data_10019 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; GSPT1/eRF3a(PAM2-1)-PABC complex ; _BMRB_accession_number 10019 _BMRB_flat_file_name bmr10019.str _Entry_type original _Submission_date 2006-03-27 _Accession_date 2006-03-27 _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 Osawa Masanori . . 2 Shimada Ichio . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 538 "13C chemical shifts" 257 "15N chemical shifts" 77 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-27 original author . stop_ _Original_release_date 2010-05-27 save_ ############################# # Citation for this entry # ############################# save_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H and 15N Assigned Chemical Shifts for GSPT1/eRF3a(PAM2-1) and 1H, 13C and 15N Assigned Chemical Shifts for PABC ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Osawa Masanori . . 2 Shimada Ichio . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'GSPT1/eRF3a(PAM2-1) - PABC complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PAM2-1 $GSPT1_eRF3a PABC $polyA-binding_protein stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'protein hetero-multimer' _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_GSPT1_eRF3a _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PAM2-1 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 19 _Mol_residue_sequence AFSRQLNVNAKPFVPNVHA loop_ _Residue_seq_code _Residue_label 1 ALA 2 PHE 3 SER 4 ARG 5 GLN 6 LEU 7 ASN 8 VAL 9 ASN 10 ALA 11 LYS 12 PRO 13 PHE 14 VAL 15 PRO 16 ASN 17 VAL 18 HIS 19 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-19 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2RQG "Structure Of Gspt1ERF3A-Pabc" 100.00 19 100.00 100.00 3.72e-03 PDB 3KUI "Crystal Structure Of C-Terminal Domain Of Pabpc1 In Complex Binding Region Of Erf3a" 78.95 15 100.00 100.00 1.68e+00 DBJ BAA92160 "eukaryotic polypeptide chain release factor 3 [Oryctolagus cuniculus]" 100.00 588 100.00 100.00 2.47e-03 DBJ BAE22025 "unnamed protein product [Mus musculus]" 100.00 226 100.00 100.00 4.47e-03 DBJ BAJ20641 "G1 to S phase transition 1 [synthetic construct]" 100.00 634 100.00 100.00 1.67e-03 DBJ BAT46595 "G1 to S phase transition 1 [Tokudaia muenninki]" 100.00 634 100.00 100.00 9.57e-04 EMBL CAG31442 "hypothetical protein RCJMB04_6h9 [Gallus gallus]" 100.00 162 100.00 100.00 4.88e-02 EMBL CAH93403 "hypothetical protein [Pongo abelii]" 100.00 628 100.00 100.00 1.36e-03 GB AAH09503 "GSPT1 protein [Homo sapiens]" 100.00 633 100.00 100.00 1.67e-03 GB AAH31640 "G1 to S phase transition 1 [Mus musculus]" 100.00 587 100.00 100.00 1.83e-03 GB AAH77825 "Gspt2-prov protein [Xenopus laevis]" 73.68 553 100.00 100.00 5.54e+00 GB AAH79092 "G1 to S phase transition 1 [Rattus norvegicus]" 100.00 636 100.00 100.00 1.07e-03 GB AAH90081 "MGC97489 protein [Xenopus (Silurana) tropicalis]" 78.95 558 100.00 100.00 7.13e-01 REF NP_001003978 "eukaryotic peptide chain release factor GTP-binding subunit ERF3A [Rattus norvegicus]" 100.00 636 100.00 100.00 1.07e-03 REF NP_001015805 "eukaryotic peptide chain release factor GTP-binding subunit ERF3A [Xenopus (Silurana) tropicalis]" 78.95 573 100.00 100.00 6.67e-01 REF NP_001086960 "eukaryotic peptide chain release factor GTP-binding subunit ERF3A [Xenopus laevis]" 73.68 568 100.00 100.00 4.93e+00 REF NP_001091540 "eukaryotic peptide chain release factor GTP-binding subunit ERF3A [Bos taurus]" 100.00 636 100.00 100.00 1.67e-03 REF NP_001123478 "eukaryotic peptide chain release factor GTP-binding subunit ERF3A isoform 2 [Homo sapiens]" 100.00 636 100.00 100.00 1.50e-03 SP Q5R4B3 "RecName: Full=Eukaryotic peptide chain release factor GTP-binding subunit ERF3B; Short=Eukaryotic peptide chain release factor " 100.00 628 100.00 100.00 1.36e-03 SP Q8R050 "RecName: Full=Eukaryotic peptide chain release factor GTP-binding subunit ERF3A; Short=Eukaryotic peptide chain release factor " 100.00 636 100.00 100.00 1.02e-03 TPG DAA15601 "TPA: G1 to S phase transition 1 [Bos taurus]" 100.00 605 100.00 100.00 2.72e-03 stop_ save_ save_polyA-binding_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'PABC domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 83 _Mol_residue_sequence ; GQEPLTASMLASAPPQEQKQ MLGERLFPLIQAMHPTLAGK ITGMLLEIDNSELLHMLESP ESLRSKVDEAVAVLQAHQAK EAA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 541 GLY 2 542 GLN 3 543 GLU 4 544 PRO 5 545 LEU 6 546 THR 7 547 ALA 8 548 SER 9 549 MET 10 550 LEU 11 551 ALA 12 552 SER 13 553 ALA 14 554 PRO 15 555 PRO 16 556 GLN 17 557 GLU 18 558 GLN 19 559 LYS 20 560 GLN 21 561 MET 22 562 LEU 23 563 GLY 24 564 GLU 25 565 ARG 26 566 LEU 27 567 PHE 28 568 PRO 29 569 LEU 30 570 ILE 31 571 GLN 32 572 ALA 33 573 MET 34 574 HIS 35 575 PRO 36 576 THR 37 577 LEU 38 578 ALA 39 579 GLY 40 580 LYS 41 581 ILE 42 582 THR 43 583 GLY 44 584 MET 45 585 LEU 46 586 LEU 47 587 GLU 48 588 ILE 49 589 ASP 50 590 ASN 51 591 SER 52 592 GLU 53 593 LEU 54 594 LEU 55 595 HIS 56 596 MET 57 597 LEU 58 598 GLU 59 599 SER 60 600 PRO 61 601 GLU 62 602 SER 63 603 LEU 64 604 ARG 65 605 SER 66 606 LYS 67 607 VAL 68 608 ASP 69 609 GLU 70 610 ALA 71 611 VAL 72 612 ALA 73 613 VAL 74 614 LEU 75 615 GLN 76 616 ALA 77 617 HIS 78 618 GLN 79 619 ALA 80 620 LYS 81 621 GLU 82 622 ALA 83 623 ALA 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 _Fraction $GSPT1_eRF3a mouse 10090 Eukaryota Metazoa Mus musculas no $polyA-binding_protein human 9606 Eukaryota Metazoa Homo sapiens no stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $GSPT1_eRF3a 'recombinant technology' . . . . . $polyA-binding_protein 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GSPT1_eRF3a 1 mM unlabeled $polyA-binding_protein 1 mM '[U-95% 13C, U-95% 15N]' NaCl 150 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N-1H_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-1H HSQC' _Sample_label $sample_1 save_ save_13C-1H_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-1H HSQC' _Sample_label $sample_1 save_ save_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _Sample_label $sample_1 save_ save_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH _Sample_label $sample_1 save_ save_HBHA(CBCACO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CBCACO)NH _Sample_label $sample_1 save_ save_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_1 save_ save_15N-edited_TOCSY_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited TOCSY HSQC' _Sample_label $sample_1 save_ save_15N-edited_NOESY_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited NOESY HSQC' _Sample_label $sample_1 save_ save_13C,15N-filterd_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '13C,15N-filterd NOESY' _Sample_label $sample_1 save_ save_13C,15N-filterd_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '13C,15N-filterd TOCSY' _Sample_label $sample_1 save_ save_15N-1H_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '15N-1H HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_13C-1H_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '13C-1H HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_CBCA(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCACB _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_C(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_H(CCO)NH _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_HBHA(CBCACO)NH _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CBCACO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_HCCH-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_15N-edited_TOCSY_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited TOCSY HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_15N-edited_NOESY_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited NOESY HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_13C_15N-filterd_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '13C,15N-filterd NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_13C_15N-filterd_TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name '13C,15N-filterd TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 0.01 M pH 6.5 0.1 pH temperature 303 0.01 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '15N-1H HSQC' '13C-1H HSQC' CBCA(CO)NH HNCACB C(CO)NH H(CCO)NH HBHA(CBCACO)NH HCCH-TOCSY '15N-edited TOCSY HSQC' '15N-edited NOESY HSQC' '13C,15N-filterd NOESY' '13C,15N-filterd TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name PAM2-1 _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 64 1 ALA H H 8.398 0.020 1 2 64 1 ALA HA H 4.239 0.020 1 3 64 1 ALA HB H 1.283 0.020 1 4 65 2 PHE H H 8.100 0.020 1 5 65 2 PHE HA H 4.541 0.020 1 6 65 2 PHE HB2 H 3.119 0.020 2 7 65 2 PHE HB3 H 3.010 0.020 2 8 65 2 PHE HD1 H 7.210 0.020 1 9 65 2 PHE HD2 H 7.210 0.020 1 10 65 2 PHE HE1 H 7.219 0.020 1 11 65 2 PHE HE2 H 7.219 0.020 1 12 65 2 PHE HZ H 7.299 0.020 1 13 66 3 SER H H 8.133 0.020 1 14 66 3 SER HA H 4.290 0.020 1 15 66 3 SER HB2 H 3.812 0.020 1 16 66 3 SER HB3 H 3.812 0.020 1 17 67 4 ARG H H 8.102 0.020 1 18 67 4 ARG HA H 4.303 0.020 1 19 67 4 ARG HB2 H 1.818 0.020 2 20 67 4 ARG HB3 H 1.752 0.020 2 21 68 5 GLN H H 8.241 0.020 1 22 68 5 GLN HA H 4.371 0.020 1 23 68 5 GLN HB2 H 2.003 0.020 1 24 68 5 GLN HB3 H 2.003 0.020 1 25 68 5 GLN HG2 H 2.353 0.020 1 26 68 5 GLN HG3 H 2.353 0.020 1 27 68 5 GLN HE21 H 7.462 0.020 2 28 68 5 GLN HE22 H 6.874 0.020 2 29 69 6 LEU H H 8.488 0.020 1 30 69 6 LEU HA H 4.302 0.020 1 31 69 6 LEU HB2 H 1.654 0.020 1 32 69 6 LEU HB3 H 1.654 0.020 1 33 69 6 LEU HG H 1.027 0.020 1 34 69 6 LEU HD1 H 0.745 0.020 2 35 69 6 LEU HD2 H 0.705 0.020 2 36 70 7 ASN H H 8.949 0.020 1 37 70 7 ASN HA H 4.776 0.020 1 38 70 7 ASN HB2 H 3.196 0.020 2 39 70 7 ASN HB3 H 2.796 0.020 2 40 70 7 ASN HD21 H 8.459 0.020 2 41 70 7 ASN HD22 H 6.915 0.020 2 42 71 8 VAL H H 8.563 0.020 1 43 71 8 VAL HA H 3.815 0.020 1 44 71 8 VAL HB H 1.883 0.020 1 45 71 8 VAL HG1 H 0.668 0.020 2 46 71 8 VAL HG2 H 0.519 0.020 2 47 72 9 ASN H H 7.918 0.020 1 48 72 9 ASN HA H 4.722 0.020 1 49 72 9 ASN HB2 H 2.917 0.020 2 50 72 9 ASN HB3 H 2.693 0.020 2 51 72 9 ASN HD21 H 7.613 0.020 2 52 72 9 ASN HD22 H 6.913 0.020 2 53 73 10 ALA H H 7.261 0.020 1 54 73 10 ALA HA H 3.957 0.020 1 55 73 10 ALA HB H 1.223 0.020 1 56 74 11 LYS H H 8.609 0.020 1 57 74 11 LYS HA H 4.366 0.020 1 58 74 11 LYS HB2 H 1.763 0.020 1 59 74 11 LYS HB3 H 1.763 0.020 1 60 75 12 PRO HA H 4.351 0.020 1 61 75 12 PRO HD2 H 4.085 0.020 2 62 75 12 PRO HD3 H 3.842 0.020 2 63 76 13 PHE H H 8.095 0.020 1 64 76 13 PHE HA H 4.387 0.020 1 65 76 13 PHE HB2 H 2.807 0.020 1 66 76 13 PHE HB3 H 2.807 0.020 1 67 76 13 PHE HD1 H 6.923 0.020 1 68 76 13 PHE HD2 H 6.923 0.020 1 69 76 13 PHE HE1 H 7.141 0.020 1 70 76 13 PHE HE2 H 7.141 0.020 1 71 76 13 PHE HZ H 7.201 0.020 1 72 77 14 VAL H H 7.392 0.020 1 73 77 14 VAL HA H 3.942 0.020 1 74 77 14 VAL HB H 1.785 0.020 1 75 77 14 VAL HG1 H 1.571 0.020 2 76 77 14 VAL HG2 H 0.665 0.020 2 77 78 15 PRO HA H 3.958 0.020 1 78 78 15 PRO HB2 H 1.940 0.020 2 79 78 15 PRO HB3 H 1.727 0.020 2 80 78 15 PRO HG2 H 2.434 0.020 2 81 78 15 PRO HG3 H 2.201 0.020 2 82 78 15 PRO HD2 H 3.691 0.020 2 83 78 15 PRO HD3 H 3.203 0.020 2 84 79 16 ASN H H 9.485 0.020 1 85 79 16 ASN HA H 4.479 0.020 1 86 79 16 ASN HB2 H 2.686 0.020 1 87 79 16 ASN HB3 H 2.686 0.020 1 88 79 16 ASN HD21 H 7.571 0.020 2 89 79 16 ASN HD22 H 6.857 0.020 2 90 80 17 VAL H H 7.918 0.020 1 91 80 17 VAL HA H 4.004 0.020 1 92 80 17 VAL HG1 H 1.951 0.020 2 93 80 17 VAL HG2 H 0.784 0.020 2 94 81 18 HIS H H 8.320 0.020 1 95 81 18 HIS HA H 4.631 0.020 1 96 81 18 HIS HB2 H 3.164 0.020 2 97 81 18 HIS HB3 H 3.080 0.020 2 98 81 18 HIS HD1 H 7.116 0.020 1 99 82 19 ALA H H 8.080 0.020 1 100 82 19 ALA HA H 4.117 0.020 1 101 82 19 ALA HB H 1.337 0.020 1 stop_ save_ save_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '15N-1H HSQC' '13C-1H HSQC' CBCA(CO)NH HNCACB C(CO)NH H(CCO)NH HBHA(CBCACO)NH HCCH-TOCSY '15N-edited TOCSY HSQC' '15N-edited NOESY HSQC' '13C,15N-filterd NOESY' '13C,15N-filterd TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name PABC _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 1 541 1 GLY H H 8.405 0.020 1 2 541 1 GLY HA2 H 3.924 0.020 1 3 541 1 GLY HA3 H 3.924 0.020 1 4 541 1 GLY CA C 42.990 0.400 1 5 541 1 GLY N N 110.045 0.400 1 6 542 2 GLN H H 8.133 0.020 1 7 542 2 GLN HA H 4.332 0.020 1 8 542 2 GLN HB2 H 2.056 0.020 2 9 542 2 GLN HB3 H 1.893 0.020 2 10 542 2 GLN HG2 H 2.282 0.020 1 11 542 2 GLN HG3 H 2.282 0.020 1 12 542 2 GLN CA C 53.161 0.400 1 13 542 2 GLN CB C 27.510 0.400 1 14 542 2 GLN CG C 31.668 0.400 1 15 542 2 GLN N N 119.387 0.400 1 16 543 3 GLU H H 8.568 0.020 1 17 543 3 GLU HA H 4.508 0.020 1 18 543 3 GLU HB2 H 2.005 0.020 2 19 543 3 GLU HB3 H 1.862 0.020 2 20 543 3 GLU HG2 H 2.257 0.020 1 21 543 3 GLU HG3 H 2.257 0.020 1 22 543 3 GLU CA C 52.419 0.400 1 23 543 3 GLU CB C 27.226 0.400 1 24 543 3 GLU N N 124.430 0.400 1 25 544 4 PRO HA H 4.329 0.020 1 26 544 4 PRO HB2 H 2.258 0.020 2 27 544 4 PRO HB3 H 1.751 0.020 2 28 544 4 PRO HG2 H 1.987 0.020 2 29 544 4 PRO HG3 H 1.965 0.020 2 30 544 4 PRO HD2 H 3.810 0.020 2 31 544 4 PRO HD3 H 3.654 0.020 2 32 544 4 PRO CA C 60.975 0.400 1 33 544 4 PRO CB C 29.904 0.400 1 34 544 4 PRO CG C 25.033 0.400 1 35 544 4 PRO CD C 48.511 0.400 1 36 545 5 LEU H H 8.362 0.020 1 37 545 5 LEU HA H 4.530 0.020 1 38 545 5 LEU HB2 H 1.478 0.020 2 39 545 5 LEU HB3 H 1.312 0.020 2 40 545 5 LEU HD1 H 0.855 0.020 2 41 545 5 LEU HD2 H 0.742 0.020 2 42 545 5 LEU CA C 52.504 0.400 1 43 545 5 LEU CB C 40.918 0.400 1 44 545 5 LEU CD1 C 22.759 0.400 1 45 545 5 LEU CD2 C 23.395 0.400 1 46 545 5 LEU N N 122.699 0.400 1 47 546 6 THR H H 7.263 0.020 1 48 546 6 THR HA H 4.618 0.020 1 49 546 6 THR HB H 4.599 0.020 1 50 546 6 THR HG2 H 1.167 0.020 1 51 546 6 THR CA C 56.808 0.400 1 52 546 6 THR CB C 69.713 0.400 1 53 546 6 THR CG2 C 19.520 0.400 1 54 546 6 THR N N 113.316 0.400 1 55 547 7 ALA H H 9.052 0.020 1 56 547 7 ALA HA H 3.920 0.020 1 57 547 7 ALA HB H 1.405 0.020 1 58 547 7 ALA CA C 53.148 0.400 1 59 547 7 ALA CB C 15.523 0.400 1 60 547 7 ALA N N 123.403 0.400 1 61 548 8 SER HA H 4.157 0.020 1 62 548 8 SER HB2 H 3.813 0.020 1 63 548 8 SER HB3 H 3.813 0.020 1 64 548 8 SER CA C 58.965 0.400 1 65 548 8 SER CB C 60.310 0.400 1 66 549 9 MET H H 7.582 0.020 1 67 549 9 MET HA H 4.073 0.020 1 68 549 9 MET HB2 H 2.159 0.020 2 69 549 9 MET HB3 H 2.119 0.020 2 70 549 9 MET HG2 H 2.552 0.020 2 71 549 9 MET HG3 H 2.480 0.020 2 72 549 9 MET HE H 2.077 0.020 1 73 549 9 MET CA C 56.179 0.400 1 74 549 9 MET CB C 31.572 0.400 1 75 549 9 MET CG C 29.527 0.400 1 76 549 9 MET CE C 14.870 0.400 1 77 549 9 MET N N 122.297 0.400 1 78 550 10 LEU H H 7.701 0.020 1 79 550 10 LEU HA H 3.998 0.020 1 80 550 10 LEU HB2 H 2.134 0.020 2 81 550 10 LEU HB3 H 1.659 0.020 2 82 550 10 LEU HD1 H 0.900 0.020 2 83 550 10 LEU HD2 H 0.887 0.020 2 84 550 10 LEU CA C 55.832 0.400 1 85 550 10 LEU CB C 40.032 0.400 1 86 550 10 LEU CD1 C 23.643 0.400 1 87 550 10 LEU CD2 C 22.939 0.400 1 88 550 10 LEU N N 118.604 0.400 1 89 551 11 ALA H H 7.707 0.020 1 90 551 11 ALA HA H 4.027 0.020 1 91 551 11 ALA HB H 1.435 0.020 1 92 551 11 ALA CA C 52.006 0.400 1 93 551 11 ALA CB C 16.288 0.400 1 94 551 11 ALA N N 117.007 0.400 1 95 552 12 SER H H 7.349 0.020 1 96 552 12 SER HA H 4.369 0.020 1 97 552 12 SER HB2 H 3.929 0.020 1 98 552 12 SER HB3 H 3.929 0.020 1 99 552 12 SER CA C 56.436 0.400 1 100 552 12 SER CB C 61.675 0.400 1 101 552 12 SER N N 110.400 0.400 1 102 553 13 ALA H H 7.595 0.020 1 103 553 13 ALA HA H 4.834 0.020 1 104 553 13 ALA HB H 1.374 0.020 1 105 553 13 ALA CA C 47.378 0.400 1 106 553 13 ALA CB C 17.146 0.400 1 107 553 13 ALA N N 126.778 0.400 1 108 554 14 PRO HA H 4.759 0.020 1 109 554 14 PRO HB2 H 2.499 0.020 2 110 554 14 PRO HB3 H 1.982 0.020 2 111 554 14 PRO HG2 H 2.086 0.020 2 112 554 14 PRO HG3 H 2.051 0.020 2 113 554 14 PRO HD2 H 3.887 0.020 2 114 554 14 PRO HD3 H 3.651 0.020 2 115 554 14 PRO CA C 59.484 0.400 1 116 554 14 PRO CB C 28.889 0.400 1 117 554 14 PRO CD C 48.200 0.400 1 118 555 15 PRO HA H 4.116 0.020 1 119 555 15 PRO HB2 H 2.389 0.020 2 120 555 15 PRO HB3 H 1.998 0.020 2 121 555 15 PRO HG2 H 2.209 0.020 2 122 555 15 PRO HG3 H 2.048 0.020 2 123 555 15 PRO HD2 H 3.897 0.020 2 124 555 15 PRO HD3 H 3.793 0.020 2 125 555 15 PRO CA C 64.272 0.400 1 126 555 15 PRO CB C 29.845 0.400 1 127 555 15 PRO CG C 25.254 0.400 1 128 555 15 PRO CD C 48.185 0.400 1 129 556 16 GLN H H 9.172 0.020 1 130 556 16 GLN HA H 4.171 0.020 1 131 556 16 GLN HB2 H 2.119 0.020 1 132 556 16 GLN HB3 H 2.119 0.020 1 133 556 16 GLN CA C 56.567 0.400 1 134 556 16 GLN CB C 25.200 0.400 1 135 556 16 GLN CG C 31.437 0.400 1 136 556 16 GLN N N 116.250 0.400 1 137 557 17 GLU H H 7.562 0.020 1 138 557 17 GLU HA H 4.308 0.020 1 139 557 17 GLU HB2 H 2.161 0.020 2 140 557 17 GLU HB3 H 2.014 0.020 2 141 557 17 GLU HG2 H 2.307 0.020 1 142 557 17 GLU HG3 H 2.307 0.020 1 143 557 17 GLU CA C 55.868 0.400 1 144 557 17 GLU CB C 27.495 0.400 1 145 557 17 GLU N N 120.352 0.400 1 146 558 18 GLN H H 7.976 0.020 1 147 558 18 GLN HA H 3.906 0.020 1 148 558 18 GLN HB2 H 2.328 0.020 2 149 558 18 GLN HB3 H 1.849 0.020 2 150 558 18 GLN HG2 H 2.579 0.020 2 151 558 18 GLN HG3 H 2.501 0.020 2 152 558 18 GLN HE21 H 7.527 0.020 2 153 558 18 GLN HE22 H 6.653 0.020 2 154 558 18 GLN CA C 57.467 0.400 1 155 558 18 GLN CB C 26.071 0.400 1 156 558 18 GLN CG C 31.876 0.400 1 157 558 18 GLN N N 119.123 0.400 1 158 558 18 GLN NE2 N 111.595 0.400 1 159 559 19 LYS H H 7.478 0.020 1 160 559 19 LYS HA H 4.006 0.020 1 161 559 19 LYS HB2 H 2.136 0.020 2 162 559 19 LYS HB3 H 1.802 0.020 2 163 559 19 LYS HG2 H 1.679 0.020 2 164 559 19 LYS HG3 H 1.571 0.020 2 165 559 19 LYS HE2 H 3.026 0.020 2 166 559 19 LYS CA C 55.339 0.400 1 167 559 19 LYS CB C 29.581 0.400 1 168 559 19 LYS CG C 21.604 0.400 1 169 559 19 LYS CD C 25.284 0.400 1 170 559 19 LYS CE C 40.938 0.400 1 171 559 19 LYS N N 113.219 0.400 1 172 560 20 GLN H H 7.607 0.020 1 173 560 20 GLN HA H 4.026 0.020 1 174 560 20 GLN HB2 H 2.288 0.020 1 175 560 20 GLN HB3 H 2.288 0.020 1 176 560 20 GLN CA C 57.188 0.400 1 177 560 20 GLN CB C 25.332 0.400 1 178 560 20 GLN CG C 30.621 0.400 1 179 560 20 GLN N N 119.376 0.400 1 180 561 21 MET H H 8.371 0.020 1 181 561 21 MET HA H 3.989 0.020 1 182 561 21 MET HB2 H 2.189 0.020 2 183 561 21 MET HB3 H 1.989 0.020 2 184 561 21 MET HG2 H 2.752 0.020 1 185 561 21 MET HG3 H 2.752 0.020 1 186 561 21 MET HE H 1.981 0.020 1 187 561 21 MET CA C 57.167 0.400 1 188 561 21 MET CB C 31.687 0.400 1 189 561 21 MET CG C 29.873 0.400 1 190 561 21 MET CE C 14.660 0.400 1 191 561 21 MET N N 117.591 0.400 1 192 562 22 LEU H H 7.735 0.020 1 193 562 22 LEU HA H 3.791 0.020 1 194 562 22 LEU HB2 H 1.852 0.020 2 195 562 22 LEU HB3 H 0.998 0.020 2 196 562 22 LEU HD1 H 0.763 0.020 2 197 562 22 LEU HD2 H 0.670 0.020 2 198 562 22 LEU CA C 55.772 0.400 1 199 562 22 LEU CB C 40.197 0.400 1 200 562 22 LEU CD1 C 24.022 0.400 1 201 562 22 LEU CD2 C 21.563 0.400 1 202 562 22 LEU N N 118.748 0.400 1 203 563 23 GLY H H 8.906 0.020 1 204 563 23 GLY HA2 H 2.738 0.020 2 205 563 23 GLY HA3 H 2.914 0.020 2 206 563 23 GLY CA C 45.869 0.400 1 207 563 23 GLY N N 109.141 0.400 1 208 564 24 GLU H H 8.438 0.020 1 209 564 24 GLU HA H 4.190 0.020 1 210 564 24 GLU HB2 H 2.136 0.020 1 211 564 24 GLU HB3 H 2.136 0.020 1 212 564 24 GLU HG2 H 2.732 0.020 2 213 564 24 GLU HG3 H 2.621 0.020 2 214 564 24 GLU CA C 56.432 0.400 1 215 564 24 GLU CB C 27.055 0.400 1 216 564 24 GLU CG C 34.245 0.400 1 217 564 24 GLU N N 118.394 0.400 1 218 565 25 ARG H H 7.042 0.020 1 219 565 25 ARG HA H 4.326 0.020 1 220 565 25 ARG HB2 H 1.979 0.020 2 221 565 25 ARG HB3 H 1.819 0.020 2 222 565 25 ARG HG2 H 1.752 0.020 1 223 565 25 ARG HG3 H 1.752 0.020 1 224 565 25 ARG HD2 H 3.195 0.020 2 225 565 25 ARG HD3 H 3.114 0.020 2 226 565 25 ARG CA C 54.357 0.400 1 227 565 25 ARG CB C 30.893 0.400 1 228 565 25 ARG CG C 24.896 0.400 1 229 565 25 ARG CD C 40.387 0.400 1 230 565 25 ARG N N 115.195 0.400 1 231 566 26 LEU H H 8.316 0.020 1 232 566 26 LEU HA H 3.953 0.020 1 233 566 26 LEU HB2 H 1.615 0.020 2 234 566 26 LEU HB3 H 1.310 0.020 2 235 566 26 LEU HD1 H 0.688 0.020 2 236 566 26 LEU HD2 H 0.722 0.020 2 237 566 26 LEU CA C 55.154 0.400 1 238 566 26 LEU CB C 41.901 0.400 1 239 566 26 LEU CD1 C 24.260 0.400 1 240 566 26 LEU CD2 C 22.037 0.400 1 241 566 26 LEU N N 119.333 0.400 1 242 567 27 PHE H H 8.668 0.020 1 243 567 27 PHE HA H 4.256 0.020 1 244 567 27 PHE HB2 H 2.407 0.020 2 245 567 27 PHE HB3 H 1.835 0.020 2 246 567 27 PHE HD1 H 7.071 0.020 1 247 567 27 PHE HD2 H 7.071 0.020 1 248 567 27 PHE CA C 61.481 0.400 1 249 567 27 PHE CB C 34.629 0.400 1 250 567 27 PHE N N 117.619 0.400 1 251 568 28 PRO HA H 4.208 0.020 1 252 568 28 PRO HB2 H 2.399 0.020 2 253 568 28 PRO HB3 H 1.820 0.020 2 254 568 28 PRO HG2 H 2.151 0.020 1 255 568 28 PRO HG3 H 2.151 0.020 1 256 568 28 PRO HD2 H 3.843 0.020 2 257 568 28 PRO HD3 H 3.770 0.020 2 258 568 28 PRO CA C 63.568 0.400 1 259 568 28 PRO CB C 28.696 0.400 1 260 568 28 PRO CG C 25.990 0.400 1 261 568 28 PRO CD C 47.951 0.400 1 262 569 29 LEU H H 6.732 0.020 1 263 569 29 LEU HA H 4.040 0.020 1 264 569 29 LEU HB2 H 2.001 0.020 2 265 569 29 LEU HB3 H 1.319 0.020 2 266 569 29 LEU HG H 1.840 0.020 1 267 569 29 LEU HD1 H 0.910 0.020 2 268 569 29 LEU HD2 H 0.825 0.020 2 269 569 29 LEU CA C 54.668 0.400 1 270 569 29 LEU CB C 39.475 0.400 1 271 569 29 LEU CD1 C 24.060 0.400 1 272 569 29 LEU CD2 C 19.624 0.400 1 273 569 29 LEU N N 116.282 0.400 1 274 570 30 ILE H H 7.832 0.020 1 275 570 30 ILE HA H 3.644 0.020 1 276 570 30 ILE HB H 1.623 0.020 1 277 570 30 ILE HG12 H 1.798 0.020 2 278 570 30 ILE HG13 H 1.629 0.020 2 279 570 30 ILE HG2 H 0.851 0.020 1 280 570 30 ILE HD1 H 0.776 0.020 1 281 570 30 ILE CA C 62.426 0.400 1 282 570 30 ILE CB C 35.283 0.400 1 283 570 30 ILE CG1 C 26.664 0.400 1 284 570 30 ILE CG2 C 15.967 0.400 1 285 570 30 ILE CD1 C 12.435 0.400 1 286 570 30 ILE N N 120.052 0.400 1 287 571 31 GLN H H 8.981 0.020 1 288 571 31 GLN HA H 3.473 0.020 1 289 571 31 GLN HB2 H 1.756 0.020 2 290 571 31 GLN HB3 H 1.142 0.020 2 291 571 31 GLN HG2 H 2.074 0.020 2 292 571 31 GLN HG3 H 2.019 0.020 2 293 571 31 GLN CA C 56.613 0.400 1 294 571 31 GLN CB C 26.297 0.400 1 295 571 31 GLN CG C 31.833 0.400 1 296 571 31 GLN N N 123.161 0.400 1 297 572 32 ALA H H 6.727 0.020 1 298 572 32 ALA HA H 4.027 0.020 1 299 572 32 ALA HB H 1.386 0.020 1 300 572 32 ALA CA C 51.478 0.400 1 301 572 32 ALA CB C 16.096 0.400 1 302 572 32 ALA N N 115.973 0.400 1 303 573 33 MET H H 7.146 0.020 1 304 573 33 MET HA H 4.121 0.020 1 305 573 33 MET HB2 H 2.065 0.020 2 306 573 33 MET HB3 H 1.797 0.020 2 307 573 33 MET HG2 H 2.716 0.020 2 308 573 33 MET HG3 H 2.451 0.020 2 309 573 33 MET HE H 1.982 0.020 1 310 573 33 MET CA C 55.370 0.400 1 311 573 33 MET CB C 33.196 0.400 1 312 573 33 MET CG C 30.112 0.400 1 313 573 33 MET CE C 15.606 0.400 1 314 573 33 MET N N 114.844 0.400 1 315 574 34 HIS H H 8.017 0.020 1 316 574 34 HIS HA H 4.828 0.020 1 317 574 34 HIS HB2 H 2.862 0.020 2 318 574 34 HIS HB3 H 2.438 0.020 2 319 574 34 HIS CA C 51.756 0.400 1 320 574 34 HIS CB C 29.843 0.400 1 321 574 34 HIS N N 115.848 0.400 1 322 575 35 PRO HA H 4.359 0.020 1 323 575 35 PRO HB2 H 2.440 0.020 2 324 575 35 PRO HB3 H 2.029 0.020 2 325 575 35 PRO HG2 H 2.137 0.020 1 326 575 35 PRO HG3 H 2.137 0.020 1 327 575 35 PRO HD2 H 3.709 0.020 2 328 575 35 PRO HD3 H 3.313 0.020 2 329 575 35 PRO CA C 63.895 0.400 1 330 575 35 PRO CB C 29.594 0.400 1 331 575 35 PRO CG C 24.633 0.400 1 332 575 35 PRO CD C 47.694 0.400 1 333 576 36 THR H H 8.236 0.020 1 334 576 36 THR HA H 4.413 0.020 1 335 576 36 THR HB H 4.351 0.020 1 336 576 36 THR HG2 H 1.284 0.020 1 337 576 36 THR CA C 61.619 0.400 1 338 576 36 THR CB C 66.759 0.400 1 339 576 36 THR CG2 C 19.996 0.400 1 340 576 36 THR N N 108.015 0.400 1 341 577 37 LEU H H 7.495 0.020 1 342 577 37 LEU HA H 4.776 0.020 1 343 577 37 LEU HB2 H 1.578 0.020 2 344 577 37 LEU HB3 H 1.325 0.020 2 345 577 37 LEU HD1 H 0.835 0.020 2 346 577 37 LEU HD2 H 0.715 0.020 2 347 577 37 LEU CA C 51.797 0.400 1 348 577 37 LEU CB C 41.290 0.400 1 349 577 37 LEU CD1 C 20.515 0.400 1 350 577 37 LEU CD2 C 23.338 0.400 1 351 577 37 LEU N N 119.873 0.400 1 352 578 38 ALA H H 7.352 0.020 1 353 578 38 ALA HA H 3.779 0.020 1 354 578 38 ALA HB H 1.112 0.020 1 355 578 38 ALA CA C 54.232 0.400 1 356 578 38 ALA CB C 16.150 0.400 1 357 578 38 ALA N N 121.576 0.400 1 358 579 39 GLY HA2 H 4.310 0.020 1 359 579 39 GLY HA3 H 4.310 0.020 1 360 579 39 GLY CA C 45.890 0.400 1 361 580 40 LYS H H 8.420 0.020 1 362 580 40 LYS HA H 4.012 0.020 1 363 580 40 LYS HB2 H 1.979 0.020 2 364 580 40 LYS HB3 H 1.930 0.020 2 365 580 40 LYS HG2 H 1.579 0.020 2 366 580 40 LYS HG3 H 1.354 0.020 2 367 580 40 LYS HD2 H 1.743 0.020 2 368 580 40 LYS HD3 H 1.665 0.020 2 369 580 40 LYS HE2 H 2.935 0.020 2 370 580 40 LYS HE3 H 2.836 0.020 2 371 580 40 LYS CA C 56.396 0.400 1 372 580 40 LYS CB C 29.510 0.400 1 373 580 40 LYS CG C 22.525 0.400 1 374 580 40 LYS CD C 25.835 0.400 1 375 580 40 LYS CE C 40.370 0.400 1 376 580 40 LYS N N 127.089 0.400 1 377 581 41 ILE H H 8.823 0.020 1 378 581 41 ILE HA H 3.683 0.020 1 379 581 41 ILE HB H 1.633 0.020 1 380 581 41 ILE HG2 H 0.890 0.020 1 381 581 41 ILE HD1 H 0.537 0.020 1 382 581 41 ILE CA C 63.022 0.400 1 383 581 41 ILE CB C 36.268 0.400 1 384 581 41 ILE CG1 C 26.309 0.400 1 385 581 41 ILE CG2 C 16.574 0.400 1 386 581 41 ILE CD1 C 12.795 0.400 1 387 581 41 ILE N N 117.655 0.400 1 388 582 42 THR H H 8.520 0.020 1 389 582 42 THR HA H 4.459 0.020 1 390 582 42 THR HB H 3.545 0.020 1 391 582 42 THR HG2 H 0.907 0.020 1 392 582 42 THR CA C 66.050 0.400 1 393 582 42 THR CB C 66.666 0.400 1 394 582 42 THR CG2 C 19.651 0.400 1 395 582 42 THR N N 115.195 0.400 1 396 583 43 GLY H H 7.958 0.020 1 397 583 43 GLY HA2 H 3.771 0.020 2 398 583 43 GLY HA3 H 4.395 0.020 2 399 583 43 GLY CA C 45.343 0.400 1 400 583 43 GLY N N 106.468 0.400 1 401 584 44 MET H H 8.066 0.020 1 402 584 44 MET HA H 3.840 0.020 1 403 584 44 MET HB2 H 2.246 0.020 2 404 584 44 MET HB3 H 1.967 0.020 2 405 584 44 MET HG2 H 2.881 0.020 2 406 584 44 MET HG3 H 2.610 0.020 2 407 584 44 MET HE H 1.813 0.020 1 408 584 44 MET CA C 56.992 0.400 1 409 584 44 MET CB C 32.546 0.400 1 410 584 44 MET CG C 28.071 0.400 1 411 584 44 MET CE C 14.197 0.400 1 412 584 44 MET N N 119.094 0.400 1 413 585 45 LEU H H 8.266 0.020 1 414 585 45 LEU HA H 3.914 0.020 1 415 585 45 LEU HB2 H 1.723 0.020 2 416 585 45 LEU HB3 H 1.307 0.020 2 417 585 45 LEU HD1 H 0.718 0.020 2 418 585 45 LEU HD2 H 0.709 0.020 2 419 585 45 LEU CA C 55.365 0.400 1 420 585 45 LEU CB C 38.259 0.400 1 421 585 45 LEU CG C 25.812 0.400 1 422 585 45 LEU CD1 C 23.211 0.400 1 423 585 45 LEU CD2 C 22.016 0.400 1 424 585 45 LEU N N 119.257 0.400 1 425 586 46 LEU H H 8.008 0.020 1 426 586 46 LEU HA H 4.036 0.020 1 427 586 46 LEU HB2 H 1.851 0.020 2 428 586 46 LEU HB3 H 1.537 0.020 2 429 586 46 LEU HD1 H 0.673 0.020 2 430 586 46 LEU HD2 H 0.670 0.020 2 431 586 46 LEU CA C 54.406 0.400 1 432 586 46 LEU CB C 39.788 0.400 1 433 586 46 LEU CD1 C 23.747 0.400 1 434 586 46 LEU CD2 C 21.303 0.400 1 435 586 46 LEU N N 115.657 0.400 1 436 587 47 GLU H H 6.895 0.020 1 437 587 47 GLU HA H 4.162 0.020 1 438 587 47 GLU HB2 H 2.202 0.020 2 439 587 47 GLU HB3 H 1.959 0.020 2 440 587 47 GLU CA C 55.679 0.400 1 441 587 47 GLU CB C 27.782 0.400 1 442 587 47 GLU N N 115.153 0.400 1 443 588 48 ILE H H 7.803 0.020 1 444 588 48 ILE HA H 3.989 0.020 1 445 588 48 ILE HB H 2.172 0.020 1 446 588 48 ILE HG12 H 1.572 0.020 2 447 588 48 ILE HG13 H 1.427 0.020 2 448 588 48 ILE HG2 H 0.992 0.020 1 449 588 48 ILE HD1 H 0.793 0.020 1 450 588 48 ILE CA C 59.296 0.400 1 451 588 48 ILE CB C 34.776 0.400 1 452 588 48 ILE CG1 C 24.324 0.400 1 453 588 48 ILE CG2 C 14.832 0.400 1 454 588 48 ILE CD1 C 12.080 0.400 1 455 588 48 ILE N N 120.116 0.400 1 456 589 49 ASP H H 7.643 0.020 1 457 589 49 ASP HA H 4.233 0.020 1 458 589 49 ASP HB2 H 2.647 0.020 2 459 589 49 ASP HB3 H 2.639 0.020 2 460 589 49 ASP CA C 53.216 0.400 1 461 589 49 ASP CB C 40.929 0.400 1 462 589 49 ASP N N 118.357 0.400 1 463 590 50 ASN H H 8.656 0.020 1 464 590 50 ASN HA H 4.240 0.020 1 465 590 50 ASN HB2 H 2.858 0.020 2 466 590 50 ASN HB3 H 2.473 0.020 2 467 590 50 ASN HD21 H 7.282 0.020 2 468 590 50 ASN HD22 H 6.425 0.020 2 469 590 50 ASN CA C 53.769 0.400 1 470 590 50 ASN CB C 35.058 0.400 1 471 590 50 ASN N N 122.629 0.400 1 472 590 50 ASN ND2 N 108.068 0.400 1 473 591 51 SER H H 8.641 0.020 1 474 591 51 SER HA H 4.135 0.020 1 475 591 51 SER HB2 H 3.886 0.020 1 476 591 51 SER HB3 H 3.886 0.020 1 477 591 51 SER CA C 59.566 0.400 1 478 591 51 SER CB C 59.211 0.400 1 479 591 51 SER N N 114.567 0.400 1 480 592 52 GLU H H 7.277 0.020 1 481 592 52 GLU HA H 4.232 0.020 1 482 592 52 GLU HB2 H 2.136 0.020 2 483 592 52 GLU HB3 H 2.065 0.020 2 484 592 52 GLU HG2 H 2.313 0.020 2 485 592 52 GLU HG3 H 2.200 0.020 2 486 592 52 GLU CA C 56.399 0.400 1 487 592 52 GLU CB C 27.058 0.400 1 488 592 52 GLU CG C 34.135 0.400 1 489 592 52 GLU N N 123.671 0.400 1 490 593 53 LEU H H 7.701 0.020 1 491 593 53 LEU HA H 4.136 0.020 1 492 593 53 LEU HB2 H 2.069 0.020 2 493 593 53 LEU HB3 H 1.120 0.020 2 494 593 53 LEU HG H 1.582 0.020 1 495 593 53 LEU HD1 H 0.931 0.020 2 496 593 53 LEU HD2 H 0.779 0.020 2 497 593 53 LEU CA C 55.871 0.400 1 498 593 53 LEU CB C 40.597 0.400 1 499 593 53 LEU CD1 C 24.511 0.400 1 500 593 53 LEU CD2 C 20.083 0.400 1 501 593 53 LEU N N 121.062 0.400 1 502 594 54 LEU H H 8.329 0.020 1 503 594 54 LEU HA H 3.878 0.020 1 504 594 54 LEU HB2 H 1.712 0.020 2 505 594 54 LEU HB3 H 1.522 0.020 2 506 594 54 LEU HD1 H 0.763 0.020 2 507 594 54 LEU HD2 H 0.699 0.020 2 508 594 54 LEU CA C 52.936 0.400 1 509 594 54 LEU CB C 39.423 0.400 1 510 594 54 LEU CG C 24.180 0.400 1 511 594 54 LEU CD1 C 22.835 0.400 1 512 594 54 LEU CD2 C 21.720 0.400 1 513 594 54 LEU N N 117.909 0.400 1 514 595 55 HIS H H 7.376 0.020 1 515 595 55 HIS HA H 4.447 0.020 1 516 595 55 HIS HB2 H 3.413 0.020 2 517 595 55 HIS HB3 H 3.247 0.020 2 518 595 55 HIS CA C 56.518 0.400 1 519 595 55 HIS CB C 26.318 0.400 1 520 595 55 HIS N N 117.022 0.400 1 521 596 56 MET H H 8.079 0.020 1 522 596 56 MET HA H 3.788 0.020 1 523 596 56 MET HB2 H 2.340 0.020 2 524 596 56 MET HB3 H 1.829 0.020 2 525 596 56 MET HE H 1.960 0.020 1 526 596 56 MET CA C 57.250 0.400 1 527 596 56 MET CB C 30.784 0.400 1 528 596 56 MET CG C 30.058 0.400 1 529 596 56 MET CE C 16.075 0.400 1 530 596 56 MET N N 118.914 0.400 1 531 597 57 LEU H H 7.459 0.020 1 532 597 57 LEU HA H 3.892 0.020 1 533 597 57 LEU HB2 H 1.938 0.020 2 534 597 57 LEU HB3 H 1.481 0.020 2 535 597 57 LEU HG H 1.726 0.020 1 536 597 57 LEU HD1 H 0.856 0.020 2 537 597 57 LEU HD2 H 0.724 0.020 2 538 597 57 LEU CA C 54.581 0.400 1 539 597 57 LEU CB C 39.440 0.400 1 540 597 57 LEU CD1 C 23.974 0.400 1 541 597 57 LEU CD2 C 21.484 0.400 1 542 597 57 LEU N N 115.780 0.400 1 543 598 58 GLU H H 7.232 0.020 1 544 598 58 GLU HA H 4.379 0.020 1 545 598 58 GLU HB2 H 2.061 0.020 1 546 598 58 GLU HB3 H 2.061 0.020 1 547 598 58 GLU HG2 H 2.310 0.020 1 548 598 58 GLU HG3 H 2.310 0.020 1 549 598 58 GLU CA C 53.981 0.400 1 550 598 58 GLU CB C 28.342 0.400 1 551 598 58 GLU CG C 33.700 0.400 1 552 598 58 GLU N N 116.378 0.400 1 553 599 59 SER H H 7.288 0.020 1 554 599 59 SER HA H 4.990 0.020 1 555 599 59 SER HB2 H 3.492 0.020 2 556 599 59 SER HB3 H 3.374 0.020 2 557 599 59 SER CA C 51.390 0.400 1 558 599 59 SER CB C 60.490 0.400 1 559 599 59 SER N N 113.809 0.400 1 560 600 60 PRO HA H 4.308 0.020 1 561 600 60 PRO HB2 H 2.383 0.020 2 562 600 60 PRO HB3 H 1.915 0.020 2 563 600 60 PRO HG2 H 2.090 0.020 2 564 600 60 PRO HG3 H 1.967 0.020 2 565 600 60 PRO HD2 H 3.897 0.020 2 566 600 60 PRO HD3 H 3.659 0.020 2 567 600 60 PRO CA C 63.111 0.400 1 568 600 60 PRO CB C 29.921 0.400 1 569 600 60 PRO CG C 24.833 0.400 1 570 600 60 PRO CD C 48.498 0.400 1 571 601 61 GLU H H 8.939 0.020 1 572 601 61 GLU HA H 4.059 0.020 1 573 601 61 GLU HB2 H 1.961 0.020 1 574 601 61 GLU HB3 H 1.961 0.020 1 575 601 61 GLU CA C 57.432 0.400 1 576 601 61 GLU CB C 26.447 0.400 1 577 601 61 GLU N N 117.529 0.400 1 578 602 62 SER H H 7.772 0.020 1 579 602 62 SER HA H 4.319 0.020 1 580 602 62 SER HB2 H 3.921 0.020 1 581 602 62 SER HB3 H 3.921 0.020 1 582 602 62 SER CA C 59.635 0.400 1 583 602 62 SER CB C 60.066 0.400 1 584 602 62 SER N N 117.407 0.400 1 585 603 63 LEU H H 7.873 0.020 1 586 603 63 LEU HA H 4.124 0.020 1 587 603 63 LEU HB2 H 1.895 0.020 2 588 603 63 LEU HB3 H 1.728 0.020 2 589 603 63 LEU HG H 1.317 0.020 1 590 603 63 LEU HD1 H 0.720 0.020 2 591 603 63 LEU HD2 H 0.782 0.020 2 592 603 63 LEU CA C 55.996 0.400 1 593 603 63 LEU CB C 38.257 0.400 1 594 603 63 LEU CD1 C 22.055 0.400 1 595 603 63 LEU CD2 C 24.816 0.400 1 596 603 63 LEU N N 122.231 0.400 1 597 604 64 ARG H H 8.327 0.020 1 598 604 64 ARG HA H 3.792 0.020 1 599 604 64 ARG HB2 H 1.907 0.020 1 600 604 64 ARG HB3 H 1.907 0.020 1 601 604 64 ARG CA C 57.349 0.400 1 602 604 64 ARG CB C 27.212 0.400 1 603 604 64 ARG CG C 24.678 0.400 1 604 604 64 ARG CD C 40.986 0.400 1 605 604 64 ARG N N 117.628 0.400 1 606 605 65 SER H H 7.709 0.020 1 607 605 65 SER HA H 4.261 0.020 1 608 605 65 SER HB2 H 3.986 0.020 1 609 605 65 SER HB3 H 3.986 0.020 1 610 605 65 SER CA C 59.408 0.400 1 611 605 65 SER CB C 60.482 0.400 1 612 605 65 SER N N 111.637 0.400 1 613 606 66 LYS H H 7.598 0.020 1 614 606 66 LYS HA H 4.214 0.020 1 615 606 66 LYS HB2 H 1.981 0.020 2 616 606 66 LYS HB3 H 1.809 0.020 2 617 606 66 LYS HG2 H 1.669 0.020 2 618 606 66 LYS HG3 H 1.505 0.020 2 619 606 66 LYS HD2 H 1.366 0.020 1 620 606 66 LYS HD3 H 1.366 0.020 1 621 606 66 LYS HE2 H 2.833 0.020 2 622 606 66 LYS HE3 H 2.703 0.020 2 623 606 66 LYS CA C 54.991 0.400 1 624 606 66 LYS CB C 29.427 0.400 1 625 606 66 LYS CG C 22.500 0.400 1 626 606 66 LYS CD C 25.154 0.400 1 627 606 66 LYS CE C 39.424 0.400 1 628 606 66 LYS N N 122.075 0.400 1 629 607 67 VAL H H 8.638 0.020 1 630 607 67 VAL HA H 3.438 0.020 1 631 607 67 VAL HB H 2.243 0.020 1 632 607 67 VAL HG1 H 1.098 0.020 2 633 607 67 VAL HG2 H 0.980 0.020 2 634 607 67 VAL CA C 65.113 0.400 1 635 607 67 VAL CB C 28.959 0.400 1 636 607 67 VAL CG1 C 20.210 0.400 1 637 607 67 VAL CG2 C 22.542 0.400 1 638 607 67 VAL N N 120.969 0.400 1 639 608 68 ASP H H 8.536 0.020 1 640 608 68 ASP HA H 4.325 0.020 1 641 608 68 ASP HB2 H 2.853 0.020 2 642 608 68 ASP HB3 H 2.586 0.020 2 643 608 68 ASP CA C 55.453 0.400 1 644 608 68 ASP CB C 37.410 0.400 1 645 608 68 ASP N N 119.598 0.400 1 646 609 69 GLU H H 7.669 0.020 1 647 609 69 GLU HA H 4.030 0.020 1 648 609 69 GLU HB2 H 2.208 0.020 1 649 609 69 GLU HB3 H 2.208 0.020 1 650 609 69 GLU CA C 57.252 0.400 1 651 609 69 GLU CB C 27.199 0.400 1 652 609 69 GLU CG C 33.942 0.400 1 653 609 69 GLU N N 121.743 0.400 1 654 610 70 ALA H H 8.167 0.020 1 655 610 70 ALA HA H 3.808 0.020 1 656 610 70 ALA HB H 1.506 0.020 1 657 610 70 ALA CA C 53.351 0.400 1 658 610 70 ALA CB C 16.477 0.400 1 659 610 70 ALA N N 122.313 0.400 1 660 611 71 VAL H H 8.603 0.020 1 661 611 71 VAL HA H 3.267 0.020 1 662 611 71 VAL HB H 1.975 0.020 1 663 611 71 VAL HG1 H 0.688 0.020 2 664 611 71 VAL HG2 H 0.489 0.020 2 665 611 71 VAL CA C 64.961 0.400 1 666 611 71 VAL CB C 29.198 0.400 1 667 611 71 VAL CG1 C 18.774 0.400 1 668 611 71 VAL CG2 C 21.241 0.400 1 669 611 71 VAL N N 117.855 0.400 1 670 612 72 ALA H H 7.743 0.020 1 671 612 72 ALA HA H 4.119 0.020 1 672 612 72 ALA HB H 1.506 0.020 1 673 612 72 ALA CA C 53.051 0.400 1 674 612 72 ALA CB C 15.529 0.400 1 675 612 72 ALA N N 121.839 0.400 1 676 613 73 VAL H H 8.090 0.020 1 677 613 73 VAL HA H 3.793 0.020 1 678 613 73 VAL HB H 2.147 0.020 1 679 613 73 VAL HG1 H 0.853 0.020 2 680 613 73 VAL HG2 H 1.091 0.020 2 681 613 73 VAL CA C 63.897 0.400 1 682 613 73 VAL CB C 29.342 0.400 1 683 613 73 VAL CG1 C 19.365 0.400 1 684 613 73 VAL CG2 C 20.934 0.400 1 685 613 73 VAL N N 119.521 0.400 1 686 614 74 LEU H H 8.217 0.020 1 687 614 74 LEU HA H 4.012 0.020 1 688 614 74 LEU HB2 H 1.841 0.020 2 689 614 74 LEU HB3 H 1.518 0.020 2 690 614 74 LEU HG H 1.635 0.020 1 691 614 74 LEU HD1 H 0.821 0.020 2 692 614 74 LEU HD2 H 0.892 0.020 2 693 614 74 LEU CA C 55.955 0.400 1 694 614 74 LEU CB C 39.508 0.400 1 695 614 74 LEU CD1 C 23.300 0.400 1 696 614 74 LEU CD2 C 21.419 0.400 1 697 614 74 LEU N N 121.872 0.400 1 698 615 75 GLN H H 8.601 0.020 1 699 615 75 GLN HA H 4.045 0.020 1 700 615 75 GLN HB2 H 2.144 0.020 2 701 615 75 GLN HB3 H 2.021 0.020 2 702 615 75 GLN CA C 56.133 0.400 1 703 615 75 GLN CB C 25.769 0.400 1 704 615 75 GLN CG C 32.045 0.400 1 705 615 75 GLN N N 118.231 0.400 1 706 616 76 ALA H H 7.820 0.020 1 707 616 76 ALA HA H 4.181 0.020 1 708 616 76 ALA HB H 1.457 0.020 1 709 616 76 ALA CA C 51.867 0.400 1 710 616 76 ALA CB C 16.038 0.400 1 711 616 76 ALA N N 121.519 0.400 1 712 617 77 HIS H H 7.785 0.020 1 713 617 77 HIS HA H 4.423 0.020 1 714 617 77 HIS HB2 H 3.306 0.020 2 715 617 77 HIS HB3 H 3.071 0.020 2 716 617 77 HIS CA C 55.950 0.400 1 717 617 77 HIS CB C 28.608 0.400 1 718 617 77 HIS N N 117.542 0.400 1 719 618 78 GLN H H 7.989 0.020 1 720 618 78 GLN HA H 4.090 0.020 1 721 618 78 GLN HB2 H 2.066 0.020 1 722 618 78 GLN HB3 H 2.066 0.020 1 723 618 78 GLN HG2 H 2.418 0.020 1 724 618 78 GLN HG3 H 2.418 0.020 1 725 618 78 GLN CA C 54.592 0.400 1 726 618 78 GLN CB C 26.557 0.400 1 727 618 78 GLN CG C 31.679 0.400 1 728 618 78 GLN N N 119.244 0.400 1 729 619 79 ALA H H 7.915 0.020 1 730 619 79 ALA HA H 4.210 0.020 1 731 619 79 ALA HB H 1.396 0.020 1 732 619 79 ALA CA C 50.691 0.400 1 733 619 79 ALA CB C 16.499 0.400 1 734 619 79 ALA N N 122.812 0.400 1 735 620 80 LYS H H 7.853 0.020 1 736 620 80 LYS HA H 4.208 0.020 1 737 620 80 LYS HB2 H 1.814 0.020 2 738 620 80 LYS HB3 H 1.766 0.020 2 739 620 80 LYS HG2 H 1.479 0.020 2 740 620 80 LYS HG3 H 1.417 0.020 2 741 620 80 LYS HD2 H 1.664 0.020 1 742 620 80 LYS HD3 H 1.664 0.020 1 743 620 80 LYS HE2 H 2.960 0.020 2 744 620 80 LYS HE3 H 2.831 0.020 2 745 620 80 LYS CA C 54.485 0.400 1 746 620 80 LYS CB C 30.567 0.400 1 747 620 80 LYS CG C 22.427 0.400 1 748 620 80 LYS CD C 27.012 0.400 1 749 620 80 LYS CE C 39.780 0.400 1 750 620 80 LYS N N 119.448 0.400 1 751 621 81 GLU H H 8.127 0.020 1 752 621 81 GLU HA H 4.180 0.020 1 753 621 81 GLU HB2 H 2.002 0.020 2 754 621 81 GLU HB3 H 1.864 0.020 2 755 621 81 GLU HG3 H 2.170 0.020 2 756 621 81 GLU CA C 54.397 0.400 1 757 621 81 GLU CB C 27.760 0.400 1 758 621 81 GLU CG C 34.127 0.400 1 759 621 81 GLU N N 120.921 0.400 1 760 622 82 ALA H H 8.036 0.020 1 761 622 82 ALA HA H 4.278 0.020 1 762 622 82 ALA HB H 1.349 0.020 1 763 622 82 ALA CA C 50.051 0.400 1 764 622 82 ALA CB C 17.011 0.400 1 765 622 82 ALA N N 124.844 0.400 1 766 623 83 ALA H H 7.754 0.020 1 767 623 83 ALA HA H 4.069 0.020 1 768 623 83 ALA HB H 1.303 0.020 1 769 623 83 ALA CA C 51.426 0.400 1 770 623 83 ALA CB C 17.862 0.400 1 771 623 83 ALA N N 129.152 0.400 1 stop_ save_