data_16910 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of HN,HA,HB,N,CA,CB and C' of the STAS domain of motor protein Prestin (Anion Transporter SLC26A5) ; _BMRB_accession_number 16910 _BMRB_flat_file_name bmr16910.str _Entry_type original _Submission_date 2010-04-30 _Accession_date 2010-04-30 _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 Bellanda Massimo . . 2 Gesiot Lorenzo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 437 "13C chemical shifts" 372 "15N chemical shifts" 121 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-02 original author . stop_ _Original_release_date 2011-05-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure of the cytosolic portion of motor protein prestin and functional role of the STAS domain in SLC26/SulP anion transporters.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20471983 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pasqualetto Elisa . . 2 Aiello Rosa . . 3 Gesiot Lorenzo . . 4 Bonetto Greta . . 5 Bellanda Massimo . . 6 Battistutta Roberto . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 400 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 448 _Page_last 462 _Year 2010 _Details . loop_ _Keyword 'motor protein' Prestin 'SLC26 anion transporters' 'STAS domain' 'SulP transporters' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Prestin STAS monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Prestin_STAS $Prestin_STAS stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Prestin_STAS _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Prestin_STAS _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 152 _Mol_residue_sequence ; SPSYTVLGQLPDTDVYIDID AYEEVKEIPGIKIFQINAPI YYANSDLYSSALKRKTGVNG SENIHTVILDFTQVNFMDSV GVKTLAGIVKEYGDVGIYVY LAGCSAQVVNDLTSNRFFEN PALKELLFHSIHDAVLGSQV REAMAEQETTVL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 505 SER 2 506 PRO 3 507 SER 4 508 TYR 5 509 THR 6 510 VAL 7 511 LEU 8 512 GLY 9 513 GLN 10 514 LEU 11 515 PRO 12 516 ASP 13 517 THR 14 518 ASP 15 519 VAL 16 520 TYR 17 521 ILE 18 522 ASP 19 523 ILE 20 524 ASP 21 525 ALA 22 526 TYR 23 527 GLU 24 528 GLU 25 529 VAL 26 530 LYS 27 531 GLU 28 532 ILE 29 533 PRO 30 534 GLY 31 535 ILE 32 536 LYS 33 537 ILE 34 538 PHE 35 539 GLN 36 540 ILE 37 541 ASN 38 542 ALA 39 543 PRO 40 544 ILE 41 545 TYR 42 546 TYR 43 547 ALA 44 548 ASN 45 549 SER 46 550 ASP 47 551 LEU 48 552 TYR 49 553 SER 50 554 SER 51 555 ALA 52 556 LEU 53 557 LYS 54 558 ARG 55 559 LYS 56 560 THR 57 561 GLY 58 562 VAL 59 563 ASN 60 635 GLY 61 636 SER 62 637 GLU 63 638 ASN 64 639 ILE 65 640 HIS 66 641 THR 67 642 VAL 68 643 ILE 69 644 LEU 70 645 ASP 71 646 PHE 72 647 THR 73 648 GLN 74 649 VAL 75 650 ASN 76 651 PHE 77 652 MET 78 653 ASP 79 654 SER 80 655 VAL 81 656 GLY 82 657 VAL 83 658 LYS 84 659 THR 85 660 LEU 86 661 ALA 87 662 GLY 88 663 ILE 89 664 VAL 90 665 LYS 91 666 GLU 92 667 TYR 93 668 GLY 94 669 ASP 95 670 VAL 96 671 GLY 97 672 ILE 98 673 TYR 99 674 VAL 100 675 TYR 101 676 LEU 102 677 ALA 103 678 GLY 104 679 CYS 105 680 SER 106 681 ALA 107 682 GLN 108 683 VAL 109 684 VAL 110 685 ASN 111 686 ASP 112 687 LEU 113 688 THR 114 689 SER 115 690 ASN 116 691 ARG 117 692 PHE 118 693 PHE 119 694 GLU 120 695 ASN 121 696 PRO 122 697 ALA 123 698 LEU 124 699 LYS 125 700 GLU 126 701 LEU 127 702 LEU 128 703 PHE 129 704 HIS 130 705 SER 131 706 ILE 132 707 HIS 133 708 ASP 134 709 ALA 135 710 VAL 136 711 LEU 137 712 GLY 138 713 SER 139 714 GLN 140 715 VAL 141 716 ARG 142 717 GLU 143 718 ALA 144 719 MET 145 720 ALA 146 721 GLU 147 722 GLN 148 723 GLU 149 724 THR 150 725 THR 151 726 VAL 152 727 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 3LLO "Crystal Structure Of The Stas Domain Of Motor Protein Prestin (Anion Transporter Slc26a5)" 94.08 143 100.00 100.00 5.30e-99 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Prestin_STAS 'Norway rat' 10116 Eukaryota Metazoa Rattus norvegicus 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 $Prestin_STAS 'recombinant technology' . Escherichia coli BL21 'pET SUMO (Invitrogen)' 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 $Prestin_STAS 1.2 mM '[U-13C; U-15N]' DTT 10 mM 'natural abundance' EDTA 1 mM 'natural abundance' 'potassium phosphate' 30 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.05 %w/v 'natural abundance' DSS 0.5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRPipe _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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_5 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HCACO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HA(CA)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HA(CA)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HN(CA)CO' '3D HCACO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HA(CA)NH' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D C(CO)NH' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Prestin_STAS _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 1 506 2 PRO HA H 4.52 0.02 1 2 506 2 PRO HB2 H 2.23 0.02 2 3 506 2 PRO HB3 H 1.82 0.02 2 4 506 2 PRO C C 177.30 0.30 1 5 506 2 PRO CA C 63.10 0.30 1 6 506 2 PRO CB C 32.00 0.30 1 7 507 3 SER H H 8.70 0.02 1 8 507 3 SER HA H 4.34 0.02 1 9 507 3 SER HB2 H 3.84 0.02 2 10 507 3 SER HB3 H 3.75 0.02 2 11 507 3 SER C C 174.60 0.30 1 12 507 3 SER CA C 60.10 0.30 1 13 507 3 SER CB C 63.10 0.30 1 14 507 3 SER N N 116.70 0.30 1 15 509 5 THR H H 8.89 0.02 1 16 509 5 THR HA H 4.51 0.02 1 17 509 5 THR HB H 3.96 0.02 1 18 509 5 THR C C 173.30 0.30 1 19 509 5 THR CA C 61.90 0.30 1 20 509 5 THR CB C 72.20 0.30 1 21 509 5 THR N N 118.10 0.30 1 22 510 6 VAL H H 9.33 0.02 1 23 510 6 VAL HA H 4.66 0.02 1 24 510 6 VAL HB H 2.12 0.02 1 25 510 6 VAL C C 175.10 0.30 1 26 510 6 VAL CA C 63.10 0.30 1 27 510 6 VAL CB C 31.70 0.30 1 28 510 6 VAL N N 130.50 0.30 1 29 511 7 LEU H H 8.36 0.02 1 30 511 7 LEU HA H 5.07 0.02 1 31 511 7 LEU HB2 H 1.53 0.02 2 32 511 7 LEU HB3 H 1.35 0.02 2 33 511 7 LEU C C 176.50 0.30 1 34 511 7 LEU CA C 52.50 0.30 1 35 511 7 LEU CB C 44.40 0.30 1 36 511 7 LEU N N 124.50 0.30 1 37 512 8 GLY H H 8.71 0.02 1 38 512 8 GLY HA2 H 4.40 0.02 2 39 512 8 GLY HA3 H 3.20 0.02 2 40 512 8 GLY C C 170.80 0.30 1 41 512 8 GLY CA C 43.70 0.30 1 42 512 8 GLY N N 105.00 0.30 1 43 513 9 GLN H H 8.86 0.02 1 44 513 9 GLN HA H 4.66 0.02 1 45 513 9 GLN HB2 H 2.12 0.02 2 46 513 9 GLN HB3 H 1.72 0.02 2 47 513 9 GLN C C 177.30 0.30 1 48 513 9 GLN CA C 53.90 0.30 1 49 513 9 GLN CB C 33.30 0.30 1 50 513 9 GLN N N 119.40 0.30 1 51 514 10 LEU H H 8.31 0.02 1 52 514 10 LEU HA H 4.59 0.02 1 53 514 10 LEU HB2 H 1.65 0.02 2 54 514 10 LEU HB3 H 1.42 0.02 2 55 514 10 LEU C C 175.30 0.30 1 56 514 10 LEU CA C 52.90 0.30 1 57 514 10 LEU CB C 41.00 0.30 1 58 514 10 LEU N N 130.50 0.30 1 59 515 11 PRO HA H 4.18 0.02 1 60 515 11 PRO HB2 H 2.28 0.02 2 61 515 11 PRO HB3 H 1.85 0.02 2 62 515 11 PRO C C 176.30 0.30 1 63 515 11 PRO CA C 64.40 0.30 1 64 515 11 PRO CB C 32.00 0.30 1 65 516 12 ASP H H 8.79 0.02 1 66 516 12 ASP HA H 4.28 0.02 1 67 516 12 ASP HB2 H 2.92 0.02 2 68 516 12 ASP HB3 H 2.86 0.02 2 69 516 12 ASP C C 175.10 0.30 1 70 516 12 ASP CA C 55.70 0.30 1 71 516 12 ASP CB C 39.60 0.30 1 72 516 12 ASP N N 115.70 0.30 1 73 517 13 THR H H 7.61 0.02 1 74 517 13 THR HA H 4.79 0.02 1 75 517 13 THR HB H 4.18 0.02 1 76 517 13 THR C C 173.00 0.30 1 77 517 13 THR CA C 60.50 0.30 1 78 517 13 THR CB C 72.80 0.30 1 79 517 13 THR N N 108.40 0.30 1 80 518 14 ASP H H 8.07 0.02 1 81 518 14 ASP HA H 4.44 0.02 1 82 518 14 ASP HB2 H 2.47 0.02 2 83 518 14 ASP HB3 H 2.03 0.02 2 84 518 14 ASP C C 174.80 0.30 1 85 518 14 ASP CA C 52.30 0.30 1 86 518 14 ASP CB C 39.50 0.30 1 87 518 14 ASP N N 118.20 0.30 1 88 519 15 VAL H H 7.97 0.02 1 89 519 15 VAL HA H 4.02 0.02 1 90 519 15 VAL HB H 2.04 0.02 1 91 519 15 VAL C C 174.10 0.30 1 92 519 15 VAL CA C 62.30 0.30 1 93 519 15 VAL CB C 32.90 0.30 1 94 519 15 VAL N N 120.20 0.30 1 95 520 16 TYR H H 8.11 0.02 1 96 520 16 TYR HA H 5.41 0.02 1 97 520 16 TYR HB2 H 2.72 0.02 2 98 520 16 TYR HB3 H 2.61 0.02 2 99 520 16 TYR C C 176.00 0.30 1 100 520 16 TYR CA C 56.50 0.30 1 101 520 16 TYR CB C 40.10 0.30 1 102 520 16 TYR N N 125.00 0.30 1 103 521 17 ILE H H 8.73 0.02 1 104 521 17 ILE HA H 4.63 0.02 1 105 521 17 ILE HB H 1.78 0.02 1 106 521 17 ILE C C 173.40 0.30 1 107 521 17 ILE CA C 59.50 0.30 1 108 521 17 ILE CB C 43.60 0.30 1 109 521 17 ILE N N 119.90 0.30 1 110 522 18 ASP H H 8.07 0.02 1 111 522 18 ASP HA H 4.43 0.02 1 112 522 18 ASP HB2 H 2.74 0.02 2 113 522 18 ASP HB3 H 2.65 0.02 2 114 522 18 ASP C C 177.40 0.30 1 115 522 18 ASP CA C 54.80 0.30 1 116 522 18 ASP CB C 41.90 0.30 1 117 522 18 ASP N N 122.70 0.30 1 118 523 19 ILE H H 8.57 0.02 1 119 523 19 ILE HA H 3.95 0.02 1 120 523 19 ILE HB H 1.70 0.02 1 121 523 19 ILE C C 175.60 0.30 1 122 523 19 ILE CA C 62.50 0.30 1 123 523 19 ILE CB C 38.90 0.30 1 124 523 19 ILE N N 125.40 0.30 1 125 524 20 ASP H H 8.43 0.02 1 126 524 20 ASP HA H 4.71 0.02 1 127 524 20 ASP HB2 H 2.74 0.02 2 128 524 20 ASP HB3 H 2.56 0.02 2 129 524 20 ASP C C 177.70 0.30 1 130 524 20 ASP CA C 54.30 0.30 1 131 524 20 ASP CB C 41.20 0.30 1 132 524 20 ASP N N 118.20 0.30 1 133 525 21 ALA H H 8.08 0.02 1 134 525 21 ALA HA H 3.95 0.02 1 135 525 21 ALA HB H 1.33 0.02 1 136 525 21 ALA C C 177.40 0.30 1 137 525 21 ALA CA C 54.40 0.30 1 138 525 21 ALA CB C 20.20 0.30 1 139 525 21 ALA N N 122.60 0.30 1 140 526 22 TYR H H 6.95 0.02 1 141 526 22 TYR HA H 4.76 0.02 1 142 526 22 TYR HB2 H 3.34 0.02 2 143 526 22 TYR HB3 H 2.65 0.02 2 144 526 22 TYR C C 176.10 0.30 1 145 526 22 TYR CA C 56.30 0.30 1 146 526 22 TYR CB C 41.30 0.30 1 147 526 22 TYR N N 110.70 0.30 1 148 527 23 GLU H H 8.96 0.02 1 149 527 23 GLU HA H 4.18 0.02 1 150 527 23 GLU C C 177.50 0.30 1 151 527 23 GLU CA C 58.80 0.30 1 152 527 23 GLU CB C 29.80 0.30 1 153 527 23 GLU N N 122.90 0.30 1 154 528 24 GLU H H 8.56 0.02 1 155 528 24 GLU HA H 4.14 0.02 1 156 528 24 GLU HB2 H 2.08 0.02 2 157 528 24 GLU HB3 H 1.87 0.02 2 158 528 24 GLU C C 176.50 0.30 1 159 528 24 GLU CA C 57.70 0.30 1 160 528 24 GLU CB C 29.50 0.30 1 161 528 24 GLU N N 114.90 0.30 1 162 529 25 VAL H H 7.17 0.02 1 163 529 25 VAL HA H 3.79 0.02 1 164 529 25 VAL HB H 2.10 0.02 1 165 529 25 VAL C C 175.30 0.30 1 166 529 25 VAL CA C 63.60 0.30 1 167 529 25 VAL CB C 31.50 0.30 1 168 529 25 VAL N N 118.00 0.30 1 169 530 26 LYS H H 8.10 0.02 1 170 530 26 LYS HA H 4.91 0.02 1 171 530 26 LYS HB2 H 1.93 0.02 2 172 530 26 LYS HB3 H 1.82 0.02 2 173 530 26 LYS C C 176.90 0.30 1 174 530 26 LYS CA C 54.20 0.30 1 175 530 26 LYS CB C 36.10 0.30 1 176 530 26 LYS N N 124.00 0.30 1 177 531 27 GLU H H 8.85 0.02 1 178 531 27 GLU HA H 4.34 0.02 1 179 531 27 GLU HB2 H 2.43 0.02 2 180 531 27 GLU HB3 H 1.90 0.02 2 181 531 27 GLU C C 176.00 0.30 1 182 531 27 GLU CA C 57.70 0.30 1 183 531 27 GLU CB C 31.10 0.30 1 184 531 27 GLU N N 122.00 0.30 1 185 532 28 ILE H H 9.88 0.02 1 186 532 28 ILE HA H 4.39 0.02 1 187 532 28 ILE HB H 1.81 0.02 1 188 532 28 ILE C C 174.50 0.30 1 189 532 28 ILE CA C 58.50 0.30 1 190 532 28 ILE CB C 39.10 0.30 1 191 532 28 ILE N N 127.70 0.30 1 192 533 29 PRO HA H 4.26 0.02 1 193 533 29 PRO HB2 H 2.34 0.02 2 194 533 29 PRO HB3 H 1.95 0.02 2 195 533 29 PRO C C 177.50 0.30 1 196 533 29 PRO CA C 64.20 0.30 1 197 533 29 PRO CB C 31.90 0.30 1 198 534 30 GLY H H 8.78 0.02 1 199 534 30 GLY HA2 H 4.10 0.02 2 200 534 30 GLY HA3 H 3.87 0.02 2 201 534 30 GLY C C 172.40 0.30 1 202 534 30 GLY CA C 45.00 0.30 1 203 534 30 GLY N N 111.70 0.30 1 204 535 31 ILE H H 8.02 0.02 1 205 535 31 ILE HA H 5.03 0.02 1 206 535 31 ILE HB H 1.55 0.02 1 207 535 31 ILE C C 175.80 0.30 1 208 535 31 ILE CA C 59.60 0.30 1 209 535 31 ILE CB C 41.50 0.30 1 210 535 31 ILE N N 120.30 0.30 1 211 536 32 LYS H H 8.34 0.02 1 212 536 32 LYS HA H 4.65 0.02 1 213 536 32 LYS HB2 H 1.43 0.02 2 214 536 32 LYS HB3 H 1.36 0.02 2 215 536 32 LYS C C 173.80 0.30 1 216 536 32 LYS CA C 52.60 0.30 1 217 536 32 LYS CB C 34.50 0.30 1 218 536 32 LYS N N 128.10 0.30 1 219 537 33 ILE H H 8.99 0.02 1 220 537 33 ILE HA H 4.78 0.02 1 221 537 33 ILE HB H 1.81 0.02 1 222 537 33 ILE C C 174.70 0.30 1 223 537 33 ILE CA C 60.10 0.30 1 224 537 33 ILE CB C 38.90 0.30 1 225 537 33 ILE N N 125.40 0.30 1 226 538 34 PHE H H 9.06 0.02 1 227 538 34 PHE HA H 5.51 0.02 1 228 538 34 PHE HB2 H 2.83 0.02 2 229 538 34 PHE HB3 H 2.63 0.02 2 230 538 34 PHE C C 174.70 0.30 1 231 538 34 PHE CA C 54.40 0.30 1 232 538 34 PHE CB C 42.00 0.30 1 233 538 34 PHE N N 123.30 0.30 1 234 539 35 GLN H H 9.89 0.02 1 235 539 35 GLN HA H 4.81 0.02 1 236 539 35 GLN HB2 H 2.30 0.02 2 237 539 35 GLN HB3 H 1.92 0.02 2 238 539 35 GLN C C 174.60 0.30 1 239 539 35 GLN CA C 55.30 0.30 1 240 539 35 GLN CB C 32.50 0.30 1 241 539 35 GLN N N 124.00 0.30 1 242 540 36 ILE H H 7.78 0.02 1 243 540 36 ILE HA H 3.96 0.02 1 244 540 36 ILE HB H 1.55 0.02 1 245 540 36 ILE C C 176.00 0.30 1 246 540 36 ILE CA C 60.80 0.30 1 247 540 36 ILE CB C 36.10 0.30 1 248 540 36 ILE N N 126.90 0.30 1 249 557 53 LYS HA H 4.16 0.02 1 250 557 53 LYS C C 176.80 0.30 1 251 557 53 LYS CA C 56.90 0.30 1 252 557 53 LYS CB C 32.60 0.30 1 253 558 54 ARG HA H 4.19 0.02 1 254 558 54 ARG HB2 H 1.74 0.02 2 255 558 54 ARG HB3 H 1.69 0.02 2 256 558 54 ARG CA C 56.90 0.30 1 257 558 54 ARG CB C 30.30 0.30 1 258 559 55 LYS H H 8.45 0.02 1 259 559 55 LYS HA H 4.43 0.02 1 260 559 55 LYS HB2 H 1.92 0.02 2 261 559 55 LYS HB3 H 1.84 0.02 2 262 559 55 LYS C C 176.90 0.30 1 263 559 55 LYS CA C 56.20 0.30 1 264 559 55 LYS CB C 33.10 0.30 1 265 560 56 THR H H 8.11 0.02 1 266 560 56 THR HA H 4.39 0.02 1 267 560 56 THR HB H 4.27 0.02 1 268 560 56 THR C C 175.20 0.30 1 269 560 56 THR CA C 62.00 0.30 1 270 560 56 THR CB C 69.80 0.30 1 271 560 56 THR N N 113.30 0.30 1 272 561 57 GLY H H 8.39 0.02 1 273 561 57 GLY HA2 H 4.07 0.02 2 274 561 57 GLY HA3 H 4.01 0.02 2 275 561 57 GLY C C 174.70 0.30 1 276 561 57 GLY CA C 45.40 0.30 1 277 561 57 GLY N N 110.80 0.30 1 278 562 58 VAL H H 8.07 0.02 1 279 562 58 VAL HA H 4.16 0.02 1 280 562 58 VAL HB H 2.14 0.02 1 281 562 58 VAL C C 176.50 0.30 1 282 562 58 VAL CA C 62.60 0.30 1 283 562 58 VAL CB C 32.50 0.30 1 284 562 58 VAL N N 118.90 0.30 1 285 563 59 ASN H H 8.67 0.02 1 286 563 59 ASN HA H 4.78 0.02 1 287 563 59 ASN HB2 H 2.93 0.02 2 288 563 59 ASN HB3 H 2.82 0.02 2 289 563 59 ASN C C 175.90 0.30 1 290 563 59 ASN CA C 53.60 0.30 1 291 563 59 ASN CB C 38.80 0.30 1 292 563 59 ASN N N 121.50 0.30 1 293 635 60 GLY H H 8.46 0.02 1 294 635 60 GLY HA2 H 4.09 0.02 2 295 635 60 GLY HA3 H 3.98 0.02 2 296 635 60 GLY C C 174.70 0.30 1 297 635 60 GLY CA C 45.50 0.30 1 298 635 60 GLY N N 109.60 0.30 1 299 636 61 SER H H 8.26 0.02 1 300 636 61 SER HA H 4.50 0.02 1 301 636 61 SER HB2 H 3.96 0.02 2 302 636 61 SER HB3 H 3.92 0.02 2 303 636 61 SER C C 174.70 0.30 1 304 636 61 SER CA C 58.80 0.30 1 305 636 61 SER CB C 63.90 0.30 1 306 636 61 SER N N 115.60 0.30 1 307 637 62 GLU H H 8.55 0.02 1 308 637 62 GLU HA H 4.34 0.02 1 309 637 62 GLU HB2 H 2.09 0.02 2 310 637 62 GLU HB3 H 1.96 0.02 2 311 637 62 GLU C C 176.20 0.30 1 312 637 62 GLU CA C 56.70 0.30 1 313 637 62 GLU CB C 30.10 0.30 1 314 637 62 GLU N N 121.90 0.30 1 315 638 63 ASN H H 8.52 0.02 1 316 638 63 ASN HA H 4.70 0.02 1 317 638 63 ASN HB2 H 2.86 0.02 2 318 638 63 ASN HB3 H 2.78 0.02 2 319 638 63 ASN C C 174.50 0.30 1 320 638 63 ASN CA C 53.30 0.30 1 321 638 63 ASN CB C 38.60 0.30 1 322 638 63 ASN N N 119.40 0.30 1 323 639 64 ILE H H 7.96 0.02 1 324 639 64 ILE HA H 3.93 0.02 1 325 639 64 ILE HB H 1.81 0.02 1 326 639 64 ILE C C 175.10 0.30 1 327 639 64 ILE CA C 59.20 0.30 1 328 639 64 ILE CB C 38.60 0.30 1 329 639 64 ILE N N 121.20 0.30 1 330 640 65 HIS H H 9.13 0.02 1 331 640 65 HIS HA H 5.10 0.02 1 332 640 65 HIS HB2 H 3.25 0.02 2 333 640 65 HIS HB3 H 3.08 0.02 2 334 640 65 HIS C C 176.30 0.30 1 335 640 65 HIS CA C 55.30 0.30 1 336 640 65 HIS CB C 32.50 0.30 1 337 640 65 HIS N N 121.70 0.30 1 338 641 66 THR H H 7.39 0.02 1 339 641 66 THR HA H 5.17 0.02 1 340 641 66 THR HB H 3.73 0.02 1 341 641 66 THR C C 171.50 0.30 1 342 641 66 THR CA C 62.20 0.30 1 343 641 66 THR CB C 73.60 0.30 1 344 641 66 THR N N 119.60 0.30 1 345 642 67 VAL H H 9.11 0.02 1 346 642 67 VAL HA H 4.67 0.02 1 347 642 67 VAL HB H 1.50 0.02 1 348 642 67 VAL C C 174.00 0.30 1 349 642 67 VAL CA C 60.10 0.30 1 350 642 67 VAL CB C 34.20 0.30 1 351 642 67 VAL N N 127.50 0.30 1 352 643 68 ILE H H 9.29 0.02 1 353 643 68 ILE HA H 4.70 0.02 1 354 643 68 ILE HB H 1.56 0.02 1 355 643 68 ILE C C 174.10 0.30 1 356 643 68 ILE CA C 59.80 0.30 1 357 643 68 ILE CB C 40.00 0.30 1 358 643 68 ILE N N 126.40 0.30 1 359 644 69 LEU H H 9.10 0.02 1 360 644 69 LEU HA H 5.31 0.02 1 361 644 69 LEU HB2 H 2.20 0.02 2 362 644 69 LEU HB3 H 1.14 0.02 2 363 644 69 LEU C C 175.00 0.30 1 364 644 69 LEU CA C 52.40 0.30 1 365 644 69 LEU CB C 43.30 0.30 1 366 644 69 LEU N N 126.00 0.30 1 367 645 70 ASP H H 9.22 0.02 1 368 645 70 ASP HA H 5.28 0.02 1 369 645 70 ASP HB2 H 2.71 0.02 2 370 645 70 ASP HB3 H 2.26 0.02 2 371 645 70 ASP C C 177.50 0.30 1 372 645 70 ASP CA C 53.60 0.30 1 373 645 70 ASP CB C 43.20 0.30 1 374 645 70 ASP N N 122.80 0.30 1 375 646 71 PHE H H 9.75 0.02 1 376 646 71 PHE HA H 4.53 0.02 1 377 646 71 PHE HB2 H 3.53 0.02 2 378 646 71 PHE HB3 H 2.97 0.02 2 379 646 71 PHE C C 177.50 0.30 1 380 646 71 PHE CA C 58.40 0.30 1 381 646 71 PHE CB C 40.40 0.30 1 382 646 71 PHE N N 128.40 0.30 1 383 647 72 THR H H 8.90 0.02 1 384 647 72 THR HA H 4.15 0.02 1 385 647 72 THR HB H 4.22 0.02 1 386 647 72 THR C C 176.70 0.30 1 387 647 72 THR CA C 68.00 0.30 1 388 647 72 THR CB C 69.30 0.30 1 389 647 72 THR N N 119.80 0.30 1 390 648 73 GLN H H 9.76 0.02 1 391 648 73 GLN HA H 4.37 0.02 1 392 648 73 GLN HB2 H 2.38 0.02 2 393 648 73 GLN HB3 H 1.96 0.02 2 394 648 73 GLN C C 175.60 0.30 1 395 648 73 GLN CA C 55.10 0.30 1 396 648 73 GLN CB C 28.10 0.30 1 397 648 73 GLN N N 117.50 0.30 1 398 655 80 VAL H H 7.71 0.02 1 399 655 80 VAL HA H 3.77 0.02 1 400 655 80 VAL HB H 2.13 0.02 1 401 655 80 VAL C C 179.80 0.30 1 402 655 80 VAL CA C 66.00 0.30 1 403 655 80 VAL CB C 31.50 0.30 1 404 655 80 VAL N N 122.90 0.30 1 405 656 81 GLY H H 8.65 0.02 1 406 656 81 GLY HA2 H 4.04 0.02 2 407 656 81 GLY HA3 H 3.86 0.02 2 408 656 81 GLY C C 174.70 0.30 1 409 656 81 GLY CA C 47.50 0.30 1 410 656 81 GLY N N 113.60 0.30 1 411 657 82 VAL H H 8.68 0.02 1 412 657 82 VAL HA H 3.42 0.02 1 413 657 82 VAL HB H 2.08 0.02 1 414 657 82 VAL C C 177.30 0.30 1 415 657 82 VAL CA C 67.90 0.30 1 416 657 82 VAL CB C 31.20 0.30 1 417 657 82 VAL N N 121.60 0.30 1 418 658 83 LYS H H 8.01 0.02 1 419 658 83 LYS HA H 4.15 0.02 1 420 658 83 LYS C C 180.60 0.30 1 421 658 83 LYS CA C 59.60 0.30 1 422 658 83 LYS CB C 32.20 0.30 1 423 658 83 LYS N N 120.30 0.30 1 424 659 84 THR H H 8.50 0.02 1 425 659 84 THR HA H 3.98 0.02 1 426 659 84 THR HB H 4.46 0.02 1 427 659 84 THR C C 177.10 0.30 1 428 659 84 THR CA C 66.70 0.30 1 429 659 84 THR CB C 68.30 0.30 1 430 659 84 THR N N 118.10 0.30 1 431 660 85 LEU H H 8.48 0.02 1 432 660 85 LEU HA H 4.13 0.02 1 433 660 85 LEU HB2 H 2.06 0.02 2 434 660 85 LEU HB3 H 1.42 0.02 2 435 660 85 LEU C C 178.10 0.30 1 436 660 85 LEU CA C 58.00 0.30 1 437 660 85 LEU CB C 41.80 0.30 1 438 660 85 LEU N N 124.40 0.30 1 439 661 86 ALA H H 9.03 0.02 1 440 661 86 ALA HA H 4.06 0.02 1 441 661 86 ALA HB H 1.60 0.02 1 442 661 86 ALA C C 181.00 0.30 1 443 661 86 ALA CA C 55.70 0.30 1 444 661 86 ALA CB C 17.80 0.30 1 445 661 86 ALA N N 121.20 0.30 1 446 662 87 GLY H H 8.02 0.02 1 447 662 87 GLY HA2 H 4.08 0.02 2 448 662 87 GLY HA3 H 4.00 0.02 2 449 662 87 GLY C C 176.10 0.30 1 450 662 87 GLY CA C 47.20 0.30 1 451 662 87 GLY N N 106.20 0.30 1 452 663 88 ILE H H 8.07 0.02 1 453 663 88 ILE HA H 3.90 0.02 1 454 663 88 ILE HB H 2.19 0.02 1 455 663 88 ILE C C 177.90 0.30 1 456 663 88 ILE CA C 65.00 0.30 1 457 663 88 ILE CB C 38.50 0.30 1 458 663 88 ILE N N 124.50 0.30 1 459 664 89 VAL H H 8.44 0.02 1 460 664 89 VAL HA H 3.62 0.02 1 461 664 89 VAL HB H 2.28 0.02 1 462 664 89 VAL C C 179.50 0.30 1 463 664 89 VAL CA C 67.30 0.30 1 464 664 89 VAL CB C 31.70 0.30 1 465 664 89 VAL N N 118.60 0.30 1 466 665 90 LYS H H 7.94 0.02 1 467 665 90 LYS HA H 4.15 0.02 1 468 665 90 LYS HB2 H 2.07 0.02 2 469 665 90 LYS HB3 H 1.95 0.02 2 470 665 90 LYS C C 177.90 0.30 1 471 665 90 LYS CA C 59.50 0.30 1 472 665 90 LYS CB C 32.70 0.30 1 473 665 90 LYS N N 120.80 0.30 1 474 666 91 GLU H H 8.47 0.02 1 475 666 91 GLU HA H 4.03 0.02 1 476 666 91 GLU HB2 H 2.08 0.02 2 477 666 91 GLU HB3 H 1.97 0.02 2 478 666 91 GLU C C 180.50 0.30 1 479 666 91 GLU CA C 59.60 0.30 1 480 666 91 GLU CB C 29.40 0.30 1 481 666 91 GLU N N 119.60 0.30 1 482 667 92 TYR H H 8.13 0.02 1 483 667 92 TYR HA H 4.21 0.02 1 484 667 92 TYR HB2 H 2.96 0.02 2 485 667 92 TYR HB3 H 2.79 0.02 2 486 667 92 TYR C C 179.00 0.30 1 487 667 92 TYR CA C 62.10 0.30 1 488 667 92 TYR CB C 36.40 0.30 1 489 667 92 TYR N N 117.00 0.30 1 490 668 93 GLY H H 8.36 0.02 1 491 668 93 GLY HA2 H 3.96 0.02 2 492 668 93 GLY HA3 H 3.82 0.02 2 493 668 93 GLY C C 178.30 0.30 1 494 668 93 GLY CA C 47.50 0.30 1 495 668 93 GLY N N 110.10 0.30 1 496 669 94 ASP H H 8.51 0.02 1 497 669 94 ASP HA H 4.54 0.02 1 498 669 94 ASP HB2 H 2.89 0.02 2 499 669 94 ASP HB3 H 2.71 0.02 2 500 669 94 ASP C C 178.30 0.30 1 501 669 94 ASP CA C 56.70 0.30 1 502 669 94 ASP CB C 40.40 0.30 1 503 669 94 ASP N N 122.40 0.30 1 504 670 95 VAL H H 7.39 0.02 1 505 670 95 VAL HA H 4.70 0.02 1 506 670 95 VAL HB H 2.60 0.02 1 507 670 95 VAL C C 176.20 0.30 1 508 670 95 VAL CA C 60.20 0.30 1 509 670 95 VAL CB C 31.00 0.30 1 510 670 95 VAL N N 110.50 0.30 1 511 671 96 GLY H H 7.86 0.02 1 512 671 96 GLY HA2 H 4.13 0.02 2 513 671 96 GLY HA3 H 3.73 0.02 2 514 671 96 GLY C C 174.10 0.30 1 515 671 96 GLY CA C 46.10 0.30 1 516 671 96 GLY N N 109.10 0.30 1 517 672 97 ILE H H 8.11 0.02 1 518 672 97 ILE HA H 4.16 0.02 1 519 672 97 ILE HB H 1.67 0.02 1 520 672 97 ILE C C 175.40 0.30 1 521 672 97 ILE CA C 60.80 0.30 1 522 672 97 ILE CB C 39.40 0.30 1 523 672 97 ILE N N 122.20 0.30 1 524 673 98 TYR H H 8.05 0.02 1 525 673 98 TYR HA H 4.01 0.02 1 526 673 98 TYR HB2 H 2.69 0.02 2 527 673 98 TYR HB3 H 2.46 0.02 2 528 673 98 TYR C C 173.90 0.30 1 529 673 98 TYR CA C 59.20 0.30 1 530 673 98 TYR CB C 39.90 0.30 1 531 673 98 TYR N N 127.40 0.30 1 532 674 99 VAL H H 7.73 0.02 1 533 674 99 VAL HA H 5.09 0.02 1 534 674 99 VAL HB H 1.99 0.02 1 535 674 99 VAL C C 174.00 0.30 1 536 674 99 VAL CA C 60.30 0.30 1 537 674 99 VAL CB C 33.20 0.30 1 538 674 99 VAL N N 122.30 0.30 1 539 675 100 TYR H H 8.96 0.02 1 540 675 100 TYR HA H 5.83 0.02 1 541 675 100 TYR HB2 H 3.20 0.02 2 542 675 100 TYR HB3 H 2.77 0.02 2 543 675 100 TYR C C 175.10 0.30 1 544 675 100 TYR CA C 52.10 0.30 1 545 675 100 TYR CB C 40.80 0.30 1 546 675 100 TYR N N 122.70 0.30 1 547 676 101 LEU H H 9.28 0.02 1 548 676 101 LEU HA H 5.27 0.02 1 549 676 101 LEU HB2 H 1.88 0.02 2 550 676 101 LEU HB3 H 1.14 0.02 2 551 676 101 LEU C C 175.30 0.30 1 552 676 101 LEU CA C 53.60 0.30 1 553 676 101 LEU CB C 42.60 0.30 1 554 676 101 LEU N N 121.70 0.30 1 555 677 102 ALA H H 9.43 0.02 1 556 677 102 ALA HA H 5.46 0.02 1 557 677 102 ALA HB H 1.01 0.02 1 558 677 102 ALA C C 177.20 0.30 1 559 677 102 ALA CA C 49.40 0.30 1 560 677 102 ALA CB C 21.40 0.30 1 561 677 102 ALA N N 125.50 0.30 1 562 678 103 GLY H H 7.82 0.02 1 563 678 103 GLY HA2 H 4.01 0.02 2 564 678 103 GLY HA3 H 3.83 0.02 2 565 678 103 GLY CA C 47.30 0.30 1 566 678 103 GLY N N 107.40 0.30 1 567 679 104 CYS H H 8.74 0.02 1 568 679 104 CYS HA H 4.13 0.02 1 569 679 104 CYS HB2 H 2.70 0.02 2 570 679 104 CYS HB3 H 2.45 0.02 2 571 679 104 CYS C C 176.10 0.30 1 572 679 104 CYS CA C 60.10 0.30 1 573 679 104 CYS CB C 27.90 0.30 1 574 679 104 CYS N N 117.80 0.30 1 575 680 105 SER H H 9.71 0.02 1 576 680 105 SER HA H 4.45 0.02 1 577 680 105 SER HB2 H 4.46 0.02 2 578 680 105 SER HB3 H 4.32 0.02 2 579 680 105 SER C C 174.20 0.30 1 580 680 105 SER CA C 56.80 0.30 1 581 680 105 SER CB C 65.20 0.30 1 582 680 105 SER N N 123.90 0.30 1 583 681 106 ALA H H 8.96 0.02 1 584 681 106 ALA HA H 4.04 0.02 1 585 681 106 ALA HB H 1.48 0.02 1 586 681 106 ALA C C 180.70 0.30 1 587 681 106 ALA CA C 55.50 0.30 1 588 681 106 ALA CB C 17.60 0.30 1 589 681 106 ALA N N 122.80 0.30 1 590 682 107 GLN H H 8.38 0.02 1 591 682 107 GLN HA H 4.03 0.02 1 592 682 107 GLN HB2 H 2.31 0.02 2 593 682 107 GLN HB3 H 2.12 0.02 2 594 682 107 GLN C C 177.70 0.30 1 595 682 107 GLN CA C 58.80 0.30 1 596 682 107 GLN CB C 28.40 0.30 1 597 682 107 GLN N N 117.30 0.30 1 598 683 108 VAL H H 7.53 0.02 1 599 683 108 VAL HA H 3.75 0.02 1 600 683 108 VAL HB H 2.11 0.02 1 601 683 108 VAL C C 178.40 0.30 1 602 683 108 VAL CA C 67.00 0.30 1 603 683 108 VAL CB C 31.30 0.30 1 604 683 108 VAL N N 121.10 0.30 1 605 684 109 VAL H H 8.77 0.02 1 606 684 109 VAL HA H 3.57 0.02 1 607 684 109 VAL HB H 2.13 0.02 1 608 684 109 VAL C C 180.00 0.30 1 609 684 109 VAL CA C 68.20 0.30 1 610 684 109 VAL CB C 31.10 0.30 1 611 684 109 VAL N N 120.20 0.30 1 612 685 110 ASN H H 8.41 0.02 1 613 685 110 ASN HA H 4.56 0.02 1 614 685 110 ASN HB2 H 3.09 0.02 2 615 685 110 ASN HB3 H 3.04 0.02 2 616 685 110 ASN C C 177.80 0.30 1 617 685 110 ASN CA C 56.90 0.30 1 618 685 110 ASN CB C 37.80 0.30 1 619 685 110 ASN N N 123.10 0.30 1 620 686 111 ASP H H 8.88 0.02 1 621 686 111 ASP HA H 4.46 0.02 1 622 686 111 ASP C C 180.00 0.30 1 623 686 111 ASP CA C 58.30 0.30 1 624 686 111 ASP CB C 40.80 0.30 1 625 686 111 ASP N N 125.70 0.30 1 626 687 112 LEU H H 8.96 0.02 1 627 687 112 LEU HA H 3.80 0.02 1 628 687 112 LEU HB2 H 2.09 0.02 2 629 687 112 LEU HB3 H 0.80 0.02 2 630 687 112 LEU C C 179.20 0.30 1 631 687 112 LEU CA C 58.50 0.30 1 632 687 112 LEU CB C 41.90 0.30 1 633 687 112 LEU N N 121.70 0.30 1 634 688 113 THR H H 8.71 0.02 1 635 688 113 THR HA H 4.29 0.02 1 636 688 113 THR HB H 4.59 0.02 1 637 688 113 THR C C 179.50 0.30 1 638 688 113 THR CA C 66.70 0.30 1 639 688 113 THR CB C 69.00 0.30 1 640 688 113 THR N N 117.00 0.30 1 641 689 114 SER H H 9.30 0.02 1 642 689 114 SER HA H 4.34 0.02 1 643 689 114 SER HB2 H 4.09 0.02 2 644 689 114 SER HB3 H 4.04 0.02 2 645 689 114 SER C C 174.70 0.30 1 646 689 114 SER CA C 61.30 0.30 1 647 689 114 SER CB C 62.90 0.30 1 648 689 114 SER N N 119.60 0.30 1 649 690 115 ASN H H 7.29 0.02 1 650 690 115 ASN HA H 5.00 0.02 1 651 690 115 ASN HB2 H 3.10 0.02 2 652 690 115 ASN HB3 H 2.69 0.02 2 653 690 115 ASN C C 172.80 0.30 1 654 690 115 ASN CA C 53.90 0.30 1 655 690 115 ASN CB C 39.60 0.30 1 656 690 115 ASN N N 116.80 0.30 1 657 691 116 ARG H H 7.82 0.02 1 658 691 116 ARG HA H 4.22 0.02 1 659 691 116 ARG HB2 H 2.16 0.02 2 660 691 116 ARG HB3 H 2.12 0.02 2 661 691 116 ARG C C 176.80 0.30 1 662 691 116 ARG CA C 58.00 0.30 1 663 691 116 ARG CB C 26.10 0.30 1 664 691 116 ARG N N 109.10 0.30 1 665 692 117 PHE H H 8.39 0.02 1 666 692 117 PHE HA H 3.94 0.02 1 667 692 117 PHE HB2 H 2.74 0.02 2 668 692 117 PHE HB3 H 1.78 0.02 2 669 692 117 PHE C C 175.90 0.30 1 670 692 117 PHE CA C 61.30 0.30 1 671 692 117 PHE CB C 41.40 0.30 1 672 692 117 PHE N N 119.90 0.30 1 673 693 118 PHE H H 7.98 0.02 1 674 693 118 PHE HA H 4.67 0.02 1 675 693 118 PHE HB2 H 3.43 0.02 2 676 693 118 PHE HB3 H 2.89 0.02 2 677 693 118 PHE C C 175.30 0.30 1 678 693 118 PHE CA C 55.70 0.30 1 679 693 118 PHE CB C 37.60 0.30 1 680 693 118 PHE N N 109.80 0.30 1 681 694 119 GLU H H 7.14 0.02 1 682 694 119 GLU HA H 3.96 0.02 1 683 694 119 GLU HB2 H 2.09 0.02 2 684 694 119 GLU HB3 H 2.05 0.02 2 685 694 119 GLU C C 177.90 0.30 1 686 694 119 GLU CA C 59.20 0.30 1 687 694 119 GLU CB C 29.40 0.30 1 688 694 119 GLU N N 120.60 0.30 1 689 695 120 ASN H H 7.64 0.02 1 690 695 120 ASN HA H 5.12 0.02 1 691 695 120 ASN HB2 H 3.06 0.02 2 692 695 120 ASN HB3 H 2.81 0.02 2 693 695 120 ASN C C 175.10 0.30 1 694 695 120 ASN CA C 49.50 0.30 1 695 695 120 ASN CB C 38.20 0.30 1 696 695 120 ASN N N 115.20 0.30 1 697 696 121 PRO HA H 4.32 0.02 1 698 696 121 PRO HB2 H 2.43 0.02 2 699 696 121 PRO HB3 H 2.08 0.02 2 700 696 121 PRO C C 178.90 0.30 1 701 696 121 PRO CA C 64.40 0.30 1 702 696 121 PRO CB C 31.90 0.30 1 703 697 122 ALA H H 7.91 0.02 1 704 697 122 ALA HA H 4.26 0.02 1 705 697 122 ALA HB H 1.45 0.02 1 706 697 122 ALA C C 180.40 0.30 1 707 697 122 ALA CA C 54.20 0.30 1 708 697 122 ALA CB C 18.10 0.30 1 709 697 122 ALA N N 121.70 0.30 1 710 698 123 LEU H H 7.91 0.02 1 711 698 123 LEU HA H 4.27 0.02 1 712 698 123 LEU HB2 H 1.87 0.02 2 713 698 123 LEU HB3 H 1.65 0.02 2 714 698 123 LEU C C 178.80 0.30 1 715 698 123 LEU CA C 57.00 0.30 1 716 698 123 LEU CB C 40.40 0.30 1 717 698 123 LEU N N 117.70 0.30 1 718 699 124 LYS H H 7.77 0.02 1 719 699 124 LYS HA H 3.97 0.02 1 720 699 124 LYS C C 178.60 0.30 1 721 699 124 LYS CA C 59.00 0.30 1 722 699 124 LYS CB C 32.10 0.30 1 723 699 124 LYS N N 117.90 0.30 1 724 700 125 GLU H H 7.54 0.02 1 725 700 125 GLU HA H 4.18 0.02 1 726 700 125 GLU HB2 H 2.29 0.02 2 727 700 125 GLU HB3 H 2.01 0.02 2 728 700 125 GLU C C 176.50 0.30 1 729 700 125 GLU CA C 56.60 0.30 1 730 700 125 GLU CB C 28.80 0.30 1 731 700 125 GLU N N 115.10 0.30 1 732 701 126 LEU H H 7.52 0.02 1 733 701 126 LEU HA H 4.56 0.02 1 734 701 126 LEU HB2 H 2.55 0.02 2 735 701 126 LEU HB3 H 2.20 0.02 2 736 701 126 LEU C C 175.70 0.30 1 737 701 126 LEU CA C 55.00 0.30 1 738 701 126 LEU CB C 40.80 0.30 1 739 701 126 LEU N N 116.40 0.30 1 740 702 127 LEU H H 6.83 0.02 1 741 702 127 LEU HA H 5.02 0.02 1 742 702 127 LEU C C 176.50 0.30 1 743 702 127 LEU CA C 55.40 0.30 1 744 702 127 LEU CB C 42.70 0.30 1 745 702 127 LEU N N 118.20 0.30 1 746 703 128 PHE H H 9.05 0.02 1 747 703 128 PHE HA H 4.65 0.02 1 748 703 128 PHE HB2 H 3.14 0.02 2 749 703 128 PHE HB3 H 2.57 0.02 2 750 703 128 PHE C C 177.10 0.30 1 751 703 128 PHE CA C 56.60 0.30 1 752 703 128 PHE CB C 44.00 0.30 1 753 703 128 PHE N N 121.10 0.30 1 754 704 129 HIS H H 10.00 0.02 1 755 704 129 HIS HA H 4.57 0.02 1 756 704 129 HIS HB2 H 3.44 0.02 2 757 704 129 HIS HB3 H 3.37 0.02 2 758 704 129 HIS C C 175.10 0.30 1 759 704 129 HIS CA C 58.90 0.30 1 760 704 129 HIS CB C 29.40 0.30 1 761 704 129 HIS N N 121.70 0.30 1 762 705 130 SER H H 7.84 0.02 1 763 705 130 SER HA H 4.94 0.02 1 764 705 130 SER HB2 H 4.33 0.02 2 765 705 130 SER HB3 H 3.92 0.02 2 766 705 130 SER C C 174.60 0.30 1 767 705 130 SER CA C 55.80 0.30 1 768 705 130 SER CB C 67.60 0.30 1 769 705 130 SER N N 109.00 0.30 1 770 706 131 ILE H H 8.70 0.02 1 771 706 131 ILE HA H 3.09 0.02 1 772 706 131 ILE HB H 1.35 0.02 1 773 706 131 ILE C C 177.50 0.30 1 774 706 131 ILE CA C 66.00 0.30 1 775 706 131 ILE CB C 38.60 0.30 1 776 706 131 ILE N N 121.80 0.30 1 777 707 132 HIS H H 8.69 0.02 1 778 707 132 HIS HA H 4.25 0.02 1 779 707 132 HIS HB2 H 3.51 0.02 2 780 707 132 HIS HB3 H 3.21 0.02 2 781 707 132 HIS C C 177.10 0.30 1 782 707 132 HIS CA C 60.00 0.30 1 783 707 132 HIS CB C 30.60 0.30 1 784 707 132 HIS N N 118.00 0.30 1 785 708 133 ASP H H 7.78 0.02 1 786 708 133 ASP HA H 4.29 0.02 1 787 708 133 ASP HB2 H 3.09 0.02 2 788 708 133 ASP HB3 H 2.96 0.02 2 789 708 133 ASP C C 178.60 0.30 1 790 708 133 ASP CA C 57.40 0.30 1 791 708 133 ASP CB C 41.60 0.30 1 792 708 133 ASP N N 115.60 0.30 1 793 709 134 ALA H H 7.47 0.02 1 794 709 134 ALA HA H 2.42 0.02 1 795 709 134 ALA HB H 1.06 0.02 1 796 709 134 ALA C C 178.50 0.30 1 797 709 134 ALA CA C 54.00 0.30 1 798 709 134 ALA CB C 18.40 0.30 1 799 709 134 ALA N N 124.00 0.30 1 800 710 135 VAL H H 8.51 0.02 1 801 710 135 VAL HA H 3.21 0.02 1 802 710 135 VAL HB H 2.07 0.02 1 803 710 135 VAL C C 179.50 0.30 1 804 710 135 VAL CA C 67.20 0.30 1 805 710 135 VAL CB C 31.60 0.30 1 806 710 135 VAL N N 122.20 0.30 1 807 711 136 LEU H H 8.18 0.02 1 808 711 136 LEU HA H 3.98 0.02 1 809 711 136 LEU HB2 H 1.65 0.02 2 810 711 136 LEU HB3 H 1.47 0.02 2 811 711 136 LEU C C 180.30 0.30 1 812 711 136 LEU CA C 58.00 0.30 1 813 711 136 LEU CB C 40.90 0.30 1 814 711 136 LEU N N 120.30 0.30 1 815 712 137 GLY H H 8.23 0.02 1 816 712 137 GLY HA2 H 3.87 0.02 2 817 712 137 GLY HA3 H 3.52 0.02 2 818 712 137 GLY C C 176.80 0.30 1 819 712 137 GLY CA C 46.80 0.30 1 820 712 137 GLY N N 106.50 0.30 1 821 713 138 SER H H 8.28 0.02 1 822 713 138 SER HA H 4.25 0.02 1 823 713 138 SER HB2 H 4.10 0.02 2 824 713 138 SER HB3 H 4.06 0.02 2 825 713 138 SER C C 175.40 0.30 1 826 713 138 SER CA C 61.60 0.30 1 827 713 138 SER CB C 63.40 0.30 1 828 713 138 SER N N 119.10 0.30 1 829 714 139 GLN H H 7.79 0.02 1 830 714 139 GLN HA H 4.08 0.02 1 831 714 139 GLN HB2 H 2.32 0.02 2 832 714 139 GLN HB3 H 2.05 0.02 2 833 714 139 GLN C C 179.70 0.30 1 834 714 139 GLN CA C 58.50 0.30 1 835 714 139 GLN CB C 28.10 0.30 1 836 714 139 GLN N N 121.20 0.30 1 837 715 140 VAL H H 8.18 0.02 1 838 715 140 VAL HA H 3.85 0.02 1 839 715 140 VAL HB H 2.17 0.02 1 840 715 140 VAL C C 177.80 0.30 1 841 715 140 VAL CA C 65.30 0.30 1 842 715 140 VAL CB C 31.90 0.30 1 843 715 140 VAL N N 120.20 0.30 1 844 716 141 ARG H H 7.75 0.02 1 845 716 141 ARG HA H 3.96 0.02 1 846 716 141 ARG HB2 H 1.88 0.02 2 847 716 141 ARG HB3 H 1.81 0.02 2 848 716 141 ARG C C 179.20 0.30 1 849 716 141 ARG CA C 58.80 0.30 1 850 716 141 ARG CB C 29.80 0.30 1 851 716 141 ARG N N 121.30 0.30 1 852 717 142 GLU H H 7.99 0.02 1 853 717 142 GLU HA H 3.98 0.02 1 854 717 142 GLU HB2 H 1.99 0.02 2 855 717 142 GLU HB3 H 1.81 0.02 2 856 717 142 GLU C C 178.00 0.30 1 857 717 142 GLU CA C 57.80 0.30 1 858 717 142 GLU CB C 29.80 0.30 1 859 717 142 GLU N N 118.00 0.30 1 860 718 143 ALA H H 7.86 0.02 1 861 718 143 ALA HA H 4.25 0.02 1 862 718 143 ALA HB H 1.49 0.02 1 863 718 143 ALA C C 179.50 0.30 1 864 718 143 ALA CA C 53.90 0.30 1 865 718 143 ALA CB C 18.40 0.30 1 866 718 143 ALA N N 122.10 0.30 1 867 719 144 MET H H 8.04 0.02 1 868 719 144 MET HA H 4.36 0.02 1 869 719 144 MET C C 177.20 0.30 1 870 719 144 MET CA C 56.50 0.30 1 871 719 144 MET CB C 32.50 0.30 1 872 719 144 MET N N 117.60 0.30 1 873 720 145 ALA H H 7.88 0.02 1 874 720 145 ALA HA H 4.30 0.02 1 875 720 145 ALA HB H 1.47 0.02 1 876 720 145 ALA C C 178.60 0.30 1 877 720 145 ALA CA C 53.30 0.30 1 878 720 145 ALA CB C 18.90 0.30 1 879 720 145 ALA N N 123.40 0.30 1 880 721 146 GLU H H 8.13 0.02 1 881 721 146 GLU HA H 4.26 0.02 1 882 721 146 GLU HB2 H 2.11 0.02 2 883 721 146 GLU HB3 H 2.02 0.02 2 884 721 146 GLU C C 177.10 0.30 1 885 721 146 GLU CA C 56.90 0.30 1 886 721 146 GLU CB C 30.00 0.30 1 887 721 146 GLU N N 119.10 0.30 1 888 722 147 GLN H H 8.18 0.02 1 889 722 147 GLN HA H 4.35 0.02 1 890 722 147 GLN HB2 H 2.18 0.02 2 891 722 147 GLN HB3 H 2.06 0.02 2 892 722 147 GLN C C 176.30 0.30 1 893 722 147 GLN CA C 56.00 0.30 1 894 722 147 GLN CB C 29.50 0.30 1 895 722 147 GLN N N 120.30 0.30 1 896 723 148 GLU H H 8.42 0.02 1 897 723 148 GLU HA H 4.37 0.02 1 898 723 148 GLU HB2 H 2.11 0.02 2 899 723 148 GLU HB3 H 2.02 0.02 2 900 723 148 GLU C C 176.90 0.30 1 901 723 148 GLU CA C 56.70 0.30 1 902 723 148 GLU CB C 30.30 0.30 1 903 723 148 GLU N N 121.90 0.30 1 904 724 149 THR H H 8.26 0.02 1 905 724 149 THR HA H 4.43 0.02 1 906 724 149 THR HB H 4.25 0.02 1 907 724 149 THR C C 174.70 0.30 1 908 724 149 THR CA C 61.90 0.30 1 909 724 149 THR CB C 69.80 0.30 1 910 724 149 THR N N 115.60 0.30 1 911 725 150 THR H H 8.26 0.02 1 912 725 150 THR HA H 4.39 0.02 1 913 725 150 THR HB H 4.19 0.02 1 914 725 150 THR C C 174.30 0.30 1 915 725 150 THR CA C 62.10 0.30 1 916 725 150 THR CB C 69.80 0.30 1 917 725 150 THR N N 118.20 0.30 1 918 726 151 VAL H H 8.26 0.02 1 919 726 151 VAL HA H 4.16 0.02 1 920 726 151 VAL HB H 2.10 0.02 1 921 726 151 VAL C C 175.20 0.30 1 922 726 151 VAL CA C 62.30 0.30 1 923 726 151 VAL CB C 32.70 0.30 1 924 726 151 VAL N N 124.30 0.30 1 925 727 152 LEU H H 7.96 0.02 1 926 727 152 LEU HA H 4.23 0.02 1 927 727 152 LEU C C 182.50 0.30 1 928 727 152 LEU CA C 56.60 0.30 1 929 727 152 LEU CB C 43.40 0.30 1 930 727 152 LEU N N 132.30 0.30 1 stop_ save_