42 ILE CA C 62.296 0.2 1 437 551 42 ILE CB C 44.098 0.2 1 438 551 42 ILE CG1 C 28.742 0.2 1 439 551 42 ILE CG2 C 16.278 0.2 1 440 551 42 ILE CD1 C 13.169 0.2 1 441 551 42 ILE N N 117.29 0.2 1 442 552 43 LEU H H 9.257 0.02 1 443 552 43 LEU HA H 4.546 0.02 1 444 552 43 LEU HB2 H 1.635 0.02 2 445 552 43 LEU HB3 H 1.914 0.02 2 446 552 43 LEU HD1 H 0.906 0.02 1 447 552 43 LEU HD2 H 0.727 0.02 1 448 552 43 LEU C C 175.098 0.2 1 449 552 43 LEU CA C 53.876 0.2 1 450 552 43 LEU CB C 41.592 0.2 1 451 552 43 LEU CG C 26.753 0.2 1 452 552 43 LEU CD1 C 25.568 0.2 1 453 552 43 LEU CD2 C 23.278 0.2 1 454 552 43 LEU N N 126.986 0.2 1 455 553 44 MET H H 8.432 0.02 1 456 553 44 MET HA H 4.633 0.02 1 457 553 44 MET HB2 H 1.896 0.02 1 458 553 44 MET HB3 H 1.896 0.02 1 459 553 44 MET HG2 H 2.349 0.02 1 460 553 44 MET HG3 H 2.349 0.02 1 461 553 44 MET HE H 1.08 0.02 1 462 553 44 MET C C 175.633 0.2 1 463 553 44 MET CA C 54.002 0.2 1 464 553 44 MET CB C 31.543 0.2 1 465 553 44 MET CE C 17.466 0.2 1 466 553 44 MET N N 126.918 0.2 1 467 554 45 LYS H H 7.504 0.02 1 468 554 45 LYS HA H 4.169 0.02 1 469 554 45 LYS HB2 H 1.956 0.02 1 470 554 45 LYS HB3 H 1.956 0.02 1 471 554 45 LYS HG2 H 1.582 0.02 1 472 554 45 LYS HG3 H 1.582 0.02 1 473 554 45 LYS HD2 H 1.779 0.02 1 474 554 45 LYS HD3 H 1.779 0.02 1 475 554 45 LYS HE2 H 3.105 0.02 1 476 554 45 LYS HE3 H 3.105 0.02 1 477 554 45 LYS C C 180.077 0.2 1 478 554 45 LYS CA C 60.628 0.2 1 479 554 45 LYS CB C 32.909 0.2 1 480 554 45 LYS CG C 25.705 0.2 1 481 554 45 LYS CD C 29.552 0.2 1 482 554 45 LYS CE C 42.342 0.2 1 483 554 45 LYS N N 121.02 0.2 1 484 555 46 SER H H 8.927 0.02 1 485 555 46 SER HA H 4.187 0.02 1 486 555 46 SER HB2 H 3.945 0.02 1 487 555 46 SER HB3 H 3.945 0.02 1 488 555 46 SER C C 175.522 0.2 1 489 555 46 SER CA C 61.52 0.2 1 490 555 46 SER CB C 62.734 0.2 1 491 555 46 SER N N 112.841 0.2 1 492 556 47 THR H H 7.209 0.02 1 493 556 47 THR HA H 4.591 0.02 1 494 556 47 THR HB H 4.583 0.02 1 495 556 47 THR HG2 H 1.165 0.02 1 496 556 47 THR C C 174.142 0.2 1 497 556 47 THR CA C 60.337 0.2 1 498 556 47 THR CB C 68.758 0.2 1 499 556 47 THR CG2 C 21.904 0.2 1 500 556 47 THR N N 107.726 0.2 1 501 557 48 ASN H H 7.857 0.02 1 502 557 48 ASN HA H 4.219 0.02 1 503 557 48 ASN HB2 H 2.997 0.02 2 504 557 48 ASN HB3 H 3.492 0.02 2 505 557 48 ASN HD21 H 7.42 0.02 2 506 557 48 ASN HD22 H 6.811 0.02 2 507 557 48 ASN C C 173.049 0.2 1 508 557 48 ASN CA C 55.424 0.2 1 509 557 48 ASN CB C 36.703 0.2 1 510 557 48 ASN N N 118.338 0.2 1 511 557 48 ASN ND2 N 112.642 0.2 1 512 558 49 GLN H H 7.797 0.02 1 513 558 49 GLN HA H 5.2 0.02 1 514 558 49 GLN HB2 H 1.953 0.02 2 515 558 49 GLN HB3 H 1.925 0.02 2 516 558 49 GLN HG2 H 2.42 0.02 1 517 558 49 GLN HG3 H 2.42 0.02 1 518 558 49 GLN HE21 H 8.183 0.02 2 519 558 49 GLN HE22 H 7.006 0.02 2 520 558 49 GLN C C 173.613 0.2 1 521 558 49 GLN CA C 53.926 0.2 1 522 558 49 GLN CB C 33.7 0.2 1 523 558 49 GLN CG C 33.569 0.2 1 524 558 49 GLN N N 112.989 0.2 1 525 558 49 GLN NE2 N 112.235 0.2 1 526 559 50 ALA H H 8.941 0.02 1 527 559 50 ALA HA H 4.811 0.02 1 528 559 50 ALA HB H 1.241 0.02 1 529 559 50 ALA C C 174.872 0.2 1 530 559 50 ALA CA C 51.891 0.2 1 531 559 50 ALA CB C 24.623 0.2 1 532 559 50 ALA N N 118.936 0.2 1 533 560 51 PHE H H 9.034 0.02 1 534 560 51 PHE HA H 5.914 0.02 1 535 560 51 PHE HB2 H 2.901 0.02 2 536 560 51 PHE HB3 H 2.488 0.02 2 537 560 51 PHE HD1 H 7.049 0.02 1 538 560 51 PHE HD2 H 7.049 0.02 1 539 560 51 PHE HE1 H 7.417 0.02 1 540 560 51 PHE HE2 H 7.417 0.02 1 541 560 51 PHE HZ H 7.681 0.02 1 542 560 51 PHE C C 175.87 0.2 1 543 560 51 PHE CA C 55.298 0.2 1 544 560 51 PHE CB C 44.517 0.2 1 545 560 51 PHE CD1 C 131.371 0.2 1 546 560 51 PHE CD2 C 131.371 0.2 1 547 560 51 PHE CE1 C 131.235 0.2 1 548 560 51 PHE CE2 C 131.235 0.2 1 549 560 51 PHE CZ C 129.953 0.2 1 550 560 51 PHE N N 114.264 0.2 1 551 561 52 LEU H H 9.224 0.02 1 552 561 52 LEU HA H 4.812 0.02 1 553 561 52 LEU HB2 H 1.264 0.02 2 554 561 52 LEU HB3 H 1.621 0.02 2 555 561 52 LEU HG H 1.539 0.02 1 556 561 52 LEU HD1 H 0.987 0.02 1 557 561 52 LEU HD2 H 0.947 0.02 1 558 561 52 LEU C C 173.636 0.2 1 559 561 52 LEU CA C 53.964 0.2 1 560 561 52 LEU CB C 46.979 0.2 1 561 561 52 LEU CG C 26.783 0.2 1 562 561 52 LEU CD1 C 26.352 0.2 1 563 561 52 LEU CD2 C 26.338 0.2 1 564 561 52 LEU N N 120.159 0.2 1 565 562 53 GLU H H 8.826 0.02 1 566 562 53 GLU HA H 5.012 0.02 1 567 562 53 GLU HB2 H 1.349 0.02 2 568 562 53 GLU HB3 H 2.106 0.02 2 569 562 53 GLU HG2 H 1.806 0.02 2 570 562 53 GLU HG3 H 2.19 0.02 2 571 562 53 GLU C C 174.434 0.2 1 572 562 53 GLU CA C 54.436 0.2 1 573 562 53 GLU CB C 33.899 0.2 1 574 562 53 GLU CG C 38.324 0.2 1 575 562 53 GLU N N 126.267 0.2 1 576 563 54 MET H H 8.703 0.02 1 577 563 54 MET HA H 5.516 0.02 1 578 563 54 MET HB2 H 1.903 0.02 1 579 563 54 MET HB3 H 1.903 0.02 1 580 563 54 MET HG2 H 2.536 0.02 2 581 563 54 MET HG3 H 2.227 0.02 2 582 563 54 MET HE H 2.003 0.02 1 583 563 54 MET C C 177.969 0.2 1 584 563 54 MET CA C 51.728 0.2 1 585 563 54 MET CB C 32.52 0.2 1 586 563 54 MET CG C 32.025 0.2 1 587 563 54 MET CE C 18.19 0.2 1 588 563 54 MET N N 123.733 0.2 1 589 564 55 ALA H H 8.474 0.02 1 590 564 55 ALA HA H 3.803 0.02 1 591 564 55 ALA HB H 1.14 0.02 1 592 564 55 ALA C C 176.66 0.2 1 593 564 55 ALA CA C 55.232 0.2 1 594 564 55 ALA CB C 18.884 0.2 1 595 564 55 ALA N N 121.232 0.2 1 596 565 56 TYR H H 7.485 0.02 1 597 565 56 TYR HA H 5.067 0.02 1 598 565 56 TYR HB2 H 3.666 0.02 2 599 565 56 TYR HB3 H 2.797 0.02 2 600 565 56 TYR HD1 H 7.321 0.02 1 601 565 56 TYR HD2 H 7.321 0.02 1 602 565 56 TYR HE1 H 6.893 0.02 1 603 565 56 TYR HE2 H 6.893 0.02 1 604 565 56 TYR C C 177.026 0.2 1 605 565 56 TYR CA C 55.599 0.2 1 606 565 56 TYR CB C 41.333 0.2 1 607 565 56 TYR CD1 C 133.895 0.2 1 608 565 56 TYR CD2 C 133.895 0.2 1 609 565 56 TYR CE1 C 118.049 0.2 1 610 565 56 TYR CE2 C 118.049 0.2 1 611 565 56 TYR N N 109.482 0.2 1 612 566 57 THR H H 9.462 0.02 1 613 566 57 THR HA H 4.157 0.02 1 614 566 57 THR HB H 4.059 0.02 1 615 566 57 THR HG2 H 1.294 0.02 1 616 566 57 THR C C 176.444 0.2 1 617 566 57 THR CA C 65.241 0.2 1 618 566 57 THR CB C 68.696 0.2 1 619 566 57 THR CG2 C 20.436 0.2 1 620 566 57 THR N N 120.316 0.2 1 621 567 58 GLU H H 9.765 0.02 1 622 567 58 GLU HA H 4.002 0.02 1 623 567 58 GLU HB2 H 2.039 0.02 2 624 567 58 GLU HB3 H 2.096 0.02 2 625 567 58 GLU HG2 H 2.329 0.02 2 626 567 58 GLU HG3 H 2.58 0.02 2 627 567 58 GLU C C 178.859 0.2 1 628 567 58 GLU CA C 61.261 0.2 1 629 567 58 GLU CB C 28.296 0.2 1 630 567 58 GLU CG C 37.312 0.2 1 631 567 58 GLU N N 121.638 0.2 1 632 568 59 ALA H H 6.99 0.02 1 633 568 59 ALA HA H 4.454 0.02 1 634 568 59 ALA HB H 1.656 0.02 1 635 568 59 ALA C C 178.787 0.2 1 636 568 59 ALA CA C 54.585 0.2 1 637 568 59 ALA CB C 20.221 0.2 1 638 568 59 ALA N N 121.602 0.2 1 639 569 60 ALA H H 7.107 0.02 1 640 569 60 ALA HA H 3.849 0.02 1 641 569 60 ALA HB H 1.381 0.02 1 642 569 60 ALA C C 177.875 0.2 1 643 569 60 ALA CA C 55.403 0.2 1 644 569 60 ALA CB C 17.747 0.2 1 645 569 60 ALA N N 119.918 0.2 1 646 570 61 GLN H H 8.396 0.02 1 647 570 61 GLN HA H 3.971 0.02 1 648 570 61 GLN HB2 H 2.148 0.02 1 649 570 61 GLN HB3 H 2.148 0.02 1 650 570 61 GLN HG2 H 2.339 0.02 2 651 570 61 GLN HG3 H 2.547 0.02 2 652 570 61 GLN HE21 H 7.538 0.02 2 653 570 61 GLN HE22 H 7.026 0.02 2 654 570 61 GLN C C 178.996 0.2 1 655 570 61 GLN CA C 59.151 0.2 1 656 570 61 GLN CB C 28.928 0.2 1 657 570 61 GLN CG C 34.634 0.2 1 658 570 61 GLN N N 114.668 0.2 1 659 570 61 GLN NE2 N 113.192 0.2 1 660 571 62 ALA H H 8.119 0.02 1 661 571 62 ALA HA H 4.082 0.02 1 662 571 62 ALA HB H 1.677 0.02 1 663 571 62 ALA C C 179.849 0.2 1 664 571 62 ALA CA C 55.045 0.2 1 665 571 62 ALA CB C 18.323 0.2 1 666 571 62 ALA N N 122.332 0.2 1 667 572 63 MET H H 7.802 0.02 1 668 572 63 MET HA H 2.059 0.02 1 669 572 63 MET HB2 H 2.207 0.02 1 670 572 63 MET HB3 H 2.207 0.02 1 671 572 63 MET HG2 H 2.611 0.02 1 672 572 63 MET HG3 H 2.611 0.02 1 673 572 63 MET HE H 1.884 0.02 1 674 572 63 MET C C 176.476 0.2 1 675 572 63 MET CA C 58.561 0.2 1 676 572 63 MET CB C 32.392 0.2 1 677 572 63 MET CG C 32.347 0.2 1 678 572 63 MET CE C 16.88 0.2 1 679 572 63 MET N N 120.533 0.2 1 680 573 64 VAL H H 7.706 0.02 1 681 573 64 VAL HA H 3.423 0.02 1 682 573 64 VAL HB H 2.075 0.02 1 683 573 64 VAL HG1 H 1.071 0.02 1 684 573 64 VAL HG2 H 0.994 0.02 1 685 573 64 VAL C C 178.687 0.2 1 686 573 64 VAL CA C 67.005 0.2 1 687 573 64 VAL CB C 31.852 0.2 1 688 573 64 VAL CG1 C 21.569 0.2 1 689 573 64 VAL CG2 C 24.733 0.2 1 690 573 64 VAL N N 117.37 0.2 1 691 574 65 GLN H H 8.141 0.02 1 692 574 65 GLN HA H 3.969 0.02 1 693 574 65 GLN HB2 H 2.127 0.02 1 694 574 65 GLN HB3 H 2.127 0.02 1 695 574 65 GLN HG2 H 2.44 0.02 1 696 574 65 GLN HG3 H 2.44 0.02 1 697 574 65 GLN HE21 H 7.636 0.02 2 698 574 65 GLN HE22 H 6.828 0.02 2 699 574 65 GLN C C 178.212 0.2 1 700 574 65 GLN CA C 59.006 0.2 1 701 574 65 GLN CB C 28.372 0.2 1 702 574 65 GLN CG C 33.584 0.2 1 703 574 65 GLN N N 118.753 0.2 1 704 574 65 GLN NE2 N 112.294 0.2 1 705 575 66 TYR H H 8.112 0.02 1 706 575 66 TYR HA H 4.02 0.02 1 707 575 66 TYR HB2 H 2.637 0.02 2 708 575 66 TYR HB3 H 2.979 0.02 2 709 575 66 TYR HD1 H 6.457 0.02 1 710 575 66 TYR HD2 H 6.457 0.02 1 711 575 66 TYR HE1 H 6.763 0.02 1 712 575 66 TYR HE2 H 6.763 0.02 1 713 575 66 TYR C C 178.141 0.2 1 714 575 66 TYR CA C 62.308 0.2 1 715 575 66 TYR CB C 38.815 0.2 1 716 575 66 TYR CD1 C 133.786 0.2 1 717 575 66 TYR CD2 C 133.786 0.2 1 718 575 66 TYR CE1 C 118.142 0.2 1 719 575 66 TYR CE2 C 118.142 0.2 1 720 575 66 TYR N N 120.606 0.2 1 721 576 67 TYR H H 7.772 0.02 1 722 576 67 TYR HA H 4.814 0.02 1 723 576 67 TYR HB2 H 2.806 0.02 2 724 576 67 TYR HB3 H 3.433 0.02 2 725 576 67 TYR HD1 H 7.522 0.02 1 726 576 67 TYR HD2 H 7.522 0.02 1 727 576 67 TYR HE1 H 7.041 0.02 1 728 576 67 TYR HE2 H 7.041 0.02 1 729 576 67 TYR C C 176.801 0.2 1 730 576 67 TYR CA C 59.465 0.2 1 731 576 67 TYR CB C 37.848 0.2 1 732 576 67 TYR CD1 C 134.685 0.2 1 733 576 67 TYR CD2 C 134.685 0.2 1 734 576 67 TYR CE1 C 116.744 0.2 1 735 576 67 TYR CE2 C 116.744 0.2 1 736 576 67 TYR N N 115.701 0.2 1 737 577 68 GLN H H 7.623 0.02 1 738 577 68 GLN HA H 4.145 0.02 1 739 577 68 GLN HB2 H 2.344 0.02 2 740 577 68 GLN HB3 H 2.163 0.02 2 741 577 68 GLN HG2 H 2.607 0.02 2 742 577 68 GLN HG3 H 2.489 0.02 2 743 577 68 GLN HE21 H 7.521 0.02 2 744 577 68 GLN HE22 H 6.831 0.02 2 745 577 68 GLN C C 177.705 0.2 1 746 577 68 GLN CA C 58.417 0.2 1 747 577 68 GLN CB C 28.613 0.2 1 748 577 68 GLN CG C 34.541 0.2 1 749 577 68 GLN N N 118.498 0.2 1 750 577 68 GLN NE2 N 111.474 0.2 1 751 578 69 GLU H H 7.145 0.02 1 752 578 69 GLU HA H 4.219 0.02 1 753 578 69 GLU HB2 H 2.012 0.02 1 754 578 69 GLU HB3 H 2.012 0.02 1 755 578 69 GLU HG2 H 2.389 0.02 2 756 578 69 GLU HG3 H 2.219 0.02 2 757 578 69 GLU C C 176.903 0.2 1 758 578 69 GLU CA C 57.477 0.2 1 759 578 69 GLU CB C 30.466 0.2 1 760 578 69 GLU CG C 36.164 0.2 1 761 578 69 GLU N N 117.849 0.2 1 762 579 70 LYS H H 8.147 0.02 1 763 579 70 LYS HA H 4.603 0.02 1 764 579 70 LYS HB2 H 1.469 0.02 2 765 579 70 LYS HB3 H 1.186 0.02 2 766 579 70 LYS HG2 H 1.122 0.02 1 767 579 70 LYS HG3 H 1.122 0.02 1 768 579 70 LYS HD2 H 1.44 0.02 2 769 579 70 LYS HD3 H 1.558 0.02 2 770 579 70 LYS HE2 H 2.907 0.02 1 771 579 70 LYS HE3 H 2.907 0.02 1 772 579 70 LYS C C 171.599 0.2 1 773 579 70 LYS CA C 53.061 0.2 1 774 579 70 LYS CB C 32.081 0.2 1 775 579 70 LYS CG C 24.51 0.2 1 776 579 70 LYS CD C 29.487 0.2 1 777 579 70 LYS CE C 42.265 0.2 1 778 579 70 LYS N N 121.222 0.2 1 779 580 71 PRO HA H 4.987 0.02 1 780 580 71 PRO HB2 H 1.695 0.02 2 781 580 71 PRO HB3 H 2.409 0.02 2 782 580 71 PRO HG2 H 2.005 0.02 1 783 580 71 PRO HG3 H 2.005 0.02 1 784 580 71 PRO HD2 H 3.611 0.02 2 785 580 71 PRO HD3 H 3.389 0.02 2 786 580 71 PRO C C 177.026 0.2 1 787 580 71 PRO CA C 63.571 0.2 1 788 580 71 PRO CB C 32.155 0.2 1 789 580 71 PRO CG C 27.167 0.2 1 790 580 71 PRO CD C 50.065 0.2 1 791 581 72 ALA H H 8.919 0.02 1 792 581 72 ALA HA H 4.427 0.02 1 793 581 72 ALA HB H 0.979 0.02 1 794 581 72 ALA C C 175.768 0.2 1 795 581 72 ALA CA C 51.815 0.2 1 796 581 72 ALA CB C 19.374 0.2 1 797 581 72 ALA N N 126.835 0.2 1 798 582 73 ILE H H 8.008 0.02 1 799 582 73 ILE HA H 4.916 0.02 1 800 582 73 ILE HB H 1.672 0.02 1 801 582 73 ILE HG12 H 0.926 0.02 2 802 582 73 ILE HG13 H 1.478 0.02 2 803 582 73 ILE HG2 H 0.612 0.02 1 804 582 73 ILE HD1 H 0.763 0.02 1 805 582 73 ILE C C 176.761 0.2 1 806 582 73 ILE CA C 59.059 0.2 1 807 582 73 ILE CB C 39.594 0.2 1 808 582 73 ILE CG1 C 27.368 0.2 1 809 582 73 ILE CG2 C 17.112 0.2 1 810 582 73 ILE CD1 C 12.555 0.2 1 811 582 73 ILE N N 123.02 0.2 1 812 583 74 ILE H H 8.69 0.02 1 813 583 74 ILE HA H 4.274 0.02 1 814 583 74 ILE HB H 1.427 0.02 1 815 583 74 ILE HG12 H 1.072 0.02 2 816 583 74 ILE HG13 H 1.394 0.02 2 817 583 74 ILE HG2 H 0.821 0.02 1 818 583 74 ILE HD1 H 0.787 0.02 1 819 583 74 ILE C C 175.313 0.2 1 820 583 74 ILE CA C 60.451 0.2 1 821 583 74 ILE CB C 40.545 0.2 1 822 583 74 ILE CG1 C 26.973 0.2 1 823 583 74 ILE CG2 C 17.019 0.2 1 824 583 74 ILE CD1 C 13.434 0.2 1 825 583 74 ILE N N 127.083 0.2 1 826 584 75 ASN H H 9.329 0.02 1 827 584 75 ASN HA H 4.322 0.02 1 828 584 75 ASN HB2 H 3.081 0.02 2 829 584 75 ASN HB3 H 2.645 0.02 2 830 584 75 ASN HD21 H 7.36 0.02 2 831 584 75 ASN HD22 H 6.824 0.02 2 832 584 75 ASN C C 175.351 0.2 1 833 584 75 ASN CA C 53.839 0.2 1 834 584 75 ASN CB C 37.28 0.2 1 835 584 75 ASN N N 126.524 0.2 1 836 584 75 ASN ND2 N 111.653 0.2 1 837 585 76 GLY H H 8.179 0.02 1 838 585 76 GLY HA2 H 3.454 0.02 2 839 585 76 GLY HA3 H 4.155 0.02 2 840 585 76 GLY C C 173.576 0.2 1 841 585 76 GLY CA C 45.366 0.2 1 842 585 76 GLY N N 102.181 0.2 1 843 586 77 GLU H H 7.984 0.02 1 844 586 77 GLU HA H 4.562 0.02 1 845 586 77 GLU HB2 H 1.888 0.02 1 846 586 77 GLU HB3 H 1.888 0.02 1 847 586 77 GLU HG2 H 2.257 0.02 2 848 586 77 GLU HG3 H 2.188 0.02 2 849 586 77 GLU C C 174.065 0.2 1 850 586 77 GLU CA C 54.722 0.2 1 851 586 77 GLU CB C 30.722 0.2 1 852 586 77 GLU CG C 35.476 0.2 1 853 586 77 GLU N N 122.22 0.2 1 854 587 78 LYS H H 8.458 0.02 1 855 587 78 LYS HA H 4.735 0.02 1 856 587 78 LYS HB2 H 1.696 0.02 1 857 587 78 LYS HB3 H 1.696 0.02 1 858 587 78 LYS HG2 H 1.42 0.02 1 859 587 78 LYS HG3 H 1.42 0.02 1 860 587 78 LYS HD2 H 1.678 0.02 1 861 587 78 LYS HD3 H 1.678 0.02 1 862 587 78 LYS HE2 H 2.977 0.02 1 863 587 78 LYS HE3 H 2.977 0.02 1 864 587 78 LYS C C 176.857 0.2 1 865 587 78 LYS CA C 56.01 0.2 1 866 587 78 LYS CB C 33.218 0.2 1 867 587 78 LYS CG C 24.952 0.2 1 868 587 78 LYS CD C 29.31 0.2 1 869 587 78 LYS CE C 42.088 0.2 1 870 587 78 LYS N N 123.32 0.2 1 871 588 79 LEU H H 8.722 0.02 1 872 588 79 LEU HA H 4.442 0.02 1 873 588 79 LEU HB2 H 1.249 0.02 2 874 588 79 LEU HB3 H 1.628 0.02 2 875 588 79 LEU HD1 H 0.656 0.02 1 876 588 79 LEU HD2 H 0.624 0.02 1 877 588 79 LEU C C 176.766 0.2 1 878 588 79 LEU CA C 54.651 0.2 1 879 588 79 LEU CB C 42.551 0.2 1 880 588 79 LEU CD1 C 26.086 0.2 1 881 588 79 LEU CD2 C 24.128 0.2 1 882 588 79 LEU N N 126.659 0.2 1 883 589 80 LEU H H 7.812 0.02 1 884 589 80 LEU HA H 4.683 0.02 1 885 589 80 LEU HB2 H 1.343 0.02 2 886 589 80 LEU HB3 H 1.855 0.02 2 887 589 80 LEU HD1 H 0.881 0.02 1 888 589 80 LEU HD2 H 0.7 0.02 1 889 589 80 LEU C C 175.101 0.2 1 890 589 80 LEU CA C 54.807 0.2 1 891 589 80 LEU CB C 42.89 0.2 1 892 589 80 LEU CG C 27.14 0.2 1 893 589 80 LEU CD1 C 23.257 0.2 1 894 589 80 LEU CD2 C 25.197 0.2 1 895 589 80 LEU N N 122.994 0.2 1 896 590 81 ILE H H 8.58 0.02 1 897 590 81 ILE HA H 4.99 0.02 1 898 590 81 ILE HB H 1.78 0.02 1 899 590 81 ILE HG12 H 0.788 0.02 2 900 590 81 ILE HG13 H 1.413 0.02 2 901 590 81 ILE HG2 H 0.786 0.02 1 902 590 81 ILE HD1 H 0.328 0.02 1 903 590 81 ILE C C 174.957 0.2 1 904 590 81 ILE CA C 61.272 0.2 1 905 590 81 ILE CB C 39.533 0.2 1 906 590 81 ILE CG1 C 28.333 0.2 1 907 590 81 ILE CG2 C 17.957 0.2 1 908 590 81 ILE CD1 C 13.821 0.2 1 909 590 81 ILE N N 129.249 0.2 1 910 591 82 ARG H H 9.375 0.02 1 911 591 82 ARG HA H 4.904 0.02 1 912 591 82 ARG HB2 H 2.064 0.02 2 913 591 82 ARG HB3 H 1.919 0.02 2 914 591 82 ARG HG2 H 1.546 0.02 1 915 591 82 ARG HG3 H 1.546 0.02 1 916 591 82 ARG HD2 H 3.099 0.02 2 917 591 82 ARG HD3 H 3.333 0.02 2 918 591 82 ARG C C 175.13 0.2 1 919 591 82 ARG CA C 54.607 0.2 1 920 591 82 ARG CB C 35.491 0.2 1 921 591 82 ARG CG C 27.225 0.2 1 922 591 82 ARG CD C 43.91 0.2 1 923 591 82 ARG N N 127.778 0.2 1 924 592 83 MET H H 9.009 0.02 1 925 592 83 MET HA H 4.839 0.02 1 926 592 83 MET HB2 H 2.109 0.02 2 927 592 83 MET HB3 H 2.012 0.02 2 928 592 83 MET HG2 H 2.56 0.02 2 929 592 83 MET HG3 H 2.862 0.02 2 930 592 83 MET HE H 1.908 0.02 1 931 592 83 MET C C 178.673 0.2 1 932 592 83 MET CA C 54.578 0.2 1 933 592 83 MET CB C 30.243 0.2 1 934 592 83 MET CG C 32.148 0.2 1 935 592 83 MET CE C 15.157 0.2 1 936 592 83 MET N N 119.948 0.2 1 937 593 84 SER H H 8.594 0.02 1 938 593 84 SER HA H 5.791 0.02 1 939 593 84 SER HB2 H 3.898 0.02 1 940 593 84 SER HB3 H 3.898 0.02 1 941 593 84 SER C C 177.26 0.2 1 942 593 84 SER CA C 57.52 0.2 1 943 593 84 SER CB C 64.157 0.2 1 944 593 84 SER N N 116.281 0.2 1 945 594 85 THR H H 9.54 0.02 1 946 594 85 THR HA H 4.266 0.02 1 947 594 85 THR HB H 4.239 0.02 1 948 594 85 THR HG2 H 1.194 0.02 1 949 594 85 THR C C 174.754 0.2 1 950 594 85 THR CA C 62.016 0.2 1 951 594 85 THR CB C 68.59 0.2 1 952 594 85 THR CG2 C 22.61 0.2 1 953 594 85 THR N N 120.488 0.2 1 954 595 86 ARG H H 7.595 0.02 1 955 595 86 ARG HA H 4.121 0.02 1 956 595 86 ARG HB2 H 1.302 0.02 2 957 595 86 ARG HB3 H 1.087 0.02 2 958 595 86 ARG HG2 H 0.854 0.02 2 959 595 86 ARG HG3 H 0.405 0.02 2 960 595 86 ARG HD2 H 2.958 0.02 2 961 595 86 ARG HD3 H 2.853 0.02 2 962 595 86 ARG C C 174.858 0.2 1 963 595 86 ARG CA C 56.924 0.2 1 964 595 86 ARG CB C 33.442 0.2 1 965 595 86 ARG CG C 26.721 0.2 1 966 595 86 ARG CD C 43.287 0.2 1 967 595 86 ARG N N 121.699 0.2 1 968 596 87 TYR H H 8.156 0.02 1 969 596 87 TYR HA H 4.806 0.02 1 970 596 87 TYR HB2 H 2.202 0.02 2 971 596 87 TYR HB3 H 2.98 0.02 2 972 596 87 TYR HD1 H 6.636 0.02 1 973 596 87 TYR HD2 H 6.636 0.02 1 974 596 87 TYR HE1 H 7.43 0.02 1 975 596 87 TYR HE2 H 7.43 0.02 1 976 596 87 TYR C C 174.992 0.2 1 977 596 87 TYR CA C 57.028 0.2 1 978 596 87 TYR CB C 39.942 0.2 1 979 596 87 TYR N N 117.096 0.2 1 980 597 88 LYS H H 9.238 0.02 1 981 597 88 LYS HA H 4.385 0.02 1 982 597 88 LYS HB2 H 1.922 0.02 1 983 597 88 LYS HB3 H 1.922 0.02 1 984 597 88 LYS HG2 H 1.552 0.02 2 985 597 88 LYS HG3 H 1.349 0.02 2 986 597 88 LYS HE2 H 2.929 0.02 1 987 597 88 LYS HE3 H 2.929 0.02 1 988 597 88 LYS C C 175.781 0.2 1 989 597 88 LYS CA C 57.214 0.2 1 990 597 88 LYS CB C 33.864 0.2 1 991 597 88 LYS CG C 25.364 0.2 1 992 597 88 LYS CE C 42.295 0.2 1 993 597 88 LYS N N 121.619 0.2 1 994 598 89 GLU H H 7.854 0.02 1 995 598 89 GLU HA H 4.301 0.02 1 996 598 89 GLU HG2 H 2.024 0.02 2 997 598 89 GLU HG3 H 2.079 0.02 2 998 598 89 GLU C C 173.909 0.2 1 999 598 89 GLU CA C 54.887 0.2 1 1000 598 89 GLU CB C 32.392 0.2 1 1001 598 89 GLU CG C 35.319 0.2 1 1002 598 89 GLU N N 116.002 0.2 1 1003 599 90 LEU H H 9.116 0.02 1 1004 599 90 LEU HA H 4.641 0.02 1 1005 599 90 LEU HB2 H 0.597 0.02 2 1006 599 90 LEU HB3 H 1.29 0.02 2 1007 599 90 LEU HD1 H 0.332 0.02 1 1008 599 90 LEU HD2 H -0.059 0.02 1 1009 599 90 LEU C C 176.552 0.2 1 1010 599 90 LEU CA C 53.122 0.2 1 1011 599 90 LEU CB C 44.071 0.2 1 1012 599 90 LEU CD1 C 25.451 0.2 1 1013 599 90 LEU CD2 C 22.467 0.2 1 1014 599 90 LEU N N 118.962 0.2 1 1015 600 91 GLN H H 8.816 0.02 1 1016 600 91 GLN HA H 4.462 0.02 1 1017 600 91 GLN HB2 H 1.949 0.02 2 1018 600 91 GLN HB3 H 1.89 0.02 2 1019 600 91 GLN HG2 H 2.166 0.02 2 1020 600 91 GLN HG3 H 2.248 0.02 2 1021 600 91 GLN HE21 H 7.492 0.02 2 1022 600 91 GLN HE22 H 6.758 0.02 2 1023 600 91 GLN C C 176.126 0.2 1 1024 600 91 GLN CA C 54.442 0.2 1 1025 600 91 GLN CB C 29.672 0.2 1 1026 600 91 GLN CG C 33.434 0.2 1 1027 600 91 GLN N N 121.55 0.2 1 1028 600 91 GLN NE2 N 112.031 0.2 1 1029 601 92 LEU H H 9.035 0.02 1 1030 601 92 LEU HA H 4.019 0.02 1 1031 601 92 LEU HB2 H 1.48 0.02 2 1032 601 92 LEU HB3 H 1.862 0.02 2 1033 601 92 LEU HG H 1.587 0.02 1 1034 601 92 LEU HD1 H 0.787 0.02 1 1035 601 92 LEU HD2 H 0.725 0.02 1 1036 601 92 LEU C C 177.734 0.2 1 1037 601 92 LEU CA C 57.142 0.2 1 1038 601 92 LEU CB C 41.154 0.2 1 1039 601 92 LEU CG C 28.495 0.2 1 1040 601 92 LEU CD1 C 24.691 0.2 1 1041 601 92 LEU CD2 C 23.567 0.2 1 1042 601 92 LEU N N 129.931 0.2 1 1043 602 93 LYS H H 8.558 0.02 1 1044 602 93 LYS HA H 4.295 0.02 1 1045 602 93 LYS HB2 H 1.77 0.02 2 1046 602 93 LYS HB3 H 1.839 0.02 2 1047 602 93 LYS HG2 H 1.658 0.02 2 1048 602 93 LYS HG3 H 1.479 0.02 2 1049 602 93 LYS HE2 H 2.973 0.02 1 1050 602 93 LYS HE3 H 2.973 0.02 1 1051 602 93 LYS C C 176.24 0.2 1 1052 602 93 LYS CA C 57.312 0.2 1 1053 602 93 LYS CB C 33.729 0.2 1 1054 602 93 LYS CG C 25.051 0.2 1 1055 602 93 LYS N N 122.439 0.2 1 1056 603 94 LYS H H 7.646 0.02 1 1057 603 94 LYS HA H 4.744 0.02 1 1058 603 94 LYS HB2 H 1.779 0.02 2 1059 603 94 LYS HB3 H 1.852 0.02 2 1060 603 94 LYS HG2 H 1.567 0.02 1 1061 603 94 LYS HG3 H 1.567 0.02 1 1062 603 94 LYS HD2 H 1.7 0.02 1 1063 603 94 LYS HD3 H 1.7 0.02 1 1064 603 94 LYS HE2 H 2.955 0.02 1 1065 603 94 LYS HE3 H 2.955 0.02 1 1066 603 94 LYS CA C 53.072 0.2 1 1067 603 94 LYS CB C 33.102 0.2 1 1068 603 94 LYS CG C 24.894 0.2 1 1069 603 94 LYS CD C 29.621 0.2 1 1070 603 94 LYS CE C 41.894 0.2 1 1071 603 94 LYS N N 119.181 0.2 1 1072 604 95 PRO HA H 4.389 0.02 1 1073 604 95 PRO HB2 H 2.317 0.02 2 1074 604 95 PRO HB3 H 1.955 0.02 2 1075 604 95 PRO HG2 H 2.006 0.02 2 1076 604 95 PRO HG3 H 2.067 0.02 2 1077 604 95 PRO HD2 H 3.753 0.02 2 1078 604 95 PRO HD3 H 3.633 0.02 2 1079 604 95 PRO C C 177.371 0.2 1 1080 604 95 PRO CA C 63.529 0.2 1 1081 604 95 PRO CB C 32.284 0.2 1 1082 604 95 PRO CG C 27.435 0.2 1 1083 604 95 PRO CD C 50.485 0.2 1 1084 605 96 GLY H H 8.213 0.02 1 1085 605 96 GLY HA2 H 3.727 0.02 2 1086 605 96 GLY HA3 H 4.396 0.02 2 1087 605 96 GLY C C 173.716 0.2 1 1088 605 96 GLY CA C 44.452 0.2 1 1089 605 96 GLY N N 110.009 0.2 1 1090 606 97 LYS H H 8.3 0.02 1 1091 606 97 LYS HA H 4.383 0.02 1 1092 606 97 LYS HB2 H 1.872 0.02 1 1093 606 97 LYS HB3 H 1.872 0.02 1 1094 606 97 LYS HG2 H 1.527 0.02 1 1095 606 97 LYS HG3 H 1.527 0.02 1 1096 606 97 LYS HE2 H 2.915 0.02 1 1097 606 97 LYS HE3 H 2.915 0.02 1 1098 606 97 LYS C C 176.664 0.2 1 1099 606 97 LYS CA C 56.658 0.2 1 1100 606 97 LYS CB C 33.553 0.2 1 1101 606 97 LYS CG C 25.793 0.2 1 1102 606 97 LYS N N 121.926 0.2 1 1103 607 98 ASN H H 8.686 0.02 1 1104 607 98 ASN HA H 4.73 0.02 1 1105 607 98 ASN HB2 H 2.909 0.02 1 1106 607 98 ASN HB3 H 2.909 0.02 1 1107 607 98 ASN HD21 H 7.758 0.02 2 1108 607 98 ASN HD22 H 7.042 0.02 2 1109 607 98 ASN C C 176.175 0.2 1 1110 607 98 ASN CA C 53.808 0.2 1 1111 607 98 ASN CB C 39.001 0.2 1 1112 607 98 ASN N N 121.927 0.2 1 1113 607 98 ASN ND2 N 113.025 0.2 1 1114 608 99 VAL H H 8.731 0.02 1 1115 608 99 VAL HA H 3.675 0.02 1 1116 608 99 VAL HB H 2.088 0.02 1 1117 608 99 VAL HG1 H 0.948 0.02 1 1118 608 99 VAL HG2 H 1.065 0.02 1 1119 608 99 VAL CA C 62.261 0.2 1 1120 608 99 VAL CB C 31.895 0.2 1 1121 608 99 VAL CG1 C 21.253 0.2 1 1122 608 99 VAL CG2 C 22.554 0.2 1 1123 608 99 VAL N N 125.659 0.2 1 1124 609 100 ALA H H 8.313 0.02 1 1125 609 100 ALA HA H 4.087 0.02 1 1126 609 100 ALA HB H 1.448 0.02 1 1127 609 100 ALA C C 179.885 0.2 1 1128 609 100 ALA CA C 54.849 0.2 1 1129 609 100 ALA CB C 18.202 0.2 1 1130 609 100 ALA N N 122.174 0.2 1 1131 610 101 ALA H H 7.666 0.02 1 1132 610 101 ALA HA H 4.196 0.02 1 1133 610 101 ALA HB H 1.515 0.02 1 1134 610 101 ALA C C 179.657 0.2 1 1135 610 101 ALA CA C 54.288 0.2 1 1136 610 101 ALA CB C 18.366 0.2 1 1137 610 101 ALA N N 120.794 0.2 1 1138 611 102 ILE H H 7.69 0.02 1 1139 611 102 ILE HA H 3.823 0.02 1 1140 611 102 ILE HB H 1.879 0.02 1 1141 611 102 ILE HG12 H 1.058 0.02 2 1142 611 102 ILE HG13 H 1.583 0.02 2 1143 611 102 ILE HG2 H 0.768 0.02 1 1144 611 102 ILE HD1 H 0.653 0.02 1 1145 611 102 ILE C C 177.712 0.2 1 1146 611 102 ILE CA C 63.955 0.2 1 1147 611 102 ILE CB C 38.075 0.2 1 1148 611 102 ILE CG1 C 27.748 0.2 1 1149 611 102 ILE CG2 C 17.353 0.2 1 1150 611 102 ILE CD1 C 14.271 0.2 1 1151 611 102 ILE N N 120.526 0.2 1 1152 612 103 ILE H H 8.288 0.02 1 1153 612 103 ILE HA H 4.117 0.02 1 1154 612 103 ILE HB H 1.828 0.02 1 1155 612 103 ILE HG2 H 0.813 0.02 1 1156 612 103 ILE HD1 H 0.837 0.02 1 1157 612 103 ILE C C 177.395 0.2 1 1158 612 103 ILE CA C 59.408 0.2 1 1159 612 103 ILE CB C 38.258 0.2 1 1160 612 103 ILE CG2 C 17.308 0.2 1 1161 612 103 ILE CD1 C 14.095 0.2 1 1162 612 103 ILE N N 120.104 0.2 1 1163 613 104 GLN H H 7.81 0.02 1 1164 613 104 GLN HA H 4.139 0.02 1 1165 613 104 GLN HB2 H 2.15 0.02 1 1166 613 104 GLN HB3 H 2.15 0.02 1 1167 613 104 GLN HG2 H 2.441 0.02 1 1168 613 104 GLN HG3 H 2.441 0.02 1 1169 613 104 GLN HE21 H 7.506 0.02 2 1170 613 104 GLN HE22 H 6.861 0.02 2 1171 613 104 GLN C C 177.374 0.2 1 1172 613 104 GLN CA C 58.144 0.2 1 1173 613 104 GLN CB C 28.445 0.2 1 1174 613 104 GLN CG C 34.088 0.2 1 1175 613 104 GLN N N 119.396 0.2 1 1176 613 104 GLN NE2 N 112.076 0.2 1 1177 614 105 ASP H H 7.918 0.02 1 1178 614 105 ASP HA H 4.499 0.02 1 1179 614 105 ASP HB2 H 2.801 0.02 1 1180 614 105 ASP HB3 H 2.801 0.02 1 1181 614 105 ASP C C 178.328 0.2 1 1182 614 105 ASP CA C 56.549 0.2 1 1183 614 105 ASP CB C 41.26 0.2 1 1184 614 105 ASP N N 121.315 0.2 1 1185 615 106 ILE H H 8.285 0.02 1 1186 615 106 ILE HA H 4.195 0.02 1 1187 615 106 ILE HB H 1.815 0.02 1 1188 615 106 ILE HG12 H 1.584 0.02 2 1189 615 106 ILE HG13 H 0.966 0.02 2 1190 615 106 ILE HG2 H 0.75 0.02 1 1191 615 106 ILE HD1 H 0.756 0.02 1 1192 615 106 ILE C C 178.15 0.2 1 1193 615 106 ILE CA C 64.319 0.2 1 1194 615 106 ILE CB C 38.594 0.2 1 1195 615 106 ILE CG1 C 28.293 0.2 1 1196 615 106 ILE CG2 C 17.124 0.2 1 1197 615 106 ILE CD1 C 14.622 0.2 1 1198 615 106 ILE N N 121.464 0.2 1 1199 616 107 HIS H H 8.281 0.02 1 1200 616 107 HIS HA H 4.534 0.02 1 1201 616 107 HIS HB2 H 3.184 0.02 2 1202 616 107 HIS HB3 H 3.274 0.02 2 1203 616 107 HIS HD2 H 7.055 0.02 1 1204 616 107 HIS HE1 H 8.004 0.02 1 1205 616 107 HIS C C 176.176 0.2 1 1206 616 107 HIS CA C 57.131 0.2 1 1207 616 107 HIS CB C 29.28 0.2 1 1208 616 107 HIS CD2 C 119.437 0.2 1 1209 616 107 HIS CE1 C 137.531 0.2 1 1210 616 107 HIS N N 118.683 0.2 1 1211 617 108 SER H H 8.205 0.02 1 1212 617 108 SER HA H 4.377 0.02 1 1213 617 108 SER HB2 H 4 0.02 1 1214 617 108 SER HB3 H 4 0.02 1 1215 617 108 SER C C 175.025 0.2 1 1216 617 108 SER CA C 59.894 0.2 1 1217 617 108 SER CB C 63.686 0.2 1 1218 617 108 SER N N 115.676 0.2 1 1219 618 109 GLN H H 8.06 0.02 1 1220 618 109 GLN HA H 4.316 0.02 1 1221 618 109 GLN HB2 H 2.143 0.02 1 1222 618 109 GLN HB3 H 2.143 0.02 1 1223 618 109 GLN HG2 H 2.421 0.02 1 1224 618 109 GLN HG3 H 2.421 0.02 1 1225 618 109 GLN HE21 H 7.48 0.02 2 1226 618 109 GLN HE22 H 6.78 0.02 2 1227 618 109 GLN C C 176.244 0.2 1 1228 618 109 GLN CA C 56.376 0.2 1 1229 618 109 GLN CB C 28.91 0.2 1 1230 618 109 GLN CG C 33.756 0.2 1 1231 618 109 GLN N N 120.857 0.2 1 1232 618 109 GLN NE2 N 112.279 0.2 1 1233 619 110 ARG H H 8.009 0.02 1 1234 619 110 ARG HA H 4.343 0.02 1 1235 619 110 ARG HB2 H 1.853 0.02 1 1236 619 110 ARG HB3 H 1.853 0.02 1 1237 619 110 ARG HG2 H 1.622 0.02 1 1238 619 110 ARG HG3 H 1.622 0.02 1 1239 619 110 ARG HD2 H 3.181 0.02 1 1240 619 110 ARG HD3 H 3.181 0.02 1 1241 619 110 ARG C C 176.32 0.2 1 1242 619 110 ARG CA C 56.343 0.2 1 1243 619 110 ARG CB C 31.11 0.2 1 1244 619 110 ARG CG C 27.173 0.2 1 1245 619 110 ARG CD C 43.452 0.2 1 1246 619 110 ARG N N 120.474 0.2 1 1247 620 111 GLU H H 8.284 0.02 1 1248 620 111 GLU HA H 4.292 0.02 1 1249 620 111 GLU HB2 H 2.036 0.02 1 1250 620 111 GLU HB3 H 2.036 0.02 1 1251 620 111 GLU HG2 H 2.288 0.02 1 1252 620 111 GLU HG3 H 2.288 0.02 1 1253 620 111 GLU C C 175.495 0.2 1 1254 620 111 GLU CA C 56.656 0.2 1 1255 620 111 GLU CB C 30.191 0.2 1 1256 620 111 GLU CG C 36.289 0.2 1 1257 620 111 GLU N N 121.619 0.2 1 1258 621 112 ARG H H 7.856 0.02 1 1259 621 112 ARG HA H 4.151 0.02 1 1260 621 112 ARG HB2 H 1.831 0.02 1 1261 621 112 ARG HB3 H 1.831 0.02 1 1262 621 112 ARG HG2 H 1.595 0.02 1 1263 621 112 ARG HG3 H 1.595 0.02 1 1264 621 112 ARG HD2 H 3.187 0.02 1 1265 621 112 ARG HD3 H 3.187 0.02 1 1266 621 112 ARG C C 180.897 0.2 1 1267 621 112 ARG CA C 57.538 0.2 1 1268 621 112 ARG CB C 31.356 0.2 1 1269 621 112 ARG CG C 27.12 0.2 1 1270 621 112 ARG CD C 43.481 0.2 1 1271 621 112 ARG N N 126.431 0.2 1 stop_ save_