data_30135 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of the C-terminal Helical Repeat Domain of Elongation Factor 2 Kinase ; _BMRB_accession_number 30135 _BMRB_flat_file_name bmr30135.str _Entry_type original _Submission_date 2016-07-07 _Accession_date 2016-07-07 _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 Piserchio A. . . 2 Will N. . . 3 Snyder I. . . 4 Ferguson S. B. . 5 Giles D. H. . 6 Dalby K. N. . 7 Ghose R. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 532 "13C chemical shifts" 416 "15N chemical shifts" 109 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-02-23 update BMRB 'update entry citation' 2016-09-09 original author 'original release' stop_ _Original_release_date 2016-09-09 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of the C-terminal Helical Repeat Domain of Eukaryotic Elongation Factor 2 Kinase. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27571275 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Will N. . . 2 Piserchio A. . . 3 Snyder I. . . 4 Ferguson S. B. . 5 Giles D. H. . 6 Dalby K. N. . 7 Ghose R. . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 55 _Journal_issue 38 _Journal_ASTM BICHAW _Journal_ISSN 0006-2960 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5377 _Page_last 5386 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Eukaryotic elongation factor 2 kinase (E.C.2.7.11.20)' _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 11856.014 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 103 _Mol_residue_sequence ; GSHMSPDRCQDWLEALHWYN TALEMTDCDEGGEYDGMQDE PRYMMLAREAEMLFTGGYGL EKDPQRSGDLYTQAAEAAME AMKGRLANQYYQKAEEAWAQ MEE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 623 GLY 2 624 SER 3 625 HIS 4 626 MET 5 627 SER 6 628 PRO 7 629 ASP 8 630 ARG 9 631 CYS 10 632 GLN 11 633 ASP 12 634 TRP 13 635 LEU 14 636 GLU 15 637 ALA 16 638 LEU 17 639 HIS 18 640 TRP 19 641 TYR 20 642 ASN 21 643 THR 22 644 ALA 23 645 LEU 24 646 GLU 25 647 MET 26 648 THR 27 649 ASP 28 650 CYS 29 651 ASP 30 652 GLU 31 653 GLY 32 654 GLY 33 655 GLU 34 656 TYR 35 657 ASP 36 658 GLY 37 659 MET 38 660 GLN 39 661 ASP 40 662 GLU 41 663 PRO 42 664 ARG 43 665 TYR 44 666 MET 45 667 MET 46 668 LEU 47 669 ALA 48 670 ARG 49 671 GLU 50 672 ALA 51 673 GLU 52 674 MET 53 675 LEU 54 676 PHE 55 677 THR 56 678 GLY 57 679 GLY 58 680 TYR 59 681 GLY 60 682 LEU 61 683 GLU 62 684 LYS 63 685 ASP 64 686 PRO 65 687 GLN 66 688 ARG 67 689 SER 68 690 GLY 69 691 ASP 70 692 LEU 71 693 TYR 72 694 THR 73 695 GLN 74 696 ALA 75 697 ALA 76 698 GLU 77 699 ALA 78 700 ALA 79 701 MET 80 702 GLU 81 703 ALA 82 704 MET 83 705 LYS 84 706 GLY 85 707 ARG 86 708 LEU 87 709 ALA 88 710 ASN 89 711 GLN 90 712 TYR 91 713 TYR 92 714 GLN 93 715 LYS 94 716 ALA 95 717 GLU 96 718 GLU 97 719 ALA 98 720 TRP 99 721 ALA 100 722 GLN 101 723 MET 102 724 GLU 103 725 GLU 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 EEF2K stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli . pET15b S3 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '600 uM [U-99% 13C; U-99% 15N] eEF2K_627-725, 50 mM sodium phosphate, 4 mM DTT, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling DTT 4 mM 'natural abundance' $entity_1 600 uM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 50 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '300 uM [U-99% 13C; U-99% 15N] eEF2K_627-725, 50 mM sodium phosphate, 4 mM DTT, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling DTT 4 mM 'natural abundance' $entity_1 300 uM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 50 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type 'filamentous virus' _Details '300 uM [U-99% 13C; U-99% 1 eEF2K_627-725, 15 mg/mL Pf1 phage (ASLA Ltd), 50 mM sodium phosphate, 4 mM DTT, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling DTT 4 mM 'natural abundance' 'Pf1 phage (ASLA Ltd)' 15 mg/mL 'natural abundance' $entity_1 300 uM '[U-99% 13C; U-99% 1' 'sodium phosphate' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name WhatIF _Version . loop_ _Vendor _Address _Electronic_address Vriend . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 700 _Details . save_ save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_NMR_spectrometer_5 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HNCACO_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _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_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_H(CC)CONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name H(CC)CONH _Sample_label $sample_1 save_ save_(H)CCCONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CCCONH _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY aromatic' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_15N_IPAP_12 _Saveframe_category NMR_applied_experiment _Experiment_name '15N IPAP' _Sample_label $sample_3 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' 50 . mM pH 6.5 . pH pressure 1 . atm temperature 298.15 0.2 K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.5 . pH* pressure 1 . atm temperature 298.15 0.2 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_ _Software_label $software_2 $software_3 stop_ loop_ _Experiment_label HNCO HNCACO '3D HNCACB' '3D CBCA(CO)NH' H(CC)CONH (H)CCCONH '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-15N NOESY aromatic' stop_ loop_ _Sample_label $sample_1 $sample_2 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 1 625 3 HIS HA H 4.629 0.03 1 2 625 3 HIS HB2 H 3.143 0.03 2 3 625 3 HIS HB3 H 3.004 0.03 2 4 625 3 HIS C C 174.685 0.30 1 5 625 3 HIS CA C 55.783 0.30 1 6 625 3 HIS CB C 29.152 0.30 1 7 626 4 MET H H 8.299 0.02 1 8 626 4 MET HA H 4.439 0.03 1 9 626 4 MET HB3 H 1.963 0.03 2 10 626 4 MET HG2 H 2.414 0.03 1 11 626 4 MET HE H 2.005 0.03 1 12 626 4 MET C C 175.565 0.30 1 13 626 4 MET CA C 55.198 0.30 1 14 626 4 MET CB C 32.962 0.30 1 15 626 4 MET CG C 31.608 0.30 1 16 626 4 MET CE C 17.001 0.30 1 17 626 4 MET N N 121.337 0.30 1 18 627 5 SER H H 8.312 0.02 1 19 627 5 SER HA H 4.702 0.03 1 20 627 5 SER HB2 H 3.891 0.03 2 21 627 5 SER HB3 H 3.865 0.03 2 22 627 5 SER C C 173.251 0.30 1 23 627 5 SER CA C 56.345 0.30 1 24 627 5 SER CB C 63.371 0.30 1 25 627 5 SER N N 118.377 0.30 1 26 628 6 PRO HA H 4.380 0.03 1 27 628 6 PRO HB2 H 2.224 0.03 2 28 628 6 PRO HB3 H 1.911 0.03 2 29 628 6 PRO HG2 H 1.955 0.03 1 30 628 6 PRO HD2 H 3.724 0.03 1 31 628 6 PRO C C 176.772 0.30 1 32 628 6 PRO CA C 63.881 0.30 1 33 628 6 PRO CB C 31.733 0.30 1 34 628 6 PRO CG C 27.369 0.30 1 35 628 6 PRO CD C 50.780 0.30 1 36 629 7 ASP H H 8.275 0.02 1 37 629 7 ASP HA H 4.495 0.03 1 38 629 7 ASP HB2 H 2.678 0.03 2 39 629 7 ASP HB3 H 2.593 0.03 2 40 629 7 ASP C C 176.280 0.30 1 41 629 7 ASP CA C 54.628 0.30 1 42 629 7 ASP CB C 40.726 0.30 1 43 629 7 ASP N N 118.420 0.30 1 44 630 8 ARG H H 7.992 0.02 1 45 630 8 ARG HA H 4.336 0.03 1 46 630 8 ARG HB2 H 1.868 0.03 2 47 630 8 ARG HB3 H 1.767 0.03 2 48 630 8 ARG HG2 H 1.585 0.03 1 49 630 8 ARG HD2 H 3.085 0.03 1 50 630 8 ARG C C 176.274 0.30 1 51 630 8 ARG CA C 56.073 0.30 1 52 630 8 ARG CB C 30.541 0.30 1 53 630 8 ARG CG C 26.893 0.30 1 54 630 8 ARG CD C 43.062 0.30 1 55 630 8 ARG N N 120.200 0.30 1 56 631 9 CYS H H 8.264 0.02 1 57 631 9 CYS HA H 4.348 0.03 1 58 631 9 CYS HB2 H 2.923 0.03 1 59 631 9 CYS C C 174.984 0.30 1 60 631 9 CYS CA C 59.050 0.30 1 61 631 9 CYS CB C 27.644 0.30 1 62 631 9 CYS N N 119.559 0.30 1 63 632 10 GLN H H 8.468 0.02 1 64 632 10 GLN HA H 4.183 0.03 1 65 632 10 GLN HB2 H 1.949 0.03 1 66 632 10 GLN HG2 H 2.285 0.03 2 67 632 10 GLN HG3 H 2.318 0.03 2 68 632 10 GLN C C 176.383 0.30 1 69 632 10 GLN CA C 56.873 0.30 1 70 632 10 GLN CB C 28.840 0.30 1 71 632 10 GLN CG C 33.773 0.30 1 72 632 10 GLN N N 121.927 0.30 1 73 633 11 ASP H H 8.248 0.02 1 74 633 11 ASP HA H 4.500 0.03 1 75 633 11 ASP HB2 H 2.655 0.03 1 76 633 11 ASP C C 177.046 0.30 1 77 633 11 ASP CA C 55.368 0.30 1 78 633 11 ASP CB C 40.679 0.30 1 79 633 11 ASP N N 120.738 0.30 1 80 634 12 TRP H H 7.997 0.02 1 81 634 12 TRP HA H 4.476 0.03 1 82 634 12 TRP HB2 H 3.293 0.03 2 83 634 12 TRP HB3 H 3.291 0.03 2 84 634 12 TRP HD1 H 7.211 0.03 1 85 634 12 TRP HE1 H 10.066 0.03 1 86 634 12 TRP HE3 H 7.400 0.03 1 87 634 12 TRP HZ2 H 7.369 0.03 1 88 634 12 TRP HZ3 H 6.950 0.03 1 89 634 12 TRP HH2 H 7.095 0.03 1 90 634 12 TRP C C 176.754 0.30 1 91 634 12 TRP CA C 58.437 0.30 1 92 634 12 TRP CB C 28.674 0.30 1 93 634 12 TRP CD1 C 126.858 0.30 1 94 634 12 TRP CE3 C 120.022 0.30 1 95 634 12 TRP CZ2 C 114.334 0.30 1 96 634 12 TRP CZ3 C 121.289 0.30 1 97 634 12 TRP CH2 C 124.483 0.30 1 98 634 12 TRP N N 121.295 0.30 1 99 634 12 TRP NE1 N 129.206 0.30 1 100 635 13 LEU H H 7.604 0.02 1 101 635 13 LEU HA H 3.802 0.03 1 102 635 13 LEU HB2 H 1.357 0.03 1 103 635 13 LEU HG H 1.200 0.03 1 104 635 13 LEU HD1 H 0.740 0.03 1 105 635 13 LEU HD1 H 0.740 0.03 2 106 635 13 LEU HD2 H 0.622 0.03 2 107 635 13 LEU C C 178.581 0.30 1 108 635 13 LEU CA C 56.589 0.30 1 109 635 13 LEU CB C 41.689 0.30 1 110 635 13 LEU CG C 26.810 0.30 1 111 635 13 LEU CD1 C 25.001 0.30 2 112 635 13 LEU CD2 C 23.720 0.30 2 113 635 13 LEU N N 121.584 0.30 1 114 636 14 GLU H H 7.930 0.02 1 115 636 14 GLU HA H 4.022 0.03 1 116 636 14 GLU HB2 H 2.039 0.03 1 117 636 14 GLU HG2 H 2.261 0.03 1 118 636 14 GLU C C 177.633 0.30 1 119 636 14 GLU CA C 57.922 0.30 1 120 636 14 GLU CB C 29.472 0.30 1 121 636 14 GLU CG C 36.229 0.30 1 122 636 14 GLU N N 119.743 0.30 1 123 637 15 ALA H H 7.835 0.02 1 124 637 15 ALA HA H 4.109 0.03 1 125 637 15 ALA HB H 1.410 0.03 1 126 637 15 ALA C C 178.594 0.30 1 127 637 15 ALA CA C 53.654 0.30 1 128 637 15 ALA CB C 18.373 0.30 1 129 637 15 ALA N N 122.166 0.30 1 130 638 16 LEU H H 7.818 0.02 1 131 638 16 LEU HA H 4.112 0.03 1 132 638 16 LEU HB2 H 1.478 0.03 1 133 638 16 LEU HG H 1.522 0.03 1 134 638 16 LEU HD1 H 0.764 0.03 2 135 638 16 LEU HD2 H 0.744 0.03 2 136 638 16 LEU C C 177.851 0.30 1 137 638 16 LEU CA C 56.129 0.30 1 138 638 16 LEU CB C 41.689 0.30 1 139 638 16 LEU CG C 26.851 0.30 1 140 638 16 LEU CD1 C 24.682 0.30 2 141 638 16 LEU CD2 C 23.577 0.30 2 142 638 16 LEU N N 118.957 0.30 1 143 639 17 HIS H H 7.986 0.02 1 144 639 17 HIS HA H 4.467 0.03 1 145 639 17 HIS HB2 H 3.147 0.03 2 146 639 17 HIS HB3 H 3.079 0.03 2 147 639 17 HIS HD2 H 6.986 0.03 1 148 639 17 HIS C C 175.764 0.30 1 149 639 17 HIS CA C 56.678 0.30 1 150 639 17 HIS CB C 29.082 0.30 1 151 639 17 HIS CD2 C 120.195 0.30 1 152 639 17 HIS N N 117.561 0.30 1 153 640 18 TRP H H 7.920 0.02 1 154 640 18 TRP HA H 4.459 0.03 1 155 640 18 TRP HB2 H 3.214 0.03 2 156 640 18 TRP HB3 H 3.203 0.03 2 157 640 18 TRP HD1 H 7.097 0.03 1 158 640 18 TRP HE1 H 10.135 0.03 1 159 640 18 TRP HE3 H 7.417 0.03 1 160 640 18 TRP HZ2 H 7.411 0.03 1 161 640 18 TRP HZ3 H 7.035 0.03 1 162 640 18 TRP HH2 H 7.136 0.03 1 163 640 18 TRP C C 176.480 0.30 1 164 640 18 TRP CA C 58.025 0.30 1 165 640 18 TRP CB C 29.129 0.30 1 166 640 18 TRP CD1 C 127.254 0.30 1 167 640 18 TRP CE3 C 120.699 0.30 1 168 640 18 TRP CZ2 C 114.637 0.30 1 169 640 18 TRP CZ3 C 120.507 0.30 1 170 640 18 TRP CH2 C 124.548 0.30 1 171 640 18 TRP N N 120.491 0.30 1 172 640 18 TRP NE1 N 129.169 0.30 1 173 641 19 TYR H H 7.827 0.02 1 174 641 19 TYR HA H 4.252 0.03 1 175 641 19 TYR HB2 H 2.915 0.03 2 176 641 19 TYR HB3 H 2.817 0.03 2 177 641 19 TYR HD2 H 6.940 0.03 3 178 641 19 TYR HE2 H 6.737 0.03 3 179 641 19 TYR C C 175.643 0.30 1 180 641 19 TYR CA C 58.676 0.30 1 181 641 19 TYR CB C 38.297 0.30 1 182 641 19 TYR CD2 C 133.263 0.30 3 183 641 19 TYR CE2 C 118.205 0.30 3 184 641 19 TYR N N 120.205 0.30 1 185 642 20 ASN H H 8.110 0.02 1 186 642 20 ASN HA H 4.571 0.03 1 187 642 20 ASN HB2 H 2.818 0.03 2 188 642 20 ASN HB3 H 2.719 0.03 2 189 642 20 ASN HD21 H 7.568 0.03 1 190 642 20 ASN HD22 H 6.906 0.03 1 191 642 20 ASN C C 175.810 0.30 1 192 642 20 ASN CA C 53.720 0.30 1 193 642 20 ASN CB C 38.709 0.30 1 194 642 20 ASN N N 118.858 0.30 1 195 642 20 ASN ND2 N 111.711 0.30 1 196 643 21 THR H H 7.930 0.02 1 197 643 21 THR HA H 4.177 0.03 1 198 643 21 THR HB H 4.214 0.03 1 199 643 21 THR HG2 H 1.165 0.03 1 200 643 21 THR C C 174.607 0.30 1 201 643 21 THR CA C 62.726 0.30 1 202 643 21 THR CB C 69.547 0.30 1 203 643 21 THR CG2 C 21.460 0.30 1 204 643 21 THR N N 113.817 0.30 1 205 644 22 ALA H H 8.065 0.02 1 206 644 22 ALA HA H 4.217 0.03 1 207 644 22 ALA HB H 1.249 0.03 1 208 644 22 ALA C C 177.882 0.30 1 209 644 22 ALA CA C 52.903 0.30 1 210 644 22 ALA CB C 18.516 0.30 1 211 644 22 ALA N N 125.092 0.30 1 212 645 23 LEU H H 7.867 0.02 1 213 645 23 LEU HA H 4.219 0.03 1 214 645 23 LEU HB2 H 1.592 0.03 2 215 645 23 LEU HB3 H 1.577 0.03 2 216 645 23 LEU HG H 1.552 0.03 1 217 645 23 LEU HD1 H 0.868 0.03 2 218 645 23 LEU HD2 H 0.821 0.03 2 219 645 23 LEU C C 177.385 0.30 1 220 645 23 LEU CA C 55.456 0.30 1 221 645 23 LEU CB C 42.259 0.30 1 222 645 23 LEU CG C 27.027 0.30 1 223 645 23 LEU CD1 C 25.049 0.30 2 224 645 23 LEU CD2 C 23.646 0.30 2 225 645 23 LEU N N 119.912 0.30 1 226 646 24 GLU H H 8.184 0.02 1 227 646 24 GLU HA H 4.240 0.03 1 228 646 24 GLU HB2 H 2.063 0.03 2 229 646 24 GLU HB3 H 1.958 0.03 2 230 646 24 GLU HG2 H 2.267 0.03 1 231 646 24 GLU C C 176.381 0.30 1 232 646 24 GLU CA C 56.597 0.30 1 233 646 24 GLU CB C 30.097 0.30 1 234 646 24 GLU CG C 35.948 0.30 1 235 646 24 GLU N N 120.268 0.30 1 236 647 25 MET H H 8.240 0.02 1 237 647 25 MET HA H 4.528 0.03 1 238 647 25 MET HB2 H 2.050 0.03 1 239 647 25 MET HG2 H 2.574 0.03 2 240 647 25 MET HG3 H 2.483 0.03 2 241 647 25 MET HE H 2.078 0.03 1 242 647 25 MET C C 176.220 0.30 1 243 647 25 MET CA C 55.487 0.30 1 244 647 25 MET CB C 32.790 0.30 1 245 647 25 MET CG C 31.834 0.30 1 246 647 25 MET CE C 17.184 0.30 1 247 647 25 MET N N 120.621 0.30 1 248 648 26 THR H H 8.116 0.02 1 249 648 26 THR HA H 4.387 0.03 1 250 648 26 THR HB H 4.255 0.03 1 251 648 26 THR HG2 H 1.204 0.03 1 252 648 26 THR C C 174.165 0.30 1 253 648 26 THR CA C 61.810 0.30 1 254 648 26 THR CB C 69.971 0.30 1 255 648 26 THR CG2 C 21.261 0.30 1 256 648 26 THR N N 114.479 0.30 1 257 649 27 ASP H H 8.412 0.02 1 258 649 27 ASP HA H 4.663 0.03 1 259 649 27 ASP HB2 H 2.747 0.03 2 260 649 27 ASP HB3 H 2.655 0.03 2 261 649 27 ASP C C 175.960 0.30 1 262 649 27 ASP CA C 54.410 0.30 1 263 649 27 ASP CB C 41.090 0.30 1 264 649 27 ASP N N 122.344 0.30 1 265 650 28 CYS H H 8.278 0.02 1 266 650 28 CYS HA H 4.531 0.03 1 267 650 28 CYS HB2 H 2.925 0.03 2 268 650 28 CYS HB3 H 2.932 0.03 2 269 650 28 CYS C C 174.126 0.30 1 270 650 28 CYS CA C 58.204 0.30 1 271 650 28 CYS CB C 28.286 0.30 1 272 650 28 CYS N N 118.958 0.30 1 273 651 29 ASP H H 8.493 0.02 1 274 651 29 ASP HA H 4.673 0.03 1 275 651 29 ASP HB2 H 2.691 0.03 2 276 651 29 ASP HB3 H 2.751 0.03 2 277 651 29 ASP C C 176.239 0.30 1 278 651 29 ASP CA C 54.442 0.30 1 279 651 29 ASP CB C 41.284 0.30 1 280 651 29 ASP N N 123.101 0.30 1 281 652 30 GLU H H 8.455 0.02 1 282 652 30 GLU HA H 4.332 0.03 1 283 652 30 GLU HB2 H 2.147 0.03 2 284 652 30 GLU HB3 H 1.972 0.03 2 285 652 30 GLU HG2 H 2.300 0.03 2 286 652 30 GLU HG3 H 2.293 0.03 2 287 652 30 GLU C C 177.053 0.30 1 288 652 30 GLU CA C 56.824 0.30 1 289 652 30 GLU CB C 30.186 0.30 1 290 652 30 GLU CG C 36.249 0.30 1 291 652 30 GLU N N 121.805 0.30 1 292 653 31 GLY H H 8.563 0.02 1 293 653 31 GLY HA2 H 4.010 0.03 1 294 653 31 GLY C C 174.697 0.30 1 295 653 31 GLY CA C 45.482 0.30 1 296 653 31 GLY N N 109.831 0.30 1 297 654 32 GLY H H 8.264 0.02 1 298 654 32 GLY HA2 H 4.018 0.03 2 299 654 32 GLY HA3 H 3.923 0.03 2 300 654 32 GLY C C 174.099 0.30 1 301 654 32 GLY CA C 45.212 0.30 1 302 654 32 GLY N N 108.690 0.30 1 303 655 33 GLU H H 8.388 0.02 1 304 655 33 GLU HA H 4.269 0.03 1 305 655 33 GLU HB2 H 1.875 0.03 1 306 655 33 GLU HG2 H 2.164 0.03 1 307 655 33 GLU C C 176.215 0.30 1 308 655 33 GLU CA C 56.550 0.30 1 309 655 33 GLU CB C 30.178 0.30 1 310 655 33 GLU CG C 36.005 0.30 1 311 655 33 GLU N N 120.413 0.30 1 312 656 34 TYR H H 8.286 0.02 1 313 656 34 TYR HA H 4.642 0.03 1 314 656 34 TYR HB2 H 3.072 0.03 2 315 656 34 TYR HB3 H 2.959 0.03 2 316 656 34 TYR HD2 H 7.077 0.03 3 317 656 34 TYR HE2 H 6.789 0.03 3 318 656 34 TYR C C 175.526 0.30 1 319 656 34 TYR CA C 57.445 0.30 1 320 656 34 TYR CB C 38.594 0.30 1 321 656 34 TYR CD2 C 133.175 0.30 3 322 656 34 TYR CE2 C 118.053 0.30 3 323 656 34 TYR N N 120.896 0.30 1 324 657 35 ASP H H 8.250 0.02 1 325 657 35 ASP HA H 4.524 0.03 1 326 657 35 ASP HB2 H 2.667 0.03 1 327 657 35 ASP C C 176.599 0.30 1 328 657 35 ASP CA C 54.261 0.30 1 329 657 35 ASP CB C 41.131 0.30 1 330 657 35 ASP N N 123.213 0.30 1 331 658 36 GLY H H 7.790 0.02 1 332 658 36 GLY HA2 H 3.943 0.03 2 333 658 36 GLY HA3 H 3.853 0.03 2 334 658 36 GLY C C 174.391 0.30 1 335 658 36 GLY CA C 45.619 0.30 1 336 658 36 GLY N N 108.813 0.30 1 337 659 37 MET H H 8.156 0.02 1 338 659 37 MET HA H 4.440 0.03 1 339 659 37 MET HB2 H 2.046 0.03 1 340 659 37 MET HG2 H 2.588 0.03 2 341 659 37 MET HG3 H 2.508 0.03 2 342 659 37 MET HE H 2.055 0.03 1 343 659 37 MET C C 176.315 0.30 1 344 659 37 MET CA C 55.718 0.30 1 345 659 37 MET CB C 32.583 0.30 1 346 659 37 MET CG C 31.818 0.30 1 347 659 37 MET CE C 17.251 0.30 1 348 659 37 MET N N 119.187 0.30 1 349 660 38 GLN H H 8.327 0.02 1 350 660 38 GLN HA H 4.320 0.03 1 351 660 38 GLN HB2 H 2.106 0.03 2 352 660 38 GLN HB3 H 1.989 0.03 2 353 660 38 GLN HG2 H 2.315 0.03 1 354 660 38 GLN HE21 H 7.547 0.03 1 355 660 38 GLN HE22 H 6.790 0.03 1 356 660 38 GLN C C 175.351 0.30 1 357 660 38 GLN CA C 55.888 0.30 1 358 660 38 GLN CB C 29.652 0.30 1 359 660 38 GLN CG C 33.421 0.30 1 360 660 38 GLN N N 120.120 0.30 1 361 660 38 GLN NE2 N 112.137 0.30 1 362 661 39 ASP H H 8.207 0.02 1 363 661 39 ASP HA H 4.562 0.03 1 364 661 39 ASP HB2 H 2.648 0.03 2 365 661 39 ASP HB3 H 2.510 0.03 2 366 661 39 ASP C C 175.370 0.30 1 367 661 39 ASP CA C 53.984 0.30 1 368 661 39 ASP CB C 41.210 0.30 1 369 661 39 ASP N N 120.359 0.30 1 370 662 40 GLU H H 8.288 0.02 1 371 662 40 GLU HA H 4.225 0.03 1 372 662 40 GLU HB2 H 1.852 0.03 2 373 662 40 GLU HB3 H 1.822 0.03 2 374 662 40 GLU HG2 H 2.129 0.03 2 375 662 40 GLU HG3 H 2.091 0.03 2 376 662 40 GLU C C 173.988 0.30 1 377 662 40 GLU CA C 54.303 0.30 1 378 662 40 GLU CB C 30.354 0.30 1 379 662 40 GLU CG C 36.001 0.30 1 380 662 40 GLU N N 122.999 0.30 1 381 663 41 PRO HA H 4.291 0.03 1 382 663 41 PRO HB2 H 2.034 0.03 2 383 663 41 PRO HB3 H 0.755 0.03 2 384 663 41 PRO HG2 H 1.901 0.03 2 385 663 41 PRO HG3 H 1.528 0.03 2 386 663 41 PRO HD2 H 3.737 0.03 2 387 663 41 PRO HD3 H 3.408 0.03 2 388 663 41 PRO C C 178.171 0.30 1 389 663 41 PRO CA C 62.099 0.30 1 390 663 41 PRO CB C 32.568 0.30 1 391 663 41 PRO CG C 27.681 0.30 1 392 663 41 PRO CD C 50.741 0.30 1 393 663 41 PRO N N 123.675 0.30 1 394 664 42 ARG H H 8.824 0.02 1 395 664 42 ARG HA H 3.951 0.03 1 396 664 42 ARG HB2 H 1.888 0.03 1 397 664 42 ARG HG2 H 1.655 0.03 2 398 664 42 ARG HG3 H 1.495 0.03 2 399 664 42 ARG HD2 H 3.272 0.03 2 400 664 42 ARG HD3 H 3.197 0.03 2 401 664 42 ARG C C 177.870 0.30 1 402 664 42 ARG CA C 59.609 0.30 1 403 664 42 ARG CB C 29.732 0.30 1 404 664 42 ARG CG C 27.711 0.30 1 405 664 42 ARG CD C 42.965 0.30 1 406 664 42 ARG N N 123.680 0.30 1 407 665 43 TYR H H 7.010 0.02 1 408 665 43 TYR HA H 4.173 0.03 1 409 665 43 TYR HB2 H 3.346 0.03 2 410 665 43 TYR HB3 H 3.090 0.03 2 411 665 43 TYR HD2 H 7.153 0.03 3 412 665 43 TYR HE2 H 6.790 0.03 3 413 665 43 TYR C C 175.623 0.30 1 414 665 43 TYR CA C 58.957 0.30 1 415 665 43 TYR CB C 37.029 0.30 1 416 665 43 TYR CD2 C 134.281 0.30 3 417 665 43 TYR CE2 C 118.928 0.30 3 418 665 43 TYR N N 109.645 0.30 1 419 666 44 MET H H 6.324 0.02 1 420 666 44 MET HA H 4.308 0.03 1 421 666 44 MET HB2 H 2.040 0.03 2 422 666 44 MET HB3 H 1.812 0.03 2 423 666 44 MET HG2 H 2.482 0.03 2 424 666 44 MET HG3 H 2.485 0.03 2 425 666 44 MET HE H 2.155 0.03 1 426 666 44 MET C C 178.352 0.30 1 427 666 44 MET CA C 58.034 0.30 1 428 666 44 MET CB C 32.418 0.30 1 429 666 44 MET CG C 32.654 0.30 1 430 666 44 MET CE C 17.251 0.30 1 431 666 44 MET N N 119.736 0.30 1 432 667 45 MET H H 7.311 0.02 1 433 667 45 MET HA H 3.952 0.03 1 434 667 45 MET HB2 H 2.059 0.03 1 435 667 45 MET HG2 H 2.515 0.03 2 436 667 45 MET HG3 H 2.393 0.03 2 437 667 45 MET HE H 2.022 0.03 1 438 667 45 MET C C 179.016 0.30 1 439 667 45 MET CA C 58.918 0.30 1 440 667 45 MET CB C 32.124 0.30 1 441 667 45 MET CG C 31.213 0.30 1 442 667 45 MET CE C 17.001 0.30 1 443 667 45 MET N N 120.433 0.30 1 444 668 46 LEU H H 7.975 0.02 1 445 668 46 LEU HA H 3.935 0.03 1 446 668 46 LEU HB2 H 1.575 0.03 2 447 668 46 LEU HB3 H 1.211 0.03 2 448 668 46 LEU HG H 1.658 0.03 1 449 668 46 LEU HD1 H 0.794 0.03 2 450 668 46 LEU HD2 H 0.669 0.03 2 451 668 46 LEU C C 177.769 0.30 1 452 668 46 LEU CA C 57.504 0.30 1 453 668 46 LEU CB C 42.759 0.30 1 454 668 46 LEU CG C 25.436 0.30 1 455 668 46 LEU CD1 C 22.300 0.30 2 456 668 46 LEU CD2 C 25.897 0.30 2 457 668 46 LEU N N 119.973 0.30 1 458 669 47 ALA H H 7.538 0.02 1 459 669 47 ALA HA H 3.363 0.03 1 460 669 47 ALA HB H 1.164 0.03 1 461 669 47 ALA C C 179.172 0.30 1 462 669 47 ALA CA C 54.442 0.30 1 463 669 47 ALA CB C 18.542 0.30 1 464 669 47 ALA N N 119.534 0.30 1 465 670 48 ARG H H 7.754 0.02 1 466 670 48 ARG HA H 4.023 0.03 1 467 670 48 ARG HB2 H 1.841 0.03 1 468 670 48 ARG HG2 H 1.677 0.03 2 469 670 48 ARG HG3 H 1.510 0.03 2 470 670 48 ARG HD2 H 3.162 0.03 1 471 670 48 ARG C C 178.988 0.30 1 472 670 48 ARG CA C 59.416 0.30 1 473 670 48 ARG CB C 29.858 0.30 1 474 670 48 ARG CG C 27.534 0.30 1 475 670 48 ARG CD C 43.171 0.30 1 476 670 48 ARG N N 118.727 0.30 1 477 671 49 GLU H H 7.450 0.02 1 478 671 49 GLU HA H 3.902 0.03 1 479 671 49 GLU HB2 H 2.001 0.03 1 480 671 49 GLU HG2 H 2.289 0.03 2 481 671 49 GLU HG3 H 2.088 0.03 2 482 671 49 GLU C C 178.494 0.30 1 483 671 49 GLU CA C 59.229 0.30 1 484 671 49 GLU CB C 29.336 0.30 1 485 671 49 GLU CG C 35.496 0.30 1 486 671 49 GLU N N 120.432 0.30 1 487 672 50 ALA H H 8.237 0.02 1 488 672 50 ALA HA H 3.562 0.03 1 489 672 50 ALA HB H 0.398 0.03 1 490 672 50 ALA C C 180.996 0.30 1 491 672 50 ALA CA C 55.375 0.30 1 492 672 50 ALA CB C 16.086 0.30 1 493 672 50 ALA N N 121.578 0.30 1 494 673 51 GLU H H 8.225 0.02 1 495 673 51 GLU HA H 4.166 0.03 1 496 673 51 GLU HB2 H 1.987 0.03 2 497 673 51 GLU HB3 H 2.145 0.03 2 498 673 51 GLU HG2 H 2.363 0.03 2 499 673 51 GLU HG3 H 2.350 0.03 2 500 673 51 GLU C C 179.215 0.30 1 501 673 51 GLU CA C 59.323 0.30 1 502 673 51 GLU CB C 29.287 0.30 1 503 673 51 GLU CG C 35.748 0.30 1 504 673 51 GLU N N 121.350 0.30 1 505 674 52 MET H H 7.635 0.02 1 506 674 52 MET HA H 4.177 0.03 1 507 674 52 MET HB2 H 2.180 0.03 2 508 674 52 MET HB3 H 2.016 0.03 2 509 674 52 MET HG2 H 2.670 0.03 2 510 674 52 MET HG3 H 2.329 0.03 2 511 674 52 MET HE H 1.934 0.03 1 512 674 52 MET C C 178.987 0.30 1 513 674 52 MET CA C 58.798 0.30 1 514 674 52 MET CB C 32.411 0.30 1 515 674 52 MET CG C 31.657 0.30 1 516 674 52 MET CE C 17.001 0.30 1 517 674 52 MET N N 118.572 0.30 1 518 675 53 LEU H H 7.667 0.02 1 519 675 53 LEU HA H 4.225 0.03 1 520 675 53 LEU HB2 H 1.766 0.03 2 521 675 53 LEU HB3 H 1.635 0.03 2 522 675 53 LEU HG H 1.805 0.03 1 523 675 53 LEU HD1 H 0.969 0.03 2 524 675 53 LEU HD2 H 0.820 0.03 2 525 675 53 LEU C C 177.204 0.30 1 526 675 53 LEU CA C 56.244 0.30 1 527 675 53 LEU CB C 42.414 0.30 1 528 675 53 LEU CG C 26.911 0.30 1 529 675 53 LEU CD1 C 23.586 0.30 2 530 675 53 LEU CD2 C 26.835 0.30 2 531 675 53 LEU N N 118.184 0.30 1 532 676 54 PHE H H 7.985 0.02 1 533 676 54 PHE HA H 4.261 0.03 1 534 676 54 PHE HB2 H 3.725 0.03 2 535 676 54 PHE HB3 H 3.417 0.03 2 536 676 54 PHE HD2 H 7.266 0.03 3 537 676 54 PHE HE2 H 7.261 0.03 3 538 676 54 PHE HZ H 7.247 0.03 1 539 676 54 PHE C C 176.870 0.30 1 540 676 54 PHE CA C 60.595 0.30 1 541 676 54 PHE CB C 39.568 0.30 1 542 676 54 PHE CD2 C 131.632 0.30 3 543 676 54 PHE CE2 C 131.369 0.30 3 544 676 54 PHE CZ C 129.631 0.30 1 545 676 54 PHE N N 120.234 0.30 1 546 677 55 THR H H 7.996 0.02 1 547 677 55 THR HA H 4.186 0.03 1 548 677 55 THR HB H 4.346 0.03 1 549 677 55 THR HG2 H 1.473 0.03 1 550 677 55 THR C C 177.596 0.30 1 551 677 55 THR CA C 62.911 0.30 1 552 677 55 THR CB C 70.747 0.30 1 553 677 55 THR CG2 C 21.663 0.30 1 554 677 55 THR N N 105.642 0.30 1 555 678 56 GLY H H 8.099 0.02 1 556 678 56 GLY HA2 H 4.174 0.03 2 557 678 56 GLY HA3 H 3.749 0.03 2 558 678 56 GLY C C 173.647 0.30 1 559 678 56 GLY CA C 45.295 0.30 1 560 678 56 GLY N N 110.612 0.30 1 561 679 57 GLY H H 8.411 0.02 1 562 679 57 GLY HA2 H 3.957 0.03 1 563 679 57 GLY C C 173.709 0.30 1 564 679 57 GLY CA C 45.103 0.30 1 565 679 57 GLY N N 106.836 0.30 1 566 680 58 TYR H H 8.657 0.02 1 567 680 58 TYR HA H 4.318 0.03 1 568 680 58 TYR HB2 H 3.151 0.03 2 569 680 58 TYR HB3 H 2.952 0.03 2 570 680 58 TYR HD2 H 7.028 0.03 3 571 680 58 TYR HE2 H 6.793 0.03 3 572 680 58 TYR C C 176.495 0.30 1 573 680 58 TYR CA C 58.901 0.30 1 574 680 58 TYR CB C 36.879 0.30 1 575 680 58 TYR CD2 C 133.341 0.30 3 576 680 58 TYR CE2 C 118.159 0.30 3 577 680 58 TYR N N 119.280 0.30 1 578 681 59 GLY H H 8.531 0.02 1 579 681 59 GLY HA2 H 4.096 0.03 2 580 681 59 GLY HA3 H 3.576 0.03 2 581 681 59 GLY C C 173.669 0.30 1 582 681 59 GLY CA C 45.384 0.30 1 583 681 59 GLY N N 110.396 0.30 1 584 682 60 LEU H H 7.628 0.02 1 585 682 60 LEU HA H 4.589 0.03 1 586 682 60 LEU HB2 H 1.530 0.03 2 587 682 60 LEU HB3 H 1.518 0.03 2 588 682 60 LEU HG H 1.552 0.03 1 589 682 60 LEU HD1 H 0.871 0.03 2 590 682 60 LEU HD2 H 0.833 0.03 2 591 682 60 LEU C C 176.440 0.30 1 592 682 60 LEU CA C 53.844 0.30 1 593 682 60 LEU CB C 43.576 0.30 1 594 682 60 LEU CG C 26.951 0.30 1 595 682 60 LEU CD1 C 25.037 0.30 2 596 682 60 LEU CD2 C 23.812 0.30 2 597 682 60 LEU N N 121.377 0.30 1 598 683 61 GLU H H 8.416 0.02 1 599 683 61 GLU HA H 4.294 0.03 1 600 683 61 GLU HB2 H 2.065 0.03 2 601 683 61 GLU HB3 H 1.926 0.03 2 602 683 61 GLU HG2 H 2.340 0.03 2 603 683 61 GLU HG3 H 2.370 0.03 2 604 683 61 GLU C C 176.088 0.30 1 605 683 61 GLU CA C 55.928 0.30 1 606 683 61 GLU CB C 30.081 0.30 1 607 683 61 GLU CG C 35.900 0.30 1 608 683 61 GLU N N 123.557 0.30 1 609 684 62 LYS H H 8.426 0.02 1 610 684 62 LYS HA H 4.155 0.03 1 611 684 62 LYS HB2 H 1.634 0.03 2 612 684 62 LYS HB3 H 1.637 0.03 2 613 684 62 LYS HG2 H 1.354 0.03 2 614 684 62 LYS HG3 H 1.177 0.03 2 615 684 62 LYS HD2 H 1.589 0.03 2 616 684 62 LYS HD3 H 1.352 0.03 2 617 684 62 LYS HE2 H 2.897 0.03 2 618 684 62 LYS HE3 H 2.897 0.03 2 619 684 62 LYS C C 176.796 0.30 1 620 684 62 LYS CA C 57.094 0.30 1 621 684 62 LYS CB C 33.177 0.30 1 622 684 62 LYS CG C 24.802 0.30 1 623 684 62 LYS CD C 29.584 0.30 1 624 684 62 LYS CE C 41.823 0.30 1 625 684 62 LYS N N 121.985 0.30 1 626 685 63 ASP H H 8.753 0.02 1 627 685 63 ASP HA H 4.952 0.03 1 628 685 63 ASP HB2 H 3.007 0.03 2 629 685 63 ASP HB3 H 2.535 0.03 2 630 685 63 ASP C C 172.677 0.30 1 631 685 63 ASP CA C 51.366 0.30 1 632 685 63 ASP CB C 42.163 0.30 1 633 685 63 ASP N N 120.620 0.30 1 634 686 64 PRO HA H 4.234 0.03 1 635 686 64 PRO HB2 H 2.704 0.03 2 636 686 64 PRO HB3 H 2.197 0.03 2 637 686 64 PRO HG2 H 2.222 0.03 2 638 686 64 PRO HG3 H 1.996 0.03 2 639 686 64 PRO HD2 H 4.074 0.03 2 640 686 64 PRO HD3 H 3.527 0.03 2 641 686 64 PRO C C 177.811 0.30 1 642 686 64 PRO CA C 65.286 0.30 1 643 686 64 PRO CB C 32.426 0.30 1 644 686 64 PRO CG C 27.614 0.30 1 645 686 64 PRO CD C 50.632 0.30 1 646 687 65 GLN H H 8.163 0.02 1 647 687 65 GLN HA H 4.230 0.03 1 648 687 65 GLN HB2 H 2.242 0.03 1 649 687 65 GLN HG2 H 2.433 0.03 1 650 687 65 GLN HE21 H 7.874 0.03 1 651 687 65 GLN HE22 H 6.721 0.03 1 652 687 65 GLN C C 178.264 0.30 1 653 687 65 GLN CA C 59.634 0.30 1 654 687 65 GLN CB C 28.646 0.30 1 655 687 65 GLN CG C 33.675 0.30 1 656 687 65 GLN N N 116.507 0.30 1 657 687 65 GLN NE2 N 114.145 0.30 1 658 688 66 ARG H H 7.722 0.02 1 659 688 66 ARG HA H 4.245 0.03 1 660 688 66 ARG HB2 H 1.749 0.03 2 661 688 66 ARG HB3 H 1.707 0.03 2 662 688 66 ARG HG2 H 1.853 0.03 2 663 688 66 ARG HG3 H 1.614 0.03 2 664 688 66 ARG HD2 H 3.286 0.03 2 665 688 66 ARG HD3 H 3.174 0.03 2 666 688 66 ARG C C 178.500 0.30 1 667 688 66 ARG CA C 58.441 0.30 1 668 688 66 ARG CB C 30.513 0.30 1 669 688 66 ARG CG C 28.049 0.30 1 670 688 66 ARG CD C 43.474 0.30 1 671 688 66 ARG N N 119.400 0.30 1 672 689 67 SER H H 8.565 0.02 1 673 689 67 SER HA H 3.843 0.03 1 674 689 67 SER HB2 H 4.001 0.03 2 675 689 67 SER HB3 H 3.915 0.03 2 676 689 67 SER C C 176.900 0.30 1 677 689 67 SER CA C 63.054 0.30 1 678 689 67 SER CB C 63.193 0.30 1 679 689 67 SER N N 112.670 0.30 1 680 690 68 GLY H H 8.260 0.02 1 681 690 68 GLY HA2 H 3.362 0.03 2 682 690 68 GLY HA3 H 2.633 0.03 2 683 690 68 GLY C C 176.292 0.30 1 684 690 68 GLY CA C 47.621 0.30 1 685 690 68 GLY N N 104.756 0.30 1 686 691 69 ASP H H 8.242 0.02 1 687 691 69 ASP HA H 4.703 0.03 1 688 691 69 ASP HB2 H 3.083 0.03 2 689 691 69 ASP HB3 H 2.899 0.03 2 690 691 69 ASP C C 179.225 0.30 1 691 691 69 ASP CA C 57.954 0.30 1 692 691 69 ASP CB C 40.577 0.30 1 693 691 69 ASP N N 124.202 0.30 1 694 692 70 LEU H H 8.590 0.02 1 695 692 70 LEU HA H 4.002 0.03 1 696 692 70 LEU HB2 H 1.676 0.03 2 697 692 70 LEU HB3 H 1.686 0.03 2 698 692 70 LEU HG H 1.202 0.03 1 699 692 70 LEU HD1 H 0.693 0.03 2 700 692 70 LEU HD2 H 0.758 0.03 2 701 692 70 LEU C C 179.614 0.30 1 702 692 70 LEU CA C 58.132 0.30 1 703 692 70 LEU CB C 42.275 0.30 1 704 692 70 LEU CG C 27.147 0.30 1 705 692 70 LEU CD1 C 26.192 0.30 2 706 692 70 LEU CD2 C 22.838 0.30 2 707 692 70 LEU N N 122.301 0.30 1 708 693 71 TYR H H 8.912 0.02 1 709 693 71 TYR HA H 3.963 0.03 1 710 693 71 TYR HB2 H 3.239 0.03 2 711 693 71 TYR HB3 H 2.517 0.03 2 712 693 71 TYR HD2 H 6.561 0.03 3 713 693 71 TYR C C 178.757 0.30 1 714 693 71 TYR CA C 63.075 0.30 1 715 693 71 TYR CB C 37.420 0.30 1 716 693 71 TYR N N 120.456 0.30 1 717 694 72 THR H H 8.069 0.02 1 718 694 72 THR HA H 3.819 0.03 1 719 694 72 THR HB H 4.689 0.03 1 720 694 72 THR HG2 H 1.509 0.03 1 721 694 72 THR C C 176.084 0.30 1 722 694 72 THR CA C 68.066 0.30 1 723 694 72 THR CB C 68.291 0.30 1 724 694 72 THR CG2 C 21.831 0.30 1 725 694 72 THR N N 117.014 0.30 1 726 695 73 GLN H H 7.976 0.02 1 727 695 73 GLN HA H 4.078 0.03 1 728 695 73 GLN HB2 H 2.155 0.03 1 729 695 73 GLN HG2 H 2.656 0.03 2 730 695 73 GLN HG3 H 2.383 0.03 2 731 695 73 GLN HE21 H 7.323 0.03 1 732 695 73 GLN HE22 H 6.653 0.03 1 733 695 73 GLN C C 179.844 0.30 1 734 695 73 GLN CA C 59.287 0.30 1 735 695 73 GLN CB C 29.077 0.30 1 736 695 73 GLN CG C 34.142 0.30 1 737 695 73 GLN N N 121.559 0.30 1 738 695 73 GLN NE2 N 110.706 0.30 1 739 696 74 ALA H H 8.905 0.02 1 740 696 74 ALA HA H 3.845 0.03 1 741 696 74 ALA HB H 1.153 0.03 1 742 696 74 ALA C C 178.599 0.30 1 743 696 74 ALA CA C 55.598 0.30 1 744 696 74 ALA CB C 17.053 0.30 1 745 696 74 ALA N N 125.056 0.30 1 746 697 75 ALA H H 8.558 0.02 1 747 697 75 ALA HA H 3.973 0.03 1 748 697 75 ALA HB H 1.013 0.03 1 749 697 75 ALA C C 179.339 0.30 1 750 697 75 ALA CA C 56.061 0.30 1 751 697 75 ALA CB C 16.847 0.30 1 752 697 75 ALA N N 122.102 0.30 1 753 698 76 GLU H H 8.147 0.02 1 754 698 76 GLU HA H 3.803 0.03 1 755 698 76 GLU HB2 H 2.030 0.03 1 756 698 76 GLU HG2 H 2.523 0.03 2 757 698 76 GLU HG3 H 2.249 0.03 2 758 698 76 GLU C C 179.548 0.30 1 759 698 76 GLU CA C 59.606 0.30 1 760 698 76 GLU CB C 29.306 0.30 1 761 698 76 GLU CG C 36.211 0.30 1 762 698 76 GLU N N 117.646 0.30 1 763 699 77 ALA H H 8.147 0.02 1 764 699 77 ALA HA H 4.322 0.03 1 765 699 77 ALA HB H 1.596 0.03 1 766 699 77 ALA C C 180.489 0.30 1 767 699 77 ALA CA C 54.582 0.30 1 768 699 77 ALA CB C 17.680 0.30 1 769 699 77 ALA N N 121.881 0.30 1 770 700 78 ALA H H 9.067 0.02 1 771 700 78 ALA HA H 3.572 0.03 1 772 700 78 ALA HB H 1.209 0.03 1 773 700 78 ALA C C 179.371 0.30 1 774 700 78 ALA CA C 55.170 0.30 1 775 700 78 ALA CB C 16.143 0.30 1 776 700 78 ALA N N 124.626 0.30 1 777 701 79 MET H H 8.537 0.02 1 778 701 79 MET HA H 4.067 0.03 1 779 701 79 MET HB2 H 2.196 0.03 1 780 701 79 MET HG2 H 2.678 0.03 1 781 701 79 MET HE H 2.086 0.03 1 782 701 79 MET C C 180.993 0.30 1 783 701 79 MET CA C 57.787 0.30 1 784 701 79 MET CB C 31.551 0.30 1 785 701 79 MET CG C 32.189 0.30 1 786 701 79 MET CE C 17.145 0.30 1 787 701 79 MET N N 119.278 0.30 1 788 702 80 GLU H H 8.044 0.02 1 789 702 80 GLU HA H 4.066 0.03 1 790 702 80 GLU HB2 H 2.211 0.03 1 791 702 80 GLU HG2 H 2.526 0.03 2 792 702 80 GLU HG3 H 2.357 0.03 2 793 702 80 GLU C C 177.178 0.30 1 794 702 80 GLU CA C 59.231 0.30 1 795 702 80 GLU CB C 29.351 0.30 1 796 702 80 GLU CG C 36.411 0.30 1 797 702 80 GLU N N 122.022 0.30 1 798 703 81 ALA H H 7.295 0.02 1 799 703 81 ALA HA H 4.525 0.03 1 800 703 81 ALA HB H 1.640 0.03 1 801 703 81 ALA C C 175.483 0.30 1 802 703 81 ALA CA C 51.578 0.30 1 803 703 81 ALA CB C 18.974 0.30 1 804 703 81 ALA N N 119.562 0.30 1 805 704 82 MET H H 7.991 0.02 1 806 704 82 MET HA H 4.057 0.03 1 807 704 82 MET HB2 H 2.459 0.03 2 808 704 82 MET HB3 H 2.324 0.03 2 809 704 82 MET HG2 H 2.615 0.03 2 810 704 82 MET HG3 H 2.478 0.03 2 811 704 82 MET HE H 2.118 0.03 1 812 704 82 MET C C 175.674 0.30 1 813 704 82 MET CA C 56.101 0.30 1 814 704 82 MET CB C 28.466 0.30 1 815 704 82 MET CG C 32.358 0.30 1 816 704 82 MET CE C 17.059 0.30 1 817 704 82 MET N N 112.828 0.30 1 818 705 83 LYS H H 8.207 0.02 1 819 705 83 LYS HA H 4.717 0.03 1 820 705 83 LYS HB2 H 1.678 0.03 2 821 705 83 LYS HB3 H 1.528 0.03 2 822 705 83 LYS HG2 H 1.301 0.03 1 823 705 83 LYS HD2 H 1.628 0.03 2 824 705 83 LYS HD3 H 1.527 0.03 2 825 705 83 LYS HE2 H 3.107 0.03 2 826 705 83 LYS HE3 H 3.021 0.03 2 827 705 83 LYS C C 176.733 0.30 1 828 705 83 LYS CA C 52.462 0.30 1 829 705 83 LYS CB C 29.536 0.30 1 830 705 83 LYS CG C 23.364 0.30 1 831 705 83 LYS CD C 28.238 0.30 1 832 705 83 LYS CE C 42.451 0.30 1 833 705 83 LYS N N 120.549 0.30 1 834 706 84 GLY H H 7.818 0.02 1 835 706 84 GLY HA2 H 3.627 0.03 2 836 706 84 GLY HA3 H 3.564 0.03 2 837 706 84 GLY C C 175.847 0.30 1 838 706 84 GLY CA C 47.814 0.30 1 839 706 84 GLY N N 108.464 0.30 1 840 707 85 ARG H H 8.504 0.02 1 841 707 85 ARG HA H 4.024 0.03 1 842 707 85 ARG HB2 H 1.808 0.03 1 843 707 85 ARG HG2 H 1.682 0.03 2 844 707 85 ARG HG3 H 1.508 0.03 2 845 707 85 ARG HD2 H 3.156 0.03 2 846 707 85 ARG HD3 H 3.162 0.03 2 847 707 85 ARG C C 179.655 0.30 1 848 707 85 ARG CA C 59.461 0.30 1 849 707 85 ARG CB C 28.964 0.30 1 850 707 85 ARG CG C 27.622 0.30 1 851 707 85 ARG CD C 43.003 0.30 1 852 707 85 ARG N N 122.015 0.30 1 853 708 86 LEU H H 7.601 0.02 1 854 708 86 LEU HA H 3.685 0.03 1 855 708 86 LEU HB2 H 1.304 0.03 2 856 708 86 LEU HB3 H 1.144 0.03 2 857 708 86 LEU HG H 1.126 0.03 1 858 708 86 LEU HD1 H 0.702 0.03 1 859 708 86 LEU C C 177.552 0.30 1 860 708 86 LEU CA C 56.864 0.30 1 861 708 86 LEU CB C 41.126 0.30 1 862 708 86 LEU CG C 26.605 0.30 1 863 708 86 LEU CD1 C 24.109 0.30 1 864 708 86 LEU N N 121.188 0.30 1 865 709 87 ALA H H 8.122 0.02 1 866 709 87 ALA HA H 3.754 0.03 1 867 709 87 ALA HB H 1.451 0.03 1 868 709 87 ALA C C 178.554 0.30 1 869 709 87 ALA CA C 55.993 0.30 1 870 709 87 ALA CB C 18.675 0.30 1 871 709 87 ALA N N 119.037 0.30 1 872 710 88 ASN H H 7.810 0.02 1 873 710 88 ASN HA H 4.560 0.03 1 874 710 88 ASN HB2 H 2.838 0.03 2 875 710 88 ASN HB3 H 2.817 0.03 2 876 710 88 ASN HD21 H 7.535 0.03 1 877 710 88 ASN HD22 H 6.948 0.03 1 878 710 88 ASN C C 177.786 0.30 1 879 710 88 ASN CA C 56.820 0.30 1 880 710 88 ASN CB C 38.747 0.30 1 881 710 88 ASN N N 113.774 0.30 1 882 710 88 ASN ND2 N 112.150 0.30 1 883 711 89 GLN H H 7.538 0.02 1 884 711 89 GLN HA H 3.978 0.03 1 885 711 89 GLN HB2 H 2.037 0.03 2 886 711 89 GLN HB3 H 1.913 0.03 2 887 711 89 GLN HG2 H 2.359 0.03 2 888 711 89 GLN HG3 H 2.108 0.03 2 889 711 89 GLN HE21 H 7.107 0.03 1 890 711 89 GLN HE22 H 6.746 0.03 1 891 711 89 GLN C C 178.935 0.30 1 892 711 89 GLN CA C 58.927 0.30 1 893 711 89 GLN CB C 28.035 0.30 1 894 711 89 GLN CG C 34.117 0.30 1 895 711 89 GLN N N 120.124 0.30 1 896 711 89 GLN NE2 N 110.267 0.30 1 897 712 90 TYR H H 8.345 0.02 1 898 712 90 TYR HA H 4.370 0.03 1 899 712 90 TYR HB2 H 3.560 0.03 2 900 712 90 TYR HB3 H 2.845 0.03 2 901 712 90 TYR HD2 H 6.592 0.03 3 902 712 90 TYR HE2 H 6.584 0.03 3 903 712 90 TYR C C 178.233 0.30 1 904 712 90 TYR CA C 57.925 0.30 1 905 712 90 TYR CB C 35.772 0.30 1 906 712 90 TYR CD2 C 130.351 0.30 3 907 712 90 TYR CE2 C 118.184 0.30 3 908 712 90 TYR N N 120.575 0.30 1 909 713 91 TYR H H 8.870 0.02 1 910 713 91 TYR HA H 4.210 0.03 1 911 713 91 TYR HB2 H 3.066 0.03 2 912 713 91 TYR HB3 H 2.967 0.03 2 913 713 91 TYR HD2 H 7.078 0.03 3 914 713 91 TYR HE2 H 6.793 0.03 3 915 713 91 TYR C C 178.956 0.30 1 916 713 91 TYR CA C 62.129 0.30 1 917 713 91 TYR CB C 37.542 0.30 1 918 713 91 TYR CD2 C 133.005 0.30 3 919 713 91 TYR CE2 C 118.000 0.30 3 920 713 91 TYR N N 120.363 0.30 1 921 714 92 GLN H H 7.862 0.02 1 922 714 92 GLN HA H 4.014 0.03 1 923 714 92 GLN HB2 H 2.143 0.03 2 924 714 92 GLN HB3 H 2.071 0.03 2 925 714 92 GLN HG2 H 2.477 0.03 2 926 714 92 GLN HG3 H 2.307 0.03 2 927 714 92 GLN HE21 H 7.489 0.03 1 928 714 92 GLN HE22 H 6.780 0.03 1 929 714 92 GLN C C 178.986 0.30 1 930 714 92 GLN CA C 59.069 0.30 1 931 714 92 GLN CB C 27.858 0.30 1 932 714 92 GLN CG C 33.757 0.30 1 933 714 92 GLN N N 119.163 0.30 1 934 714 92 GLN NE2 N 111.927 0.30 1 935 715 93 LYS H H 7.781 0.02 1 936 715 93 LYS HA H 3.633 0.03 1 937 715 93 LYS HB2 H 0.959 0.03 2 938 715 93 LYS HB3 H 0.158 0.03 2 939 715 93 LYS HG2 H 1.175 0.03 2 940 715 93 LYS HG3 H 1.053 0.03 2 941 715 93 LYS HD2 H 1.355 0.03 2 942 715 93 LYS HD3 H 1.167 0.03 2 943 715 93 LYS HE2 H 2.629 0.03 1 944 715 93 LYS C C 178.770 0.30 1 945 715 93 LYS CA C 57.793 0.30 1 946 715 93 LYS CB C 28.640 0.30 1 947 715 93 LYS CG C 24.935 0.30 1 948 715 93 LYS CD C 27.853 0.30 1 949 715 93 LYS CE C 41.602 0.30 1 950 715 93 LYS N N 120.319 0.30 1 951 716 94 ALA H H 7.925 0.02 1 952 716 94 ALA HA H 3.556 0.03 1 953 716 94 ALA HB H 1.007 0.03 1 954 716 94 ALA C C 177.829 0.30 1 955 716 94 ALA CA C 55.287 0.30 1 956 716 94 ALA CB C 17.520 0.30 1 957 716 94 ALA N N 122.154 0.30 1 958 717 95 GLU H H 7.326 0.02 1 959 717 95 GLU HA H 4.139 0.03 1 960 717 95 GLU HB2 H 2.366 0.03 2 961 717 95 GLU HB3 H 2.195 0.03 2 962 717 95 GLU HG2 H 2.492 0.03 1 963 717 95 GLU C C 179.939 0.30 1 964 717 95 GLU CA C 59.288 0.30 1 965 717 95 GLU CB C 29.172 0.30 1 966 717 95 GLU CG C 35.865 0.30 1 967 717 95 GLU N N 114.601 0.30 1 968 718 96 GLU H H 7.864 0.02 1 969 718 96 GLU HA H 4.028 0.03 1 970 718 96 GLU HB2 H 2.018 0.03 1 971 718 96 GLU HG2 H 2.451 0.03 2 972 718 96 GLU HG3 H 2.191 0.03 2 973 718 96 GLU C C 178.846 0.30 1 974 718 96 GLU CA C 59.108 0.30 1 975 718 96 GLU CB C 29.704 0.30 1 976 718 96 GLU CG C 36.159 0.30 1 977 718 96 GLU N N 119.887 0.30 1 978 719 97 ALA H H 8.071 0.02 1 979 719 97 ALA HA H 4.164 0.03 1 980 719 97 ALA HB H 1.495 0.03 1 981 719 97 ALA C C 179.865 0.30 1 982 719 97 ALA CA C 55.369 0.30 1 983 719 97 ALA CB C 16.754 0.30 1 984 719 97 ALA N N 123.206 0.30 1 985 720 98 TRP H H 8.408 0.02 1 986 720 98 TRP HA H 4.634 0.03 1 987 720 98 TRP HB2 H 3.383 0.03 2 988 720 98 TRP HB3 H 3.239 0.03 2 989 720 98 TRP HD1 H 7.228 0.03 1 990 720 98 TRP HE1 H 10.003 0.03 1 991 720 98 TRP HE3 H 7.475 0.03 1 992 720 98 TRP HZ2 H 7.578 0.03 1 993 720 98 TRP HZ3 H 7.121 0.03 1 994 720 98 TRP HH2 H 7.267 0.03 1 995 720 98 TRP C C 179.161 0.30 1 996 720 98 TRP CA C 58.148 0.30 1 997 720 98 TRP CB C 28.491 0.30 1 998 720 98 TRP CD1 C 124.087 0.30 1 999 720 98 TRP CE3 C 120.751 0.30 1 1000 720 98 TRP CZ2 C 114.432 0.30 1 1001 720 98 TRP CZ3 C 121.330 0.30 1 1002 720 98 TRP CH2 C 125.427 0.30 1 1003 720 98 TRP N N 116.332 0.30 1 1004 720 98 TRP NE1 N 126.499 0.30 1 1005 721 99 ALA H H 8.091 0.02 1 1006 721 99 ALA HA H 4.374 0.03 1 1007 721 99 ALA HB H 1.626 0.03 1 1008 721 99 ALA C C 178.935 0.30 1 1009 721 99 ALA CA C 53.872 0.30 1 1010 721 99 ALA CB C 18.158 0.30 1 1011 721 99 ALA N N 121.202 0.30 1 1012 722 100 GLN H H 7.808 0.02 1 1013 722 100 GLN HA H 4.332 0.03 1 1014 722 100 GLN HB2 H 2.357 0.03 2 1015 722 100 GLN HB3 H 2.198 0.03 2 1016 722 100 GLN HG2 H 2.583 0.03 2 1017 722 100 GLN HG3 H 2.581 0.03 2 1018 722 100 GLN HE21 H 7.361 0.03 1 1019 722 100 GLN HE22 H 6.639 0.03 1 1020 722 100 GLN C C 176.661 0.30 1 1021 722 100 GLN CA C 56.384 0.30 1 1022 722 100 GLN CB C 28.799 0.30 1 1023 722 100 GLN CG C 34.359 0.30 1 1024 722 100 GLN N N 115.982 0.30 1 1025 722 100 GLN NE2 N 111.740 0.30 1 1026 723 101 MET H H 7.827 0.02 1 1027 723 101 MET HA H 4.453 0.03 1 1028 723 101 MET HB2 H 2.245 0.03 1 1029 723 101 MET HG2 H 2.808 0.03 2 1030 723 101 MET HG3 H 2.686 0.03 2 1031 723 101 MET HE H 2.166 0.03 1 1032 723 101 MET C C 176.011 0.30 1 1033 723 101 MET CA C 56.282 0.30 1 1034 723 101 MET CB C 33.171 0.30 1 1035 723 101 MET CG C 31.557 0.30 1 1036 723 101 MET CE C 16.500 0.30 1 1037 723 101 MET N N 118.369 0.30 1 1038 724 102 GLU H H 8.182 0.02 1 1039 724 102 GLU HA H 4.415 0.03 1 1040 724 102 GLU HB2 H 2.196 0.03 2 1041 724 102 GLU HB3 H 1.990 0.03 2 1042 724 102 GLU HG2 H 2.348 0.03 2 1043 724 102 GLU HG3 H 2.557 0.03 2 1044 724 102 GLU C C 175.453 0.30 1 1045 724 102 GLU CA C 56.337 0.30 1 1046 724 102 GLU CB C 30.575 0.30 1 1047 724 102 GLU CG C 36.105 0.30 1 1048 724 102 GLU N N 121.374 0.30 1 1049 725 103 GLU H H 8.014 0.02 1 1050 725 103 GLU HA H 4.140 0.03 1 1051 725 103 GLU HB2 H 2.047 0.03 2 1052 725 103 GLU HB3 H 1.928 0.03 2 1053 725 103 GLU HG2 H 2.254 0.03 1 1054 725 103 GLU CA C 58.140 0.30 1 1055 725 103 GLU CB C 31.185 0.30 1 1056 725 103 GLU CG C 36.478 0.30 1 1057 725 103 GLU N N 127.080 0.30 1 stop_ save_