data_34329 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the third TPR domain of the human SPAG1 protein ; _BMRB_accession_number 34329 _BMRB_flat_file_name bmr34329.str _Entry_type original _Submission_date 2018-11-13 _Accession_date 2018-11-13 _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 Chagot M. E. . 2 Quinternet M. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 796 "13C chemical shifts" 555 "15N chemical shifts" 143 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-07-31 update BMRB 'update entry citation' 2019-05-31 original author 'original release' stop_ _Original_release_date 2019-05-28 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Binding properties of the quaternary assembly protein SPAG1. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31118266 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chagot M. E. . 2 'Dos Santos Morais' R. . . 3 Dermouche S. . . 4 Lefebvre D. . . 5 Manival X. . . 6 Chipot C. . . 7 Dehez F. . . 8 Quinternet M. . . stop_ _Journal_abbreviation 'Biochem. J.' _Journal_volume 476 _Journal_issue 11 _Journal_ASTM BIJOAK _Journal_ISSN 1470-8728 _Journal_CSD 0043 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1679 _Page_last 1694 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Sperm-associated antigen 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 14381.639 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 125 _Mol_residue_sequence ; GPHMTFKALKEEGNQCVNDK NYKDALSKYSECLKINNKEC AIYTNRALCYLKLCQFEEAK QDCDQALQLADGNVKAFYRR ALAHKGLKNYQKSLIDLNKV ILLDPSIIEAKMELEEVTRL LNLKD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 618 GLY 2 619 PRO 3 620 HIS 4 621 MET 5 622 THR 6 623 PHE 7 624 LYS 8 625 ALA 9 626 LEU 10 627 LYS 11 628 GLU 12 629 GLU 13 630 GLY 14 631 ASN 15 632 GLN 16 633 CYS 17 634 VAL 18 635 ASN 19 636 ASP 20 637 LYS 21 638 ASN 22 639 TYR 23 640 LYS 24 641 ASP 25 642 ALA 26 643 LEU 27 644 SER 28 645 LYS 29 646 TYR 30 647 SER 31 648 GLU 32 649 CYS 33 650 LEU 34 651 LYS 35 652 ILE 36 653 ASN 37 654 ASN 38 655 LYS 39 656 GLU 40 657 CYS 41 658 ALA 42 659 ILE 43 660 TYR 44 661 THR 45 662 ASN 46 663 ARG 47 664 ALA 48 665 LEU 49 666 CYS 50 667 TYR 51 668 LEU 52 669 LYS 53 670 LEU 54 671 CYS 55 672 GLN 56 673 PHE 57 674 GLU 58 675 GLU 59 676 ALA 60 677 LYS 61 678 GLN 62 679 ASP 63 680 CYS 64 681 ASP 65 682 GLN 66 683 ALA 67 684 LEU 68 685 GLN 69 686 LEU 70 687 ALA 71 688 ASP 72 689 GLY 73 690 ASN 74 691 VAL 75 692 LYS 76 693 ALA 77 694 PHE 78 695 TYR 79 696 ARG 80 697 ARG 81 698 ALA 82 699 LEU 83 700 ALA 84 701 HIS 85 702 LYS 86 703 GLY 87 704 LEU 88 705 LYS 89 706 ASN 90 707 TYR 91 708 GLN 92 709 LYS 93 710 SER 94 711 LEU 95 712 ILE 96 713 ASP 97 714 LEU 98 715 ASN 99 716 LYS 100 717 VAL 101 718 ILE 102 719 LEU 103 720 LEU 104 721 ASP 105 722 PRO 106 723 SER 107 724 ILE 108 725 ILE 109 726 GLU 110 727 ALA 111 728 LYS 112 729 MET 113 730 GLU 114 731 LEU 115 732 GLU 116 733 GLU 117 734 VAL 118 735 THR 119 736 ARG 120 737 LEU 121 738 LEU 122 739 ASN 123 740 LEU 124 741 LYS 125 742 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens SPAG1 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 $entity_1 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-13C; U-15N] SPAG1-TPR3, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N]' 'sodium chloride' 150 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TopSpin _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name PREDITOR _Version . loop_ _Vendor _Address _Electronic_address 'Berjanskii MV, Neal S, Wishart DS.' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_CBCA(CO)NH_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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' 150 . mM pH 6.4 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D 1H-15N NOESY' '3D HNHA' '3D HCCH-TOCSY' '3D HNCO' '2D 1H-1H NOESY' '2D 1H-13C HSQC' '2D 1H-15N HSQC' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 618 1 GLY HA2 H 3.836 0.020 2 2 618 1 GLY HA3 H 3.836 0.020 2 3 618 1 GLY CA C 40.408 0.300 1 4 619 2 PRO HA H 4.290 0.020 1 5 619 2 PRO HB2 H 1.696 0.020 1 6 619 2 PRO HB3 H 2.129 0.020 1 7 619 2 PRO HG2 H 1.794 0.020 1 8 619 2 PRO HG3 H 1.849 0.020 1 9 619 2 PRO HD2 H 3.401 0.020 1 10 619 2 PRO HD3 H 3.439 0.020 1 11 619 2 PRO C C 173.843 0.300 1 12 619 2 PRO CA C 60.341 0.300 1 13 619 2 PRO CB C 29.366 0.300 1 14 619 2 PRO CG C 24.085 0.300 1 15 619 2 PRO CD C 46.626 0.300 1 16 620 3 HIS H H 8.503 0.020 1 17 620 3 HIS HA H 4.481 0.020 1 18 620 3 HIS HB2 H 3.040 0.020 2 19 620 3 HIS HB3 H 3.040 0.020 2 20 620 3 HIS HD2 H 7.028 0.020 1 21 620 3 HIS HE1 H 8.071 0.020 1 22 620 3 HIS C C 172.592 0.300 1 23 620 3 HIS CA C 53.479 0.300 1 24 620 3 HIS CB C 26.692 0.300 1 25 620 3 HIS CD2 C 129.289 0.300 1 26 620 3 HIS CE1 C 134.884 0.300 1 27 620 3 HIS N N 119.205 0.300 1 28 620 3 HIS ND1 N 199.195 0.300 1 29 620 3 HIS NE2 N 176.490 0.300 1 30 621 4 MET H H 8.262 0.020 1 31 621 4 MET HA H 4.432 0.020 1 32 621 4 MET HB2 H 1.866 0.020 2 33 621 4 MET HB3 H 1.866 0.020 2 34 621 4 MET HG2 H 2.359 0.020 1 35 621 4 MET HG3 H 2.460 0.020 1 36 621 4 MET HE H 1.878 0.020 1 37 621 4 MET C C 173.701 0.300 1 38 621 4 MET CA C 52.539 0.300 1 39 621 4 MET CB C 29.327 0.300 1 40 621 4 MET CG C 29.264 0.300 1 41 621 4 MET CE C 13.964 0.300 1 42 621 4 MET N N 121.967 0.300 1 43 622 5 THR H H 7.754 0.020 1 44 622 5 THR HA H 4.224 0.020 1 45 622 5 THR HB H 4.466 0.020 1 46 622 5 THR HG2 H 1.181 0.020 1 47 622 5 THR C C 171.542 0.300 1 48 622 5 THR CA C 58.627 0.300 1 49 622 5 THR CB C 67.846 0.300 1 50 622 5 THR CG2 C 19.197 0.300 1 51 622 5 THR N N 112.963 0.300 1 52 623 6 PHE H H 8.887 0.020 1 53 623 6 PHE HA H 3.890 0.020 1 54 623 6 PHE HB2 H 3.114 0.020 2 55 623 6 PHE HB3 H 3.114 0.020 2 56 623 6 PHE HD1 H 7.186 0.020 3 57 623 6 PHE HD2 H 7.186 0.020 3 58 623 6 PHE HE1 H 7.367 0.020 3 59 623 6 PHE HE2 H 7.367 0.020 3 60 623 6 PHE HZ H 7.072 0.020 1 61 623 6 PHE C C 173.143 0.300 1 62 623 6 PHE CA C 59.408 0.300 1 63 623 6 PHE CB C 36.600 0.300 1 64 623 6 PHE CD1 C 129.545 0.300 1 65 623 6 PHE CE1 C 128.869 0.300 1 66 623 6 PHE CZ C 127.070 0.300 1 67 623 6 PHE N N 121.667 0.300 1 68 624 7 LYS H H 8.332 0.020 1 69 624 7 LYS HA H 3.617 0.020 1 70 624 7 LYS HB2 H 1.652 0.020 1 71 624 7 LYS HB3 H 1.865 0.020 1 72 624 7 LYS HG2 H 1.253 0.020 1 73 624 7 LYS HG3 H 1.405 0.020 1 74 624 7 LYS HD2 H 1.574 0.020 2 75 624 7 LYS HD3 H 1.574 0.020 2 76 624 7 LYS HE2 H 2.880 0.020 2 77 624 7 LYS HE3 H 2.880 0.020 2 78 624 7 LYS C C 175.077 0.300 1 79 624 7 LYS CA C 57.087 0.300 1 80 624 7 LYS CB C 30.024 0.300 1 81 624 7 LYS CG C 22.235 0.300 1 82 624 7 LYS CD C 27.152 0.300 1 83 624 7 LYS CE C 39.278 0.300 1 84 624 7 LYS N N 117.206 0.300 1 85 625 8 ALA H H 7.572 0.020 1 86 625 8 ALA HA H 3.960 0.020 1 87 625 8 ALA HB H 1.289 0.020 1 88 625 8 ALA C C 177.811 0.300 1 89 625 8 ALA CA C 51.942 0.300 1 90 625 8 ALA CB C 15.807 0.300 1 91 625 8 ALA N N 120.493 0.300 1 92 626 9 LEU H H 7.996 0.020 1 93 626 9 LEU HA H 3.703 0.020 1 94 626 9 LEU HB2 H 1.191 0.020 1 95 626 9 LEU HB3 H 1.650 0.020 1 96 626 9 LEU HG H 1.472 0.020 1 97 626 9 LEU HD1 H 0.594 0.020 2 98 626 9 LEU HD2 H 0.707 0.020 2 99 626 9 LEU C C 175.731 0.300 1 100 626 9 LEU CA C 54.984 0.300 1 101 626 9 LEU CB C 41.398 0.300 1 102 626 9 LEU CG C 24.123 0.300 1 103 626 9 LEU CD1 C 22.788 0.300 1 104 626 9 LEU CD2 C 20.670 0.300 1 105 626 9 LEU N N 120.196 0.300 1 106 627 10 LYS H H 8.094 0.020 1 107 627 10 LYS HA H 3.427 0.020 1 108 627 10 LYS HB2 H 1.155 0.020 1 109 627 10 LYS HB3 H 1.536 0.020 1 110 627 10 LYS HG2 H 1.045 0.020 1 111 627 10 LYS HG3 H 1.090 0.020 1 112 627 10 LYS HD2 H 1.453 0.020 2 113 627 10 LYS HD3 H 1.453 0.020 2 114 627 10 LYS HE2 H 2.652 0.020 1 115 627 10 LYS HE3 H 2.767 0.020 1 116 627 10 LYS C C 175.287 0.300 1 117 627 10 LYS CA C 57.227 0.300 1 118 627 10 LYS CB C 28.962 0.300 1 119 627 10 LYS CG C 21.828 0.300 1 120 627 10 LYS CD C 27.258 0.300 1 121 627 10 LYS CE C 39.150 0.300 1 122 627 10 LYS N N 120.602 0.300 1 123 628 11 GLU H H 7.791 0.020 1 124 628 11 GLU HA H 3.855 0.020 1 125 628 11 GLU HB2 H 1.884 0.020 1 126 628 11 GLU HB3 H 1.961 0.020 1 127 628 11 GLU HG2 H 2.172 0.020 1 128 628 11 GLU HG3 H 2.328 0.020 1 129 628 11 GLU C C 177.064 0.300 1 130 628 11 GLU CA C 56.322 0.300 1 131 628 11 GLU CB C 25.895 0.300 1 132 628 11 GLU CG C 33.368 0.300 1 133 628 11 GLU N N 117.803 0.300 1 134 629 12 GLU H H 8.178 0.020 1 135 629 12 GLU HA H 3.890 0.020 1 136 629 12 GLU HB2 H 1.654 0.020 1 137 629 12 GLU HB3 H 1.957 0.020 1 138 629 12 GLU HG2 H 1.946 0.020 1 139 629 12 GLU HG3 H 2.357 0.020 1 140 629 12 GLU C C 177.171 0.300 1 141 629 12 GLU CA C 56.713 0.300 1 142 629 12 GLU CB C 26.616 0.300 1 143 629 12 GLU CG C 33.860 0.300 1 144 629 12 GLU N N 120.797 0.300 1 145 630 13 GLY H H 8.591 0.020 1 146 630 13 GLY HA2 H 2.692 0.020 1 147 630 13 GLY HA3 H 2.813 0.020 1 148 630 13 GLY C C 171.197 0.300 1 149 630 13 GLY CA C 44.684 0.300 1 150 630 13 GLY N N 108.897 0.300 1 151 631 14 ASN H H 8.479 0.020 1 152 631 14 ASN HA H 4.153 0.020 1 153 631 14 ASN HB2 H 2.745 0.020 1 154 631 14 ASN HB3 H 2.909 0.020 1 155 631 14 ASN HD21 H 7.727 0.020 1 156 631 14 ASN HD22 H 6.416 0.020 1 157 631 14 ASN C C 175.180 0.300 1 158 631 14 ASN CA C 52.514 0.300 1 159 631 14 ASN CB C 33.995 0.300 1 160 631 14 ASN N N 119.781 0.300 1 161 631 14 ASN ND2 N 110.199 0.300 1 162 632 15 GLN H H 8.151 0.020 1 163 632 15 GLN HA H 3.811 0.020 1 164 632 15 GLN HB2 H 2.053 0.020 2 165 632 15 GLN HB3 H 2.053 0.020 2 166 632 15 GLN HG2 H 2.248 0.020 1 167 632 15 GLN HG3 H 2.287 0.020 1 168 632 15 GLN HE21 H 7.673 0.020 1 169 632 15 GLN HE22 H 6.758 0.020 1 170 632 15 GLN C C 175.251 0.300 1 171 632 15 GLN CA C 55.725 0.300 1 172 632 15 GLN CB C 24.740 0.300 1 173 632 15 GLN CG C 30.324 0.300 1 174 632 15 GLN N N 121.798 0.300 1 175 632 15 GLN NE2 N 115.402 0.300 1 176 633 16 CYS H H 8.082 0.020 1 177 633 16 CYS HA H 4.091 0.020 1 178 633 16 CYS HB2 H 2.767 0.020 1 179 633 16 CYS HB3 H 3.083 0.020 1 180 633 16 CYS C C 174.654 0.300 1 181 633 16 CYS CA C 61.344 0.300 1 182 633 16 CYS CB C 23.107 0.300 1 183 633 16 CYS N N 118.015 0.300 1 184 634 17 VAL H H 7.983 0.020 1 185 634 17 VAL HA H 2.963 0.020 1 186 634 17 VAL HB H 2.109 0.020 1 187 634 17 VAL HG1 H 0.876 0.020 2 188 634 17 VAL HG2 H 1.002 0.020 2 189 634 17 VAL C C 177.202 0.300 1 190 634 17 VAL CA C 64.910 0.300 1 191 634 17 VAL CB C 28.358 0.300 1 192 634 17 VAL CG1 C 19.192 0.300 1 193 634 17 VAL CG2 C 22.457 0.300 1 194 634 17 VAL N N 120.610 0.300 1 195 635 18 ASN H H 7.835 0.020 1 196 635 18 ASN HA H 4.193 0.020 1 197 635 18 ASN HB2 H 2.764 0.020 2 198 635 18 ASN HB3 H 2.764 0.020 2 199 635 18 ASN HD21 H 7.265 0.020 1 200 635 18 ASN HD22 H 6.750 0.020 1 201 635 18 ASN C C 173.576 0.300 1 202 635 18 ASN CA C 53.471 0.300 1 203 635 18 ASN CB C 34.864 0.300 1 204 635 18 ASN N N 122.452 0.300 1 205 635 18 ASN ND2 N 112.228 0.300 1 206 636 19 ASP H H 7.671 0.020 1 207 636 19 ASP HA H 4.436 0.020 1 208 636 19 ASP HB2 H 2.444 0.020 1 209 636 19 ASP HB3 H 2.699 0.020 1 210 636 19 ASP C C 172.030 0.300 1 211 636 19 ASP CA C 51.519 0.300 1 212 636 19 ASP CB C 37.919 0.300 1 213 636 19 ASP N N 118.435 0.300 1 214 637 20 LYS H H 7.715 0.020 1 215 637 20 LYS HA H 2.754 0.020 1 216 637 20 LYS HB2 H 1.740 0.020 1 217 637 20 LYS HB3 H 1.980 0.020 1 218 637 20 LYS HG2 H 1.188 0.020 1 219 637 20 LYS HG3 H 1.245 0.020 1 220 637 20 LYS HD2 H 1.678 0.020 2 221 637 20 LYS HD3 H 1.678 0.020 2 222 637 20 LYS HE2 H 2.932 0.020 2 223 637 20 LYS HE3 H 2.932 0.020 2 224 637 20 LYS C C 171.230 0.300 1 225 637 20 LYS CA C 54.445 0.300 1 226 637 20 LYS CB C 25.755 0.300 1 227 637 20 LYS CG C 22.306 0.300 1 228 637 20 LYS CD C 26.339 0.300 1 229 637 20 LYS CE C 39.645 0.300 1 230 637 20 LYS N N 114.692 0.300 1 231 638 21 ASN H H 8.154 0.020 1 232 638 21 ASN HA H 4.713 0.020 1 233 638 21 ASN HB2 H 2.361 0.020 1 234 638 21 ASN HB3 H 2.758 0.020 1 235 638 21 ASN HD21 H 7.695 0.020 1 236 638 21 ASN HD22 H 7.401 0.020 1 237 638 21 ASN C C 172.713 0.300 1 238 638 21 ASN CA C 46.915 0.300 1 239 638 21 ASN CB C 33.661 0.300 1 240 638 21 ASN N N 118.448 0.300 1 241 638 21 ASN ND2 N 112.886 0.300 1 242 639 22 TYR H H 6.869 0.020 1 243 639 22 TYR HA H 3.849 0.020 1 244 639 22 TYR HB2 H 2.511 0.020 1 245 639 22 TYR HB3 H 2.872 0.020 1 246 639 22 TYR HD1 H 7.105 0.020 3 247 639 22 TYR HD2 H 7.105 0.020 3 248 639 22 TYR HE1 H 6.736 0.020 3 249 639 22 TYR HE2 H 6.736 0.020 3 250 639 22 TYR C C 174.536 0.300 1 251 639 22 TYR CA C 58.624 0.300 1 252 639 22 TYR CB C 34.926 0.300 1 253 639 22 TYR CD1 C 130.131 0.300 1 254 639 22 TYR CE1 C 115.709 0.300 1 255 639 22 TYR N N 119.728 0.300 1 256 640 23 LYS H H 8.548 0.020 1 257 640 23 LYS HA H 3.796 0.020 1 258 640 23 LYS HB2 H 1.740 0.020 2 259 640 23 LYS HB3 H 1.740 0.020 2 260 640 23 LYS HG2 H 1.289 0.020 1 261 640 23 LYS HG3 H 1.401 0.020 1 262 640 23 LYS HD2 H 1.577 0.020 2 263 640 23 LYS HD3 H 1.577 0.020 2 264 640 23 LYS HE2 H 2.868 0.020 2 265 640 23 LYS HE3 H 2.868 0.020 2 266 640 23 LYS C C 176.029 0.300 1 267 640 23 LYS CA C 57.086 0.300 1 268 640 23 LYS CB C 29.316 0.300 1 269 640 23 LYS CG C 22.558 0.300 1 270 640 23 LYS CD C 26.560 0.300 1 271 640 23 LYS CE C 39.187 0.300 1 272 640 23 LYS N N 118.668 0.300 1 273 641 24 ASP H H 7.186 0.020 1 274 641 24 ASP HA H 4.378 0.020 1 275 641 24 ASP HB2 H 2.288 0.020 1 276 641 24 ASP HB3 H 2.432 0.020 1 277 641 24 ASP C C 175.994 0.300 1 278 641 24 ASP CA C 53.800 0.300 1 279 641 24 ASP CB C 37.077 0.300 1 280 641 24 ASP N N 118.613 0.300 1 281 642 25 ALA H H 7.523 0.020 1 282 642 25 ALA HA H 3.321 0.020 1 283 642 25 ALA HB H 1.295 0.020 1 284 642 25 ALA C C 175.012 0.300 1 285 642 25 ALA CA C 52.775 0.300 1 286 642 25 ALA CB C 17.549 0.300 1 287 642 25 ALA N N 121.598 0.300 1 288 643 26 LEU H H 7.812 0.020 1 289 643 26 LEU HA H 3.631 0.020 1 290 643 26 LEU HB2 H 1.478 0.020 1 291 643 26 LEU HB3 H 1.627 0.020 1 292 643 26 LEU HG H 1.346 0.020 1 293 643 26 LEU HD1 H 0.268 0.020 2 294 643 26 LEU HD2 H 0.362 0.020 2 295 643 26 LEU C C 176.714 0.300 1 296 643 26 LEU CA C 56.148 0.300 1 297 643 26 LEU CB C 39.446 0.300 1 298 643 26 LEU CG C 23.802 0.300 1 299 643 26 LEU CD1 C 21.951 0.300 1 300 643 26 LEU CD2 C 22.091 0.300 1 301 643 26 LEU N N 116.789 0.300 1 302 644 27 SER H H 7.104 0.020 1 303 644 27 SER HA H 4.052 0.020 1 304 644 27 SER HB2 H 3.874 0.020 2 305 644 27 SER HB3 H 3.874 0.020 2 306 644 27 SER C C 177.394 0.300 1 307 644 27 SER CA C 58.562 0.300 1 308 644 27 SER CB C 59.693 0.300 1 309 644 27 SER N N 114.253 0.300 1 310 645 28 LYS H H 7.474 0.020 1 311 645 28 LYS HA H 3.856 0.020 1 312 645 28 LYS HB2 H 1.319 0.020 1 313 645 28 LYS HB3 H 1.579 0.020 1 314 645 28 LYS HG2 H 0.896 0.020 1 315 645 28 LYS HG3 H 1.382 0.020 1 316 645 28 LYS HE2 H 2.551 0.020 2 317 645 28 LYS HE3 H 2.551 0.020 2 318 645 28 LYS C C 176.642 0.300 1 319 645 28 LYS CA C 55.155 0.300 1 320 645 28 LYS CB C 27.901 0.300 1 321 645 28 LYS CG C 21.473 0.300 1 322 645 28 LYS CD C 24.846 0.300 1 323 645 28 LYS CE C 39.707 0.300 1 324 645 28 LYS N N 120.418 0.300 1 325 646 29 TYR H H 8.592 0.020 1 326 646 29 TYR HA H 4.274 0.020 1 327 646 29 TYR HB2 H 2.576 0.020 1 328 646 29 TYR HB3 H 2.764 0.020 1 329 646 29 TYR HD1 H 6.657 0.020 3 330 646 29 TYR HD2 H 6.657 0.020 3 331 646 29 TYR HE1 H 6.366 0.020 3 332 646 29 TYR HE2 H 6.366 0.020 3 333 646 29 TYR C C 175.846 0.300 1 334 646 29 TYR CA C 56.067 0.300 1 335 646 29 TYR CB C 34.533 0.300 1 336 646 29 TYR CD1 C 128.552 0.300 1 337 646 29 TYR CE1 C 114.409 0.300 1 338 646 29 TYR N N 117.068 0.300 1 339 647 30 SER H H 8.400 0.020 1 340 647 30 SER HA H 4.047 0.020 1 341 647 30 SER HB2 H 3.744 0.020 1 342 647 30 SER HB3 H 4.070 0.020 1 343 647 30 SER C C 173.741 0.300 1 344 647 30 SER CA C 59.657 0.300 1 345 647 30 SER CB C 59.693 0.300 1 346 647 30 SER N N 115.673 0.300 1 347 648 31 GLU H H 7.722 0.020 1 348 648 31 GLU HA H 3.893 0.020 1 349 648 31 GLU HB2 H 2.019 0.020 1 350 648 31 GLU HB3 H 2.131 0.020 1 351 648 31 GLU HG2 H 2.228 0.020 2 352 648 31 GLU HG3 H 2.228 0.020 2 353 648 31 GLU C C 177.386 0.300 1 354 648 31 GLU CA C 56.521 0.300 1 355 648 31 GLU CB C 26.515 0.300 1 356 648 31 GLU CG C 32.961 0.300 1 357 648 31 GLU N N 122.532 0.300 1 358 649 32 CYS H H 8.137 0.020 1 359 649 32 CYS HA H 3.865 0.020 1 360 649 32 CYS HB2 H 2.672 0.020 1 361 649 32 CYS HB3 H 3.385 0.020 1 362 649 32 CYS HG H 1.876 0.020 1 363 649 32 CYS C C 174.143 0.300 1 364 649 32 CYS CA C 62.600 0.300 1 365 649 32 CYS CB C 24.094 0.300 1 366 649 32 CYS N N 118.318 0.300 1 367 650 33 LEU H H 7.478 0.020 1 368 650 33 LEU HA H 4.077 0.020 1 369 650 33 LEU HB2 H 1.209 0.020 1 370 650 33 LEU HB3 H 1.692 0.020 1 371 650 33 LEU HG H 1.518 0.020 1 372 650 33 LEU HD1 H 0.153 0.020 2 373 650 33 LEU HD2 H 0.380 0.020 2 374 650 33 LEU C C 175.303 0.300 1 375 650 33 LEU CA C 53.752 0.300 1 376 650 33 LEU CB C 39.140 0.300 1 377 650 33 LEU CG C 23.315 0.300 1 378 650 33 LEU CD1 C 19.375 0.300 1 379 650 33 LEU CD2 C 21.946 0.300 1 380 650 33 LEU N N 117.551 0.300 1 381 651 34 LYS H H 7.028 0.020 1 382 651 34 LYS HA H 3.925 0.020 1 383 651 34 LYS HB2 H 1.822 0.020 2 384 651 34 LYS HB3 H 1.822 0.020 2 385 651 34 LYS HG2 H 1.301 0.020 1 386 651 34 LYS HG3 H 1.556 0.020 1 387 651 34 LYS HD2 H 1.553 0.020 2 388 651 34 LYS HD3 H 1.553 0.020 2 389 651 34 LYS HE2 H 2.730 0.020 1 390 651 34 LYS HE3 H 2.816 0.020 1 391 651 34 LYS C C 174.768 0.300 1 392 651 34 LYS CA C 55.401 0.300 1 393 651 34 LYS CB C 29.698 0.300 1 394 651 34 LYS CG C 22.745 0.300 1 395 651 34 LYS CD C 26.623 0.300 1 396 651 34 LYS CE C 39.172 0.300 1 397 651 34 LYS N N 116.428 0.300 1 398 652 35 ILE H H 7.308 0.020 1 399 652 35 ILE HA H 3.813 0.020 1 400 652 35 ILE HB H 1.959 0.020 1 401 652 35 ILE HG12 H 0.927 0.020 1 402 652 35 ILE HG13 H 1.620 0.020 1 403 652 35 ILE HG2 H 0.893 0.020 1 404 652 35 ILE HD1 H 0.817 0.020 1 405 652 35 ILE C C 173.273 0.300 1 406 652 35 ILE CA C 60.340 0.300 1 407 652 35 ILE CB C 36.858 0.300 1 408 652 35 ILE CG1 C 25.072 0.300 1 409 652 35 ILE CG2 C 14.920 0.300 1 410 652 35 ILE CD1 C 11.362 0.300 1 411 652 35 ILE N N 118.582 0.300 1 412 653 36 ASN H H 8.196 0.020 1 413 653 36 ASN HA H 4.563 0.020 1 414 653 36 ASN HB2 H 2.128 0.020 1 415 653 36 ASN HB3 H 2.270 0.020 1 416 653 36 ASN HD21 H 6.238 0.020 1 417 653 36 ASN HD22 H 6.670 0.020 1 418 653 36 ASN C C 170.748 0.300 1 419 653 36 ASN CA C 49.903 0.300 1 420 653 36 ASN CB C 36.616 0.300 1 421 653 36 ASN N N 116.950 0.300 1 422 653 36 ASN ND2 N 110.413 0.300 1 423 654 37 ASN H H 8.186 0.020 1 424 654 37 ASN HA H 4.752 0.020 1 425 654 37 ASN HB2 H 2.869 0.020 1 426 654 37 ASN HB3 H 3.324 0.020 1 427 654 37 ASN HD21 H 7.323 0.020 1 428 654 37 ASN HD22 H 6.650 0.020 1 429 654 37 ASN C C 174.181 0.300 1 430 654 37 ASN CA C 49.130 0.300 1 431 654 37 ASN CB C 34.782 0.300 1 432 654 37 ASN N N 122.537 0.300 1 433 654 37 ASN ND2 N 109.642 0.300 1 434 655 38 LYS H H 8.038 0.020 1 435 655 38 LYS HA H 4.501 0.020 1 436 655 38 LYS HB2 H 1.732 0.020 1 437 655 38 LYS HB3 H 2.003 0.020 1 438 655 38 LYS HG2 H 1.313 0.020 1 439 655 38 LYS HG3 H 1.426 0.020 1 440 655 38 LYS HD2 H 1.471 0.020 1 441 655 38 LYS HD3 H 1.541 0.020 1 442 655 38 LYS HE2 H 2.884 0.020 2 443 655 38 LYS HE3 H 2.884 0.020 2 444 655 38 LYS C C 173.019 0.300 1 445 655 38 LYS CA C 52.401 0.300 1 446 655 38 LYS CB C 29.502 0.300 1 447 655 38 LYS CG C 21.484 0.300 1 448 655 38 LYS CD C 25.774 0.300 1 449 655 38 LYS CE C 39.610 0.300 1 450 655 38 LYS N N 117.135 0.300 1 451 656 39 GLU H H 7.839 0.020 1 452 656 39 GLU HA H 4.515 0.020 1 453 656 39 GLU HB2 H 1.782 0.020 1 454 656 39 GLU HB3 H 2.105 0.020 1 455 656 39 GLU HG2 H 2.058 0.020 1 456 656 39 GLU HG3 H 2.145 0.020 1 457 656 39 GLU C C 173.531 0.300 1 458 656 39 GLU CA C 52.564 0.300 1 459 656 39 GLU CB C 26.885 0.300 1 460 656 39 GLU CG C 33.639 0.300 1 461 656 39 GLU N N 121.569 0.300 1 462 657 40 CYS H H 8.940 0.020 1 463 657 40 CYS HA H 3.967 0.020 1 464 657 40 CYS HB2 H 2.861 0.020 2 465 657 40 CYS HB3 H 2.861 0.020 2 466 657 40 CYS C C 173.094 0.300 1 467 657 40 CYS CA C 59.781 0.300 1 468 657 40 CYS CB C 24.100 0.300 1 469 657 40 CYS N N 126.858 0.300 1 470 658 41 ALA H H 8.925 0.020 1 471 658 41 ALA HA H 4.140 0.020 1 472 658 41 ALA HB H 1.294 0.020 1 473 658 41 ALA C C 176.623 0.300 1 474 658 41 ALA CA C 51.755 0.300 1 475 658 41 ALA CB C 15.742 0.300 1 476 658 41 ALA N N 121.961 0.300 1 477 659 42 ILE H H 7.223 0.020 1 478 659 42 ILE HA H 3.182 0.020 1 479 659 42 ILE HB H 1.704 0.020 1 480 659 42 ILE HG12 H 1.352 0.020 1 481 659 42 ILE HG13 H 1.591 0.020 1 482 659 42 ILE HG2 H 0.510 0.020 1 483 659 42 ILE HD1 H 0.599 0.020 1 484 659 42 ILE C C 174.874 0.300 1 485 659 42 ILE CA C 59.349 0.300 1 486 659 42 ILE CB C 32.260 0.300 1 487 659 42 ILE CG1 C 24.991 0.300 1 488 659 42 ILE CG2 C 15.935 0.300 1 489 659 42 ILE CD1 C 6.147 0.300 1 490 659 42 ILE N N 113.813 0.300 1 491 660 43 TYR H H 6.673 0.020 1 492 660 43 TYR HA H 3.864 0.020 1 493 660 43 TYR HB2 H 2.644 0.020 1 494 660 43 TYR HB3 H 3.277 0.020 1 495 660 43 TYR HD1 H 6.826 0.020 3 496 660 43 TYR HD2 H 6.826 0.020 3 497 660 43 TYR HE1 H 6.584 0.020 3 498 660 43 TYR HE2 H 6.584 0.020 3 499 660 43 TYR C C 175.664 0.300 1 500 660 43 TYR CA C 60.155 0.300 1 501 660 43 TYR CB C 36.155 0.300 1 502 660 43 TYR CD1 C 129.478 0.300 1 503 660 43 TYR CE1 C 116.465 0.300 1 504 660 43 TYR N N 116.742 0.300 1 505 661 44 THR H H 8.120 0.020 1 506 661 44 THR HA H 3.616 0.020 1 507 661 44 THR HB H 3.928 0.020 1 508 661 44 THR HG2 H 0.959 0.020 1 509 661 44 THR C C 175.418 0.300 1 510 661 44 THR CA C 63.921 0.300 1 511 661 44 THR CB C 64.603 0.300 1 512 661 44 THR CG2 C 20.208 0.300 1 513 661 44 THR N N 110.424 0.300 1 514 662 45 ASN H H 8.027 0.020 1 515 662 45 ASN HA H 4.391 0.020 1 516 662 45 ASN HB2 H 2.062 0.020 1 517 662 45 ASN HB3 H 2.275 0.020 1 518 662 45 ASN HD21 H 6.610 0.020 1 519 662 45 ASN HD22 H 7.139 0.020 1 520 662 45 ASN C C 174.341 0.300 1 521 662 45 ASN CA C 52.482 0.300 1 522 662 45 ASN CB C 33.896 0.300 1 523 662 45 ASN N N 123.930 0.300 1 524 662 45 ASN ND2 N 111.329 0.300 1 525 663 46 ARG H H 8.618 0.020 1 526 663 46 ARG HA H 3.690 0.020 1 527 663 46 ARG HB2 H 1.228 0.020 1 528 663 46 ARG HB3 H 1.650 0.020 1 529 663 46 ARG HG2 H 1.251 0.020 1 530 663 46 ARG HG3 H 2.417 0.020 1 531 663 46 ARG HD2 H 2.377 0.020 1 532 663 46 ARG HD3 H 2.989 0.020 1 533 663 46 ARG HE H 10.672 0.020 1 534 663 46 ARG C C 175.781 0.300 1 535 663 46 ARG CA C 59.360 0.300 1 536 663 46 ARG CB C 26.523 0.300 1 537 663 46 ARG CG C 26.377 0.300 1 538 663 46 ARG CD C 40.697 0.300 1 539 663 46 ARG N N 124.890 0.300 1 540 663 46 ARG NE N 80.771 0.300 1 541 664 47 ALA H H 8.510 0.020 1 542 664 47 ALA HA H 4.115 0.020 1 543 664 47 ALA HB H 1.476 0.020 1 544 664 47 ALA C C 176.634 0.300 1 545 664 47 ALA CA C 53.202 0.300 1 546 664 47 ALA CB C 16.896 0.300 1 547 664 47 ALA N N 119.839 0.300 1 548 665 48 LEU H H 6.889 0.020 1 549 665 48 LEU HA H 3.827 0.020 1 550 665 48 LEU HB2 H 1.191 0.020 1 551 665 48 LEU HB3 H 2.286 0.020 1 552 665 48 LEU HG H 1.385 0.020 1 553 665 48 LEU HD1 H 0.782 0.020 2 554 665 48 LEU HD2 H 0.887 0.020 2 555 665 48 LEU C C 174.576 0.300 1 556 665 48 LEU CA C 55.103 0.300 1 557 665 48 LEU CB C 38.878 0.300 1 558 665 48 LEU CG C 24.109 0.300 1 559 665 48 LEU CD1 C 20.571 0.300 1 560 665 48 LEU CD2 C 22.786 0.300 1 561 665 48 LEU N N 115.811 0.300 1 562 666 49 CYS H H 7.074 0.020 1 563 666 49 CYS HA H 3.662 0.020 1 564 666 49 CYS HB2 H 2.424 0.020 1 565 666 49 CYS HB3 H 3.316 0.020 1 566 666 49 CYS HG H 2.855 0.020 1 567 666 49 CYS C C 173.360 0.300 1 568 666 49 CYS CA C 60.661 0.300 1 569 666 49 CYS CB C 23.882 0.300 1 570 666 49 CYS N N 116.271 0.300 1 571 667 50 TYR H H 8.092 0.020 1 572 667 50 TYR HA H 4.085 0.020 1 573 667 50 TYR HB2 H 2.533 0.020 1 574 667 50 TYR HB3 H 3.529 0.020 1 575 667 50 TYR HD1 H 6.735 0.020 3 576 667 50 TYR HD2 H 6.735 0.020 3 577 667 50 TYR HE1 H 6.643 0.020 3 578 667 50 TYR HE2 H 6.643 0.020 3 579 667 50 TYR HH H 11.325 0.020 1 580 667 50 TYR C C 176.197 0.300 1 581 667 50 TYR CA C 58.562 0.300 1 582 667 50 TYR CB C 34.203 0.300 1 583 667 50 TYR CD1 C 127.633 0.300 1 584 667 50 TYR CE1 C 113.196 0.300 1 585 667 50 TYR N N 116.738 0.300 1 586 668 51 LEU H H 8.492 0.020 1 587 668 51 LEU HA H 3.530 0.020 1 588 668 51 LEU HB2 H 1.404 0.020 1 589 668 51 LEU HB3 H 2.002 0.020 1 590 668 51 LEU HG H 1.760 0.020 1 591 668 51 LEU HD1 H 0.780 0.020 2 592 668 51 LEU HD2 H 0.823 0.020 2 593 668 51 LEU C C 178.361 0.300 1 594 668 51 LEU CA C 55.769 0.300 1 595 668 51 LEU CB C 39.086 0.300 1 596 668 51 LEU CG C 23.759 0.300 1 597 668 51 LEU CD1 C 20.197 0.300 1 598 668 51 LEU CD2 C 22.438 0.300 1 599 668 51 LEU N N 119.891 0.300 1 600 669 52 LYS H H 7.795 0.020 1 601 669 52 LYS HA H 3.744 0.020 1 602 669 52 LYS HB2 H 1.004 0.020 1 603 669 52 LYS HB3 H 1.149 0.020 1 604 669 52 LYS HG2 H -0.06 0.020 1 605 669 52 LYS HG3 H 1.025 0.020 1 606 669 52 LYS HD2 H 1.158 0.020 1 607 669 52 LYS HD3 H 1.395 0.020 1 608 669 52 LYS HE2 H 2.562 0.020 2 609 669 52 LYS HE3 H 2.562 0.020 2 610 669 52 LYS C C 175.546 0.300 1 611 669 52 LYS CA C 53.806 0.300 1 612 669 52 LYS CB C 28.300 0.300 1 613 669 52 LYS CG C 20.660 0.300 1 614 669 52 LYS CD C 25.015 0.300 1 615 669 52 LYS CE C 39.499 0.300 1 616 669 52 LYS N N 119.228 0.300 1 617 670 53 LEU H H 7.257 0.020 1 618 670 53 LEU HA H 4.221 0.020 1 619 670 53 LEU HB2 H 1.557 0.020 1 620 670 53 LEU HB3 H 1.687 0.020 1 621 670 53 LEU HG H 1.578 0.020 1 622 670 53 LEU HD1 H 0.572 0.020 2 623 670 53 LEU HD2 H 0.760 0.020 2 624 670 53 LEU C C 172.582 0.300 1 625 670 53 LEU CA C 51.345 0.300 1 626 670 53 LEU CB C 38.622 0.300 1 627 670 53 LEU CG C 23.883 0.300 1 628 670 53 LEU CD1 C 23.144 0.300 1 629 670 53 LEU CD2 C 19.613 0.300 1 630 670 53 LEU N N 118.805 0.300 1 631 671 54 CYS H H 7.733 0.020 1 632 671 54 CYS HA H 2.562 0.020 1 633 671 54 CYS HB2 H 2.702 0.020 1 634 671 54 CYS HB3 H 3.028 0.020 1 635 671 54 CYS C C 170.278 0.300 1 636 671 54 CYS CA C 56.758 0.300 1 637 671 54 CYS CB C 21.459 0.300 1 638 671 54 CYS N N 112.934 0.300 1 639 672 55 GLN H H 8.134 0.020 1 640 672 55 GLN HA H 4.221 0.020 1 641 672 55 GLN HB2 H 1.692 0.020 1 642 672 55 GLN HB3 H 2.014 0.020 1 643 672 55 GLN HG2 H 1.928 0.020 1 644 672 55 GLN HG3 H 2.002 0.020 1 645 672 55 GLN HE21 H 6.903 0.020 1 646 672 55 GLN HE22 H 6.424 0.020 1 647 672 55 GLN C C 172.891 0.300 1 648 672 55 GLN CA C 50.921 0.300 1 649 672 55 GLN CB C 25.040 0.300 1 650 672 55 GLN CG C 31.658 0.300 1 651 672 55 GLN N N 120.923 0.300 1 652 672 55 GLN NE2 N 108.607 0.300 1 653 673 56 PHE H H 6.728 0.020 1 654 673 56 PHE HA H 3.800 0.020 1 655 673 56 PHE HB2 H 2.551 0.020 1 656 673 56 PHE HB3 H 3.372 0.020 1 657 673 56 PHE HD1 H 7.040 0.020 3 658 673 56 PHE HD2 H 7.040 0.020 3 659 673 56 PHE HE1 H 7.351 0.020 3 660 673 56 PHE HE2 H 7.351 0.020 3 661 673 56 PHE HZ H 7.427 0.020 1 662 673 56 PHE C C 174.832 0.300 1 663 673 56 PHE CA C 59.341 0.300 1 664 673 56 PHE CB C 35.677 0.300 1 665 673 56 PHE CD1 C 128.192 0.300 1 666 673 56 PHE CE1 C 129.673 0.300 1 667 673 56 PHE CZ C 127.936 0.300 1 668 673 56 PHE N N 118.874 0.300 1 669 674 57 GLU H H 8.800 0.020 1 670 674 57 GLU HA H 3.806 0.020 1 671 674 57 GLU HB2 H 1.616 0.020 1 672 674 57 GLU HB3 H 1.860 0.020 1 673 674 57 GLU HG2 H 1.997 0.020 1 674 674 57 GLU HG3 H 2.137 0.020 1 675 674 57 GLU C C 175.536 0.300 1 676 674 57 GLU CA C 56.745 0.300 1 677 674 57 GLU CB C 25.719 0.300 1 678 674 57 GLU CG C 32.328 0.300 1 679 674 57 GLU N N 121.139 0.300 1 680 675 58 GLU H H 9.082 0.020 1 681 675 58 GLU HA H 3.274 0.020 1 682 675 58 GLU HB2 H -0.12 0.020 1 683 675 58 GLU HB3 H 0.813 0.020 1 684 675 58 GLU HG2 H 1.682 0.020 1 685 675 58 GLU HG3 H 1.820 0.020 1 686 675 58 GLU C C 176.773 0.300 1 687 675 58 GLU CA C 57.940 0.300 1 688 675 58 GLU CB C 21.984 0.300 1 689 675 58 GLU CG C 35.138 0.300 1 690 675 58 GLU N N 121.233 0.300 1 691 676 59 ALA H H 7.548 0.020 1 692 676 59 ALA HA H 3.921 0.020 1 693 676 59 ALA HB H 1.384 0.020 1 694 676 59 ALA C C 175.909 0.300 1 695 676 59 ALA CA C 52.788 0.300 1 696 676 59 ALA CB C 16.242 0.300 1 697 676 59 ALA N N 119.979 0.300 1 698 677 60 LYS H H 8.108 0.020 1 699 677 60 LYS HA H 3.245 0.020 1 700 677 60 LYS HB2 H 1.407 0.020 1 701 677 60 LYS HB3 H 1.892 0.020 1 702 677 60 LYS HG2 H 0.771 0.020 1 703 677 60 LYS HG3 H 0.907 0.020 1 704 677 60 LYS HD2 H 1.203 0.020 1 705 677 60 LYS HD3 H 1.322 0.020 1 706 677 60 LYS HE2 H 2.698 0.020 1 707 677 60 LYS HE3 H 2.783 0.020 1 708 677 60 LYS C C 174.906 0.300 1 709 677 60 LYS CA C 58.014 0.300 1 710 677 60 LYS CB C 28.577 0.300 1 711 677 60 LYS CG C 21.190 0.300 1 712 677 60 LYS CD C 26.053 0.300 1 713 677 60 LYS CE C 38.944 0.300 1 714 677 60 LYS N N 119.708 0.300 1 715 678 61 GLN H H 7.961 0.020 1 716 678 61 GLN HA H 3.857 0.020 1 717 678 61 GLN HB2 H 1.976 0.020 2 718 678 61 GLN HB3 H 1.976 0.020 2 719 678 61 GLN HG2 H 2.289 0.020 1 720 678 61 GLN HG3 H 2.412 0.020 1 721 678 61 GLN HE21 H 7.741 0.020 1 722 678 61 GLN HE22 H 6.657 0.020 1 723 678 61 GLN C C 176.431 0.300 1 724 678 61 GLN CA C 56.123 0.300 1 725 678 61 GLN CB C 25.341 0.300 1 726 678 61 GLN CG C 31.011 0.300 1 727 678 61 GLN N N 117.111 0.300 1 728 678 61 GLN NE2 N 111.905 0.300 1 729 679 62 ASP H H 7.620 0.020 1 730 679 62 ASP HA H 4.458 0.020 1 731 679 62 ASP HB2 H 2.690 0.020 1 732 679 62 ASP HB3 H 3.110 0.020 1 733 679 62 ASP C C 176.517 0.300 1 734 679 62 ASP CA C 54.869 0.300 1 735 679 62 ASP CB C 37.172 0.300 1 736 679 62 ASP N N 121.584 0.300 1 737 680 63 CYS H H 7.791 0.020 1 738 680 63 CYS HA H 3.723 0.020 1 739 680 63 CYS HB2 H 2.398 0.020 1 740 680 63 CYS HB3 H 2.831 0.020 1 741 680 63 CYS HG H 2.698 0.020 1 742 680 63 CYS C C 173.456 0.300 1 743 680 63 CYS CA C 61.981 0.300 1 744 680 63 CYS CB C 24.124 0.300 1 745 680 63 CYS N N 119.118 0.300 1 746 681 64 ASP H H 8.490 0.020 1 747 681 64 ASP HA H 4.004 0.020 1 748 681 64 ASP HB2 H 2.309 0.020 1 749 681 64 ASP HB3 H 2.724 0.020 1 750 681 64 ASP C C 176.677 0.300 1 751 681 64 ASP CA C 54.555 0.300 1 752 681 64 ASP CB C 36.862 0.300 1 753 681 64 ASP N N 120.188 0.300 1 754 682 65 GLN H H 7.514 0.020 1 755 682 65 GLN HA H 3.609 0.020 1 756 682 65 GLN HB2 H 0.949 0.020 1 757 682 65 GLN HB3 H 1.437 0.020 1 758 682 65 GLN HG2 H 1.682 0.020 1 759 682 65 GLN HG3 H 1.840 0.020 1 760 682 65 GLN HE21 H 6.872 0.020 1 761 682 65 GLN HE22 H 6.652 0.020 1 762 682 65 GLN C C 175.951 0.300 1 763 682 65 GLN CA C 55.373 0.300 1 764 682 65 GLN CB C 24.407 0.300 1 765 682 65 GLN CG C 30.303 0.300 1 766 682 65 GLN N N 119.090 0.300 1 767 682 65 GLN NE2 N 111.639 0.300 1 768 683 66 ALA H H 7.965 0.020 1 769 683 66 ALA HA H 3.653 0.020 1 770 683 66 ALA HB H 1.303 0.020 1 771 683 66 ALA C C 176.709 0.300 1 772 683 66 ALA CA C 52.782 0.300 1 773 683 66 ALA CB C 15.931 0.300 1 774 683 66 ALA N N 121.769 0.300 1 775 684 67 LEU H H 7.733 0.020 1 776 684 67 LEU HA H 3.977 0.020 1 777 684 67 LEU HB2 H 1.078 0.020 1 778 684 67 LEU HB3 H 1.457 0.020 1 779 684 67 LEU HG H 1.080 0.020 1 780 684 67 LEU HD1 H 0.039 0.020 2 781 684 67 LEU HD2 H 0.175 0.020 2 782 684 67 LEU C C 175.941 0.300 1 783 684 67 LEU CA C 53.471 0.300 1 784 684 67 LEU CB C 38.752 0.300 1 785 684 67 LEU CG C 24.440 0.300 1 786 684 67 LEU CD1 C 21.487 0.300 1 787 684 67 LEU CD2 C 19.836 0.300 1 788 684 67 LEU N N 116.738 0.300 1 789 685 68 GLN H H 7.262 0.020 1 790 685 68 GLN HA H 3.879 0.020 1 791 685 68 GLN HB2 H 1.923 0.020 2 792 685 68 GLN HB3 H 1.923 0.020 2 793 685 68 GLN HG2 H 2.201 0.020 1 794 685 68 GLN HG3 H 2.255 0.020 1 795 685 68 GLN HE21 H 7.198 0.020 1 796 685 68 GLN HE22 H 6.628 0.020 1 797 685 68 GLN C C 175.162 0.300 1 798 685 68 GLN CA C 54.754 0.300 1 799 685 68 GLN CB C 25.648 0.300 1 800 685 68 GLN CG C 31.274 0.300 1 801 685 68 GLN N N 118.042 0.300 1 802 685 68 GLN NE2 N 111.755 0.300 1 803 686 69 LEU H H 7.067 0.020 1 804 686 69 LEU HA H 4.049 0.020 1 805 686 69 LEU HB2 H 1.336 0.020 1 806 686 69 LEU HB3 H 1.836 0.020 1 807 686 69 LEU HG H 1.594 0.020 1 808 686 69 LEU HD1 H 0.716 0.020 2 809 686 69 LEU HD2 H 0.802 0.020 2 810 686 69 LEU C C 174.906 0.300 1 811 686 69 LEU CA C 53.416 0.300 1 812 686 69 LEU CB C 40.026 0.300 1 813 686 69 LEU CG C 23.766 0.300 1 814 686 69 LEU CD1 C 22.862 0.300 1 815 686 69 LEU CD2 C 19.494 0.300 1 816 686 69 LEU N N 118.642 0.300 1 817 687 70 ALA H H 7.854 0.020 1 818 687 70 ALA HA H 4.342 0.020 1 819 687 70 ALA HB H 1.273 0.020 1 820 687 70 ALA C C 172.006 0.300 1 821 687 70 ALA CA C 49.266 0.300 1 822 687 70 ALA CB C 17.538 0.300 1 823 687 70 ALA N N 123.528 0.300 1 824 688 71 ASP H H 8.181 0.020 1 825 688 71 ASP HA H 4.441 0.020 1 826 688 71 ASP HB2 H 2.522 0.020 1 827 688 71 ASP HB3 H 2.731 0.020 1 828 688 71 ASP C C 174.757 0.300 1 829 688 71 ASP CA C 52.085 0.300 1 830 688 71 ASP CB C 37.823 0.300 1 831 688 71 ASP N N 121.832 0.300 1 832 689 72 GLY H H 8.426 0.020 1 833 689 72 GLY HA2 H 3.751 0.020 1 834 689 72 GLY HA3 H 4.020 0.020 1 835 689 72 GLY C C 170.801 0.300 1 836 689 72 GLY CA C 42.684 0.300 1 837 689 72 GLY N N 108.221 0.300 1 838 690 73 ASN H H 6.667 0.020 1 839 690 73 ASN HA H 4.435 0.020 1 840 690 73 ASN HB2 H 2.601 0.020 2 841 690 73 ASN HB3 H 2.601 0.020 2 842 690 73 ASN HD21 H 7.123 0.020 1 843 690 73 ASN HD22 H 7.101 0.020 1 844 690 73 ASN C C 171.718 0.300 1 845 690 73 ASN CA C 50.878 0.300 1 846 690 73 ASN CB C 35.661 0.300 1 847 690 73 ASN N N 117.045 0.300 1 848 690 73 ASN ND2 N 112.639 0.300 1 849 691 74 VAL H H 8.419 0.020 1 850 691 74 VAL HA H 3.713 0.020 1 851 691 74 VAL HB H 2.102 0.020 1 852 691 74 VAL HG1 H 1.023 0.020 2 853 691 74 VAL HG2 H 1.120 0.020 2 854 691 74 VAL C C 174.341 0.300 1 855 691 74 VAL CA C 64.197 0.300 1 856 691 74 VAL CB C 29.309 0.300 1 857 691 74 VAL CG1 C 19.516 0.300 1 858 691 74 VAL CG2 C 20.895 0.300 1 859 691 74 VAL N N 127.320 0.300 1 860 692 75 LYS H H 7.914 0.020 1 861 692 75 LYS HA H 4.006 0.020 1 862 692 75 LYS HB2 H 1.408 0.020 1 863 692 75 LYS HB3 H 1.894 0.020 1 864 692 75 LYS HG2 H 1.316 0.020 1 865 692 75 LYS HG3 H 1.516 0.020 1 866 692 75 LYS HD2 H 1.565 0.020 2 867 692 75 LYS HD3 H 1.565 0.020 2 868 692 75 LYS HE2 H 2.862 0.020 2 869 692 75 LYS HE3 H 2.862 0.020 2 870 692 75 LYS C C 175.855 0.300 1 871 692 75 LYS CA C 56.982 0.300 1 872 692 75 LYS CB C 29.611 0.300 1 873 692 75 LYS CG C 23.097 0.300 1 874 692 75 LYS CD C 26.565 0.300 1 875 692 75 LYS CE C 39.257 0.300 1 876 692 75 LYS N N 118.935 0.300 1 877 693 76 ALA H H 7.756 0.020 1 878 693 76 ALA HA H 3.891 0.020 1 879 693 76 ALA HB H 1.060 0.020 1 880 693 76 ALA C C 176.570 0.300 1 881 693 76 ALA CA C 52.016 0.300 1 882 693 76 ALA CB C 14.619 0.300 1 883 693 76 ALA N N 120.525 0.300 1 884 694 77 PHE H H 7.797 0.020 1 885 694 77 PHE HA H 4.082 0.020 1 886 694 77 PHE HB2 H 2.764 0.020 1 887 694 77 PHE HB3 H 3.067 0.020 1 888 694 77 PHE HD1 H 6.952 0.020 3 889 694 77 PHE HD2 H 6.952 0.020 3 890 694 77 PHE HE1 H 7.096 0.020 3 891 694 77 PHE HE2 H 7.096 0.020 3 892 694 77 PHE HZ H 7.276 0.020 1 893 694 77 PHE C C 174.992 0.300 1 894 694 77 PHE CA C 59.931 0.300 1 895 694 77 PHE CB C 37.331 0.300 1 896 694 77 PHE CD1 C 128.811 0.300 1 897 694 77 PHE CE1 C 129.310 0.300 1 898 694 77 PHE CZ C 127.533 0.300 1 899 694 77 PHE N N 116.149 0.300 1 900 695 78 TYR H H 8.513 0.020 1 901 695 78 TYR HA H 4.024 0.020 1 902 695 78 TYR HB2 H 2.938 0.020 1 903 695 78 TYR HB3 H 3.129 0.020 1 904 695 78 TYR HD1 H 6.871 0.020 3 905 695 78 TYR HD2 H 6.871 0.020 3 906 695 78 TYR HE1 H 6.450 0.020 3 907 695 78 TYR HE2 H 6.450 0.020 3 908 695 78 TYR HH H 10.202 0.020 1 909 695 78 TYR C C 173.915 0.300 1 910 695 78 TYR CA C 58.363 0.300 1 911 695 78 TYR CB C 35.681 0.300 1 912 695 78 TYR CD1 C 129.174 0.300 1 913 695 78 TYR CE1 C 115.243 0.300 1 914 695 78 TYR N N 118.584 0.300 1 915 696 79 ARG H H 8.428 0.020 1 916 696 79 ARG HA H 3.580 0.020 1 917 696 79 ARG HB2 H 1.322 0.020 1 918 696 79 ARG HB3 H 1.831 0.020 1 919 696 79 ARG HG2 H 1.441 0.020 1 920 696 79 ARG HG3 H 2.018 0.020 1 921 696 79 ARG HD2 H 2.733 0.020 1 922 696 79 ARG HD3 H 2.800 0.020 1 923 696 79 ARG C C 174.693 0.300 1 924 696 79 ARG CA C 57.218 0.300 1 925 696 79 ARG CB C 26.305 0.300 1 926 696 79 ARG CG C 27.829 0.300 1 927 696 79 ARG CD C 41.101 0.300 1 928 696 79 ARG N N 116.102 0.300 1 929 697 80 ARG H H 8.396 0.020 1 930 697 80 ARG HA H 3.541 0.020 1 931 697 80 ARG HB2 H 1.466 0.020 1 932 697 80 ARG HB3 H 2.279 0.020 1 933 697 80 ARG HG2 H 1.048 0.020 1 934 697 80 ARG HG3 H 1.748 0.020 1 935 697 80 ARG HD2 H 2.529 0.020 1 936 697 80 ARG HD3 H 3.215 0.020 1 937 697 80 ARG HE H 9.512 0.020 1 938 697 80 ARG C C 175.354 0.300 1 939 697 80 ARG CA C 57.981 0.300 1 940 697 80 ARG CB C 26.951 0.300 1 941 697 80 ARG CG C 25.624 0.300 1 942 697 80 ARG CD C 41.405 0.300 1 943 697 80 ARG N N 124.156 0.300 1 944 697 80 ARG NE N 79.729 0.300 1 945 698 81 ALA H H 8.446 0.020 1 946 698 81 ALA HA H 4.192 0.020 1 947 698 81 ALA HB H 1.655 0.020 1 948 698 81 ALA C C 180.292 0.300 1 949 698 81 ALA CA C 52.838 0.300 1 950 698 81 ALA CB C 15.623 0.300 1 951 698 81 ALA N N 122.259 0.300 1 952 699 82 LEU H H 7.765 0.020 1 953 699 82 LEU HA H 3.801 0.020 1 954 699 82 LEU HB2 H 1.177 0.020 1 955 699 82 LEU HB3 H 1.819 0.020 1 956 699 82 LEU HG H 1.273 0.020 1 957 699 82 LEU HD1 H 0.452 0.020 2 958 699 82 LEU HD2 H 0.449 0.020 2 959 699 82 LEU C C 176.933 0.300 1 960 699 82 LEU CA C 54.376 0.300 1 961 699 82 LEU CB C 38.021 0.300 1 962 699 82 LEU CG C 23.480 0.300 1 963 699 82 LEU CD1 C 18.164 0.300 1 964 699 82 LEU CD2 C 22.418 0.300 1 965 699 82 LEU N N 119.923 0.300 1 966 700 83 ALA H H 8.284 0.020 1 967 700 83 ALA HA H 3.893 0.020 1 968 700 83 ALA HB H 1.404 0.020 1 969 700 83 ALA C C 176.261 0.300 1 970 700 83 ALA CA C 52.664 0.300 1 971 700 83 ALA CB C 14.620 0.300 1 972 700 83 ALA N N 127.659 0.300 1 973 701 84 HIS H H 8.947 0.020 1 974 701 84 HIS HA H 4.321 0.020 1 975 701 84 HIS HB2 H 2.817 0.020 1 976 701 84 HIS HB3 H 3.162 0.020 1 977 701 84 HIS HD2 H 6.911 0.020 1 978 701 84 HIS HE1 H 7.469 0.020 1 979 701 84 HIS C C 175.802 0.300 1 980 701 84 HIS CA C 56.751 0.300 1 981 701 84 HIS CB C 27.783 0.300 1 982 701 84 HIS CE1 C 135.760 0.300 1 983 701 84 HIS N N 116.231 0.300 1 984 702 85 LYS H H 8.022 0.020 1 985 702 85 LYS HA H 3.549 0.020 1 986 702 85 LYS HB2 H 1.802 0.020 1 987 702 85 LYS HB3 H 1.848 0.020 1 988 702 85 LYS HG2 H 1.170 0.020 2 989 702 85 LYS HG3 H 1.170 0.020 2 990 702 85 LYS HD2 H 1.450 0.020 2 991 702 85 LYS HD3 H 1.450 0.020 2 992 702 85 LYS C C 177.220 0.300 1 993 702 85 LYS CA C 57.654 0.300 1 994 702 85 LYS CB C 29.674 0.300 1 995 702 85 LYS CG C 22.874 0.300 1 996 702 85 LYS CD C 27.035 0.300 1 997 702 85 LYS N N 120.159 0.300 1 998 703 86 GLY H H 7.612 0.020 1 999 703 86 GLY HA2 H 1.348 0.020 1 1000 703 86 GLY HA3 H 2.944 0.020 1 1001 703 86 GLY C C 172.475 0.300 1 1002 703 86 GLY CA C 42.424 0.300 1 1003 703 86 GLY N N 109.365 0.300 1 1004 704 87 LEU H H 7.247 0.020 1 1005 704 87 LEU HA H 3.966 0.020 1 1006 704 87 LEU HB2 H 1.524 0.020 1 1007 704 87 LEU HB3 H 1.649 0.020 1 1008 704 87 LEU HG H 1.508 0.020 1 1009 704 87 LEU HD1 H 0.548 0.020 2 1010 704 87 LEU HD2 H 0.834 0.020 2 1011 704 87 LEU C C 172.571 0.300 1 1012 704 87 LEU CA C 52.175 0.300 1 1013 704 87 LEU CB C 39.208 0.300 1 1014 704 87 LEU CG C 23.378 0.300 1 1015 704 87 LEU CD1 C 22.117 0.300 1 1016 704 87 LEU CD2 C 19.845 0.300 1 1017 704 87 LEU N N 119.735 0.300 1 1018 705 88 LYS H H 7.417 0.020 1 1019 705 88 LYS HA H 2.775 0.020 1 1020 705 88 LYS HB2 H 1.471 0.020 1 1021 705 88 LYS HB3 H 1.904 0.020 1 1022 705 88 LYS HG2 H 1.059 0.020 1 1023 705 88 LYS HG3 H 1.142 0.020 1 1024 705 88 LYS HD2 H 1.573 0.020 2 1025 705 88 LYS HD3 H 1.573 0.020 2 1026 705 88 LYS HE2 H 2.902 0.020 2 1027 705 88 LYS HE3 H 2.902 0.020 2 1028 705 88 LYS C C 172.241 0.300 1 1029 705 88 LYS CA C 54.484 0.300 1 1030 705 88 LYS CB C 25.719 0.300 1 1031 705 88 LYS CG C 22.357 0.300 1 1032 705 88 LYS CD C 26.626 0.300 1 1033 705 88 LYS CE C 39.696 0.300 1 1034 705 88 LYS N N 112.917 0.300 1 1035 706 89 ASN H H 8.172 0.020 1 1036 706 89 ASN HA H 4.701 0.020 1 1037 706 89 ASN HB2 H 2.547 0.020 1 1038 706 89 ASN HB3 H 2.682 0.020 1 1039 706 89 ASN HD21 H 8.307 0.020 1 1040 706 89 ASN HD22 H 6.812 0.020 1 1041 706 89 ASN C C 173.350 0.300 1 1042 706 89 ASN CA C 47.313 0.300 1 1043 706 89 ASN CB C 33.707 0.300 1 1044 706 89 ASN N N 119.282 0.300 1 1045 706 89 ASN ND2 N 114.005 0.300 1 1046 707 90 TYR H H 6.974 0.020 1 1047 707 90 TYR HA H 3.950 0.020 1 1048 707 90 TYR HB2 H 2.663 0.020 1 1049 707 90 TYR HB3 H 2.943 0.020 1 1050 707 90 TYR HD1 H 6.823 0.020 3 1051 707 90 TYR HD2 H 6.823 0.020 3 1052 707 90 TYR HE1 H 6.767 0.020 3 1053 707 90 TYR HE2 H 6.767 0.020 3 1054 707 90 TYR C C 174.384 0.300 1 1055 707 90 TYR CA C 57.218 0.300 1 1056 707 90 TYR CB C 34.213 0.300 1 1057 707 90 TYR CD1 C 128.347 0.300 1 1058 707 90 TYR CE1 C 116.357 0.300 1 1059 707 90 TYR N N 119.917 0.300 1 1060 708 91 GLN H H 8.739 0.020 1 1061 708 91 GLN HA H 3.856 0.020 1 1062 708 91 GLN HB2 H 1.920 0.020 1 1063 708 91 GLN HB3 H 1.952 0.020 1 1064 708 91 GLN HG2 H 2.259 0.020 2 1065 708 91 GLN HG3 H 2.259 0.020 2 1066 708 91 GLN HE21 H 7.260 0.020 1 1067 708 91 GLN HE22 H 6.788 0.020 1 1068 708 91 GLN C C 176.079 0.300 1 1069 708 91 GLN CA C 56.745 0.300 1 1070 708 91 GLN CB C 24.833 0.300 1 1071 708 91 GLN CG C 30.943 0.300 1 1072 708 91 GLN N N 118.208 0.300 1 1073 708 91 GLN NE2 N 111.749 0.300 1 1074 709 92 LYS H H 7.121 0.020 1 1075 709 92 LYS HA H 3.618 0.020 1 1076 709 92 LYS HB2 H 0.281 0.020 1 1077 709 92 LYS HB3 H 0.596 0.020 1 1078 709 92 LYS HG2 H 0.931 0.020 1 1079 709 92 LYS HG3 H 1.121 0.020 1 1080 709 92 LYS HD2 H 1.123 0.020 1 1081 709 92 LYS HD3 H 1.218 0.020 1 1082 709 92 LYS HE2 H 2.722 0.020 2 1083 709 92 LYS HE3 H 2.722 0.020 2 1084 709 92 LYS C C 176.367 0.300 1 1085 709 92 LYS CA C 56.222 0.300 1 1086 709 92 LYS CB C 27.227 0.300 1 1087 709 92 LYS CG C 22.959 0.300 1 1088 709 92 LYS CD C 26.290 0.300 1 1089 709 92 LYS CE C 39.145 0.300 1 1090 709 92 LYS N N 116.907 0.300 1 1091 710 93 SER H H 7.658 0.020 1 1092 710 93 SER HA H 3.972 0.020 1 1093 710 93 SER HB2 H 3.811 0.020 1 1094 710 93 SER HB3 H 4.067 0.020 1 1095 710 93 SER HG H 4.049 0.020 1 1096 710 93 SER C C 173.349 0.300 1 1097 710 93 SER CA C 60.301 0.300 1 1098 710 93 SER CB C 60.750 0.300 1 1099 710 93 SER N N 113.693 0.300 1 1100 711 94 LEU H H 7.956 0.020 1 1101 711 94 LEU HA H 3.757 0.020 1 1102 711 94 LEU HB2 H 1.461 0.020 1 1103 711 94 LEU HB3 H 1.708 0.020 1 1104 711 94 LEU HG H 1.640 0.020 1 1105 711 94 LEU HD1 H 0.681 0.020 2 1106 711 94 LEU HD2 H 0.699 0.020 2 1107 711 94 LEU C C 176.079 0.300 1 1108 711 94 LEU CA C 55.643 0.300 1 1109 711 94 LEU CB C 39.149 0.300 1 1110 711 94 LEU CG C 23.761 0.300 1 1111 711 94 LEU CD1 C 23.243 0.300 1 1112 711 94 LEU CD2 C 22.021 0.300 1 1113 711 94 LEU N N 117.414 0.300 1 1114 712 95 ILE H H 7.294 0.020 1 1115 712 95 ILE HA H 3.548 0.020 1 1116 712 95 ILE HB H 1.721 0.020 1 1117 712 95 ILE HG12 H 0.991 0.020 1 1118 712 95 ILE HG13 H 1.604 0.020 1 1119 712 95 ILE HG2 H 0.783 0.020 1 1120 712 95 ILE HD1 H 0.653 0.020 1 1121 712 95 ILE C C 176.453 0.300 1 1122 712 95 ILE CA C 62.297 0.300 1 1123 712 95 ILE CB C 35.192 0.300 1 1124 712 95 ILE CG1 C 26.086 0.300 1 1125 712 95 ILE CG2 C 14.298 0.300 1 1126 712 95 ILE CD1 C 10.302 0.300 1 1127 712 95 ILE N N 119.045 0.300 1 1128 713 96 ASP H H 7.185 0.020 1 1129 713 96 ASP HA H 4.471 0.020 1 1130 713 96 ASP HB2 H 2.596 0.020 1 1131 713 96 ASP HB3 H 3.146 0.020 1 1132 713 96 ASP C C 176.026 0.300 1 1133 713 96 ASP CA C 55.211 0.300 1 1134 713 96 ASP CB C 38.267 0.300 1 1135 713 96 ASP N N 121.645 0.300 1 1136 714 97 LEU H H 8.655 0.020 1 1137 714 97 LEU HA H 3.854 0.020 1 1138 714 97 LEU HB2 H 1.163 0.020 1 1139 714 97 LEU HB3 H 1.856 0.020 1 1140 714 97 LEU HG H 1.850 0.020 1 1141 714 97 LEU HD1 H 0.610 0.020 2 1142 714 97 LEU HD2 H 0.832 0.020 2 1143 714 97 LEU C C 175.930 0.300 1 1144 714 97 LEU CA C 55.451 0.300 1 1145 714 97 LEU CB C 39.501 0.300 1 1146 714 97 LEU CG C 23.769 0.300 1 1147 714 97 LEU CD1 C 22.443 0.300 1 1148 714 97 LEU CD2 C 19.439 0.300 1 1149 714 97 LEU N N 120.706 0.300 1 1150 715 98 ASN H H 8.367 0.020 1 1151 715 98 ASN HA H 4.184 0.020 1 1152 715 98 ASN HB2 H 2.377 0.020 1 1153 715 98 ASN HB3 H 2.693 0.020 1 1154 715 98 ASN HD21 H 7.003 0.020 1 1155 715 98 ASN HD22 H 6.785 0.020 1 1156 715 98 ASN C C 175.258 0.300 1 1157 715 98 ASN CA C 53.584 0.300 1 1158 715 98 ASN CB C 35.565 0.300 1 1159 715 98 ASN N N 116.196 0.300 1 1160 715 98 ASN ND2 N 112.256 0.300 1 1161 716 99 LYS H H 7.261 0.020 1 1162 716 99 LYS HA H 3.787 0.020 1 1163 716 99 LYS HB2 H 1.231 0.020 1 1164 716 99 LYS HB3 H 1.437 0.020 1 1165 716 99 LYS HG2 H 0.354 0.020 1 1166 716 99 LYS HG3 H 0.667 0.020 1 1167 716 99 LYS HD2 H 1.075 0.020 1 1168 716 99 LYS HD3 H 1.154 0.020 1 1169 716 99 LYS HE2 H 2.547 0.020 2 1170 716 99 LYS HE3 H 2.547 0.020 2 1171 716 99 LYS C C 174.981 0.300 1 1172 716 99 LYS CA C 55.575 0.300 1 1173 716 99 LYS CB C 28.103 0.300 1 1174 716 99 LYS CG C 20.463 0.300 1 1175 716 99 LYS CD C 25.218 0.300 1 1176 716 99 LYS CE C 39.178 0.300 1 1177 716 99 LYS N N 120.578 0.300 1 1178 717 100 VAL H H 7.692 0.020 1 1179 717 100 VAL HA H 3.206 0.020 1 1180 717 100 VAL HB H 2.314 0.020 1 1181 717 100 VAL HG1 H 0.761 0.020 2 1182 717 100 VAL HG2 H 1.190 0.020 2 1183 717 100 VAL C C 173.264 0.300 1 1184 717 100 VAL CA C 64.535 0.300 1 1185 717 100 VAL CB C 28.466 0.300 1 1186 717 100 VAL CG1 C 19.181 0.300 1 1187 717 100 VAL CG2 C 21.470 0.300 1 1188 717 100 VAL N N 119.037 0.300 1 1189 718 101 ILE H H 7.594 0.020 1 1190 718 101 ILE HA H 3.547 0.020 1 1191 718 101 ILE HB H 1.573 0.020 1 1192 718 101 ILE HG12 H 0.988 0.020 1 1193 718 101 ILE HG13 H 1.460 0.020 1 1194 718 101 ILE HG2 H 0.728 0.020 1 1195 718 101 ILE HD1 H 0.616 0.020 1 1196 718 101 ILE C C 174.832 0.300 1 1197 718 101 ILE CA C 60.813 0.300 1 1198 718 101 ILE CB C 35.694 0.300 1 1199 718 101 ILE CG1 C 26.412 0.300 1 1200 718 101 ILE CG2 C 14.354 0.300 1 1201 718 101 ILE CD1 C 11.366 0.300 1 1202 718 101 ILE N N 116.090 0.300 1 1203 719 102 LEU H H 7.172 0.020 1 1204 719 102 LEU HA H 3.959 0.020 1 1205 719 102 LEU HB2 H 1.546 0.020 2 1206 719 102 LEU HB3 H 1.546 0.020 2 1207 719 102 LEU HG H 1.440 0.020 1 1208 719 102 LEU HD1 H 0.700 0.020 2 1209 719 102 LEU HD2 H 0.715 0.020 2 1210 719 102 LEU C C 176.421 0.300 1 1211 719 102 LEU CA C 54.157 0.300 1 1212 719 102 LEU CB C 39.743 0.300 1 1213 719 102 LEU CG C 23.960 0.300 1 1214 719 102 LEU CD1 C 21.628 0.300 1 1215 719 102 LEU CD2 C 21.459 0.300 1 1216 719 102 LEU N N 118.610 0.300 1 1217 720 103 LEU H H 7.841 0.020 1 1218 720 103 LEU HA H 3.980 0.020 1 1219 720 103 LEU HB2 H 1.253 0.020 1 1220 720 103 LEU HB3 H 1.774 0.020 1 1221 720 103 LEU HG H 1.653 0.020 1 1222 720 103 LEU HD1 H 0.704 0.020 2 1223 720 103 LEU HD2 H 0.767 0.020 2 1224 720 103 LEU C C 176.133 0.300 1 1225 720 103 LEU CA C 54.163 0.300 1 1226 720 103 LEU CB C 40.128 0.300 1 1227 720 103 LEU CG C 24.106 0.300 1 1228 720 103 LEU CD1 C 23.333 0.300 1 1229 720 103 LEU CD2 C 19.242 0.300 1 1230 720 103 LEU N N 118.866 0.300 1 1231 721 104 ASP H H 8.791 0.020 1 1232 721 104 ASP HA H 4.742 0.020 1 1233 721 104 ASP HB2 H 2.300 0.020 1 1234 721 104 ASP HB3 H 2.911 0.020 1 1235 721 104 ASP C C 169.895 0.300 1 1236 721 104 ASP CA C 48.831 0.300 1 1237 721 104 ASP CB C 37.832 0.300 1 1238 721 104 ASP N N 115.383 0.300 1 1239 722 105 PRO HA H 4.463 0.020 1 1240 722 105 PRO HB2 H 1.889 0.020 1 1241 722 105 PRO HB3 H 2.346 0.020 1 1242 722 105 PRO HG2 H 1.841 0.020 1 1243 722 105 PRO HG3 H 1.971 0.020 1 1244 722 105 PRO HD2 H 3.376 0.020 1 1245 722 105 PRO HD3 H 3.721 0.020 1 1246 722 105 PRO C C 174.128 0.300 1 1247 722 105 PRO CA C 60.606 0.300 1 1248 722 105 PRO CB C 29.048 0.300 1 1249 722 105 PRO CG C 23.632 0.300 1 1250 722 105 PRO CD C 47.590 0.300 1 1251 723 106 SER H H 8.186 0.020 1 1252 723 106 SER HA H 4.221 0.020 1 1253 723 106 SER HB2 H 3.708 0.020 1 1254 723 106 SER HB3 H 3.913 0.020 1 1255 723 106 SER C C 172.358 0.300 1 1256 723 106 SER CA C 56.870 0.300 1 1257 723 106 SER CB C 60.809 0.300 1 1258 723 106 SER N N 114.532 0.300 1 1259 724 107 ILE H H 6.998 0.020 1 1260 724 107 ILE HA H 4.030 0.020 1 1261 724 107 ILE HB H 1.655 0.020 1 1262 724 107 ILE HG12 H 0.870 0.020 1 1263 724 107 ILE HG13 H 1.278 0.020 1 1264 724 107 ILE HG2 H 0.546 0.020 1 1265 724 107 ILE HD1 H 0.624 0.020 1 1266 724 107 ILE C C 174.017 0.300 1 1267 724 107 ILE CA C 57.417 0.300 1 1268 724 107 ILE CB C 32.412 0.300 1 1269 724 107 ILE CG1 C 24.122 0.300 1 1270 724 107 ILE CG2 C 14.940 0.300 1 1271 724 107 ILE CD1 C 10.067 0.300 1 1272 724 107 ILE N N 122.561 0.300 1 1273 725 108 ILE H H 8.089 0.020 1 1274 725 108 ILE HA H 3.697 0.020 1 1275 725 108 ILE HB H 1.816 0.020 1 1276 725 108 ILE HG12 H 1.249 0.020 1 1277 725 108 ILE HG13 H 1.391 0.020 1 1278 725 108 ILE HG2 H 0.855 0.020 1 1279 725 108 ILE HD1 H 0.758 0.020 1 1280 725 108 ILE C C 175.685 0.300 1 1281 725 108 ILE CA C 60.852 0.300 1 1282 725 108 ILE CB C 34.848 0.300 1 1283 725 108 ILE CG1 C 25.118 0.300 1 1284 725 108 ILE CG2 C 14.958 0.300 1 1285 725 108 ILE CD1 C 9.712 0.300 1 1286 725 108 ILE N N 130.896 0.300 1 1287 726 109 GLU H H 9.752 0.020 1 1288 726 109 GLU HA H 3.989 0.020 1 1289 726 109 GLU HB2 H 1.785 0.020 1 1290 726 109 GLU HB3 H 2.009 0.020 1 1291 726 109 GLU HG2 H 2.122 0.020 1 1292 726 109 GLU HG3 H 2.187 0.020 1 1293 726 109 GLU C C 175.749 0.300 1 1294 726 109 GLU CA C 57.094 0.300 1 1295 726 109 GLU CB C 25.719 0.300 1 1296 726 109 GLU CG C 33.909 0.300 1 1297 726 109 GLU N N 121.494 0.300 1 1298 727 110 ALA H H 7.095 0.020 1 1299 727 110 ALA HA H 4.069 0.020 1 1300 727 110 ALA HB H 1.252 0.020 1 1301 727 110 ALA C C 175.715 0.300 1 1302 727 110 ALA CA C 52.125 0.300 1 1303 727 110 ALA CB C 15.615 0.300 1 1304 727 110 ALA N N 118.667 0.300 1 1305 728 111 LYS H H 7.047 0.020 1 1306 728 111 LYS HA H 3.852 0.020 1 1307 728 111 LYS HB2 H 1.875 0.020 2 1308 728 111 LYS HB3 H 1.875 0.020 2 1309 728 111 LYS HG2 H 1.291 0.020 1 1310 728 111 LYS HG3 H 1.423 0.020 1 1311 728 111 LYS HD2 H 1.576 0.020 2 1312 728 111 LYS HD3 H 1.576 0.020 2 1313 728 111 LYS HE2 H 2.824 0.020 2 1314 728 111 LYS HE3 H 2.824 0.020 2 1315 728 111 LYS C C 176.478 0.300 1 1316 728 111 LYS CA C 56.770 0.300 1 1317 728 111 LYS CB C 29.098 0.300 1 1318 728 111 LYS CG C 22.819 0.300 1 1319 728 111 LYS CD C 26.682 0.300 1 1320 728 111 LYS CE C 39.199 0.300 1 1321 728 111 LYS N N 117.673 0.300 1 1322 729 112 MET H H 7.668 0.020 1 1323 729 112 MET HA H 4.107 0.020 1 1324 729 112 MET HB2 H 2.077 0.020 1 1325 729 112 MET HB3 H 2.456 0.020 1 1326 729 112 MET HG2 H 2.443 0.020 1 1327 729 112 MET HG3 H 2.575 0.020 1 1328 729 112 MET HE H 1.955 0.020 1 1329 729 112 MET C C 176.958 0.300 1 1330 729 112 MET CA C 55.551 0.300 1 1331 729 112 MET CB C 29.040 0.300 1 1332 729 112 MET CG C 28.929 0.300 1 1333 729 112 MET CE C 13.977 0.300 1 1334 729 112 MET N N 118.858 0.300 1 1335 730 113 GLU H H 8.120 0.020 1 1336 730 113 GLU HA H 4.026 0.020 1 1337 730 113 GLU HB2 H 2.000 0.020 2 1338 730 113 GLU HB3 H 2.000 0.020 2 1339 730 113 GLU HG2 H 2.226 0.020 1 1340 730 113 GLU HG3 H 2.303 0.020 1 1341 730 113 GLU C C 175.073 0.300 1 1342 730 113 GLU CA C 55.680 0.300 1 1343 730 113 GLU CB C 26.357 0.300 1 1344 730 113 GLU CG C 32.886 0.300 1 1345 730 113 GLU N N 120.846 0.300 1 1346 731 114 LEU H H 8.176 0.020 1 1347 731 114 LEU HA H 3.695 0.020 1 1348 731 114 LEU HB2 H 1.549 0.020 1 1349 731 114 LEU HB3 H 1.800 0.020 1 1350 731 114 LEU HD1 H 0.698 0.020 2 1351 731 114 LEU HD2 H 1.387 0.020 2 1352 731 114 LEU C C 177.402 0.300 1 1353 731 114 LEU CA C 56.127 0.300 1 1354 731 114 LEU CB C 38.991 0.300 1 1355 731 114 LEU CD1 C 22.804 0.300 1 1356 731 114 LEU CD2 C 24.059 0.300 1 1357 731 114 LEU N N 121.142 0.300 1 1358 732 115 GLU H H 7.473 0.020 1 1359 732 115 GLU HA H 3.840 0.020 1 1360 732 115 GLU HB2 H 2.005 0.020 1 1361 732 115 GLU HB3 H 2.024 0.020 1 1362 732 115 GLU HG2 H 2.141 0.020 1 1363 732 115 GLU HG3 H 2.322 0.020 1 1364 732 115 GLU C C 175.909 0.300 1 1365 732 115 GLU CA C 56.743 0.300 1 1366 732 115 GLU CB C 26.373 0.300 1 1367 732 115 GLU CG C 33.220 0.300 1 1368 732 115 GLU N N 120.498 0.300 1 1369 733 116 GLU H H 7.585 0.020 1 1370 733 116 GLU HA H 4.109 0.020 1 1371 733 116 GLU HB2 H 1.886 0.020 1 1372 733 116 GLU HB3 H 1.981 0.020 1 1373 733 116 GLU HG2 H 2.020 0.020 1 1374 733 116 GLU HG3 H 2.141 0.020 1 1375 733 116 GLU C C 175.518 0.300 1 1376 733 116 GLU CA C 56.048 0.300 1 1377 733 116 GLU CB C 26.345 0.300 1 1378 733 116 GLU CG C 32.123 0.300 1 1379 733 116 GLU N N 121.315 0.300 1 1380 734 117 VAL H H 9.139 0.020 1 1381 734 117 VAL HA H 3.212 0.020 1 1382 734 117 VAL HB H 1.856 0.020 1 1383 734 117 VAL HG1 H 0.867 0.020 2 1384 734 117 VAL HG2 H 0.950 0.020 2 1385 734 117 VAL C C 174.486 0.300 1 1386 734 117 VAL CA C 64.211 0.300 1 1387 734 117 VAL CB C 28.634 0.300 1 1388 734 117 VAL CG1 C 20.505 0.300 1 1389 734 117 VAL CG2 C 20.785 0.300 1 1390 734 117 VAL N N 119.259 0.300 1 1391 735 118 THR H H 7.882 0.020 1 1392 735 118 THR HA H 3.535 0.020 1 1393 735 118 THR HB H 4.107 0.020 1 1394 735 118 THR HG1 H 4.979 0.020 1 1395 735 118 THR HG2 H 1.019 0.020 1 1396 735 118 THR C C 172.904 0.300 1 1397 735 118 THR CA C 65.248 0.300 1 1398 735 118 THR CB C 65.540 0.300 1 1399 735 118 THR CG2 C 17.902 0.300 1 1400 735 118 THR N N 116.243 0.300 1 1401 736 119 ARG H H 7.395 0.020 1 1402 736 119 ARG HA H 3.828 0.020 1 1403 736 119 ARG HB2 H 1.743 0.020 1 1404 736 119 ARG HB3 H 1.914 0.020 1 1405 736 119 ARG HG2 H 1.255 0.020 1 1406 736 119 ARG HG3 H 1.545 0.020 1 1407 736 119 ARG HD2 H 2.970 0.020 1 1408 736 119 ARG HD3 H 3.141 0.020 1 1409 736 119 ARG HE H 7.575 0.020 1 1410 736 119 ARG C C 176.513 0.300 1 1411 736 119 ARG CA C 56.795 0.300 1 1412 736 119 ARG CB C 27.085 0.300 1 1413 736 119 ARG CG C 25.005 0.300 1 1414 736 119 ARG CD C 40.274 0.300 1 1415 736 119 ARG N N 121.966 0.300 1 1416 736 119 ARG NE N 79.163 0.300 1 1417 737 120 LEU H H 7.725 0.020 1 1418 737 120 LEU HA H 3.639 0.020 1 1419 737 120 LEU HB2 H 0.364 0.020 1 1420 737 120 LEU HB3 H 1.016 0.020 1 1421 737 120 LEU HG H 1.482 0.020 1 1422 737 120 LEU HD1 H 0.507 0.020 2 1423 737 120 LEU HD2 H 0.594 0.020 2 1424 737 120 LEU C C 176.495 0.300 1 1425 737 120 LEU CA C 54.557 0.300 1 1426 737 120 LEU CB C 37.461 0.300 1 1427 737 120 LEU CG C 23.591 0.300 1 1428 737 120 LEU CD1 C 22.757 0.300 1 1429 737 120 LEU CD2 C 19.505 0.300 1 1430 737 120 LEU N N 119.553 0.300 1 1431 738 121 LEU H H 7.877 0.020 1 1432 738 121 LEU HA H 3.883 0.020 1 1433 738 121 LEU HB2 H 1.447 0.020 1 1434 738 121 LEU HB3 H 1.673 0.020 1 1435 738 121 LEU HG H 1.451 0.020 1 1436 738 121 LEU HD1 H 0.756 0.020 2 1437 738 121 LEU HD2 H 0.790 0.020 2 1438 738 121 LEU C C 174.920 0.300 1 1439 738 121 LEU CA C 54.455 0.300 1 1440 738 121 LEU CB C 39.685 0.300 1 1441 738 121 LEU CG C 24.029 0.300 1 1442 738 121 LEU CD1 C 22.780 0.300 1 1443 738 121 LEU CD2 C 22.129 0.300 1 1444 738 121 LEU N N 119.671 0.300 1 1445 739 122 ASN H H 7.436 0.020 1 1446 739 122 ASN HA H 4.488 0.020 1 1447 739 122 ASN HB2 H 2.553 0.020 1 1448 739 122 ASN HB3 H 2.771 0.020 1 1449 739 122 ASN HD21 H 7.403 0.020 1 1450 739 122 ASN HD22 H 6.885 0.020 1 1451 739 122 ASN C C 172.300 0.300 1 1452 739 122 ASN CA C 50.865 0.300 1 1453 739 122 ASN CB C 36.190 0.300 1 1454 739 122 ASN N N 115.060 0.300 1 1455 739 122 ASN ND2 N 113.125 0.300 1 1456 740 123 LEU H H 7.369 0.020 1 1457 740 123 LEU HA H 4.132 0.020 1 1458 740 123 LEU HB2 H 1.495 0.020 1 1459 740 123 LEU HB3 H 1.630 0.020 1 1460 740 123 LEU HG H 1.635 0.020 1 1461 740 123 LEU HD1 H 0.734 0.020 2 1462 740 123 LEU HD2 H 0.791 0.020 2 1463 740 123 LEU C C 174.326 0.300 1 1464 740 123 LEU CA C 52.863 0.300 1 1465 740 123 LEU CB C 39.415 0.300 1 1466 740 123 LEU CG C 23.451 0.300 1 1467 740 123 LEU CD1 C 20.518 0.300 1 1468 740 123 LEU CD2 C 22.144 0.300 1 1469 740 123 LEU N N 121.211 0.300 1 1470 741 124 LYS H H 8.065 0.020 1 1471 741 124 LYS HA H 4.252 0.020 1 1472 741 124 LYS HB2 H 1.677 0.020 1 1473 741 124 LYS HB3 H 1.798 0.020 1 1474 741 124 LYS HG2 H 1.364 0.020 2 1475 741 124 LYS HG3 H 1.364 0.020 2 1476 741 124 LYS HD2 H 1.587 0.020 2 1477 741 124 LYS HD3 H 1.587 0.020 2 1478 741 124 LYS HE2 H 2.895 0.020 2 1479 741 124 LYS HE3 H 2.895 0.020 2 1480 741 124 LYS C C 172.513 0.300 1 1481 741 124 LYS CA C 53.092 0.300 1 1482 741 124 LYS CB C 30.121 0.300 1 1483 741 124 LYS CG C 21.466 0.300 1 1484 741 124 LYS CD C 26.212 0.300 1 1485 741 124 LYS CE C 39.412 0.300 1 1486 741 124 LYS N N 122.412 0.300 1 1487 742 125 ASP H H 7.839 0.020 1 1488 742 125 ASP HA H 4.253 0.020 1 1489 742 125 ASP HB2 H 2.431 0.020 1 1490 742 125 ASP HB3 H 2.530 0.020 1 1491 742 125 ASP C C 178.078 0.300 1 1492 742 125 ASP CA C 53.128 0.300 1 1493 742 125 ASP CB C 39.271 0.300 1 1494 742 125 ASP N N 126.878 0.300 1 stop_ save_