data_26577 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Light-adapted Cyanobacteriochrome NpR6012g4 ; _BMRB_accession_number 26577 _BMRB_flat_file_name bmr26577.str _Entry_type original _Submission_date 2015-05-11 _Accession_date 2015-05-11 _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 Lim Sunghyuk . . 2 Rockwell Nathan C. . 3 Martin Shelley S. . 4 Lagarias 'J. Clark' . . 5 Ames James B. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 870 "13C chemical shifts" 643 "15N chemical shifts" 167 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-01-19 update author 'update assignment' 2016-07-12 update BMRB 'update entry citation' 2015-12-18 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 26582 'Dark-state Cyanobacteriochrome (NpR6012g4)' stop_ _Original_release_date 2015-12-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C, and 15N chemical shift assignments of cyanobacteriochrome NpR6012g4 in the green-absorbing photoproduct state ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26537963 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lim Sunghyuk . . 2 Rockwell Nathan C. . 3 Martin Shelley S. . 4 Lagarias 'J. Clark' . . 5 Ames James B. . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 10 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 157 _Page_last 161 _Year 2016 _Details . loop_ _Keyword CBCRs NMR PCB cyanobacteriochromes photoreceptors phycocyanobilin stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Cyanobacteriochrome GAF6012g4' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Cyanobacteriochrome NpR6012g4' $Cyanobacteriochrome_NpR6012g4 Phycocyanobilin $entity_CYC stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'Phycocyanobilin-attached Cyanobacteriochrome NpR6012g4' save_ ######################## # Monomeric polymers # ######################## save_Cyanobacteriochrome_NpR6012g4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Cyanobacteriochrome_NpR6012g4 _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 180 _Mol_residue_sequence ; MGEKAVTKISNRIRQSSDVE EIFKTTTQEVRQLLRCDRVA VYRFNPNWTGEFVAESVAHT WVKLVGPDIKTVWEDTHLQE TQGGRYAQGENFVVNDIYQV GHSPCHIEILEQFEVKAYVI VPVFAGEQLWGLLAAYQNSG TRDWDESEVTLLARIGNQLG LALQQTEYLQQVQGQSAKPG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 583 MET 2 584 GLY 3 585 GLU 4 586 LYS 5 587 ALA 6 588 VAL 7 589 THR 8 590 LYS 9 591 ILE 10 592 SER 11 593 ASN 12 594 ARG 13 595 ILE 14 596 ARG 15 597 GLN 16 598 SER 17 599 SER 18 600 ASP 19 601 VAL 20 602 GLU 21 603 GLU 22 604 ILE 23 605 PHE 24 606 LYS 25 607 THR 26 608 THR 27 609 THR 28 610 GLN 29 611 GLU 30 612 VAL 31 613 ARG 32 614 GLN 33 615 LEU 34 616 LEU 35 617 ARG 36 618 CYS 37 619 ASP 38 620 ARG 39 621 VAL 40 622 ALA 41 623 VAL 42 624 TYR 43 625 ARG 44 626 PHE 45 627 ASN 46 628 PRO 47 629 ASN 48 630 TRP 49 631 THR 50 632 GLY 51 633 GLU 52 634 PHE 53 635 VAL 54 636 ALA 55 637 GLU 56 638 SER 57 639 VAL 58 640 ALA 59 641 HIS 60 642 THR 61 643 TRP 62 644 VAL 63 645 LYS 64 646 LEU 65 647 VAL 66 648 GLY 67 649 PRO 68 650 ASP 69 651 ILE 70 652 LYS 71 653 THR 72 654 VAL 73 655 TRP 74 656 GLU 75 657 ASP 76 658 THR 77 659 HIS 78 660 LEU 79 661 GLN 80 662 GLU 81 663 THR 82 664 GLN 83 665 GLY 84 666 GLY 85 667 ARG 86 668 TYR 87 669 ALA 88 670 GLN 89 671 GLY 90 672 GLU 91 673 ASN 92 674 PHE 93 675 VAL 94 676 VAL 95 677 ASN 96 678 ASP 97 679 ILE 98 680 TYR 99 681 GLN 100 682 VAL 101 683 GLY 102 684 HIS 103 685 SER 104 686 PRO 105 687 CYS 106 688 HIS 107 689 ILE 108 690 GLU 109 691 ILE 110 692 LEU 111 693 GLU 112 694 GLN 113 695 PHE 114 696 GLU 115 697 VAL 116 698 LYS 117 699 ALA 118 700 TYR 119 701 VAL 120 702 ILE 121 703 VAL 122 704 PRO 123 705 VAL 124 706 PHE 125 707 ALA 126 708 GLY 127 709 GLU 128 710 GLN 129 711 LEU 130 712 TRP 131 713 GLY 132 714 LEU 133 715 LEU 134 716 ALA 135 717 ALA 136 718 TYR 137 719 GLN 138 720 ASN 139 721 SER 140 722 GLY 141 723 THR 142 724 ARG 143 725 ASP 144 726 TRP 145 727 ASP 146 728 GLU 147 729 SER 148 730 GLU 149 731 VAL 150 732 THR 151 733 LEU 152 734 LEU 153 735 ALA 154 736 ARG 155 737 ILE 156 738 GLY 157 739 ASN 158 740 GLN 159 741 LEU 160 742 GLY 161 743 LEU 162 744 ALA 163 745 LEU 164 746 GLN 165 747 GLN 166 748 THR 167 749 GLU 168 750 TYR 169 751 LEU 170 752 GLN 171 753 GLN 172 754 VAL 173 755 GLN 174 756 GLY 175 757 GLN 176 758 SER 177 759 ALA 178 760 LYS 179 761 PRO 180 762 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_CYC _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_CYC (PHYCOCYANOBILIN)" _BMRB_code CYC _PDB_code CYC _Molecular_mass 588.694 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CHA CHA C . 0 . ? NA NA N . 0 . ? C1A C1A C . 0 . ? C2A C2A C . 0 . ? C3A C3A C . 0 . ? C4A C4A C . 0 . ? CMA CMA C . 0 . ? CAA CAA C . 0 . ? CBA CBA C . 0 . ? CGA CGA C . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? CHB CHB C . 0 . ? NB NB N . 0 . ? C1B C1B C . 0 . ? C2B C2B C . 0 . ? C3B C3B C . 0 . ? C4B C4B C . 0 . ? CMB CMB C . 0 . ? CAB CAB C . 0 . ? CBB CBB C . 0 . ? OB OB O . 0 . ? NC NC N . 0 . ? C1C C1C C . 0 . ? C2C C2C C . 0 . ? C3C C3C C . 0 . ? C4C C4C C . 0 . ? CMC CMC C . 0 . ? CAC CAC C . 0 . ? CBC CBC C . 0 . ? OC OC O . 0 . ? CHD CHD C . 0 . ? ND ND N . 0 . ? C1D C1D C . 0 . ? C2D C2D C . 0 . ? C3D C3D C . 0 . ? C4D C4D C . 0 . ? CMD CMD C . 0 . ? CAD CAD C . 0 . ? CBD CBD C . 0 . ? CGD CGD C . 0 . ? O1D O1D O . 0 . ? O2D O2D O . 0 . ? HHA HHA H . 0 . ? HMA1 HMA1 H . 0 . ? HMA2 HMA2 H . 0 . ? HMA3 HMA3 H . 0 . ? HAA1 HAA1 H . 0 . ? HAA2 HAA2 H . 0 . ? HBA1 HBA1 H . 0 . ? HBA2 HBA2 H . 0 . ? H2A H2A H . 0 . ? HHB HHB H . 0 . ? HB HB H . 0 . ? HMB1 HMB1 H . 0 . ? HMB2 HMB2 H . 0 . ? HMB3 HMB3 H . 0 . ? HAB1 HAB1 H . 0 . ? HAB2 HAB2 H . 0 . ? HBB1 HBB1 H . 0 . ? HBB2 HBB2 H . 0 . ? HBB3 HBB3 H . 0 . ? HC HC H . 0 . ? H2C H2C H . 0 . ? H3C H3C H . 0 . ? HMC1 HMC1 H . 0 . ? HMC2 HMC2 H . 0 . ? HMC3 HMC3 H . 0 . ? HAC1 HAC1 H . 0 . ? HAC2 HAC2 H . 0 . ? HBC1 HBC1 H . 0 . ? HBC2 HBC2 H . 0 . ? HBC3 HBC3 H . 0 . ? HHD HHD H . 0 . ? HD HD H . 0 . ? HMD1 HMD1 H . 0 . ? HMD2 HMD2 H . 0 . ? HMD3 HMD3 H . 0 . ? HAD1 HAD1 H . 0 . ? HAD2 HAD2 H . 0 . ? HBD1 HBD1 H . 0 . ? HBD2 HBD2 H . 0 . ? H2D H2D 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 DOUB CHA C1A ? ? SING CHA C4D ? ? SING CHA HHA ? ? SING NA C1A ? ? DOUB NA C4A ? ? SING C1A C2A ? ? DOUB C2A C3A ? ? SING C2A CAA ? ? SING C3A C4A ? ? SING C3A CMA ? ? SING C4A CHB ? ? SING CMA HMA1 ? ? SING CMA HMA2 ? ? SING CMA HMA3 ? ? SING CAA CBA ? ? SING CAA HAA1 ? ? SING CAA HAA2 ? ? SING CBA CGA ? ? SING CBA HBA1 ? ? SING CBA HBA2 ? ? DOUB CGA O1A ? ? SING CGA O2A ? ? SING O2A H2A ? ? DOUB CHB C1B ? ? SING CHB HHB ? ? SING NB C1B ? ? SING NB C4B ? ? SING NB HB ? ? SING C1B C2B ? ? DOUB C2B C3B ? ? SING C2B CMB ? ? SING C3B C4B ? ? SING C3B CAB ? ? DOUB C4B OB ? ? SING CMB HMB1 ? ? SING CMB HMB2 ? ? SING CMB HMB3 ? ? SING CAB CBB ? ? SING CAB HAB1 ? ? SING CAB HAB2 ? ? SING CBB HBB1 ? ? SING CBB HBB2 ? ? SING CBB HBB3 ? ? SING NC C1C ? ? SING NC C4C ? ? SING NC HC ? ? SING C1C C2C ? ? DOUB C1C OC ? ? SING C2C C3C ? ? SING C2C CMC ? ? SING C2C H2C ? ? SING C3C C4C ? ? SING C3C CAC ? ? SING C3C H3C ? ? DOUB C4C CHD ? ? SING CMC HMC1 ? ? SING CMC HMC2 ? ? SING CMC HMC3 ? ? SING CAC CBC ? ? SING CAC HAC1 ? ? SING CAC HAC2 ? ? SING CBC HBC1 ? ? SING CBC HBC2 ? ? SING CBC HBC3 ? ? SING CHD C1D ? ? SING CHD HHD ? ? SING ND C1D ? ? SING ND C4D ? ? SING ND HD ? ? DOUB C1D C2D ? ? SING C2D C3D ? ? SING C2D CMD ? ? DOUB C3D C4D ? ? SING C3D CAD ? ? SING CMD HMD1 ? ? SING CMD HMD2 ? ? SING CMD HMD3 ? ? SING CAD CBD ? ? SING CAD HAD1 ? ? SING CAD HAD2 ? ? SING CBD CGD ? ? SING CBD HBD1 ? ? SING CBD HBD2 ? ? DOUB CGD O1D ? ? SING CGD O2D ? ? SING O2D H2D ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Cyanobacteriochrome_NpR6012g4 'Nostoc Punctiforme' 272131 Bacteria . Nostoc Punctiforme 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 $Cyanobacteriochrome_NpR6012g4 'recombinant technology' . Escherichia coli . pET28 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '15N labeled sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 10 mM 'natural abundance' $Cyanobacteriochrome_NpR6012g4 0.4 mM '[U-99% 15N]' D2O 7 '% v/v' '[U-99% 2H]' H2O 93 '% v/v' 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '15N and 13C labeled sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 10 mM 'natural abundance' $Cyanobacteriochrome_NpR6012g4 0.4 mM '[U-99% 13C; U-99% 15N]' D2O 7 '% v/v' '[U-99% 2H]' H2O 93 '% v/v' 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'equipped with a triple-resonance cryogenic TCI probe' 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_1H-15N_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 . pH pressure 1 . atm temperature 301 . 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 water C 13 protons ppm 41.706 na indirect . . . 0.251449530 water H 1 protons ppm 4.744 internal direct . . . 1.000000000 water N 15 protons ppm 118.050 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N TOCSY' '3D 1H-15N NOESY' '3D HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D HN(CA)CO' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Cyanobacteriochrome NpR6012g4' _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 1 599 17 SER HA H 4.381 0.002 1 2 599 17 SER HB2 H 3.901 0.019 2 3 599 17 SER HB3 H 3.901 0.019 2 4 599 17 SER C C 174.407 0 1 5 599 17 SER CA C 59.429 0 1 6 599 17 SER CB C 63.765 0.002 1 7 600 18 ASP H H 8.147 0 1 8 600 18 ASP HA H 4.635 0 1 9 600 18 ASP C C 177.194 0 1 10 600 18 ASP CA C 54.621 0 1 11 600 18 ASP CB C 41.54 0 1 12 600 18 ASP N N 121.428 0 1 13 601 19 VAL H H 8.13 0.008 1 14 601 19 VAL HA H 3.459 0.006 1 15 601 19 VAL HB H 1.794 0.007 1 16 601 19 VAL HG1 H 0.58 0.008 1 17 601 19 VAL HG2 H 0.789 0.009 1 18 601 19 VAL C C 176.023 0.023 1 19 601 19 VAL CA C 65.215 0.034 1 20 601 19 VAL CB C 31.487 0.021 1 21 601 19 VAL CG1 C 21.667 0.011 1 22 601 19 VAL CG2 C 21.854 0.034 1 23 601 19 VAL N N 120.827 0.035 1 24 602 20 GLU H H 8.038 0 1 25 602 20 GLU HA H 3.929 0.017 1 26 602 20 GLU HB2 H 2.132 0.005 2 27 602 20 GLU HB3 H 2.132 0.005 2 28 602 20 GLU HG2 H 2.377 0.004 2 29 602 20 GLU HG3 H 2.377 0.004 2 30 602 20 GLU C C 179.483 0.011 1 31 602 20 GLU CA C 59.92 0.043 1 32 602 20 GLU CB C 29.289 0.035 1 33 602 20 GLU CG C 36.773 0 1 34 602 20 GLU N N 119.651 0 1 35 603 21 GLU H H 7.886 0.006 1 36 603 21 GLU HA H 4.14 0.004 1 37 603 21 GLU HB2 H 2.137 0 2 38 603 21 GLU HB3 H 2.137 0 2 39 603 21 GLU HG2 H 2.357 0.004 2 40 603 21 GLU HG3 H 2.357 0.004 2 41 603 21 GLU C C 179.057 0 1 42 603 21 GLU CA C 59.262 0.06 1 43 603 21 GLU CB C 29.205 0 1 44 603 21 GLU CG C 36.09 0 1 45 603 21 GLU N N 119.793 0.009 1 46 604 22 ILE H H 7.808 0.011 1 47 604 22 ILE HA H 3.767 0.009 1 48 604 22 ILE HB H 1.749 0.014 1 49 604 22 ILE HG12 H 1.592 0.009 2 50 604 22 ILE HG13 H 0.909 0.009 2 51 604 22 ILE HG2 H 0.574 0.009 1 52 604 22 ILE HD1 H 0.602 0.005 1 53 604 22 ILE C C 180.092 0.008 1 54 604 22 ILE CA C 65.246 0.05 1 55 604 22 ILE CB C 37.515 0.069 1 56 604 22 ILE CG1 C 28.685 0 1 57 604 22 ILE CG2 C 17.146 0.014 1 58 604 22 ILE CD1 C 13.538 0.044 1 59 604 22 ILE N N 120.901 0.014 1 60 605 23 PHE H H 8.298 0.005 1 61 605 23 PHE HB2 H 3.345 0.011 2 62 605 23 PHE HB3 H 3.014 0.007 2 63 605 23 PHE HD1 H 7.095 0.014 3 64 605 23 PHE HD2 H 7.095 0.014 3 65 605 23 PHE HE1 H 7.223 0.005 3 66 605 23 PHE HE2 H 7.223 0.005 3 67 605 23 PHE C C 178.948 0 1 68 605 23 PHE CA C 58.773 0 1 69 605 23 PHE CB C 37.83 0.114 1 70 605 23 PHE N N 120.728 0 1 71 606 24 LYS H H 8.425 0.009 1 72 606 24 LYS HA H 4.053 0.02 1 73 606 24 LYS HB2 H 2.046 0.009 2 74 606 24 LYS HB3 H 2.046 0.009 2 75 606 24 LYS HG2 H 1.488 0.01 2 76 606 24 LYS HG3 H 1.488 0.01 2 77 606 24 LYS HD2 H 1.786 0.002 2 78 606 24 LYS HD3 H 1.786 0.002 2 79 606 24 LYS HE2 H 3.041 0.009 2 80 606 24 LYS HE3 H 3.041 0.009 2 81 606 24 LYS C C 178.423 0.026 1 82 606 24 LYS CA C 60.286 0.029 1 83 606 24 LYS CB C 32.721 0.031 1 84 606 24 LYS CG C 25.106 0.002 1 85 606 24 LYS CD C 29.568 0.022 1 86 606 24 LYS CE C 42.108 0.041 1 87 606 24 LYS N N 122.639 0.04 1 88 607 25 THR H H 8.59 0.003 1 89 607 25 THR HA H 4.031 0.017 1 90 607 25 THR HB H 4.223 0.006 1 91 607 25 THR HG2 H 1.272 0.001 1 92 607 25 THR C C 176.877 0 1 93 607 25 THR CA C 66.114 0.031 1 94 607 25 THR CB C 68.804 0.023 1 95 607 25 THR CG2 C 22.058 0.005 1 96 607 25 THR N N 113.925 0.033 1 97 608 26 THR H H 8.342 0.012 1 98 608 26 THR C C 176.21 0.013 1 99 608 26 THR CA C 68.33 0 1 100 608 26 THR CB C 68.79 0 1 101 608 26 THR N N 117.292 0.008 1 102 609 27 THR H H 8.067 0.004 1 103 609 27 THR HA H 3.738 0.007 1 104 609 27 THR HB H 3.968 0.005 1 105 609 27 THR HG2 H 1.152 0.006 1 106 609 27 THR C C 176.64 0 1 107 609 27 THR CA C 66.147 0.004 1 108 609 27 THR CB C 67.965 0.079 1 109 609 27 THR CG2 C 23.394 0.042 1 110 609 27 THR N N 109.146 0.028 1 111 610 28 GLN H H 7.666 0.008 1 112 610 28 GLN HA H 4.339 0.014 1 113 610 28 GLN C C 178.613 0.005 1 114 610 28 GLN CA C 59.14 0.01 1 115 610 28 GLN CB C 28.682 0 1 116 610 28 GLN N N 121.685 0.029 1 117 611 29 GLU H H 8.383 0.009 1 118 611 29 GLU HA H 4.152 0.014 1 119 611 29 GLU C C 179.956 0.016 1 120 611 29 GLU CA C 59.505 0.013 1 121 611 29 GLU CB C 29.526 0 1 122 611 29 GLU N N 119.664 0.037 1 123 612 30 VAL H H 8.366 0.007 1 124 612 30 VAL HA H 3.536 0.011 1 125 612 30 VAL HB H 2.179 0.01 1 126 612 30 VAL HG1 H 0.875 0.011 1 127 612 30 VAL HG2 H 1.166 0.005 1 128 612 30 VAL C C 176.859 0 1 129 612 30 VAL CA C 66.886 0.093 1 130 612 30 VAL CB C 31.459 0.006 1 131 612 30 VAL CG1 C 24.129 0.035 1 132 612 30 VAL CG2 C 25.074 0.024 1 133 612 30 VAL N N 117.795 0.058 1 134 613 31 ARG H H 8.066 0.008 1 135 613 31 ARG HA H 3.968 0.026 1 136 613 31 ARG C C 178.981 0.003 1 137 613 31 ARG CA C 60.861 0.001 1 138 613 31 ARG CB C 30.756 0 1 139 613 31 ARG N N 120.488 0 1 140 614 32 GLN H H 7.82 0.006 1 141 614 32 GLN HA H 4.259 0.023 1 142 614 32 GLN HB2 H 2.242 0 2 143 614 32 GLN HB3 H 2.242 0 2 144 614 32 GLN HG2 H 2.533 0.014 2 145 614 32 GLN HG3 H 2.533 0.014 2 146 614 32 GLN C C 178.485 0.023 1 147 614 32 GLN CA C 58.441 0.006 1 148 614 32 GLN CB C 28.637 0 1 149 614 32 GLN CG C 33.977 0 1 150 614 32 GLN N N 116.144 0.037 1 151 615 33 LEU H H 8.319 0.016 1 152 615 33 LEU HA H 4.211 0.014 1 153 615 33 LEU HB2 H 1.887 0.01 2 154 615 33 LEU HB3 H 1.595 0.005 2 155 615 33 LEU HG H 1.666 0 1 156 615 33 LEU HD1 H 0.945 0 1 157 615 33 LEU HD2 H 0.945 0 1 158 615 33 LEU C C 179.284 0.026 1 159 615 33 LEU CA C 57.922 0.034 1 160 615 33 LEU CB C 43.158 0.021 1 161 615 33 LEU CG C 27.182 0 1 162 615 33 LEU CD1 C 25.016 0 1 163 615 33 LEU CD2 C 23.52 0 1 164 615 33 LEU N N 120.492 0.059 1 165 616 34 LEU H H 8.482 0.012 1 166 616 34 LEU HA H 4.518 0.008 1 167 616 34 LEU HB2 H 1.93 0.024 2 168 616 34 LEU HB3 H 1.583 0.025 2 169 616 34 LEU HG H 1.82 0.01 1 170 616 34 LEU HD1 H 0.877 0.007 1 171 616 34 LEU HD2 H 0.985 0.005 1 172 616 34 LEU C C 177.101 0.006 1 173 616 34 LEU CA C 54.846 0.03 1 174 616 34 LEU CB C 43.088 0.048 1 175 616 34 LEU CG C 27.811 0.06 1 176 616 34 LEU CD1 C 26.129 0.031 1 177 616 34 LEU CD2 C 23.521 0.041 1 178 616 34 LEU N N 114.268 0.022 1 179 617 35 ARG H H 8.099 0.01 1 180 617 35 ARG HA H 4.211 0.007 1 181 617 35 ARG HB2 H 2.056 0.013 2 182 617 35 ARG HB3 H 1.71 0 2 183 617 35 ARG C C 176.489 0.02 1 184 617 35 ARG CA C 56.984 0.087 1 185 617 35 ARG CB C 26.518 0.024 1 186 617 35 ARG N N 118.532 0.032 1 187 618 36 CYS H H 7.49 0.002 1 188 618 36 CYS HA H 5.72 0.011 1 189 618 36 CYS HB2 H 3.759 0.001 2 190 618 36 CYS HB3 H 2.644 0.005 2 191 618 36 CYS C C 172.701 0.009 1 192 618 36 CYS CA C 55.408 0.052 1 193 618 36 CYS CB C 29.333 0.032 1 194 618 36 CYS N N 113.079 0.017 1 195 619 37 ASP H H 7.969 0.013 1 196 619 37 ASP HA H 5.066 0.008 1 197 619 37 ASP HB2 H 2.228 0.006 2 198 619 37 ASP HB3 H 1.952 0.012 2 199 619 37 ASP C C 174.861 0 1 200 619 37 ASP CA C 57.757 0.09 1 201 619 37 ASP CB C 43.703 0.046 1 202 619 37 ASP N N 117.756 0.022 1 203 620 38 ARG H H 8.031 0.011 1 204 620 38 ARG HA H 5.421 0.01 1 205 620 38 ARG HB2 H 1.596 0 2 206 620 38 ARG HB3 H 1.596 0 2 207 620 38 ARG C C 174.509 0.003 1 208 620 38 ARG CA C 55.215 0.053 1 209 620 38 ARG CB C 34.66 0.023 1 210 620 38 ARG N N 118.745 0.024 1 211 621 39 VAL H H 9.027 0.013 1 212 621 39 VAL HA H 5.423 0.01 1 213 621 39 VAL HB H 1.989 0.01 1 214 621 39 VAL HG1 H 0.954 0.005 1 215 621 39 VAL HG2 H 0.899 0.006 1 216 621 39 VAL C C 174.262 0.006 1 217 621 39 VAL CA C 61.133 0.129 1 218 621 39 VAL CB C 35.13 0.068 1 219 621 39 VAL CG1 C 21.123 0.013 1 220 621 39 VAL CG2 C 22.774 0.05 1 221 621 39 VAL N N 128.374 0.023 1 222 622 40 ALA H H 9.822 0.013 1 223 622 40 ALA HA H 5.572 0.012 1 224 622 40 ALA HB H 1.327 0.009 1 225 622 40 ALA C C 174.257 0 1 226 622 40 ALA CA C 50.851 0.073 1 227 622 40 ALA CB C 25.608 0.021 1 228 622 40 ALA N N 128.809 0.02 1 229 623 41 VAL H H 8.354 0.01 1 230 623 41 VAL HA H 4.837 0.006 1 231 623 41 VAL HB H 1.557 0.013 1 232 623 41 VAL HG1 H 0.75 0.005 1 233 623 41 VAL HG2 H 0.679 0.009 1 234 623 41 VAL C C 173.766 0.009 1 235 623 41 VAL CA C 60.866 0.015 1 236 623 41 VAL CB C 34.522 0.002 1 237 623 41 VAL CG1 C 21.716 0.038 1 238 623 41 VAL CG2 C 21.041 0.055 1 239 623 41 VAL N N 118.203 0.025 1 240 624 42 TYR H H 9.272 0.012 1 241 624 42 TYR HA H 4.392 0.017 1 242 624 42 TYR HB2 H 2.166 0.005 2 243 624 42 TYR HB3 H 1.914 0.005 2 244 624 42 TYR HD1 H 7.081 0.012 3 245 624 42 TYR HD2 H 7.081 0.012 3 246 624 42 TYR HE1 H 6.737 0.015 3 247 624 42 TYR HE2 H 6.737 0.015 3 248 624 42 TYR C C 172.666 0.003 1 249 624 42 TYR CA C 56.072 0.035 1 250 624 42 TYR CB C 42.014 0.005 1 251 624 42 TYR N N 132.019 0.012 1 252 625 43 ARG H H 8.029 0.011 1 253 625 43 ARG HA H 3.747 0.009 1 254 625 43 ARG HB2 H 1.192 0.007 2 255 625 43 ARG HB3 H 0.729 0.011 2 256 625 43 ARG HG2 H -0.002 0.011 2 257 625 43 ARG HG3 H -0.002 0.011 2 258 625 43 ARG HD2 H 3.007 0.012 2 259 625 43 ARG HD3 H 2.801 0.012 2 260 625 43 ARG HE H 6.916 0.001 1 261 625 43 ARG C C 175.373 0.011 1 262 625 43 ARG CA C 54.123 0.044 1 263 625 43 ARG CB C 35.047 0.118 1 264 625 43 ARG CG C 25.728 0.087 1 265 625 43 ARG CD C 43.746 0.057 1 266 625 43 ARG CZ C 159.583 0 1 267 625 43 ARG N N 127.228 0.042 1 268 625 43 ARG NE N 84.328 0.017 1 269 626 44 PHE H H 7.674 0.005 1 270 626 44 PHE HA H 4.637 0.007 1 271 626 44 PHE HB2 H 2.763 0.004 2 272 626 44 PHE HB3 H 2.291 0.009 2 273 626 44 PHE HD1 H 7.08 0.018 3 274 626 44 PHE HD2 H 7.08 0.018 3 275 626 44 PHE C C 176.209 0.026 1 276 626 44 PHE CA C 59.274 0.067 1 277 626 44 PHE CB C 40.168 0.086 1 278 626 44 PHE N N 123.06 0.044 1 279 627 45 ASN H H 9.063 0.002 1 280 627 45 ASN HA H 4.815 0.004 1 281 627 45 ASN HB2 H 2.709 0.001 2 282 627 45 ASN HB3 H 2.365 0 2 283 627 45 ASN C C 175.88 0 1 284 627 45 ASN CA C 51.433 0.052 1 285 627 45 ASN CB C 37.139 0.098 1 286 627 45 ASN N N 120.445 0.047 1 287 628 46 PRO HA H 3.865 0.017 1 288 628 46 PRO HB2 H 2.237 0.009 2 289 628 46 PRO HB3 H 1.723 0.007 2 290 628 46 PRO C C 175.512 0 1 291 628 46 PRO CA C 65.355 0.065 1 292 628 46 PRO CB C 31.655 0.02 1 293 629 47 ASN H H 7.325 0.002 1 294 629 47 ASN HA H 4.641 0.008 1 295 629 47 ASN HB2 H 3.355 0.008 2 296 629 47 ASN HB3 H 2.77 0.007 2 297 629 47 ASN C C 175.55 0.013 1 298 629 47 ASN CA C 51.829 0.079 1 299 629 47 ASN CB C 37.027 0.021 1 300 629 47 ASN N N 111.35 0.019 1 301 630 48 TRP H H 7.898 0.007 1 302 630 48 TRP HA H 3.945 0.035 1 303 630 48 TRP HB2 H 3.89 0.013 2 304 630 48 TRP HB3 H 3.643 0.003 2 305 630 48 TRP HD1 H 7.079 0.011 1 306 630 48 TRP HE1 H 9.947 0.001 1 307 630 48 TRP HE3 H 6.324 0.017 1 308 630 48 TRP HZ2 H 7.384 0.004 1 309 630 48 TRP HZ3 H 5.853 0.006 1 310 630 48 TRP C C 177.878 0.001 1 311 630 48 TRP CA C 61.14 0.079 1 312 630 48 TRP CB C 25.761 0.009 1 313 630 48 TRP CE2 C 138.934 0 1 314 630 48 TRP N N 110.382 0.013 1 315 630 48 TRP NE1 N 128.286 0.007 1 316 631 49 THR H H 7.159 0.012 1 317 631 49 THR HA H 4.497 0.006 1 318 631 49 THR HB H 4.605 0.018 1 319 631 49 THR HG2 H 1.28 0.007 1 320 631 49 THR C C 173.316 0.019 1 321 631 49 THR CA C 63.807 0.091 1 322 631 49 THR CB C 71.745 0.058 1 323 631 49 THR CG2 C 21.491 0.083 1 324 631 49 THR N N 107.051 0.042 1 325 632 50 GLY H H 8.297 0.011 1 326 632 50 GLY HA2 H 3.94 0.027 2 327 632 50 GLY HA3 H 3.498 0.01 2 328 632 50 GLY C C 170.683 0.026 1 329 632 50 GLY CA C 47.475 0.021 1 330 632 50 GLY N N 106.884 0.047 1 331 633 51 GLU H H 6.658 0.01 1 332 633 51 GLU HA H 4.248 0.015 1 333 633 51 GLU HB2 H 1.897 0.003 2 334 633 51 GLU HB3 H 1.721 0.018 2 335 633 51 GLU HG2 H 1.883 0.008 2 336 633 51 GLU HG3 H 1.76 0.001 2 337 633 51 GLU C C 174.432 0.006 1 338 633 51 GLU CA C 54.021 0.102 1 339 633 51 GLU CB C 32.774 0.115 1 340 633 51 GLU CG C 34.791 0.048 1 341 633 51 GLU N N 112.586 0.013 1 342 634 52 PHE H H 9.035 0.004 1 343 634 52 PHE HA H 4.95 0.009 1 344 634 52 PHE HB2 H 2.717 0.008 2 345 634 52 PHE HB3 H 2.523 0.003 2 346 634 52 PHE HD1 H 7.075 0.014 3 347 634 52 PHE HD2 H 7.075 0.014 3 348 634 52 PHE HE1 H 6.907 0.004 3 349 634 52 PHE HE2 H 6.907 0.004 3 350 634 52 PHE C C 176.224 0.015 1 351 634 52 PHE CA C 59.246 0.065 1 352 634 52 PHE CB C 39.236 0.028 1 353 634 52 PHE N N 120.586 0.055 1 354 635 53 VAL H H 8.373 0.009 1 355 635 53 VAL HA H 4.43 0.011 1 356 635 53 VAL HB H 2.253 0.003 1 357 635 53 VAL HG1 H 0.724 0.007 1 358 635 53 VAL HG2 H 0.443 0.015 1 359 635 53 VAL C C 175.604 0.003 1 360 635 53 VAL CA C 60.778 0.036 1 361 635 53 VAL CB C 33.076 0.037 1 362 635 53 VAL CG1 C 22.727 0.035 1 363 635 53 VAL CG2 C 18.478 0.027 1 364 635 53 VAL N N 114.553 0.042 1 365 636 54 ALA H H 7.395 0.006 1 366 636 54 ALA HA H 4.749 0.004 1 367 636 54 ALA HB H 1.334 0.005 1 368 636 54 ALA C C 175.192 0.005 1 369 636 54 ALA CA C 51.93 0.016 1 370 636 54 ALA CB C 23.311 0.032 1 371 636 54 ALA N N 120.379 0.023 1 372 637 55 GLU H H 9.036 0.003 1 373 637 55 GLU HA H 5.692 0.014 1 374 637 55 GLU HB2 H 1.98 0.029 2 375 637 55 GLU HB3 H 1.98 0.029 2 376 637 55 GLU C C 174.493 0.006 1 377 637 55 GLU CA C 55.58 0.033 1 378 637 55 GLU CB C 33.452 0.15 1 379 637 55 GLU N N 116.324 0.006 1 380 638 56 SER H H 8.929 0.011 1 381 638 56 SER HA H 4.896 0.009 1 382 638 56 SER HB2 H 3.915 0.005 2 383 638 56 SER HB3 H 3.533 0.025 2 384 638 56 SER C C 173.358 0.022 1 385 638 56 SER CA C 57.022 0.056 1 386 638 56 SER CB C 64.175 0 1 387 638 56 SER N N 113.553 0.02 1 388 639 57 VAL H H 8.888 0.01 1 389 639 57 VAL HA H 5.094 0.005 1 390 639 57 VAL HB H 2.212 0.007 1 391 639 57 VAL HG1 H 0.917 0.013 1 392 639 57 VAL HG2 H 1.468 0.007 1 393 639 57 VAL C C 173.154 0.003 1 394 639 57 VAL CA C 59.475 0.076 1 395 639 57 VAL CB C 35.66 0.038 1 396 639 57 VAL CG1 C 18.318 0.022 1 397 639 57 VAL CG2 C 21.545 0.017 1 398 639 57 VAL N N 127.372 0.018 1 399 640 58 ALA H H 8.189 0.004 1 400 640 58 ALA HA H 4.593 0.013 1 401 640 58 ALA HB H 1.817 0.01 1 402 640 58 ALA C C 178.285 0.01 1 403 640 58 ALA CA C 52.691 0.096 1 404 640 58 ALA CB C 19.802 0.027 1 405 640 58 ALA N N 128.806 0.014 1 406 641 59 HIS H H 8.541 0.006 1 407 641 59 HIS HA H 4.512 0 1 408 641 59 HIS HB2 H 3.197 0 2 409 641 59 HIS HB3 H 3.197 0 2 410 641 59 HIS HD2 H 6.985 0 1 411 641 59 HIS C C 175.449 0 1 412 641 59 HIS CA C 58.575 0.062 1 413 641 59 HIS CB C 30.765 0.076 1 414 641 59 HIS N N 117.634 0.014 1 415 642 60 THR H H 6.905 0.004 1 416 642 60 THR HA H 3.701 0.003 1 417 642 60 THR HB H 3.301 0.009 1 418 642 60 THR HG2 H 0.467 0.005 1 419 642 60 THR C C 173.904 0.004 1 420 642 60 THR CA C 62.905 0.029 1 421 642 60 THR CB C 68.531 0.017 1 422 642 60 THR CG2 C 21.138 0.014 1 423 642 60 THR N N 109.367 0.018 1 424 643 61 TRP H H 6.721 0.008 1 425 643 61 TRP HA H 5.334 0.013 1 426 643 61 TRP HB2 H 3.388 0.006 2 427 643 61 TRP HB3 H 2.881 0.008 2 428 643 61 TRP HD1 H 7.316 0.015 1 429 643 61 TRP HE1 H 10.305 0.01 1 430 643 61 TRP HE3 H 8.106 0.005 1 431 643 61 TRP C C 176.3 0 1 432 643 61 TRP CA C 54.409 0.072 1 433 643 61 TRP CB C 31.655 0.022 1 434 643 61 TRP CE2 C 139.448 0 1 435 643 61 TRP N N 120.239 0.023 1 436 643 61 TRP NE1 N 129.541 0.016 1 437 644 62 VAL H H 9.498 0.006 1 438 644 62 VAL HA H 4.183 0.007 1 439 644 62 VAL HB H 2.336 0.011 1 440 644 62 VAL HG1 H 1.116 0.007 1 441 644 62 VAL HG2 H 1.097 0.005 1 442 644 62 VAL C C 176.548 0.017 1 443 644 62 VAL CA C 62.005 0.142 1 444 644 62 VAL CB C 32.617 0.034 1 445 644 62 VAL CG1 C 21.408 0.036 1 446 644 62 VAL CG2 C 19.441 0.037 1 447 644 62 VAL N N 118.854 0.033 1 448 645 63 LYS H H 8.526 0.008 1 449 645 63 LYS HA H 4.032 0.015 1 450 645 63 LYS HB2 H 1.781 0.012 2 451 645 63 LYS HB3 H 1.781 0.012 2 452 645 63 LYS HE2 H 3.024 0 2 453 645 63 LYS HE3 H 3.024 0 2 454 645 63 LYS C C 174.012 0.016 1 455 645 63 LYS CA C 57.008 0.04 1 456 645 63 LYS CB C 33.041 0.106 1 457 645 63 LYS CE C 40.042 0 1 458 645 63 LYS N N 123.118 0.016 1 459 646 64 LEU H H 9.69 0.014 1 460 646 64 LEU HA H 4.518 0.014 1 461 646 64 LEU HB2 H 1.637 0.014 2 462 646 64 LEU HB3 H 1.637 0.014 2 463 646 64 LEU HG H 0.487 0.01 1 464 646 64 LEU HD1 H -0.513 0.006 1 465 646 64 LEU HD2 H -0.806 0.007 1 466 646 64 LEU C C 174.446 0 1 467 646 64 LEU CA C 55.304 0.056 1 468 646 64 LEU CB C 45.337 0 1 469 646 64 LEU CG C 27.45 0.021 1 470 646 64 LEU CD1 C 21.146 0.017 1 471 646 64 LEU CD2 C 24.399 0.019 1 472 646 64 LEU N N 123.88 0.016 1 473 647 65 VAL H H 7.48 0.013 1 474 647 65 VAL HA H 4.031 0.011 1 475 647 65 VAL HB H 1.949 0.006 1 476 647 65 VAL HG1 H 0.761 0.006 1 477 647 65 VAL HG2 H 0.494 0.007 1 478 647 65 VAL C C 175.951 0.007 1 479 647 65 VAL CA C 61.349 0.085 1 480 647 65 VAL CB C 32.676 0.072 1 481 647 65 VAL CG1 C 20.706 0.03 1 482 647 65 VAL CG2 C 22.117 0.025 1 483 647 65 VAL N N 118.005 0.011 1 484 648 66 GLY H H 8.247 0.009 1 485 648 66 GLY HA2 H 4.269 0.015 2 486 648 66 GLY HA3 H 4.087 0.002 2 487 648 66 GLY C C 171.482 0 1 488 648 66 GLY CA C 44.771 0.042 1 489 648 66 GLY N N 116.605 0.034 1 490 649 67 PRO HA H 4.495 0.005 1 491 649 67 PRO HB2 H 2.296 0.006 2 492 649 67 PRO HB3 H 2.004 0.009 2 493 649 67 PRO HG2 H 2.042 0 2 494 649 67 PRO HG3 H 2.042 0 2 495 649 67 PRO HD2 H 3.673 0.002 2 496 649 67 PRO HD3 H 3.612 0.001 2 497 649 67 PRO C C 176.996 0 1 498 649 67 PRO CA C 63.869 0.007 1 499 649 67 PRO CB C 32.029 0.043 1 500 649 67 PRO CG C 27.216 0 1 501 649 67 PRO CD C 49.878 0.028 1 502 650 68 ASP H H 8.716 0.004 1 503 650 68 ASP HA H 4.555 0.01 1 504 650 68 ASP HB2 H 2.767 0 2 505 650 68 ASP HB3 H 2.685 0 2 506 650 68 ASP C C 175.22 0.005 1 507 650 68 ASP CA C 54.243 0.07 1 508 650 68 ASP CB C 40.203 0.026 1 509 650 68 ASP N N 116.414 0.03 1 510 651 69 ILE H H 7.326 0.006 1 511 651 69 ILE HA H 4.052 0.014 1 512 651 69 ILE HB H 1.833 0.018 1 513 651 69 ILE HG12 H 1.35 0.009 2 514 651 69 ILE HG13 H 1.003 0.001 2 515 651 69 ILE HG2 H 1.076 0.008 1 516 651 69 ILE HD1 H 0.569 0.003 1 517 651 69 ILE C C 175.719 0.007 1 518 651 69 ILE CA C 61.686 0.1 1 519 651 69 ILE CB C 37.825 0.036 1 520 651 69 ILE CG1 C 27.489 0.01 1 521 651 69 ILE CG2 C 17.425 0.016 1 522 651 69 ILE CD1 C 12.283 0.013 1 523 651 69 ILE N N 121.58 0.024 1 524 652 70 LYS H H 8.553 0.007 1 525 652 70 LYS HA H 4.927 0.011 1 526 652 70 LYS HB2 H 1.8 0.002 2 527 652 70 LYS HB3 H 1.676 0.006 2 528 652 70 LYS HG2 H 1.421 0.006 2 529 652 70 LYS HG3 H 1.421 0.006 2 530 652 70 LYS HD2 H 1.695 0 2 531 652 70 LYS HD3 H 1.695 0 2 532 652 70 LYS HE2 H 3.004 0.001 2 533 652 70 LYS HE3 H 3.004 0.001 2 534 652 70 LYS C C 176.892 0.004 1 535 652 70 LYS CA C 54.248 0.105 1 536 652 70 LYS CB C 34.774 0.033 1 537 652 70 LYS CG C 24.292 0 1 538 652 70 LYS CD C 29.035 0 1 539 652 70 LYS CE C 42.203 0 1 540 652 70 LYS N N 129.162 0.024 1 541 653 71 THR H H 8.676 0.006 1 542 653 71 THR HA H 4.83 0.006 1 543 653 71 THR HB H 4.496 0.007 1 544 653 71 THR HG2 H 1.601 0.007 1 545 653 71 THR C C 177.343 0.006 1 546 653 71 THR CA C 62.007 0.098 1 547 653 71 THR CB C 70.216 0.075 1 548 653 71 THR CG2 C 23.769 0.029 1 549 653 71 THR N N 116.884 0.026 1 550 654 72 VAL H H 9.251 0.005 1 551 654 72 VAL HA H 3.687 0.009 1 552 654 72 VAL HB H 1.826 0.01 1 553 654 72 VAL HG1 H 0.798 0.006 1 554 654 72 VAL HG2 H 0.724 0.004 1 555 654 72 VAL C C 174.864 0.009 1 556 654 72 VAL CA C 64.591 0.061 1 557 654 72 VAL CB C 31.453 0.02 1 558 654 72 VAL CG1 C 20.764 0.048 1 559 654 72 VAL CG2 C 19.499 0.03 1 560 654 72 VAL N N 120.166 0.033 1 561 655 73 TRP H H 6.714 0.003 1 562 655 73 TRP HA H 4.945 0.011 1 563 655 73 TRP HB2 H 3.437 0.003 2 564 655 73 TRP HB3 H 2.683 0.012 2 565 655 73 TRP HD1 H 7.298 0.01 1 566 655 73 TRP HE1 H 10.962 0.01 1 567 655 73 TRP HZ2 H 7.595 0.008 1 568 655 73 TRP C C 175.801 0.007 1 569 655 73 TRP CA C 54.85 0.032 1 570 655 73 TRP CB C 33.474 0.024 1 571 655 73 TRP CE2 C 139.558 0 1 572 655 73 TRP N N 115.256 0.032 1 573 655 73 TRP NE1 N 130.162 0.007 1 574 656 74 GLU H H 9.022 0.01 1 575 656 74 GLU HA H 4.319 0.012 1 576 656 74 GLU HB2 H 2.063 0.027 2 577 656 74 GLU HB3 H 2.063 0.027 2 578 656 74 GLU HG2 H 2.289 0.004 2 579 656 74 GLU HG3 H 2.289 0.004 2 580 656 74 GLU C C 174.852 0.007 1 581 656 74 GLU CA C 56.608 0.05 1 582 656 74 GLU CB C 29.88 0 1 583 656 74 GLU CG C 36.153 0 1 584 656 74 GLU N N 124.543 0.037 1 585 657 75 ASP H H 8.717 0.003 1 586 657 75 ASP HA H 4.889 0.005 1 587 657 75 ASP HB2 H 3.079 0.007 2 588 657 75 ASP HB3 H 2.312 0.01 2 589 657 75 ASP C C 176.868 0.015 1 590 657 75 ASP CA C 52.366 0.144 1 591 657 75 ASP CB C 42.828 0.02 1 592 657 75 ASP N N 124.781 0.012 1 593 658 76 THR H H 8.761 0.015 1 594 658 76 THR HA H 4.837 0.009 1 595 658 76 THR HB H 4.713 0.011 1 596 658 76 THR HG2 H 1.19 0.007 1 597 658 76 THR C C 175.609 0 1 598 658 76 THR CA C 60.742 0.095 1 599 658 76 THR CB C 69.109 0.065 1 600 658 76 THR N N 115.347 0.018 1 601 659 77 HIS H H 8.277 0.004 1 602 659 77 HIS HA H 3.874 0.019 1 603 659 77 HIS HD2 H 5.99 0.007 1 604 659 77 HIS C C 178.043 0.008 1 605 659 77 HIS CA C 61.128 0.031 1 606 659 77 HIS N N 122.548 0.102 1 607 660 78 LEU H H 9.084 0.006 1 608 660 78 LEU HA H 3.398 0.008 1 609 660 78 LEU HB2 H 2.166 0.011 2 610 660 78 LEU HB3 H 1.308 0.031 2 611 660 78 LEU HG H 1.394 0.004 1 612 660 78 LEU HD1 H 0.3 0.005 1 613 660 78 LEU HD2 H 0.896 0.009 1 614 660 78 LEU C C 177.736 0.031 1 615 660 78 LEU CA C 57.564 0.072 1 616 660 78 LEU CB C 41.561 0.057 1 617 660 78 LEU CG C 26.489 0 1 618 660 78 LEU CD1 C 25.448 0.031 1 619 660 78 LEU CD2 C 22.323 0.033 1 620 660 78 LEU N N 119.046 0.04 1 621 661 79 GLN H H 7.806 0.003 1 622 661 79 GLN HA H 4.399 0.006 1 623 661 79 GLN HB2 H 2.058 0.008 2 624 661 79 GLN HB3 H 1.782 0.005 2 625 661 79 GLN HG2 H 2.596 0.007 2 626 661 79 GLN HG3 H 2.276 0.002 2 627 661 79 GLN C C 179.295 0.023 1 628 661 79 GLN CA C 57.989 0.08 1 629 661 79 GLN CB C 27.816 0.155 1 630 661 79 GLN CG C 32.557 0.087 1 631 661 79 GLN N N 119.455 0.025 1 632 662 80 GLU H H 8.499 0.013 1 633 662 80 GLU HA H 3.898 0.016 1 634 662 80 GLU HB2 H 1.954 0.01 2 635 662 80 GLU HB3 H 1.954 0.01 2 636 662 80 GLU HG2 H 2.31 0.013 2 637 662 80 GLU HG3 H 2.31 0.013 2 638 662 80 GLU C C 178.236 0.006 1 639 662 80 GLU CA C 58.891 0.061 1 640 662 80 GLU CB C 29.621 0.043 1 641 662 80 GLU CG C 36.649 0 1 642 662 80 GLU N N 119.45 0.021 1 643 663 81 THR H H 7.283 0.014 1 644 663 81 THR HA H 4.119 0.006 1 645 663 81 THR HB H 4.106 0.002 1 646 663 81 THR HG2 H 0.806 0.008 1 647 663 81 THR C C 173.919 0 1 648 663 81 THR CA C 60.953 0.074 1 649 663 81 THR CB C 69.629 0.191 1 650 663 81 THR CG2 C 20.699 0.011 1 651 663 81 THR N N 104.755 0.027 1 652 664 82 GLN H H 7.149 0.003 1 653 664 82 GLN HA H 2.481 0.011 1 654 664 82 GLN HB2 H 0.297 0.016 2 655 664 82 GLN HB3 H 0.297 0.016 2 656 664 82 GLN HG2 H 1.701 0.014 2 657 664 82 GLN HG3 H 1.701 0.014 2 658 664 82 GLN C C 173.138 0.019 1 659 664 82 GLN CA C 56.345 0.061 1 660 664 82 GLN CB C 24.604 0.079 1 661 664 82 GLN CG C 34.014 0.008 1 662 664 82 GLN N N 119.845 0.006 1 663 665 83 GLY H H 8.628 0.009 1 664 665 83 GLY HA2 H 3.709 0.01 2 665 665 83 GLY HA3 H 2.793 0.01 2 666 665 83 GLY C C 173.384 0 1 667 665 83 GLY CA C 44.235 0.074 1 668 665 83 GLY N N 101.348 0.019 1 669 666 84 GLY H H 7.186 0.006 1 670 666 84 GLY HA2 H 4.306 0 2 671 666 84 GLY HA3 H 4.306 0 2 672 666 84 GLY C C 176.051 0.018 1 673 666 84 GLY CA C 46.219 0.018 1 674 666 84 GLY N N 106.715 0.026 1 675 667 85 ARG H H 8.596 0.015 1 676 667 85 ARG HA H 4.033 0.01 1 677 667 85 ARG HB2 H 1.529 0 2 678 667 85 ARG HB3 H 1.176 0 2 679 667 85 ARG C C 176.213 0.044 1 680 667 85 ARG CA C 56.875 0.021 1 681 667 85 ARG CB C 27.657 0.036 1 682 667 85 ARG N N 122.668 0.006 1 683 668 86 TYR H H 7.169 0.008 1 684 668 86 TYR HA H 4.348 0.005 1 685 668 86 TYR HB2 H 3.123 0 2 686 668 86 TYR HB3 H 3.02 0.029 2 687 668 86 TYR HD1 H 7.407 0.012 3 688 668 86 TYR HD2 H 7.407 0.012 3 689 668 86 TYR C C 178.678 0.003 1 690 668 86 TYR CA C 59.731 0.121 1 691 668 86 TYR CB C 37.161 0.07 1 692 668 86 TYR N N 123.128 0.025 1 693 669 87 ALA H H 7.054 0.001 1 694 669 87 ALA HA H 4.195 0.006 1 695 669 87 ALA HB H 1.381 0.009 1 696 669 87 ALA C C 179.041 0.005 1 697 669 87 ALA CA C 54.523 0.083 1 698 669 87 ALA CB C 18.059 0.059 1 699 669 87 ALA N N 121.021 0.015 1 700 670 88 GLN H H 7.144 0.001 1 701 670 88 GLN HA H 4.529 0.003 1 702 670 88 GLN HB2 H 2.502 0.003 2 703 670 88 GLN HB3 H 2.107 0.004 2 704 670 88 GLN HG2 H 2.361 0.017 2 705 670 88 GLN HG3 H 2.361 0.017 2 706 670 88 GLN C C 176.33 0.007 1 707 670 88 GLN CA C 54.97 0.074 1 708 670 88 GLN CB C 28.434 0.053 1 709 670 88 GLN CG C 34.003 0 1 710 670 88 GLN N N 113.306 0.011 1 711 671 89 GLY H H 8.343 0.004 1 712 671 89 GLY HA2 H 4.325 0.007 2 713 671 89 GLY HA3 H 3.831 0.013 2 714 671 89 GLY C C 173.883 0 1 715 671 89 GLY CA C 45.824 0.066 1 716 671 89 GLY N N 107.191 0.018 1 717 672 90 GLU H H 7.122 0.011 1 718 672 90 GLU HA H 4.244 0.006 1 719 672 90 GLU HB2 H 2.211 0.007 2 720 672 90 GLU HB3 H 2.211 0.007 2 721 672 90 GLU C C 174.122 0.007 1 722 672 90 GLU CA C 57.146 0.013 1 723 672 90 GLU CB C 30.987 0 1 724 672 90 GLU N N 119.7 0.02 1 725 673 91 ASN H H 7.925 0.002 1 726 673 91 ASN HA H 5.482 0.016 1 727 673 91 ASN HB2 H 2.722 0.005 2 728 673 91 ASN HB3 H 2.722 0.005 2 729 673 91 ASN C C 175.19 0.013 1 730 673 91 ASN CA C 51.367 0.038 1 731 673 91 ASN CB C 40.373 0 1 732 673 91 ASN N N 113.104 0.04 1 733 674 92 PHE H H 9.307 0.008 1 734 674 92 PHE HA H 5.233 0.012 1 735 674 92 PHE HB2 H 3.478 0.006 2 736 674 92 PHE HB3 H 3.124 0.01 2 737 674 92 PHE HD1 H 7.353 0.008 3 738 674 92 PHE HD2 H 7.353 0.008 3 739 674 92 PHE HE1 H 6.83 0 3 740 674 92 PHE HE2 H 6.83 0 3 741 674 92 PHE C C 173.286 0.003 1 742 674 92 PHE CA C 56.783 0.028 1 743 674 92 PHE CB C 44.706 0.097 1 744 674 92 PHE N N 122.509 0.036 1 745 675 93 VAL H H 8.151 0.012 1 746 675 93 VAL HA H 3.841 0.012 1 747 675 93 VAL HB H 1.924 0.008 1 748 675 93 VAL HG1 H 0.866 0.008 1 749 675 93 VAL HG2 H 0.848 0.011 1 750 675 93 VAL C C 174.218 0.01 1 751 675 93 VAL CA C 62.201 0.076 1 752 675 93 VAL CB C 33.681 0.047 1 753 675 93 VAL CG1 C 22.078 0.064 1 754 675 93 VAL CG2 C 21.391 0.045 1 755 675 93 VAL N N 127.055 0.038 1 756 676 94 VAL H H 8.862 0.012 1 757 676 94 VAL HA H 3.771 0.017 1 758 676 94 VAL HB H 0.787 0.01 1 759 676 94 VAL HG1 H 0.385 0.012 1 760 676 94 VAL HG2 H -0.279 0.004 1 761 676 94 VAL C C 175.26 0.019 1 762 676 94 VAL CA C 61.209 0.039 1 763 676 94 VAL CB C 33.075 0.052 1 764 676 94 VAL CG1 C 21.596 0.026 1 765 676 94 VAL CG2 C 21.232 0.032 1 766 676 94 VAL N N 128.475 0.032 1 767 677 95 ASN H H 8.965 0.005 1 768 677 95 ASN HA H 5.233 0.006 1 769 677 95 ASN HB2 H 2.949 0.004 2 770 677 95 ASN HB3 H 2.674 0.014 2 771 677 95 ASN C C 174.773 0.009 1 772 677 95 ASN CA C 54.697 0.076 1 773 677 95 ASN CB C 38.272 0.008 1 774 677 95 ASN N N 129.79 0.021 1 775 678 96 ASP H H 6.676 0.007 1 776 678 96 ASP HA H 4.865 0.022 1 777 678 96 ASP HB2 H 2.789 0.095 2 778 678 96 ASP HB3 H 2.567 0.029 2 779 678 96 ASP C C 178.446 0.018 1 780 678 96 ASP CA C 53.29 0.057 1 781 678 96 ASP CB C 42.364 0 1 782 678 96 ASP N N 113.62 0.03 1 783 679 97 ILE H H 7.403 0.011 1 784 679 97 ILE HA H 3.51 0.004 1 785 679 97 ILE HB H 1.645 0.012 1 786 679 97 ILE HG12 H 0.744 0.008 2 787 679 97 ILE HG13 H 0.012 0.01 2 788 679 97 ILE HG2 H 0.9 0.005 1 789 679 97 ILE HD1 H 0.604 0.012 1 790 679 97 ILE C C 174.662 0.017 1 791 679 97 ILE CA C 64.62 0.07 1 792 679 97 ILE CB C 38.492 0.038 1 793 679 97 ILE CG1 C 25.118 0.009 1 794 679 97 ILE CG2 C 19.269 0.037 1 795 679 97 ILE CD1 C 15.291 0.035 1 796 679 97 ILE N N 118.654 0.019 1 797 680 98 TYR H H 8.316 0.011 1 798 680 98 TYR HA H 4.391 0.01 1 799 680 98 TYR HB2 H 3.338 0.005 2 800 680 98 TYR HB3 H 3.338 0.005 2 801 680 98 TYR HD1 H 7.354 0.014 3 802 680 98 TYR HD2 H 7.354 0.014 3 803 680 98 TYR HE1 H 6.811 0.015 3 804 680 98 TYR HE2 H 6.811 0.015 3 805 680 98 TYR C C 177.324 0.012 1 806 680 98 TYR CA C 59.664 0.119 1 807 680 98 TYR CB C 37.558 0.072 1 808 680 98 TYR N N 116.785 0.011 1 809 681 99 GLN H H 7.506 0.004 1 810 681 99 GLN HA H 4.762 0.001 1 811 681 99 GLN C C 176.207 0.008 1 812 681 99 GLN CA C 55.037 0 1 813 681 99 GLN CB C 30.261 0 1 814 681 99 GLN N N 116.959 0.052 1 815 682 100 VAL H H 7.469 0.004 1 816 682 100 VAL HA H 4.47 0.006 1 817 682 100 VAL HB H 2.157 0.003 1 818 682 100 VAL HG1 H 0.642 0.006 1 819 682 100 VAL HG2 H 0.099 0.006 1 820 682 100 VAL C C 175.702 0.004 1 821 682 100 VAL CA C 61.241 0.044 1 822 682 100 VAL CB C 32.85 0.058 1 823 682 100 VAL CG1 C 21.47 0.039 1 824 682 100 VAL CG2 C 17.809 0.016 1 825 682 100 VAL N N 111.744 0.045 1 826 683 101 GLY H H 8.465 0.005 1 827 683 101 GLY HA2 H 4.063 0.015 2 828 683 101 GLY HA3 H 3.766 0.014 2 829 683 101 GLY C C 175.715 0.005 1 830 683 101 GLY CA C 46.099 0.052 1 831 683 101 GLY N N 113.107 0.023 1 832 684 102 HIS H H 8.671 0.004 1 833 684 102 HIS HA H 5.219 0.008 1 834 684 102 HIS HB2 H 3.049 0.012 2 835 684 102 HIS HB3 H 3.049 0.012 2 836 684 102 HIS HD2 H 5.934 0.01 1 837 684 102 HIS C C 177.279 0.009 1 838 684 102 HIS CA C 54.009 0.057 1 839 684 102 HIS CB C 31.751 0.048 1 840 684 102 HIS N N 120.558 0.016 1 841 685 103 SER H H 9.768 0.005 1 842 685 103 SER HB2 H 4.796 0 2 843 685 103 SER HB3 H 4.796 0 2 844 685 103 SER CA C 57.122 0 1 845 685 103 SER CB C 64.047 0 1 846 685 103 SER N N 117.991 0.052 1 847 686 104 PRO HA H 4.28 0.01 1 848 686 104 PRO HB2 H 2.439 0.002 2 849 686 104 PRO HB3 H 1.984 0 2 850 686 104 PRO C C 178.619 0 1 851 686 104 PRO CA C 66.353 0.06 1 852 686 104 PRO CB C 31.69 0 1 853 687 105 CYS H H 7.963 0.011 1 854 687 105 CYS HA H 3.901 0.021 1 855 687 105 CYS HB2 H 2.585 0.011 2 856 687 105 CYS HB3 H 2.585 0.011 2 857 687 105 CYS C C 176.245 0.022 1 858 687 105 CYS CA C 58.391 0.068 1 859 687 105 CYS CB C 29.451 0.002 1 860 687 105 CYS N N 111.425 0.017 1 861 688 106 HIS H H 7.397 0.005 1 862 688 106 HIS HA H 4.249 0.023 1 863 688 106 HIS HB2 H 2.862 0.002 2 864 688 106 HIS HB3 H 2.862 0.002 2 865 688 106 HIS HD2 H 6.338 0.008 1 866 688 106 HIS C C 177.707 0.006 1 867 688 106 HIS CA C 56.451 0.069 1 868 688 106 HIS CB C 34.017 0.038 1 869 688 106 HIS N N 122.718 0.031 1 870 689 107 ILE H H 8.004 0.01 1 871 689 107 ILE HA H 3.487 0.013 1 872 689 107 ILE HB H 2.129 0.003 1 873 689 107 ILE HG12 H 1.591 0.011 2 874 689 107 ILE HG13 H 1.052 0.003 2 875 689 107 ILE HG2 H 0.922 0.003 1 876 689 107 ILE HD1 H 0.763 0.003 1 877 689 107 ILE C C 177.512 0 1 878 689 107 ILE CA C 64.651 0.051 1 879 689 107 ILE CB C 36.926 0.007 1 880 689 107 ILE CG1 C 28.766 0.035 1 881 689 107 ILE CG2 C 18.086 0.04 1 882 689 107 ILE CD1 C 12.035 0.015 1 883 689 107 ILE N N 118.426 0.001 1 884 690 108 GLU H H 8.352 0.009 1 885 690 108 GLU HA H 4.174 0.009 1 886 690 108 GLU HB2 H 2.246 0.011 2 887 690 108 GLU HB3 H 2.246 0.011 2 888 690 108 GLU HG2 H 2.702 0.003 2 889 690 108 GLU HG3 H 2.702 0.003 2 890 690 108 GLU C C 180.118 0.013 1 891 690 108 GLU CA C 60.794 0.074 1 892 690 108 GLU CB C 29.673 0.029 1 893 690 108 GLU CG C 38.073 0.012 1 894 690 108 GLU N N 117.287 0.025 1 895 691 109 ILE H H 7.629 0.006 1 896 691 109 ILE HA H 4.157 0.014 1 897 691 109 ILE HB H 2.056 0.006 1 898 691 109 ILE HG12 H 2.302 0.016 2 899 691 109 ILE HG13 H 1.25 0.012 2 900 691 109 ILE HG2 H 0.922 0.009 1 901 691 109 ILE HD1 H 1.037 0.013 1 902 691 109 ILE C C 176.62 0 1 903 691 109 ILE CA C 65.921 0.049 1 904 691 109 ILE CB C 38.911 0.063 1 905 691 109 ILE CG1 C 29.589 0.012 1 906 691 109 ILE CG2 C 17.624 0.068 1 907 691 109 ILE CD1 C 15.304 0.009 1 908 691 109 ILE N N 119.92 0.032 1 909 692 110 LEU H H 8.022 0.011 1 910 692 110 LEU HA H 3.932 0.013 1 911 692 110 LEU HB2 H 2.081 0.014 2 912 692 110 LEU HB3 H 1.211 0 2 913 692 110 LEU HD1 H 0.57 0.006 1 914 692 110 LEU HD2 H 0.747 0.009 1 915 692 110 LEU C C 179.914 0.022 1 916 692 110 LEU CA C 58.744 0 1 917 692 110 LEU CB C 41.327 0.033 1 918 692 110 LEU CD1 C 26.56 0.024 1 919 692 110 LEU CD2 C 23.874 0.031 1 920 692 110 LEU N N 120.059 0.028 1 921 693 111 GLU H H 9.198 0.009 1 922 693 111 GLU HA H 3.976 0.008 1 923 693 111 GLU C C 181.154 0.01 1 924 693 111 GLU CA C 59.039 0.027 1 925 693 111 GLU CB C 29.834 0 1 926 693 111 GLU N N 118.338 0.04 1 927 694 112 GLN H H 7.935 0.007 1 928 694 112 GLN HA H 3.746 0.018 1 929 694 112 GLN HB2 H 1.92 0.005 2 930 694 112 GLN HB3 H 1.92 0.005 2 931 694 112 GLN HG2 H 2.416 0.003 2 932 694 112 GLN HG3 H 2.416 0.003 2 933 694 112 GLN C C 176.456 0.001 1 934 694 112 GLN CA C 58.903 0.072 1 935 694 112 GLN CB C 26.398 0.024 1 936 694 112 GLN N N 123.778 0.021 1 937 695 113 PHE H H 6.828 0.013 1 938 695 113 PHE HA H 4.462 0.011 1 939 695 113 PHE HB2 H 2.98 0.007 2 940 695 113 PHE HB3 H 2.16 0.004 2 941 695 113 PHE HD1 H 7.096 0.008 3 942 695 113 PHE HD2 H 7.096 0.008 3 943 695 113 PHE HE1 H 7.31 0.012 3 944 695 113 PHE HE2 H 7.31 0.012 3 945 695 113 PHE HZ H 6.912 0.004 1 946 695 113 PHE C C 174.071 0.015 1 947 695 113 PHE CA C 57.592 0.064 1 948 695 113 PHE CB C 38.235 0.012 1 949 695 113 PHE N N 112.887 0.023 1 950 696 114 GLU H H 7.974 0.007 1 951 696 114 GLU HA H 3.822 0.005 1 952 696 114 GLU C C 173.577 0.021 1 953 696 114 GLU CA C 58.019 0.083 1 954 696 114 GLU CB C 26.456 0 1 955 696 114 GLU N N 114.43 0.014 1 956 697 115 VAL H H 7.766 0.003 1 957 697 115 VAL HA H 3.564 0.009 1 958 697 115 VAL HB H 1.883 0.006 1 959 697 115 VAL HG1 H 1.226 0.009 1 960 697 115 VAL HG2 H 0.827 0.004 1 961 697 115 VAL C C 177.003 0.008 1 962 697 115 VAL CA C 64.47 0.017 1 963 697 115 VAL CB C 33.255 0 1 964 697 115 VAL CG1 C 24.796 0.036 1 965 697 115 VAL CG2 C 22.806 0.039 1 966 697 115 VAL N N 117.102 0.024 1 967 698 116 LYS H H 9.153 0.008 1 968 698 116 LYS HA H 4.632 0 1 969 698 116 LYS C C 176.795 0.019 1 970 698 116 LYS CA C 56.221 0 1 971 698 116 LYS CB C 33.898 0 1 972 698 116 LYS N N 121.098 0.022 1 973 699 117 ALA H H 8.661 0.009 1 974 699 117 ALA HA H 4.558 0.008 1 975 699 117 ALA HB H 1.823 0.011 1 976 699 117 ALA C C 175.965 0.005 1 977 699 117 ALA CA C 52.869 0.088 1 978 699 117 ALA CB C 23.978 0.037 1 979 699 117 ALA N N 123.995 0.036 1 980 700 118 TYR H H 9.837 0.009 1 981 700 118 TYR HA H 5.781 0.008 1 982 700 118 TYR HB2 H 3.398 0.016 2 983 700 118 TYR HB3 H 2.389 0.001 2 984 700 118 TYR HD1 H 6.651 0.021 3 985 700 118 TYR HD2 H 6.651 0.021 3 986 700 118 TYR HE1 H 6.703 0.019 3 987 700 118 TYR HE2 H 6.703 0.019 3 988 700 118 TYR C C 170.561 0.021 1 989 700 118 TYR CA C 57.672 0.088 1 990 700 118 TYR CB C 41.832 0.034 1 991 700 118 TYR N N 118.063 0.025 1 992 701 119 VAL H H 8.501 0.009 1 993 701 119 VAL HA H 4.697 0.007 1 994 701 119 VAL HB H 0.865 0.012 1 995 701 119 VAL HG1 H 0.363 0.007 1 996 701 119 VAL HG2 H -0.476 0.01 1 997 701 119 VAL C C 173.207 0.017 1 998 701 119 VAL CA C 59.709 0.065 1 999 701 119 VAL CB C 35.125 0.067 1 1000 701 119 VAL CG1 C 21.933 0.036 1 1001 701 119 VAL CG2 C 20.47 0.013 1 1002 701 119 VAL N N 117.83 0.026 1 1003 702 120 ILE H H 9.133 0.008 1 1004 702 120 ILE HA H 4.98 0.007 1 1005 702 120 ILE HB H 2.516 0.012 1 1006 702 120 ILE HG12 H 1.808 0.005 2 1007 702 120 ILE HG13 H 1.808 0.005 2 1008 702 120 ILE HG2 H 0.57 0.004 1 1009 702 120 ILE HD1 H 0.706 0.008 1 1010 702 120 ILE C C 175.799 0.005 1 1011 702 120 ILE CA C 58.135 0.067 1 1012 702 120 ILE CB C 38.69 0.016 1 1013 702 120 ILE CG1 C 27 0 1 1014 702 120 ILE CG2 C 20.637 0.023 1 1015 702 120 ILE CD1 C 10.898 0.025 1 1016 702 120 ILE N N 125.06 0.037 1 1017 703 121 VAL H H 8.761 0.019 1 1018 703 121 VAL HA H 5.502 0.012 1 1019 703 121 VAL HB H 2.47 0.005 1 1020 703 121 VAL HG1 H 0.811 0.005 1 1021 703 121 VAL HG2 H 0.923 0.005 1 1022 703 121 VAL C C 173.069 0 1 1023 703 121 VAL CA C 56.894 0.077 1 1024 703 121 VAL CB C 32.287 0.085 1 1025 703 121 VAL CG1 C 20.526 0.089 1 1026 703 121 VAL CG2 C 19.8 0.034 1 1027 703 121 VAL N N 117.284 0.025 1 1028 704 122 PRO HA H 4.712 0.009 1 1029 704 122 PRO HB2 H 2.349 0.007 2 1030 704 122 PRO HB3 H 1.983 0.006 2 1031 704 122 PRO HD2 H 4.374 0.003 2 1032 704 122 PRO HD3 H 4.143 0.003 2 1033 704 122 PRO C C 176.074 0 1 1034 704 122 PRO CA C 62.438 0.06 1 1035 705 123 VAL H H 8.262 0.018 1 1036 705 123 VAL HA H 4.177 0.011 1 1037 705 123 VAL HB H 1.963 0.005 1 1038 705 123 VAL HG1 H 0.82 0.005 1 1039 705 123 VAL HG2 H 0.825 0 1 1040 705 123 VAL C C 174.559 0 1 1041 705 123 VAL CA C 61.655 0.087 1 1042 705 123 VAL CB C 33.258 0 1 1043 705 123 VAL N N 120.689 0.056 1 1044 706 124 PHE H H 9.455 0.006 1 1045 706 124 PHE HA H 5.139 0.011 1 1046 706 124 PHE HB2 H 3.126 0 2 1047 706 124 PHE HB3 H 3.031 0 2 1048 706 124 PHE HD1 H 7.17 0.014 3 1049 706 124 PHE HD2 H 7.17 0.014 3 1050 706 124 PHE HE1 H 7.413 0.016 3 1051 706 124 PHE HE2 H 7.413 0.016 3 1052 706 124 PHE C C 175.278 0.013 1 1053 706 124 PHE CA C 58.171 0.029 1 1054 706 124 PHE CB C 40.171 0.068 1 1055 706 124 PHE N N 127.866 0.034 1 1056 707 125 ALA H H 8.993 0.009 1 1057 707 125 ALA HA H 4.705 0.004 1 1058 707 125 ALA HB H 1.261 0.004 1 1059 707 125 ALA C C 177.15 0.014 1 1060 707 125 ALA CA C 50.037 0.319 1 1061 707 125 ALA CB C 19.476 0.02 1 1062 707 125 ALA N N 126.438 0.025 1 1063 708 126 GLY H H 8.87 0.007 1 1064 708 126 GLY HA2 H 4.041 0.012 2 1065 708 126 GLY HA3 H 3.645 0.006 2 1066 708 126 GLY C C 174.856 0.014 1 1067 708 126 GLY CA C 46.892 0.03 1 1068 708 126 GLY N N 114.891 0.018 1 1069 709 127 GLU H H 9.033 0.006 1 1070 709 127 GLU HA H 4.293 0.003 1 1071 709 127 GLU HB2 H 2.284 0.01 2 1072 709 127 GLU HB3 H 2.031 0.017 2 1073 709 127 GLU HG2 H 2.3 0.001 2 1074 709 127 GLU HG3 H 2.3 0.001 2 1075 709 127 GLU C C 176.007 0.018 1 1076 709 127 GLU CA C 56.944 0.014 1 1077 709 127 GLU CB C 29.806 0 1 1078 709 127 GLU CG C 36.197 0 1 1079 709 127 GLU N N 123.673 0.035 1 1080 710 128 GLN H H 7.791 0.005 1 1081 710 128 GLN HA H 4.669 0.007 1 1082 710 128 GLN HB2 H 2.307 0.004 2 1083 710 128 GLN HB3 H 2.195 0.001 2 1084 710 128 GLN HG2 H 2.39 0 2 1085 710 128 GLN HG3 H 2.39 0 2 1086 710 128 GLN C C 174.995 0.005 1 1087 710 128 GLN CA C 54.81 0.039 1 1088 710 128 GLN CB C 31.005 0.017 1 1089 710 128 GLN CG C 33.551 0 1 1090 710 128 GLN N N 119.183 0.036 1 1091 711 129 LEU H H 9.042 0.006 1 1092 711 129 LEU HA H 3.806 0.01 1 1093 711 129 LEU HB2 H 2.076 0.01 2 1094 711 129 LEU HB3 H 1.181 0.013 2 1095 711 129 LEU HG H 1.589 0.009 1 1096 711 129 LEU HD1 H 0.56 0.008 1 1097 711 129 LEU HD2 H 0.745 0.009 1 1098 711 129 LEU C C 173.344 0.019 1 1099 711 129 LEU CA C 55.749 0.012 1 1100 711 129 LEU CB C 40.459 0.159 1 1101 711 129 LEU CG C 27.196 0 1 1102 711 129 LEU CD1 C 23.016 0.029 1 1103 711 129 LEU CD2 C 27.427 0.04 1 1104 711 129 LEU N N 128.274 0.018 1 1105 712 130 TRP H H 9.188 0.01 1 1106 712 130 TRP HA H 4.368 0.005 1 1107 712 130 TRP HB2 H 3.217 0.014 2 1108 712 130 TRP HB3 H 3.217 0.014 2 1109 712 130 TRP HD1 H 7.259 0.018 1 1110 712 130 TRP HE1 H 10.257 0.005 1 1111 712 130 TRP HZ2 H 7.488 0 1 1112 712 130 TRP HZ3 H 6.554 0 1 1113 712 130 TRP HH2 H 6.739 0.009 1 1114 712 130 TRP C C 177.578 0.003 1 1115 712 130 TRP CA C 59.93 0.116 1 1116 712 130 TRP CB C 31.834 0.013 1 1117 712 130 TRP CE2 C 139.183 0 1 1118 712 130 TRP N N 132.549 0.033 1 1119 712 130 TRP NE1 N 129.541 0.023 1 1120 713 131 GLY H H 8.427 0.004 1 1121 713 131 GLY HA2 H 4.773 0.004 2 1122 713 131 GLY HA3 H 3.848 0.005 2 1123 713 131 GLY C C 170.381 0 1 1124 713 131 GLY CA C 47.174 0.039 1 1125 713 131 GLY N N 105.183 0.035 1 1126 714 132 LEU H H 9.272 0.005 1 1127 714 132 LEU HA H 5.085 0.008 1 1128 714 132 LEU HB2 H 1.199 0.034 2 1129 714 132 LEU HB3 H 1.199 0.034 2 1130 714 132 LEU HG H 1.134 0.007 1 1131 714 132 LEU HD1 H 0.114 0.01 1 1132 714 132 LEU HD2 H 0.532 0.008 1 1133 714 132 LEU C C 174.502 0.023 1 1134 714 132 LEU CA C 53.186 0.041 1 1135 714 132 LEU CB C 45.598 0.002 1 1136 714 132 LEU CG C 26.482 0.02 1 1137 714 132 LEU CD1 C 24.545 0.028 1 1138 714 132 LEU CD2 C 23.774 0.018 1 1139 714 132 LEU N N 117.296 0.028 1 1140 715 133 LEU H H 8.954 0.012 1 1141 715 133 LEU HA H 5.005 0.007 1 1142 715 133 LEU HB2 H 1.78 0.012 2 1143 715 133 LEU HB3 H 0.901 0.012 2 1144 715 133 LEU HG H 1.311 0.01 1 1145 715 133 LEU HD1 H 0.711 0.004 1 1146 715 133 LEU HD2 H 0.672 0.009 1 1147 715 133 LEU C C 172.622 0.028 1 1148 715 133 LEU CA C 54.178 0.113 1 1149 715 133 LEU CB C 44.135 0.083 1 1150 715 133 LEU CG C 27.44 0.001 1 1151 715 133 LEU CD1 C 23.702 0.029 1 1152 715 133 LEU CD2 C 27.016 0.03 1 1153 715 133 LEU N N 124.097 0.012 1 1154 716 134 ALA H H 8.899 0.01 1 1155 716 134 ALA HA H 5.372 0.009 1 1156 716 134 ALA HB H 1.131 0.01 1 1157 716 134 ALA C C 174.418 0.004 1 1158 716 134 ALA CA C 50.151 0.013 1 1159 716 134 ALA CB C 25.467 0.032 1 1160 716 134 ALA N N 129.268 0.024 1 1161 717 135 ALA H H 8.82 0.012 1 1162 717 135 ALA HA H 5.094 0.007 1 1163 717 135 ALA HB H 1.145 0.004 1 1164 717 135 ALA C C 174.884 0.023 1 1165 717 135 ALA CA C 50.315 0.051 1 1166 717 135 ALA CB C 22.492 0.039 1 1167 717 135 ALA N N 124.104 0.021 1 1168 718 136 TYR H H 9.207 0.004 1 1169 718 136 TYR HA H 5.419 0.013 1 1170 718 136 TYR HB2 H 3.058 0.003 2 1171 718 136 TYR HB3 H 2.886 0.004 2 1172 718 136 TYR HD1 H 6.838 0.008 3 1173 718 136 TYR HD2 H 6.838 0.008 3 1174 718 136 TYR HE1 H 6.742 0.022 3 1175 718 136 TYR HE2 H 6.742 0.022 3 1176 718 136 TYR C C 175.579 0.017 1 1177 718 136 TYR CA C 58.041 0.148 1 1178 718 136 TYR CB C 42.529 0.039 1 1179 718 136 TYR N N 116.018 0 1 1180 719 137 GLN H H 9.653 0.007 1 1181 719 137 GLN HA H 4.515 0.004 1 1182 719 137 GLN HB2 H 1.987 0.004 2 1183 719 137 GLN HB3 H 1.987 0.004 2 1184 719 137 GLN HG2 H 2.317 0.014 2 1185 719 137 GLN HG3 H 2.317 0.014 2 1186 719 137 GLN C C 173.581 0.014 1 1187 719 137 GLN CA C 55.691 0.095 1 1188 719 137 GLN CB C 32.118 0 1 1189 719 137 GLN CG C 33.845 0 1 1190 719 137 GLN N N 126.357 0.024 1 1191 720 138 ASN H H 11.362 0.004 1 1192 720 138 ASN HA H 5.179 0.003 1 1193 720 138 ASN HB2 H 1.63 0.005 2 1194 720 138 ASN HB3 H 0.548 0.009 2 1195 720 138 ASN C C 176.362 0 1 1196 720 138 ASN CA C 52.23 0.055 1 1197 720 138 ASN CB C 36.577 0.008 1 1198 720 138 ASN N N 128.553 0.031 1 1199 721 139 SER H H 8.162 0.004 1 1200 721 139 SER HA H 4.403 0 1 1201 721 139 SER HB2 H 3.88 0.003 2 1202 721 139 SER HB3 H 3.88 0.003 2 1203 721 139 SER C C 174.462 0 1 1204 721 139 SER CA C 59.473 0.041 1 1205 721 139 SER CB C 63.474 0.017 1 1206 721 139 SER N N 114.49 0.039 1 1207 722 140 GLY H H 7.186 0.009 1 1208 722 140 GLY HA2 H 4.053 0.019 2 1209 722 140 GLY HA3 H 4.053 0.019 2 1210 722 140 GLY C C 170.923 0.015 1 1211 722 140 GLY CA C 44.584 0.01 1 1212 722 140 GLY N N 107.741 0.027 1 1213 723 141 THR H H 7.651 0.005 1 1214 723 141 THR HA H 3.968 0.013 1 1215 723 141 THR HB H 4.579 0.004 1 1216 723 141 THR HG2 H 1.377 0.008 1 1217 723 141 THR C C 173.39 0.011 1 1218 723 141 THR CA C 62.482 0.032 1 1219 723 141 THR CB C 69.33 0.006 1 1220 723 141 THR CG2 C 22.572 0.022 1 1221 723 141 THR N N 106.683 0.007 1 1222 724 142 ARG H H 7.971 0.006 1 1223 724 142 ARG HA H 3.944 0.019 1 1224 724 142 ARG HB2 H 0.717 0.005 2 1225 724 142 ARG HB3 H 0.44 0.004 2 1226 724 142 ARG HG2 H -0.293 0.011 2 1227 724 142 ARG HG3 H -0.293 0.011 2 1228 724 142 ARG HD2 H 2.179 0.026 2 1229 724 142 ARG HD3 H 2.179 0.026 2 1230 724 142 ARG HE H 7.177 0.004 1 1231 724 142 ARG C C 171.613 0.004 1 1232 724 142 ARG CA C 55.975 0.061 1 1233 724 142 ARG CB C 33.105 0.032 1 1234 724 142 ARG CG C 25.383 0.028 1 1235 724 142 ARG CD C 42.806 0.051 1 1236 724 142 ARG CZ C 158.721 0 1 1237 724 142 ARG N N 120.761 0.043 1 1238 724 142 ARG NE N 87.719 0.024 1 1239 725 143 ASP H H 8.134 0.003 1 1240 725 143 ASP HA H 4.688 0.006 1 1241 725 143 ASP HB2 H 2.504 0.016 2 1242 725 143 ASP HB3 H 2.362 0.007 2 1243 725 143 ASP C C 176.12 0.003 1 1244 725 143 ASP CA C 51.549 0.1 1 1245 725 143 ASP CB C 38.699 0 1 1246 725 143 ASP N N 125.564 0.038 1 1247 726 144 TRP H H 7.201 0.009 1 1248 726 144 TRP HA H 4.422 0.005 1 1249 726 144 TRP HB2 H 2.885 0.01 2 1250 726 144 TRP HB3 H 2.718 0.003 2 1251 726 144 TRP HD1 H 7.307 0.008 1 1252 726 144 TRP HE1 H 8.5 0.004 1 1253 726 144 TRP HE3 H 6.66 0.009 1 1254 726 144 TRP HZ2 H 6.898 0.012 1 1255 726 144 TRP HH2 H 6.697 0.01 1 1256 726 144 TRP C C 176.207 0.022 1 1257 726 144 TRP CA C 56.974 0.024 1 1258 726 144 TRP CB C 29.252 0.015 1 1259 726 144 TRP CE2 C 138.912 0 1 1260 726 144 TRP N N 126.752 0.03 1 1261 726 144 TRP NE1 N 127.459 0.017 1 1262 727 145 ASP H H 9.565 0.005 1 1263 727 145 ASP HA H 4.886 0.009 1 1264 727 145 ASP HB2 H 2.882 0.004 2 1265 727 145 ASP HB3 H 2.598 0.008 2 1266 727 145 ASP C C 177.332 0.029 1 1267 727 145 ASP CA C 53.34 0.046 1 1268 727 145 ASP CB C 43.948 0.033 1 1269 727 145 ASP N N 126.923 0.018 1 1270 728 146 GLU H H 9.004 0.015 1 1271 728 146 GLU HA H 4.015 0.002 1 1272 728 146 GLU HB2 H 2.126 0 2 1273 728 146 GLU HB3 H 2.126 0 2 1274 728 146 GLU HG2 H 2.369 0.003 2 1275 728 146 GLU HG3 H 2.369 0.003 2 1276 728 146 GLU C C 178.821 0 1 1277 728 146 GLU CA C 60.253 0 1 1278 728 146 GLU CB C 29.757 0 1 1279 728 146 GLU CG C 35.937 0 1 1280 728 146 GLU N N 124.722 0.018 1 1281 729 147 SER H H 8.892 0.003 1 1282 729 147 SER HA H 4.234 0.01 1 1283 729 147 SER HB2 H 3.98 0 2 1284 729 147 SER HB3 H 3.98 0 2 1285 729 147 SER C C 177.215 0 1 1286 729 147 SER CA C 61.7 0.037 1 1287 729 147 SER CB C 62.507 0 1 1288 729 147 SER N N 115.491 0.038 1 1289 730 148 GLU H H 7.751 0.006 1 1290 730 148 GLU HA H 4.055 0.014 1 1291 730 148 GLU HB2 H 2.125 0 2 1292 730 148 GLU HB3 H 2.125 0 2 1293 730 148 GLU HG2 H 2.362 0 2 1294 730 148 GLU HG3 H 2.362 0 2 1295 730 148 GLU C C 177.572 0.01 1 1296 730 148 GLU CA C 59.115 0.041 1 1297 730 148 GLU CB C 29.673 0.111 1 1298 730 148 GLU CG C 36.094 0 1 1299 730 148 GLU N N 124.885 0.029 1 1300 731 149 VAL H H 7.797 0 1 1301 731 149 VAL HA H 3.331 0.012 1 1302 731 149 VAL HB H 2.151 0.004 1 1303 731 149 VAL HG1 H 0.801 0.016 1 1304 731 149 VAL HG2 H 0.943 0.007 1 1305 731 149 VAL C C 177.67 0.01 1 1306 731 149 VAL CA C 67.082 0.09 1 1307 731 149 VAL CB C 31.983 0.052 1 1308 731 149 VAL CG1 C 20.541 0.054 1 1309 731 149 VAL CG2 C 22.445 0.038 1 1310 731 149 VAL N N 119.686 0 1 1311 732 150 THR H H 8.426 0.004 1 1312 732 150 THR HA H 3.913 0.009 1 1313 732 150 THR HB H 4.208 0.015 1 1314 732 150 THR HG2 H 1.273 0.006 1 1315 732 150 THR C C 176.745 0 1 1316 732 150 THR CA C 66.586 0.096 1 1317 732 150 THR CB C 68.797 0.002 1 1318 732 150 THR CG2 C 21.934 0.092 1 1319 732 150 THR N N 114.257 0.017 1 1320 733 151 LEU H H 7.646 0.004 1 1321 733 151 LEU HA H 4.11 0.014 1 1322 733 151 LEU HB2 H 1.89 0.014 2 1323 733 151 LEU HB3 H 1.89 0.014 2 1324 733 151 LEU HG H 1.676 0.008 1 1325 733 151 LEU HD1 H 0.969 0.005 1 1326 733 151 LEU HD2 H 0.93 0.005 1 1327 733 151 LEU C C 178.149 0.005 1 1328 733 151 LEU CA C 58.797 0.077 1 1329 733 151 LEU CB C 41.776 0.038 1 1330 733 151 LEU CG C 27.407 0 1 1331 733 151 LEU CD1 C 24.472 0.046 1 1332 733 151 LEU CD2 C 25.407 0.003 1 1333 733 151 LEU N N 123.458 0.022 1 1334 734 152 LEU H H 8.088 0.015 1 1335 734 152 LEU HA H 3.851 0.01 1 1336 734 152 LEU HB2 H 1.819 0.003 2 1337 734 152 LEU HB3 H 1.482 0.012 2 1338 734 152 LEU HG H 1.576 0.008 1 1339 734 152 LEU HD1 H 0.712 0.007 1 1340 734 152 LEU HD2 H 0.627 0.007 1 1341 734 152 LEU C C 178.464 0.001 1 1342 734 152 LEU CA C 58.349 0.101 1 1343 734 152 LEU CB C 41.777 0 1 1344 734 152 LEU CG C 26.451 0.039 1 1345 734 152 LEU CD1 C 25.218 0.045 1 1346 734 152 LEU CD2 C 26.474 0.065 1 1347 734 152 LEU N N 120.261 0.044 1 1348 735 153 ALA H H 8.824 0.012 1 1349 735 153 ALA HA H 4.148 0.008 1 1350 735 153 ALA HB H 1.629 0.01 1 1351 735 153 ALA C C 181.031 0.001 1 1352 735 153 ALA CA C 55.148 0.072 1 1353 735 153 ALA CB C 17.958 0.058 1 1354 735 153 ALA N N 121.19 0.033 1 1355 736 154 ARG H H 8.423 0.01 1 1356 736 154 ARG HA H 4.219 0.013 1 1357 736 154 ARG HB2 H 2.119 0.005 2 1358 736 154 ARG HB3 H 2.119 0.005 2 1359 736 154 ARG HG2 H 1.688 0.002 2 1360 736 154 ARG HG3 H 1.688 0.002 2 1361 736 154 ARG HD2 H 3.242 0.012 2 1362 736 154 ARG HD3 H 3.242 0.012 2 1363 736 154 ARG C C 179.76 0.006 1 1364 736 154 ARG CA C 59.741 0.06 1 1365 736 154 ARG CB C 29.849 0.076 1 1366 736 154 ARG CG C 26.766 0 1 1367 736 154 ARG CD C 43.665 0.037 1 1368 736 154 ARG N N 120.516 0.022 1 1369 737 155 ILE H H 8.5 0.012 1 1370 737 155 ILE HA H 3.763 0.012 1 1371 737 155 ILE HB H 1.972 0.038 1 1372 737 155 ILE HG12 H 1.701 0.006 2 1373 737 155 ILE HG13 H 1.29 0.012 2 1374 737 155 ILE HG2 H 0.786 0.006 1 1375 737 155 ILE HD1 H 0.762 0.01 1 1376 737 155 ILE C C 178.644 0.018 1 1377 737 155 ILE CA C 64.946 0.032 1 1378 737 155 ILE CB C 36.515 0.033 1 1379 737 155 ILE CG2 C 17.645 0.018 1 1380 737 155 ILE CD1 C 12.705 0.016 1 1381 737 155 ILE N N 122.512 0.031 1 1382 738 156 GLY H H 9.132 0.007 1 1383 738 156 GLY HA2 H 3.674 0.014 2 1384 738 156 GLY HA3 H 3.674 0.014 2 1385 738 156 GLY C C 174.771 0 1 1386 738 156 GLY CA C 48.013 0.04 1 1387 738 156 GLY N N 109.304 0.011 1 1388 739 157 ASN H H 8.165 0.011 1 1389 739 157 ASN HA H 4.985 0.013 1 1390 739 157 ASN HB2 H 3.097 0 2 1391 739 157 ASN HB3 H 3.037 0 2 1392 739 157 ASN C C 178.298 0.025 1 1393 739 157 ASN CA C 56.297 0.047 1 1394 739 157 ASN CB C 38.994 0.024 1 1395 739 157 ASN N N 119.889 0.019 1 1396 740 158 GLN H H 8.325 0.004 1 1397 740 158 GLN HA H 4.028 0.005 1 1398 740 158 GLN HB2 H 2.224 0 2 1399 740 158 GLN HB3 H 2.224 0 2 1400 740 158 GLN HG2 H 2.525 0.01 2 1401 740 158 GLN HG3 H 2.525 0.01 2 1402 740 158 GLN C C 178.829 0 1 1403 740 158 GLN CA C 58.895 0 1 1404 740 158 GLN CB C 28.297 0 1 1405 740 158 GLN CG C 34.105 0 1 1406 740 158 GLN N N 120.839 0.057 1 1407 741 159 LEU H H 8.888 0.005 1 1408 741 159 LEU HA H 4.094 0.034 1 1409 741 159 LEU HB2 H 2.033 0 2 1410 741 159 LEU HB3 H 1.667 0 2 1411 741 159 LEU HD1 H 0.852 0.01 1 1412 741 159 LEU HD2 H 0.87 0.014 1 1413 741 159 LEU C C 177.819 0.014 1 1414 741 159 LEU CA C 57.941 0.096 1 1415 741 159 LEU CB C 41.341 0 1 1416 741 159 LEU CD1 C 23.638 0.061 1 1417 741 159 LEU CD2 C 25.539 0.036 1 1418 741 159 LEU N N 122.968 0.012 1 1419 742 160 GLY H H 8.129 0.013 1 1420 742 160 GLY HA2 H 4.241 0.006 2 1421 742 160 GLY HA3 H 3.205 0.009 2 1422 742 160 GLY C C 176.008 0.028 1 1423 742 160 GLY CA C 47.867 0.048 1 1424 742 160 GLY N N 106.234 0.018 1 1425 743 161 LEU H H 7.922 0.011 1 1426 743 161 LEU HA H 4.25 0.024 1 1427 743 161 LEU HB2 H 1.863 0.008 2 1428 743 161 LEU HB3 H 1.589 0.011 2 1429 743 161 LEU HG H 1.644 0 1 1430 743 161 LEU HD1 H 0.945 0 1 1431 743 161 LEU HD2 H 0.945 0.002 1 1432 743 161 LEU C C 179.976 0.018 1 1433 743 161 LEU CA C 57.955 0.052 1 1434 743 161 LEU CB C 41.99 0.01 1 1435 743 161 LEU CG C 27.229 0 1 1436 743 161 LEU CD1 C 25.026 0 1 1437 743 161 LEU CD2 C 23.745 0.031 1 1438 743 161 LEU N N 121.094 0.043 1 1439 744 162 ALA H H 7.987 0.002 1 1440 744 162 ALA HA H 4.13 0.007 1 1441 744 162 ALA HB H 1.447 0.01 1 1442 744 162 ALA C C 180.933 0 1 1443 744 162 ALA CA C 54.796 0.01 1 1444 744 162 ALA CB C 17.899 0.049 1 1445 744 162 ALA N N 122.544 0.033 1 1446 745 163 LEU H H 8.187 0.015 1 1447 745 163 LEU HA H 3.841 0.013 1 1448 745 163 LEU HB2 H 1.499 0.016 2 1449 745 163 LEU HB3 H 0.846 0.01 2 1450 745 163 LEU HG H 1.375 0.006 1 1451 745 163 LEU HD1 H -0.677 0.007 1 1452 745 163 LEU HD2 H 0.381 0.01 1 1453 745 163 LEU C C 179.179 0.018 1 1454 745 163 LEU CA C 57.008 0.035 1 1455 745 163 LEU CB C 41.384 0.009 1 1456 745 163 LEU CG C 26.05 0.034 1 1457 745 163 LEU CD1 C 23.264 0.017 1 1458 745 163 LEU CD2 C 22.001 0.019 1 1459 745 163 LEU N N 119.056 0.047 1 1460 746 164 GLN H H 8.021 0.002 1 1461 746 164 GLN HA H 4.123 0.016 1 1462 746 164 GLN HB2 H 2.131 0 2 1463 746 164 GLN HB3 H 2.131 0 2 1464 746 164 GLN HG2 H 2.331 0.013 2 1465 746 164 GLN HG3 H 2.331 0.013 2 1466 746 164 GLN C C 177.432 0.003 1 1467 746 164 GLN CA C 58.34 0.014 1 1468 746 164 GLN CB C 29.456 0.038 1 1469 746 164 GLN CG C 34.044 0 1 1470 746 164 GLN N N 119.205 0 1 1471 747 165 GLN H H 7.88 0.003 1 1472 747 165 GLN HA H 4.3 0.006 1 1473 747 165 GLN HB2 H 2.198 0.005 2 1474 747 165 GLN HB3 H 2.198 0.005 2 1475 747 165 GLN HG2 H 2.5 0.002 2 1476 747 165 GLN HG3 H 2.5 0.002 2 1477 747 165 GLN C C 177.108 0.002 1 1478 747 165 GLN CA C 57.099 0.023 1 1479 747 165 GLN CB C 29.022 0 1 1480 747 165 GLN CG C 33.803 0 1 1481 747 165 GLN N N 117.285 0.02 1 1482 748 166 THR H H 7.894 0.009 1 1483 748 166 THR HA H 4.223 0 1 1484 748 166 THR HB H 4.171 0.005 1 1485 748 166 THR HG2 H 1.19 0.005 1 1486 748 166 THR C C 175.44 0.001 1 1487 748 166 THR CA C 64.127 0.067 1 1488 748 166 THR CB C 69.82 0.2 1 1489 748 166 THR CG2 C 21.751 0.031 1 1490 748 166 THR N N 113.314 0.041 1 1491 749 167 GLU H H 8.288 0.014 1 1492 749 167 GLU HA H 4.201 0.008 1 1493 749 167 GLU HB2 H 2.03 0.008 2 1494 749 167 GLU HB3 H 2.03 0.008 2 1495 749 167 GLU HG2 H 2.236 0.013 2 1496 749 167 GLU HG3 H 2.236 0.013 2 1497 749 167 GLU C C 177.437 0 1 1498 749 167 GLU CA C 58.201 0.041 1 1499 749 167 GLU CB C 29.575 0 1 1500 749 167 GLU CG C 36.407 0 1 1501 749 167 GLU N N 121.9 0.001 1 1502 750 168 TYR H H 8.009 0.009 1 1503 750 168 TYR HA H 4.482 0.006 1 1504 750 168 TYR HB2 H 3.095 0.005 2 1505 750 168 TYR HB3 H 3.095 0.005 2 1506 750 168 TYR HD1 H 7.12 0.007 3 1507 750 168 TYR HD2 H 7.12 0.007 3 1508 750 168 TYR HE1 H 6.844 0.007 3 1509 750 168 TYR HE2 H 6.844 0.007 3 1510 750 168 TYR C C 176.611 0.001 1 1511 750 168 TYR CA C 59.201 0.129 1 1512 750 168 TYR CB C 38.378 0.03 1 1513 750 168 TYR N N 119.875 0.02 1 1514 751 169 LEU H H 7.941 0.004 1 1515 751 169 LEU HA H 4.178 0.009 1 1516 751 169 LEU HB2 H 1.73 0.004 2 1517 751 169 LEU HB3 H 1.591 0.008 2 1518 751 169 LEU HG H 1.633 0.008 1 1519 751 169 LEU HD1 H 0.922 0.005 1 1520 751 169 LEU HD2 H 0.877 0.003 1 1521 751 169 LEU C C 178.017 0.002 1 1522 751 169 LEU CA C 56.167 0.068 1 1523 751 169 LEU CB C 42.016 0.016 1 1524 751 169 LEU CG C 27 0 1 1525 751 169 LEU CD1 C 25.14 0.025 1 1526 751 169 LEU CD2 C 23.512 0.035 1 1527 751 169 LEU N N 120.842 0.053 1 1528 752 170 GLN H H 8.077 0.01 1 1529 752 170 GLN HA H 4.231 0.003 1 1530 752 170 GLN HB2 H 2.105 0.005 2 1531 752 170 GLN HB3 H 2.105 0.005 2 1532 752 170 GLN HG2 H 2.43 0.004 2 1533 752 170 GLN HG3 H 2.43 0.004 2 1534 752 170 GLN C C 176.803 0.008 1 1535 752 170 GLN CA C 56.763 0.044 1 1536 752 170 GLN CB C 29.026 0 1 1537 752 170 GLN CG C 33.999 0 1 1538 752 170 GLN N N 118.903 0.028 1 1539 753 171 GLN H H 8.157 0 1 1540 753 171 GLN HA H 4.301 0.006 1 1541 753 171 GLN HB2 H 2.091 0.004 2 1542 753 171 GLN HB3 H 2.091 0.004 2 1543 753 171 GLN HG2 H 2.407 0.008 2 1544 753 171 GLN HG3 H 2.407 0.008 2 1545 753 171 GLN C C 176.766 0.003 1 1546 753 171 GLN CA C 56.67 0.017 1 1547 753 171 GLN CB C 29.108 0 1 1548 753 171 GLN CG C 33.9 0 1 1549 753 171 GLN N N 120.187 0.038 1 1550 754 172 VAL H H 8.071 0.005 1 1551 754 172 VAL HA H 4.046 0.007 1 1552 754 172 VAL HB H 2.056 0.006 1 1553 754 172 VAL HG1 H 0.899 0 1 1554 754 172 VAL HG2 H 0.897 0 1 1555 754 172 VAL C C 176.721 0.002 1 1556 754 172 VAL CA C 63.031 0.046 1 1557 754 172 VAL CB C 32.52 0.04 1 1558 754 172 VAL CG1 C 21.178 0 1 1559 754 172 VAL CG2 C 20.825 0 1 1560 754 172 VAL N N 120.137 0.023 1 1561 755 173 GLN H H 8.369 0.001 1 1562 755 173 GLN HA H 4.308 0.004 1 1563 755 173 GLN HB2 H 2.066 0.01 2 1564 755 173 GLN HB3 H 2.066 0.01 2 1565 755 173 GLN HG2 H 2.406 0.006 2 1566 755 173 GLN HG3 H 2.406 0.006 2 1567 755 173 GLN C C 176.786 0.012 1 1568 755 173 GLN CA C 56.485 0.051 1 1569 755 173 GLN CB C 29.223 0 1 1570 755 173 GLN CG C 33.866 0 1 1571 755 173 GLN N N 122.899 0.018 1 1572 756 174 GLY H H 8.362 0 1 1573 756 174 GLY HA2 H 3.978 0 2 1574 756 174 GLY HA3 H 3.978 0 2 1575 756 174 GLY C C 174.28 0.003 1 1576 756 174 GLY CA C 45.515 0.014 1 1577 756 174 GLY N N 109.618 0 1 1578 757 175 GLN H H 8.212 0 1 1579 757 175 GLN HA H 4.396 0.014 1 1580 757 175 GLN HB2 H 2.061 0.016 2 1581 757 175 GLN HB3 H 2.061 0.016 2 1582 757 175 GLN HG2 H 2.377 0.002 2 1583 757 175 GLN HG3 H 2.377 0.002 2 1584 757 175 GLN C C 176.156 0.001 1 1585 757 175 GLN CA C 55.955 0.027 1 1586 757 175 GLN CB C 29.524 0 1 1587 757 175 GLN CG C 33.824 0 1 1588 757 175 GLN N N 119.69 0 1 1589 758 176 SER H H 8.358 0 1 1590 758 176 SER HA H 4.435 0 1 1591 758 176 SER HB2 H 3.877 0 2 1592 758 176 SER HB3 H 3.877 0 2 1593 758 176 SER C C 174.07 0 1 1594 758 176 SER CA C 58.446 0.005 1 1595 758 176 SER CB C 63.982 0 1 1596 758 176 SER N N 116.942 0 1 1597 759 177 ALA H H 8.302 0 1 1598 759 177 ALA HA H 4.336 0.013 1 1599 759 177 ALA HB H 1.386 0.011 1 1600 759 177 ALA C C 177.295 0.006 1 1601 759 177 ALA CA C 52.388 0.038 1 1602 759 177 ALA CB C 19.319 0.033 1 1603 759 177 ALA N N 125.875 0.001 1 1604 760 178 LYS H H 8.301 0 1 1605 760 178 LYS HA H 4.616 0.002 1 1606 760 178 LYS HB3 H 1.819 0.039 2 1607 760 178 LYS HG2 H 1.471 0.006 2 1608 760 178 LYS HG3 H 1.471 0.006 2 1609 760 178 LYS HD2 H 1.698 0.003 2 1610 760 178 LYS HD3 H 1.698 0.003 2 1611 760 178 LYS HE2 H 3.014 0.003 2 1612 760 178 LYS HE3 H 3.014 0.003 2 1613 760 178 LYS C C 174.585 0 1 1614 760 178 LYS CA C 54.158 0.035 1 1615 760 178 LYS CB C 32.729 0.067 1 1616 760 178 LYS CG C 24.526 0.035 1 1617 760 178 LYS CD C 29.173 0.038 1 1618 760 178 LYS CE C 42.194 0.014 1 1619 760 178 LYS N N 122.153 0 1 1620 761 179 PRO HA H 4.445 0.001 1 1621 761 179 PRO HB3 H 2.182 0.149 2 1622 761 179 PRO HG2 H 2.04 0.008 2 1623 761 179 PRO HG3 H 2.04 0.008 2 1624 761 179 PRO HD2 H 3.823 0.001 2 1625 761 179 PRO HD3 H 3.679 0 2 1626 761 179 PRO C C 176.416 0 1 1627 761 179 PRO CA C 63.459 0.035 1 1628 761 179 PRO CB C 32.146 0.027 1 1629 761 179 PRO CG C 27.271 0.013 1 1630 761 179 PRO CD C 50.72 0.018 1 1631 762 180 GLY H H 8.015 0.005 1 1632 762 180 GLY HA2 H 3.766 0.007 2 1633 762 180 GLY HA3 H 3.766 0.007 2 1634 762 180 GLY C C 179.037 0 1 1635 762 180 GLY CA C 46.158 0.003 1 1636 762 180 GLY N N 115.486 0.026 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N TOCSY' '3D 1H-15N NOESY' '3D HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D HN(CA)CO' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Phycocyanobilin _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 1 800 1 CYC H2C H 2.66 0.011 1 2 800 1 CYC H3C H 2.831 0.006 1 3 800 1 CYC HA H 11.941 0 1 4 800 1 CYC HAB1 H 1.793 0.011 2 5 800 1 CYC HAB2 H 2.136 0.004 2 6 800 1 CYC HAC H 3.384 0.007 1 7 800 1 CYC HB H 9.966 0.008 1 8 800 1 CYC HBB1 H 0.472 0.006 1 9 800 1 CYC HBB2 H 0.472 0.006 1 10 800 1 CYC HBB3 H 0.472 0.006 1 11 800 1 CYC HBC1 H 0.984 0.018 1 12 800 1 CYC HBC2 H 0.984 0.018 1 13 800 1 CYC HBC3 H 0.984 0.018 1 14 800 1 CYC HHA H 7.235 0 1 15 800 1 CYC HHB H 6.251 0.007 1 16 800 1 CYC HHD H 5.563 0.012 1 17 800 1 CYC HMA1 H 1.281 0.008 1 18 800 1 CYC HMA2 H 1.281 0.008 1 19 800 1 CYC HMA3 H 1.281 0.008 1 20 800 1 CYC HMB1 H 1.768 0.007 1 21 800 1 CYC HMB2 H 1.768 0.007 1 22 800 1 CYC HMB3 H 1.768 0.007 1 23 800 1 CYC HMC1 H 1.248 0.006 1 24 800 1 CYC HMC2 H 1.248 0.006 1 25 800 1 CYC HMC3 H 1.248 0.006 1 26 800 1 CYC HMD1 H 1.72 0.003 1 27 800 1 CYC HMD2 H 1.72 0.003 1 28 800 1 CYC HMD3 H 1.72 0.003 1 29 800 1 CYC C1B C 148.246 0 1 30 800 1 CYC C2C C 39.394 0.015 1 31 800 1 CYC C3C C 53.898 0.026 1 32 800 1 CYC C4B C 173.929 0 1 33 800 1 CYC CAB C 19.295 0.002 1 34 800 1 CYC CAC C 45.767 0.032 1 35 800 1 CYC CBB C 14.29 0.01 1 36 800 1 CYC CBC C 13.342 0.025 1 37 800 1 CYC CHB C 100.065 0 1 38 800 1 CYC CHD C 96.786 0 1 39 800 1 CYC CMA C 10.247 0.01 1 40 800 1 CYC CMB C 14.341 0.009 1 41 800 1 CYC CMC C 19.587 0.03 1 42 800 1 CYC CMD C 11.271 0.014 1 43 800 1 CYC NA N 158.612 0 1 44 800 1 CYC NB N 131.658 0.024 1 stop_ save_