data_18530 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignment of the pair of complement control protein modules of human C7 ; _BMRB_accession_number 18530 _BMRB_flat_file_name bmr18530.str _Entry_type original _Submission_date 2012-06-18 _Accession_date 2012-06-18 _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 Bramham Janice . . 2 Clark Carla A. . 3 Barlow Paul N. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 752 "13C chemical shifts" 569 "15N chemical shifts" 132 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-19 update BMRB 'update entry citation' 2012-11-02 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C and 15N resonance assignments of the complement control protein modules of the complement component C7.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23054935 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Clark Carla . . 2 Thai Chuong-Thu . . 3 Phelan Marie M. . 4 Bella Juraj . . 5 Uhrin Duan . . 6 Ogata Ronald T. . 7 Barlow Paul N. . 8 Bramham Janice . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 7 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 285 _Page_last 288 _Year 2013 _Details . loop_ _Keyword C7 'complement control protein' NMR structure stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name C7CCPs _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label C7_CCPs $C7_CCPs stop_ _System_molecular_weight 13990.1061 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_C7_CCPs _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common C7_CCPs _Molecular_mass 13990.1061 _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'extracellular component of membrane attack complex of complement' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 129 _Mol_residue_sequence ; GSHMTEFCPSPPALKDGFVQ DEGTMFPVGKNVVYTCNEGY SLIGNPVARCGEDLRWLVGE MHCQKIACVLPVLMDGIQSH PQKPFYTVGEKVTVSCSGGM SLEGPSAFLCGSSLKWSPEM KNARCVQKE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 564 GLY 2 565 SER 3 566 HIS 4 567 MET 5 568 THR 6 569 GLU 7 570 PHE 8 571 CYS 9 572 PRO 10 573 SER 11 574 PRO 12 575 PRO 13 576 ALA 14 577 LEU 15 578 LYS 16 579 ASP 17 580 GLY 18 581 PHE 19 582 VAL 20 583 GLN 21 584 ASP 22 585 GLU 23 586 GLY 24 587 THR 25 588 MET 26 589 PHE 27 590 PRO 28 591 VAL 29 592 GLY 30 593 LYS 31 594 ASN 32 595 VAL 33 596 VAL 34 597 TYR 35 598 THR 36 599 CYS 37 600 ASN 38 601 GLU 39 602 GLY 40 603 TYR 41 604 SER 42 605 LEU 43 606 ILE 44 607 GLY 45 608 ASN 46 609 PRO 47 610 VAL 48 611 ALA 49 612 ARG 50 613 CYS 51 614 GLY 52 615 GLU 53 616 ASP 54 617 LEU 55 618 ARG 56 619 TRP 57 620 LEU 58 621 VAL 59 622 GLY 60 623 GLU 61 624 MET 62 625 HIS 63 626 CYS 64 627 GLN 65 628 LYS 66 629 ILE 67 630 ALA 68 631 CYS 69 632 VAL 70 633 LEU 71 634 PRO 72 635 VAL 73 636 LEU 74 637 MET 75 638 ASP 76 639 GLY 77 640 ILE 78 641 GLN 79 642 SER 80 643 HIS 81 644 PRO 82 645 GLN 83 646 LYS 84 647 PRO 85 648 PHE 86 649 TYR 87 650 THR 88 651 VAL 89 652 GLY 90 653 GLU 91 654 LYS 92 655 VAL 93 656 THR 94 657 VAL 95 658 SER 96 659 CYS 97 660 SER 98 661 GLY 99 662 GLY 100 663 MET 101 664 SER 102 665 LEU 103 666 GLU 104 667 GLY 105 668 PRO 106 669 SER 107 670 ALA 108 671 PHE 109 672 LEU 110 673 CYS 111 674 GLY 112 675 SER 113 676 SER 114 677 LEU 115 678 LYS 116 679 TRP 117 680 SER 118 681 PRO 119 682 GLU 120 683 MET 121 684 LYS 122 685 ASN 123 686 ALA 124 687 ARG 125 688 CYS 126 689 VAL 127 690 GLN 128 691 LYS 129 692 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value DBJ BAF83038 "unnamed protein product [Homo sapiens]" 96.90 843 100.00 100.00 2.02e-79 DBJ BAG35608 "unnamed protein product [Homo sapiens]" 96.90 843 100.00 100.00 1.28e-79 DBJ BAJ20698 "complement component 7 [synthetic construct]" 96.90 843 100.00 100.00 1.45e-79 EMBL CAA60121 "complement C7 [Homo sapiens]" 96.90 820 100.00 100.00 1.27e-79 EMBL CAH91280 "hypothetical protein [Pongo abelii]" 96.90 843 98.40 99.20 3.28e-78 GB AAA51861 "complement protein C7 precursor [Homo sapiens]" 96.90 843 99.20 99.20 1.47e-78 GB AAH63851 "Complement component 7 [Homo sapiens]" 96.90 843 100.00 100.00 1.45e-79 GB ADR82762 "complement component 7 [synthetic construct]" 96.90 843 100.00 100.00 1.45e-79 GB AIC48386 "C7, partial [synthetic construct]" 96.90 843 100.00 100.00 1.45e-79 GB AKI71774 "C7, partial [synthetic construct]" 96.90 843 100.00 100.00 1.46e-79 REF NP_000578 "complement component C7 precursor [Homo sapiens]" 96.90 843 100.00 100.00 1.45e-79 REF NP_001125756 "complement component C7 precursor [Pongo abelii]" 96.90 843 98.40 99.20 3.28e-78 REF XP_001138984 "PREDICTED: complement component C7 [Pan troglodytes]" 96.90 843 100.00 100.00 1.35e-79 REF XP_003274433 "PREDICTED: complement component C7 [Nomascus leucogenys]" 96.90 842 97.60 99.20 6.20e-78 REF XP_003811023 "PREDICTED: complement component C7 isoform X1 [Pan paniscus]" 96.90 843 100.00 100.00 1.35e-79 SP P10643 "RecName: Full=Complement component C7; Flags: Precursor" 96.90 843 100.00 100.00 1.45e-79 SP Q5RAD0 "RecName: Full=Complement component C7; Flags: Precursor" 96.90 843 98.40 99.20 3.28e-78 stop_ 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 $C7_CCPs Humans 9606 Eukaryota Metazoa Homo sapiens C7 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $C7_CCPs 'recombinant technology' . Escherichia coli OrigamiB pLysS pET15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'potassium phosphate' 20 mM 'natural abundance' EDTA 1 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' $C7_CCPs 300 uM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'potassium phosphate' 20 mM 'natural abundance' EDTA 1 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' $C7_CCPs 300 uM [U-15N] H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'potassium phosphate' 20 mM 'natural abundance' EDTA 1 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' $C7_CCPs 300 uM '[U-13C; U-15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name ANALYSIS _Version 2.2.2 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer spectrometer_1 _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer spectrometer_2 _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_3 save_ save_2D_hbCBcgcdHD_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D hbCBcgcdHD' _Sample_label $sample_3 save_ save_2D_hbCBcgcdceHE_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D hbCBcgcdceHE' _Sample_label $sample_3 save_ save_3D_CBCANH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_HBHANH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_H(CCO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_C(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 water H 1 protons ppm 4.772 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-13C HSQC aromatic' '2D hbCBcgcdHD' '2D hbCBcgcdceHE' '3D CBCANH' '3D CBCA(CO)NH' '3D HBHANH' '3D HBHA(CO)NH' '3D HNCO' '3D H(CCO)NH' '3D C(CO)NH' '3D 1H-13C NOESY' '3D HCCH-TOCSY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name C7_CCPs _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 1 564 1 GLY HA2 H 3.847 0.01 1 2 564 1 GLY HA3 H 3.847 0.01 1 3 564 1 GLY CA C 43.330 0.1 1 4 565 2 SER H H 8.643 0.01 1 5 565 2 SER HA H 4.446 0.01 1 6 565 2 SER HB2 H 3.794 0.01 2 7 565 2 SER HB3 H 3.794 0.01 2 8 565 2 SER C C 176.892 0.1 1 9 565 2 SER CA C 58.206 0.1 1 10 565 2 SER CB C 63.908 0.1 1 11 565 2 SER N N 115.543 0.1 1 12 566 3 HIS H H 8.668 0.01 1 13 566 3 HIS HA H 4.679 0.01 1 14 566 3 HIS HB2 H 3.216 0.01 2 15 566 3 HIS HB3 H 3.111 0.01 2 16 566 3 HIS HD2 H 7.172 0.01 1 17 566 3 HIS C C 176.637 0.1 1 18 566 3 HIS CA C 55.765 0.1 1 19 566 3 HIS CB C 29.688 0.1 1 20 566 3 HIS CD2 C 120.107 0.1 1 21 566 3 HIS N N 120.676 0.1 1 22 567 4 MET H H 8.423 0.01 1 23 567 4 MET HA H 4.470 0.01 1 24 567 4 MET HB2 H 1.973 0.01 2 25 567 4 MET HB3 H 2.068 0.01 2 26 567 4 MET HG2 H 2.463 0.01 2 27 567 4 MET HG3 H 2.535 0.01 2 28 567 4 MET HE H 2.053 0.01 1 29 567 4 MET C C 175.135 0.1 1 30 567 4 MET CA C 55.795 0.1 1 31 567 4 MET CB C 32.870 0.1 1 32 567 4 MET CG C 31.955 0.1 1 33 567 4 MET CE C 16.945 0.1 1 34 567 4 MET N N 121.542 0.1 1 35 568 5 THR H H 8.130 0.01 1 36 568 5 THR HA H 4.278 0.01 1 37 568 5 THR HB H 4.145 0.01 1 38 568 5 THR HG2 H 1.048 0.01 1 39 568 5 THR C C 177.489 0.1 1 40 568 5 THR CA C 62.009 0.1 1 41 568 5 THR CB C 69.384 0.1 1 42 568 5 THR CG2 C 21.884 0.1 1 43 568 5 THR N N 114.584 0.1 1 44 569 6 GLU H H 7.880 0.01 1 45 569 6 GLU HA H 4.358 0.01 1 46 569 6 GLU HB2 H 1.745 0.01 2 47 569 6 GLU HB3 H 1.943 0.01 2 48 569 6 GLU HG2 H 2.127 0.01 2 49 569 6 GLU HG3 H 2.055 0.01 2 50 569 6 GLU C C 177.141 0.1 1 51 569 6 GLU CA C 55.664 0.1 1 52 569 6 GLU CB C 31.251 0.1 1 53 569 6 GLU CG C 36.542 0.1 1 54 569 6 GLU N N 122.950 0.1 1 55 570 7 PHE H H 7.911 0.01 1 56 570 7 PHE HA H 5.087 0.01 1 57 570 7 PHE HB2 H 2.651 0.01 2 58 570 7 PHE HB3 H 3.167 0.01 2 59 570 7 PHE HD1 H 6.929 0.01 3 60 570 7 PHE HD2 H 6.929 0.01 3 61 570 7 PHE HE1 H 7.201 0.01 3 62 570 7 PHE HE2 H 7.201 0.01 3 63 570 7 PHE HZ H 7.196 0.01 1 64 570 7 PHE C C 175.181 0.1 1 65 570 7 PHE CA C 56.259 0.1 1 66 570 7 PHE CB C 42.593 0.1 1 67 570 7 PHE CD1 C 131.949 0.1 3 68 570 7 PHE CD2 C 131.949 0.1 3 69 570 7 PHE CE1 C 131.187 0.1 3 70 570 7 PHE CE2 C 131.187 0.1 3 71 570 7 PHE CZ C 129.719 0.1 1 72 570 7 PHE N N 117.898 0.1 1 73 571 8 CYS H H 9.169 0.01 1 74 571 8 CYS HA H 4.576 0.01 1 75 571 8 CYS HB2 H 2.904 0.01 2 76 571 8 CYS HB3 H 2.389 0.01 2 77 571 8 CYS C C 178.405 0.1 1 78 571 8 CYS CA C 58.596 0.1 1 79 571 8 CYS CB C 42.778 0.1 1 80 571 8 CYS N N 118.552 0.1 1 81 572 9 PRO HA H 5.070 0.01 1 82 572 9 PRO HB2 H 2.421 0.01 2 83 572 9 PRO HB3 H 2.373 0.01 2 84 572 9 PRO HG2 H 1.998 0.01 2 85 572 9 PRO HG3 H 2.256 0.01 2 86 572 9 PRO HD2 H 3.414 0.01 2 87 572 9 PRO HD3 H 3.839 0.01 2 88 572 9 PRO C C 176.009 0.1 1 89 572 9 PRO CA C 62.227 0.1 1 90 572 9 PRO CB C 32.421 0.1 1 91 572 9 PRO CG C 27.264 0.1 1 92 572 9 PRO CD C 49.855 0.1 1 93 573 10 SER H H 8.390 0.01 1 94 573 10 SER HA H 4.354 0.01 1 95 573 10 SER HB2 H 3.776 0.01 2 96 573 10 SER HB3 H 3.912 0.01 2 97 573 10 SER CA C 58.719 0.1 1 98 573 10 SER CB C 62.131 0.1 1 99 573 10 SER N N 114.719 0.1 1 100 574 11 PRO HA H 3.058 0.01 1 101 574 11 PRO HB2 H 1.350 0.01 2 102 574 11 PRO HB3 H 0.055 0.01 2 103 574 11 PRO HG2 H 0.658 0.01 2 104 574 11 PRO HG3 H 1.223 0.01 2 105 574 11 PRO HD2 H 3.328 0.01 2 106 574 11 PRO HD3 H 2.828 0.01 2 107 574 11 PRO CA C 61.098 0.1 1 108 574 11 PRO CB C 28.680 0.1 1 109 574 11 PRO CG C 26.805 0.1 1 110 574 11 PRO CD C 50.150 0.1 1 111 575 12 PRO HA H 4.224 0.01 1 112 575 12 PRO HB2 H 1.792 0.01 2 113 575 12 PRO HB3 H 2.221 0.01 2 114 575 12 PRO HG2 H 1.800 0.01 2 115 575 12 PRO HG3 H 1.919 0.01 2 116 575 12 PRO HD2 H 3.161 0.01 2 117 575 12 PRO HD3 H 2.840 0.01 2 118 575 12 PRO C C 174.335 0.1 1 119 575 12 PRO CA C 62.315 0.1 1 120 575 12 PRO CB C 32.197 0.1 1 121 575 12 PRO CG C 27.253 0.1 1 122 575 12 PRO CD C 49.836 0.1 1 123 576 13 ALA H H 8.349 0.01 1 124 576 13 ALA HA H 4.137 0.01 1 125 576 13 ALA HB H 1.316 0.01 1 126 576 13 ALA C C 174.749 0.1 1 127 576 13 ALA CA C 52.318 0.1 1 128 576 13 ALA CB C 19.269 0.1 1 129 576 13 ALA N N 123.692 0.1 1 130 577 14 LEU H H 8.857 0.01 1 131 577 14 LEU HA H 4.364 0.01 1 132 577 14 LEU HB2 H 1.055 0.01 2 133 577 14 LEU HB3 H 1.413 0.01 2 134 577 14 LEU HG H 1.165 0.01 1 135 577 14 LEU HD1 H 0.561 0.01 2 136 577 14 LEU HD2 H 0.561 0.01 2 137 577 14 LEU C C 175.704 0.1 1 138 577 14 LEU CA C 52.955 0.1 1 139 577 14 LEU CB C 45.728 0.1 1 140 577 14 LEU CG C 26.799 0.1 1 141 577 14 LEU CD1 C 23.018 0.1 2 142 577 14 LEU CD2 C 27.819 0.1 2 143 577 14 LEU N N 124.859 0.1 1 144 578 15 LYS H H 8.624 0.01 1 145 578 15 LYS HA H 3.899 0.01 1 146 578 15 LYS HB2 H 1.638 0.01 2 147 578 15 LYS HB3 H 1.676 0.01 2 148 578 15 LYS HG2 H 1.353 0.01 2 149 578 15 LYS HG3 H 1.392 0.01 2 150 578 15 LYS HD2 H 1.628 0.01 2 151 578 15 LYS HD3 H 1.690 0.01 2 152 578 15 LYS HE2 H 3.008 0.01 1 153 578 15 LYS HE3 H 3.008 0.01 1 154 578 15 LYS C C 174.289 0.1 1 155 578 15 LYS CA C 58.325 0.1 1 156 578 15 LYS CB C 31.522 0.1 1 157 578 15 LYS CG C 24.415 0.1 1 158 578 15 LYS CD C 29.111 0.1 1 159 578 15 LYS CE C 42.031 0.1 1 160 578 15 LYS N N 130.444 0.1 1 161 579 16 ASP H H 8.901 0.01 1 162 579 16 ASP HA H 3.849 0.01 1 163 579 16 ASP HB2 H 1.507 0.01 2 164 579 16 ASP HB3 H 2.229 0.01 2 165 579 16 ASP C C 178.090 0.1 1 166 579 16 ASP CA C 57.338 0.1 1 167 579 16 ASP CB C 38.914 0.1 1 168 579 16 ASP N N 119.748 0.1 1 169 580 17 GLY H H 8.026 0.01 1 170 580 17 GLY HA2 H 4.046 0.01 2 171 580 17 GLY HA3 H 4.446 0.01 2 172 580 17 GLY C C 178.606 0.1 1 173 580 17 GLY CA C 46.583 0.1 1 174 580 17 GLY N N 104.305 0.1 1 175 581 18 PHE H H 8.554 0.01 1 176 581 18 PHE HA H 4.935 0.01 1 177 581 18 PHE HB2 H 2.909 0.01 2 178 581 18 PHE HB3 H 3.418 0.01 2 179 581 18 PHE HD1 H 6.886 0.01 3 180 581 18 PHE HD2 H 6.886 0.01 3 181 581 18 PHE HE1 H 7.117 0.01 3 182 581 18 PHE HE2 H 7.117 0.01 3 183 581 18 PHE HZ H 7.129 0.01 1 184 581 18 PHE C C 179.109 0.1 1 185 581 18 PHE CA C 56.557 0.1 1 186 581 18 PHE CB C 39.079 0.1 1 187 581 18 PHE CD1 C 132.821 0.1 3 188 581 18 PHE CD2 C 132.821 0.1 3 189 581 18 PHE CE1 C 130.836 0.1 3 190 581 18 PHE CE2 C 130.836 0.1 3 191 581 18 PHE CZ C 130.130 0.1 1 192 581 18 PHE N N 114.879 0.1 1 193 582 19 VAL H H 8.197 0.01 1 194 582 19 VAL HA H 3.584 0.01 1 195 582 19 VAL HB H 1.419 0.01 1 196 582 19 VAL HG1 H 0.006 0.01 2 197 582 19 VAL HG2 H 0.508 0.01 2 198 582 19 VAL C C 175.579 0.1 1 199 582 19 VAL CA C 60.937 0.1 1 200 582 19 VAL CB C 32.419 0.1 1 201 582 19 VAL CG1 C 21.911 0.1 2 202 582 19 VAL CG2 C 20.650 0.1 2 203 582 19 VAL N N 119.028 0.1 1 204 583 20 GLN H H 8.693 0.01 1 205 583 20 GLN HA H 4.246 0.01 1 206 583 20 GLN HB2 H 1.934 0.01 2 207 583 20 GLN HB3 H 2.049 0.01 2 208 583 20 GLN HG2 H 2.149 0.01 1 209 583 20 GLN HG3 H 2.149 0.01 1 210 583 20 GLN HE21 H 6.854 0.01 1 211 583 20 GLN HE22 H 7.031 0.01 1 212 583 20 GLN C C 175.287 0.1 1 213 583 20 GLN CA C 57.049 0.1 1 214 583 20 GLN CB C 29.274 0.1 1 215 583 20 GLN CG C 35.045 0.1 1 216 583 20 GLN CD C 178.020 0.1 1 217 583 20 GLN N N 127.071 0.1 1 218 583 20 GLN NE2 N 110.662 0.1 1 219 584 21 ASP H H 8.006 0.01 1 220 584 21 ASP HA H 4.470 0.01 1 221 584 21 ASP HB2 H 2.426 0.01 2 222 584 21 ASP HB3 H 2.656 0.01 2 223 584 21 ASP C C 176.028 0.1 1 224 584 21 ASP CA C 54.652 0.1 1 225 584 21 ASP CB C 42.385 0.1 1 226 584 21 ASP N N 120.794 0.1 1 227 585 22 GLU H H 8.516 0.01 1 228 585 22 GLU HA H 4.271 0.01 1 229 585 22 GLU HB2 H 2.103 0.01 2 230 585 22 GLU HB3 H 1.952 0.01 2 231 585 22 GLU HG2 H 2.267 0.01 2 232 585 22 GLU HG3 H 2.338 0.01 2 233 585 22 GLU C C 174.347 0.1 1 234 585 22 GLU CA C 56.896 0.1 1 235 585 22 GLU CB C 30.618 0.1 1 236 585 22 GLU CG C 36.205 0.1 1 237 585 22 GLU N N 122.358 0.1 1 238 586 23 GLY H H 8.669 0.01 1 239 586 23 GLY HA2 H 3.928 0.01 2 240 586 23 GLY HA3 H 4.010 0.01 2 241 586 23 GLY C C 177.760 0.1 1 242 586 23 GLY CA C 44.872 0.1 1 243 586 23 GLY N N 109.838 0.1 1 244 587 24 THR H H 8.083 0.01 1 245 587 24 THR HA H 4.439 0.01 1 246 587 24 THR HB H 4.269 0.01 1 247 587 24 THR HG2 H 1.107 0.01 1 248 587 24 THR C C 177.526 0.1 1 249 587 24 THR CA C 61.249 0.1 1 250 587 24 THR CB C 69.980 0.1 1 251 587 24 THR CG2 C 21.587 0.1 1 252 587 24 THR N N 107.664 0.1 1 253 588 25 MET H H 7.153 0.01 1 254 588 25 MET HA H 4.599 0.01 1 255 588 25 MET HB2 H 1.518 0.01 2 256 588 25 MET HB3 H 1.578 0.01 2 257 588 25 MET HG2 H 2.095 0.01 2 258 588 25 MET HG3 H 2.156 0.01 2 259 588 25 MET HE H 1.664 0.01 1 260 588 25 MET C C 176.412 0.1 1 261 588 25 MET CA C 54.303 0.1 1 262 588 25 MET CB C 34.922 0.1 1 263 588 25 MET CG C 31.463 0.1 1 264 588 25 MET CE C 16.515 0.1 1 265 588 25 MET N N 119.705 0.1 1 266 589 26 PHE H H 8.826 0.01 1 267 589 26 PHE HA H 5.086 0.01 1 268 589 26 PHE HB2 H 3.024 0.01 2 269 589 26 PHE HB3 H 3.134 0.01 2 270 589 26 PHE HD1 H 7.268 0.01 3 271 589 26 PHE HD2 H 7.268 0.01 3 272 589 26 PHE HE1 H 7.166 0.01 3 273 589 26 PHE HE2 H 7.166 0.01 3 274 589 26 PHE C C 173.253 0.1 1 275 589 26 PHE CA C 54.945 0.1 1 276 589 26 PHE CB C 41.233 0.1 1 277 589 26 PHE CD1 C 132.157 0.1 3 278 589 26 PHE CD2 C 132.157 0.1 3 279 589 26 PHE CE1 C 131.205 0.1 3 280 589 26 PHE CE2 C 131.205 0.1 3 281 589 26 PHE N N 121.715 0.1 1 282 590 27 PRO HA H 4.650 0.01 1 283 590 27 PRO HB2 H 1.921 0.01 2 284 590 27 PRO HB3 H 2.155 0.01 2 285 590 27 PRO HG2 H 2.071 0.01 2 286 590 27 PRO HG3 H 1.988 0.01 2 287 590 27 PRO HD2 H 3.720 0.01 1 288 590 27 PRO HD3 H 3.720 0.01 1 289 590 27 PRO C C 175.326 0.1 1 290 590 27 PRO CA C 62.096 0.1 1 291 590 27 PRO CB C 32.819 0.1 1 292 590 27 PRO CG C 27.230 0.1 1 293 590 27 PRO CD C 50.783 0.1 1 294 591 28 VAL H H 7.698 0.01 1 295 591 28 VAL HA H 3.277 0.01 1 296 591 28 VAL HB H 1.670 0.01 1 297 591 28 VAL HG1 H 0.707 0.01 2 298 591 28 VAL HG2 H 0.847 0.01 2 299 591 28 VAL C C 173.356 0.1 1 300 591 28 VAL CA C 65.273 0.1 1 301 591 28 VAL CB C 31.736 0.1 1 302 591 28 VAL CG1 C 21.218 0.1 2 303 591 28 VAL CG2 C 22.378 0.1 2 304 591 28 VAL N N 119.146 0.1 1 305 592 29 GLY H H 8.918 0.01 1 306 592 29 GLY HA2 H 3.440 0.01 2 307 592 29 GLY HA3 H 4.326 0.01 2 308 592 29 GLY C C 177.086 0.1 1 309 592 29 GLY CA C 44.341 0.1 1 310 592 29 GLY N N 116.301 0.1 1 311 593 30 LYS H H 8.030 0.01 1 312 593 30 LYS HA H 4.301 0.01 1 313 593 30 LYS HB2 H 1.970 0.01 2 314 593 30 LYS HB3 H 2.076 0.01 2 315 593 30 LYS HG2 H 1.582 0.01 2 316 593 30 LYS HG3 H 1.760 0.01 2 317 593 30 LYS HD2 H 1.854 0.01 2 318 593 30 LYS HD3 H 2.082 0.01 2 319 593 30 LYS HE2 H 3.136 0.01 1 320 593 30 LYS HE3 H 3.136 0.01 1 321 593 30 LYS C C 175.938 0.1 1 322 593 30 LYS CA C 56.151 0.1 1 323 593 30 LYS CB C 33.590 0.1 1 324 593 30 LYS CG C 25.468 0.1 1 325 593 30 LYS CD C 29.163 0.1 1 326 593 30 LYS CE C 42.338 0.1 1 327 593 30 LYS N N 122.085 0.1 1 328 594 31 ASN H H 8.682 0.01 1 329 594 31 ASN HA H 6.034 0.01 1 330 594 31 ASN HB2 H 2.498 0.01 2 331 594 31 ASN HB3 H 2.751 0.01 2 332 594 31 ASN HD21 H 6.734 0.01 1 333 594 31 ASN HD22 H 7.192 0.01 1 334 594 31 ASN C C 175.419 0.1 1 335 594 31 ASN CA C 51.813 0.1 1 336 594 31 ASN CB C 40.786 0.1 1 337 594 31 ASN CG C 175.106 0.1 1 338 594 31 ASN N N 124.131 0.1 1 339 594 31 ASN ND2 N 110.527 0.1 1 340 595 32 VAL H H 9.247 0.01 1 341 595 32 VAL HA H 4.694 0.01 1 342 595 32 VAL HB H 1.769 0.01 1 343 595 32 VAL HG1 H 0.289 0.01 2 344 595 32 VAL HG2 H 0.590 0.01 2 345 595 32 VAL C C 177.770 0.1 1 346 595 32 VAL CA C 59.146 0.1 1 347 595 32 VAL CB C 34.443 0.1 1 348 595 32 VAL CG1 C 19.108 0.1 2 349 595 32 VAL CG2 C 22.230 0.1 2 350 595 32 VAL N N 115.674 0.1 1 351 596 33 VAL H H 8.337 0.01 1 352 596 33 VAL HA H 4.771 0.01 1 353 596 33 VAL HB H 1.815 0.01 1 354 596 33 VAL HG1 H 0.866 0.01 2 355 596 33 VAL HG2 H 0.866 0.01 2 356 596 33 VAL C C 175.681 0.1 1 357 596 33 VAL CA C 61.026 0.1 1 358 596 33 VAL CB C 34.434 0.1 1 359 596 33 VAL CG1 C 21.524 0.1 2 360 596 33 VAL CG2 C 21.524 0.1 2 361 596 33 VAL N N 120.335 0.1 1 362 597 34 TYR H H 9.063 0.01 1 363 597 34 TYR HA H 4.584 0.01 1 364 597 34 TYR HB2 H 2.388 0.01 2 365 597 34 TYR HB3 H 2.664 0.01 2 366 597 34 TYR HD1 H 6.740 0.01 3 367 597 34 TYR HD2 H 6.740 0.01 3 368 597 34 TYR HE1 H 6.243 0.01 3 369 597 34 TYR HE2 H 6.243 0.01 3 370 597 34 TYR C C 176.525 0.1 1 371 597 34 TYR CA C 58.320 0.1 1 372 597 34 TYR CB C 41.219 0.1 1 373 597 34 TYR CD1 C 133.200 0.1 3 374 597 34 TYR CD2 C 133.200 0.1 3 375 597 34 TYR CE1 C 116.868 0.1 3 376 597 34 TYR CE2 C 116.868 0.1 3 377 597 34 TYR N N 126.909 0.1 1 378 598 35 THR H H 8.338 0.01 1 379 598 35 THR HA H 4.183 0.01 1 380 598 35 THR HB H 3.469 0.01 1 381 598 35 THR HG2 H 0.375 0.01 1 382 598 35 THR C C 179.295 0.1 1 383 598 35 THR CA C 59.638 0.1 1 384 598 35 THR CB C 70.308 0.1 1 385 598 35 THR CG2 C 19.450 0.1 1 386 598 35 THR N N 112.227 0.1 1 387 599 36 CYS H H 7.837 0.01 1 388 599 36 CYS HA H 5.181 0.01 1 389 599 36 CYS HB2 H 2.456 0.01 2 390 599 36 CYS HB3 H 2.986 0.01 2 391 599 36 CYS C C 177.438 0.1 1 392 599 36 CYS CA C 54.549 0.1 1 393 599 36 CYS CB C 44.050 0.1 1 394 599 36 CYS N N 116.289 0.1 1 395 600 37 ASN H H 9.107 0.01 1 396 600 37 ASN HA H 4.716 0.01 1 397 600 37 ASN HB2 H 2.410 0.01 2 398 600 37 ASN HB3 H 3.013 0.01 2 399 600 37 ASN HD21 H 6.735 0.01 1 400 600 37 ASN HD22 H 7.594 0.01 1 401 600 37 ASN C C 177.034 0.1 1 402 600 37 ASN CA C 52.947 0.1 1 403 600 37 ASN CB C 38.644 0.1 1 404 600 37 ASN N N 121.481 0.1 1 405 600 37 ASN ND2 N 108.625 0.1 1 406 601 38 GLU H H 8.544 0.01 1 407 601 38 GLU HA H 4.128 0.01 1 408 601 38 GLU HB2 H 2.037 0.01 1 409 601 38 GLU HB3 H 2.037 0.01 1 410 601 38 GLU HG2 H 2.417 0.01 2 411 601 38 GLU HG3 H 2.360 0.01 2 412 601 38 GLU C C 174.148 0.1 1 413 601 38 GLU CA C 58.277 0.1 1 414 601 38 GLU CB C 29.658 0.1 1 415 601 38 GLU CG C 36.515 0.1 1 416 601 38 GLU N N 118.663 0.1 1 417 602 39 GLY H H 8.609 0.01 1 418 602 39 GLY HA2 H 2.826 0.01 2 419 602 39 GLY HA3 H 3.898 0.01 2 420 602 39 GLY C C 178.651 0.1 1 421 602 39 GLY CA C 44.531 0.1 1 422 602 39 GLY N N 110.663 0.1 1 423 603 40 TYR H H 8.136 0.01 1 424 603 40 TYR HA H 5.140 0.01 1 425 603 40 TYR HB2 H 2.315 0.01 2 426 603 40 TYR HB3 H 3.389 0.01 2 427 603 40 TYR HD1 H 6.655 0.01 3 428 603 40 TYR HD2 H 6.655 0.01 3 429 603 40 TYR HE1 H 6.718 0.01 3 430 603 40 TYR HE2 H 6.718 0.01 3 431 603 40 TYR C C 176.330 0.1 1 432 603 40 TYR CA C 56.503 0.1 1 433 603 40 TYR CB C 42.056 0.1 1 434 603 40 TYR CD1 C 132.808 0.1 3 435 603 40 TYR CD2 C 132.808 0.1 3 436 603 40 TYR CE1 C 117.990 0.1 3 437 603 40 TYR CE2 C 117.990 0.1 3 438 603 40 TYR N N 118.279 0.1 1 439 604 41 SER H H 9.163 0.01 1 440 604 41 SER HA H 4.621 0.01 1 441 604 41 SER HB2 H 3.514 0.01 2 442 604 41 SER HB3 H 3.558 0.01 2 443 604 41 SER C C 178.371 0.1 1 444 604 41 SER CA C 56.517 0.1 1 445 604 41 SER CB C 65.815 0.1 1 446 604 41 SER N N 115.685 0.1 1 447 605 42 LEU H H 8.520 0.01 1 448 605 42 LEU HA H 4.437 0.01 1 449 605 42 LEU HB2 H 1.525 0.01 2 450 605 42 LEU HB3 H 1.726 0.01 2 451 605 42 LEU HG H 1.248 0.01 1 452 605 42 LEU HD1 H 0.487 0.01 2 453 605 42 LEU HD2 H 0.541 0.01 2 454 605 42 LEU C C 175.165 0.1 1 455 605 42 LEU CA C 56.792 0.1 1 456 605 42 LEU CB C 41.736 0.1 1 457 605 42 LEU CG C 28.684 0.1 1 458 605 42 LEU CD1 C 25.175 0.1 2 459 605 42 LEU CD2 C 25.350 0.1 2 460 605 42 LEU N N 129.408 0.1 1 461 606 43 ILE H H 9.120 0.01 1 462 606 43 ILE HA H 4.217 0.01 1 463 606 43 ILE HB H 1.389 0.01 1 464 606 43 ILE HG12 H 1.261 0.01 2 465 606 43 ILE HG13 H 1.338 0.01 2 466 606 43 ILE HG2 H 0.827 0.01 1 467 606 43 ILE HD1 H 0.635 0.01 1 468 606 43 ILE C C 176.234 0.1 1 469 606 43 ILE CA C 59.236 0.1 1 470 606 43 ILE CB C 37.313 0.1 1 471 606 43 ILE CG1 C 26.965 0.1 1 472 606 43 ILE CG2 C 17.116 0.1 1 473 606 43 ILE CD1 C 10.364 0.1 1 474 606 43 ILE N N 131.108 0.1 1 475 607 44 GLY H H 8.475 0.01 1 476 607 44 GLY HA2 H 3.542 0.01 2 477 607 44 GLY HA3 H 4.739 0.01 2 478 607 44 GLY C C 178.884 0.1 1 479 607 44 GLY CA C 43.177 0.1 1 480 607 44 GLY N N 115.207 0.1 1 481 608 45 ASN H H 8.273 0.01 1 482 608 45 ASN HA H 4.969 0.01 1 483 608 45 ASN HB2 H 2.758 0.01 2 484 608 45 ASN HB3 H 2.974 0.01 2 485 608 45 ASN HD21 H 6.815 0.01 1 486 608 45 ASN HD22 H 7.568 0.01 1 487 608 45 ASN C C 177.027 0.1 1 488 608 45 ASN CA C 49.299 0.1 1 489 608 45 ASN CB C 39.422 0.1 1 490 608 45 ASN CG C 173.611 0.1 1 491 608 45 ASN N N 121.125 0.1 1 492 608 45 ASN ND2 N 110.547 0.1 1 493 609 46 PRO HA H 4.562 0.01 1 494 609 46 PRO HB2 H 2.070 0.01 2 495 609 46 PRO HB3 H 2.534 0.01 2 496 609 46 PRO HG2 H 1.877 0.01 2 497 609 46 PRO HG3 H 2.074 0.01 2 498 609 46 PRO HD2 H 3.937 0.01 2 499 609 46 PRO HD3 H 3.937 0.01 2 500 609 46 PRO C C 175.788 0.1 1 501 609 46 PRO CA C 63.530 0.1 1 502 609 46 PRO CB C 33.232 0.1 1 503 609 46 PRO CG C 26.256 0.1 1 504 609 46 PRO CD C 50.265 0.1 1 505 610 47 VAL H H 7.424 0.01 1 506 610 47 VAL HA H 4.823 0.01 1 507 610 47 VAL HB H 2.002 0.01 1 508 610 47 VAL HG1 H 0.878 0.01 2 509 610 47 VAL HG2 H 0.979 0.01 2 510 610 47 VAL C C 175.113 0.1 1 511 610 47 VAL CA C 62.519 0.1 1 512 610 47 VAL CB C 32.880 0.1 1 513 610 47 VAL CG1 C 21.657 0.1 2 514 610 47 VAL CG2 C 22.346 0.1 2 515 610 47 VAL N N 119.275 0.1 1 516 611 48 ALA H H 9.144 0.01 1 517 611 48 ALA HA H 5.340 0.01 1 518 611 48 ALA HB H 1.422 0.01 1 519 611 48 ALA C C 176.060 0.1 1 520 611 48 ALA CA C 50.077 0.1 1 521 611 48 ALA CB C 23.873 0.1 1 522 611 48 ALA N N 131.169 0.1 1 523 612 49 ARG H H 8.468 0.01 1 524 612 49 ARG HA H 5.597 0.01 1 525 612 49 ARG HB2 H 1.714 0.01 2 526 612 49 ARG HB3 H 1.760 0.01 2 527 612 49 ARG HG2 H 1.245 0.01 2 528 612 49 ARG HG3 H 1.327 0.01 2 529 612 49 ARG HD2 H 3.140 0.01 2 530 612 49 ARG HD3 H 3.139 0.01 2 531 612 49 ARG HE H 7.303 0.01 1 532 612 49 ARG C C 175.899 0.1 1 533 612 49 ARG CA C 54.407 0.1 1 534 612 49 ARG CB C 34.957 0.1 1 535 612 49 ARG CG C 27.840 0.1 1 536 612 49 ARG CD C 43.437 0.1 1 537 612 49 ARG N N 120.758 0.1 1 538 612 49 ARG NE N 84.979 0.1 1 539 613 50 CYS H H 8.519 0.01 1 540 613 50 CYS HA H 3.555 0.01 1 541 613 50 CYS HB2 H 1.450 0.01 2 542 613 50 CYS HB3 H 2.508 0.01 2 543 613 50 CYS C C 176.681 0.1 1 544 613 50 CYS CA C 55.076 0.1 1 545 613 50 CYS CB C 36.827 0.1 1 546 613 50 CYS N N 127.225 0.1 1 547 614 51 GLY H H 8.193 0.01 1 548 614 51 GLY HA2 H 3.953 0.01 2 549 614 51 GLY HA3 H 4.194 0.01 2 550 614 51 GLY C C 177.637 0.1 1 551 614 51 GLY CA C 44.648 0.1 1 552 614 51 GLY N N 119.684 0.1 1 553 615 52 GLU H H 8.804 0.01 1 554 615 52 GLU HA H 3.882 0.01 1 555 615 52 GLU HB2 H 1.963 0.01 2 556 615 52 GLU HB3 H 1.963 0.01 2 557 615 52 GLU HG2 H 2.237 0.01 2 558 615 52 GLU HG3 H 2.367 0.01 2 559 615 52 GLU C C 174.893 0.1 1 560 615 52 GLU CA C 59.387 0.1 1 561 615 52 GLU CB C 28.989 0.1 1 562 615 52 GLU CG C 37.039 0.1 1 563 615 52 GLU N N 117.241 0.1 1 564 616 53 ASP H H 8.222 0.01 1 565 616 53 ASP HA H 4.356 0.01 1 566 616 53 ASP HB2 H 2.525 0.01 2 567 616 53 ASP HB3 H 2.855 0.01 2 568 616 53 ASP C C 175.766 0.1 1 569 616 53 ASP CA C 52.753 0.1 1 570 616 53 ASP CB C 39.133 0.1 1 571 616 53 ASP N N 116.296 0.1 1 572 617 54 LEU H H 8.191 0.01 1 573 617 54 LEU HA H 3.860 0.01 1 574 617 54 LEU HB2 H 1.480 0.01 2 575 617 54 LEU HB3 H 2.018 0.01 2 576 617 54 LEU HG H 1.233 0.01 1 577 617 54 LEU HD1 H 0.513 0.01 2 578 617 54 LEU HD2 H 0.799 0.01 2 579 617 54 LEU C C 175.789 0.1 1 580 617 54 LEU CA C 56.248 0.1 1 581 617 54 LEU CB C 36.491 0.1 1 582 617 54 LEU CG C 26.944 0.1 1 583 617 54 LEU CD1 C 22.460 0.1 2 584 617 54 LEU CD2 C 25.038 0.1 2 585 617 54 LEU N N 114.112 0.1 1 586 618 55 ARG H H 7.086 0.01 1 587 618 55 ARG HA H 4.525 0.01 1 588 618 55 ARG HB2 H 1.700 0.01 1 589 618 55 ARG HB3 H 1.700 0.01 1 590 618 55 ARG HG2 H 1.455 0.01 2 591 618 55 ARG HG3 H 1.459 0.01 2 592 618 55 ARG HD2 H 3.134 0.01 2 593 618 55 ARG HD3 H 3.134 0.01 2 594 618 55 ARG HE H 7.178 0.01 1 595 618 55 ARG C C 174.230 0.1 1 596 618 55 ARG CA C 53.407 0.1 1 597 618 55 ARG CB C 32.563 0.1 1 598 618 55 ARG CG C 27.327 0.1 1 599 618 55 ARG CD C 43.387 0.1 1 600 618 55 ARG N N 115.175 0.1 1 601 618 55 ARG NE N 85.527 0.1 1 602 619 56 TRP H H 8.655 0.01 1 603 619 56 TRP HA H 4.635 0.01 1 604 619 56 TRP HB2 H 2.799 0.01 2 605 619 56 TRP HB3 H 2.938 0.01 2 606 619 56 TRP HD1 H 7.227 0.01 1 607 619 56 TRP HE1 H 10.080 0.01 1 608 619 56 TRP HE3 H 7.087 0.01 1 609 619 56 TRP HZ2 H 7.167 0.01 1 610 619 56 TRP HZ3 H 6.959 0.01 1 611 619 56 TRP HH2 H 6.528 0.01 1 612 619 56 TRP C C 174.895 0.1 1 613 619 56 TRP CA C 57.643 0.1 1 614 619 56 TRP CB C 29.429 0.1 1 615 619 56 TRP CD1 C 125.677 0.1 1 616 619 56 TRP CE2 C 135.322 0.1 1 617 619 56 TRP CE3 C 119.580 0.1 1 618 619 56 TRP CZ2 C 113.968 0.1 1 619 619 56 TRP CZ3 C 123.207 0.1 1 620 619 56 TRP CH2 C 123.197 0.1 1 621 619 56 TRP N N 123.212 0.1 1 622 619 56 TRP NE1 N 129.961 0.1 1 623 620 57 LEU H H 9.722 0.01 1 624 620 57 LEU HA H 4.705 0.01 1 625 620 57 LEU HB2 H 1.767 0.01 1 626 620 57 LEU HB3 H 1.767 0.01 1 627 620 57 LEU HG H 1.591 0.01 1 628 620 57 LEU HD1 H 0.917 0.01 2 629 620 57 LEU HD2 H 0.931 0.01 2 630 620 57 LEU C C 175.004 0.1 1 631 620 57 LEU CA C 54.491 0.1 1 632 620 57 LEU CB C 41.501 0.1 1 633 620 57 LEU CG C 27.214 0.1 1 634 620 57 LEU CD1 C 24.547 0.1 2 635 620 57 LEU CD2 C 24.651 0.1 2 636 620 57 LEU N N 128.225 0.1 1 637 621 58 VAL H H 8.543 0.01 1 638 621 58 VAL HA H 4.367 0.01 1 639 621 58 VAL HB H 2.030 0.01 1 640 621 58 VAL HG1 H 0.902 0.01 2 641 621 58 VAL HG2 H 0.902 0.01 2 642 621 58 VAL C C 175.895 0.1 1 643 621 58 VAL CA C 60.961 0.1 1 644 621 58 VAL CB C 34.578 0.1 1 645 621 58 VAL CG1 C 21.052 0.1 2 646 621 58 VAL CG2 C 21.054 0.1 2 647 621 58 VAL N N 125.782 0.1 1 648 622 59 GLY H H 8.917 0.01 1 649 622 59 GLY HA2 H 4.309 0.01 2 650 622 59 GLY HA3 H 3.673 0.01 2 651 622 59 GLY C C 178.686 0.1 1 652 622 59 GLY CA C 44.066 0.1 1 653 622 59 GLY N N 115.419 0.1 1 654 623 60 GLU H H 8.354 0.01 1 655 623 60 GLU HA H 4.150 0.01 1 656 623 60 GLU HB2 H 1.945 0.01 1 657 623 60 GLU HB3 H 1.945 0.01 1 658 623 60 GLU HG2 H 2.201 0.01 2 659 623 60 GLU HG3 H 2.265 0.01 2 660 623 60 GLU C C 175.663 0.1 1 661 623 60 GLU CA C 56.807 0.1 1 662 623 60 GLU CB C 29.208 0.1 1 663 623 60 GLU CG C 36.173 0.1 1 664 623 60 GLU N N 120.314 0.1 1 665 624 61 MET H H 7.878 0.01 1 666 624 61 MET HA H 5.188 0.01 1 667 624 61 MET HB2 H 1.380 0.01 2 668 624 61 MET HB3 H 1.825 0.01 2 669 624 61 MET HG2 H 1.945 0.01 2 670 624 61 MET HG3 H 2.024 0.01 2 671 624 61 MET HE H 1.401 0.01 1 672 624 61 MET C C 176.865 0.1 1 673 624 61 MET CA C 54.799 0.1 1 674 624 61 MET CB C 36.520 0.1 1 675 624 61 MET CG C 30.381 0.1 1 676 624 61 MET CE C 17.044 0.1 1 677 624 61 MET N N 123.352 0.1 1 678 625 62 HIS H H 8.429 0.01 1 679 625 62 HIS HA H 4.577 0.01 1 680 625 62 HIS HB2 H 2.996 0.01 2 681 625 62 HIS HB3 H 3.235 0.01 2 682 625 62 HIS HD2 H 6.942 0.01 1 683 625 62 HIS HE1 H 8.321 0.01 1 684 625 62 HIS C C 179.072 0.1 1 685 625 62 HIS CA C 55.467 0.1 1 686 625 62 HIS CB C 32.012 0.1 1 687 625 62 HIS CD2 C 120.144 0.1 1 688 625 62 HIS CE1 C 136.903 0.1 1 689 625 62 HIS N N 114.449 0.1 1 690 626 63 CYS H H 9.360 0.01 1 691 626 63 CYS HA H 5.184 0.01 1 692 626 63 CYS HB2 H 2.511 0.01 2 693 626 63 CYS HB3 H 2.860 0.01 2 694 626 63 CYS C C 177.418 0.1 1 695 626 63 CYS CA C 54.142 0.1 1 696 626 63 CYS CB C 40.864 0.1 1 697 626 63 CYS N N 121.498 0.1 1 698 627 64 GLN H H 9.439 0.01 1 699 627 64 GLN HA H 4.689 0.01 1 700 627 64 GLN HB2 H 1.957 0.01 2 701 627 64 GLN HB3 H 2.018 0.01 2 702 627 64 GLN HG2 H 2.264 0.01 2 703 627 64 GLN HG3 H 2.265 0.01 2 704 627 64 GLN HE21 H 6.862 0.01 1 705 627 64 GLN HE22 H 7.502 0.01 1 706 627 64 GLN C C 176.129 0.1 1 707 627 64 GLN CA C 53.898 0.1 1 708 627 64 GLN CB C 31.619 0.1 1 709 627 64 GLN CG C 33.037 0.1 1 710 627 64 GLN CD C 178.494 0.1 1 711 627 64 GLN N N 127.956 0.1 1 712 627 64 GLN NE2 N 112.237 0.1 1 713 628 65 LYS H H 9.118 0.01 1 714 628 65 LYS HA H 3.462 0.01 1 715 628 65 LYS HB2 H 1.421 0.01 2 716 628 65 LYS HB3 H 1.559 0.01 2 717 628 65 LYS HG2 H 1.094 0.01 2 718 628 65 LYS HG3 H 0.713 0.01 2 719 628 65 LYS HD2 H 1.401 0.01 2 720 628 65 LYS HD3 H 1.401 0.01 2 721 628 65 LYS HE2 H 2.889 0.01 2 722 628 65 LYS HE3 H 2.786 0.01 2 723 628 65 LYS C C 174.462 0.1 1 724 628 65 LYS CA C 58.133 0.1 1 725 628 65 LYS CB C 32.699 0.1 1 726 628 65 LYS CG C 25.338 0.1 1 727 628 65 LYS CD C 29.471 0.1 1 728 628 65 LYS CE C 41.856 0.1 1 729 628 65 LYS N N 131.520 0.1 1 730 629 66 ILE H H 8.338 0.01 1 731 629 66 ILE HA H 4.266 0.01 1 732 629 66 ILE HB H 1.923 0.01 1 733 629 66 ILE HG12 H 0.711 0.01 2 734 629 66 ILE HG13 H 0.890 0.01 2 735 629 66 ILE HG2 H 0.753 0.01 1 736 629 66 ILE HD1 H 0.543 0.01 1 737 629 66 ILE C C 177.306 0.1 1 738 629 66 ILE CA C 60.582 0.1 1 739 629 66 ILE CB C 39.450 0.1 1 740 629 66 ILE CG1 C 26.962 0.1 1 741 629 66 ILE CG2 C 18.885 0.1 1 742 629 66 ILE CD1 C 13.958 0.1 1 743 629 66 ILE N N 120.775 0.1 1 744 630 67 ALA H H 7.360 0.01 1 745 630 67 ALA HA H 4.660 0.01 1 746 630 67 ALA HB H 1.328 0.01 1 747 630 67 ALA C C 175.201 0.1 1 748 630 67 ALA CA C 51.196 0.1 1 749 630 67 ALA CB C 23.540 0.1 1 750 630 67 ALA N N 125.585 0.1 1 751 631 68 CYS H H 8.960 0.01 1 752 631 68 CYS HA H 4.450 0.01 1 753 631 68 CYS HB2 H 2.049 0.01 2 754 631 68 CYS HB3 H 2.344 0.01 2 755 631 68 CYS C C 176.630 0.1 1 756 631 68 CYS CA C 57.958 0.1 1 757 631 68 CYS CB C 44.895 0.1 1 758 631 68 CYS N N 114.579 0.1 1 759 632 69 VAL H H 8.226 0.01 1 760 632 69 VAL HA H 4.983 0.01 1 761 632 69 VAL HB H 2.285 0.01 1 762 632 69 VAL HG1 H 0.933 0.01 2 763 632 69 VAL HG2 H 1.162 0.01 2 764 632 69 VAL C C 173.886 0.1 1 765 632 69 VAL CA C 59.648 0.1 1 766 632 69 VAL CB C 35.456 0.1 1 767 632 69 VAL CG1 C 19.162 0.1 2 768 632 69 VAL CG2 C 21.717 0.1 2 769 632 69 VAL N N 114.744 0.1 1 770 633 70 LEU H H 9.536 0.01 1 771 633 70 LEU HA H 4.516 0.01 1 772 633 70 LEU HB2 H 1.446 0.01 2 773 633 70 LEU HB3 H 1.816 0.01 2 774 633 70 LEU HG H 1.978 0.01 1 775 633 70 LEU HD1 H 0.388 0.01 2 776 633 70 LEU HD2 H 0.949 0.01 2 777 633 70 LEU C C 175.862 0.1 1 778 633 70 LEU CA C 54.096 0.1 1 779 633 70 LEU CB C 40.998 0.1 1 780 633 70 LEU CG C 27.278 0.1 1 781 633 70 LEU CD1 C 22.824 0.1 2 782 633 70 LEU CD2 C 25.528 0.1 2 783 633 70 LEU N N 128.416 0.1 1 784 634 71 PRO HA H 4.737 0.01 1 785 634 71 PRO HB2 H 1.990 0.01 2 786 634 71 PRO HB3 H 2.223 0.01 2 787 634 71 PRO HG2 H 1.937 0.01 2 788 634 71 PRO HG3 H 1.478 0.01 2 789 634 71 PRO HD2 H 3.330 0.01 2 790 634 71 PRO HD3 H 3.651 0.01 2 791 634 71 PRO C C 176.560 0.1 1 792 634 71 PRO CA C 62.027 0.1 1 793 634 71 PRO CB C 32.186 0.1 1 794 634 71 PRO CG C 26.193 0.1 1 795 634 71 PRO CD C 50.083 0.1 1 796 635 72 VAL H H 7.959 0.01 1 797 635 72 VAL HA H 3.683 0.01 1 798 635 72 VAL HB H 1.859 0.01 1 799 635 72 VAL HG1 H 0.860 0.01 2 800 635 72 VAL HG2 H 0.987 0.01 2 801 635 72 VAL C C 175.210 0.1 1 802 635 72 VAL CA C 64.509 0.1 1 803 635 72 VAL CB C 31.193 0.1 1 804 635 72 VAL CG1 C 21.108 0.1 2 805 635 72 VAL CG2 C 21.530 0.1 2 806 635 72 VAL N N 118.518 0.1 1 807 636 73 LEU H H 8.096 0.01 1 808 636 73 LEU HA H 4.441 0.01 1 809 636 73 LEU HB2 H 1.255 0.01 2 810 636 73 LEU HB3 H 1.582 0.01 2 811 636 73 LEU HG H 1.611 0.01 1 812 636 73 LEU HD1 H 0.492 0.01 2 813 636 73 LEU HD2 H 0.644 0.01 2 814 636 73 LEU C C 174.182 0.1 1 815 636 73 LEU CA C 53.192 0.1 1 816 636 73 LEU CB C 43.563 0.1 1 817 636 73 LEU CG C 25.892 0.1 1 818 636 73 LEU CD1 C 25.171 0.1 2 819 636 73 LEU CD2 C 25.347 0.1 2 820 636 73 LEU N N 129.039 0.1 1 821 637 74 MET H H 8.448 0.01 1 822 637 74 MET HA H 4.318 0.01 1 823 637 74 MET HB2 H 2.154 0.01 2 824 637 74 MET HB3 H 2.153 0.01 2 825 637 74 MET HG2 H 2.661 0.01 2 826 637 74 MET HG3 H 2.720 0.01 2 827 637 74 MET HE H 2.134 0.01 1 828 637 74 MET C C 175.305 0.1 1 829 637 74 MET CA C 55.206 0.1 1 830 637 74 MET CB C 33.018 0.1 1 831 637 74 MET CG C 32.662 0.1 1 832 637 74 MET CE C 17.527 0.1 1 833 637 74 MET N N 120.060 0.1 1 834 638 75 ASP H H 8.311 0.01 1 835 638 75 ASP HA H 4.260 0.01 1 836 638 75 ASP HB2 H 2.558 0.01 2 837 638 75 ASP HB3 H 2.558 0.01 2 838 638 75 ASP C C 174.694 0.1 1 839 638 75 ASP CA C 56.237 0.1 1 840 638 75 ASP CB C 40.888 0.1 1 841 638 75 ASP N N 120.371 0.1 1 842 639 76 GLY H H 8.480 0.01 1 843 639 76 GLY HA2 H 3.528 0.01 2 844 639 76 GLY HA3 H 4.176 0.01 2 845 639 76 GLY C C 177.011 0.1 1 846 639 76 GLY CA C 45.388 0.1 1 847 639 76 GLY N N 111.405 0.1 1 848 640 77 ILE H H 7.349 0.01 1 849 640 77 ILE HA H 4.315 0.01 1 850 640 77 ILE HB H 1.992 0.01 1 851 640 77 ILE HG12 H 1.153 0.01 2 852 640 77 ILE HG13 H 1.362 0.01 2 853 640 77 ILE HG2 H 0.654 0.01 1 854 640 77 ILE HD1 H 0.452 0.01 1 855 640 77 ILE C C 174.900 0.1 1 856 640 77 ILE CA C 60.115 0.1 1 857 640 77 ILE CB C 35.812 0.1 1 858 640 77 ILE CG1 C 27.158 0.1 1 859 640 77 ILE CG2 C 17.918 0.1 1 860 640 77 ILE CD1 C 12.173 0.1 1 861 640 77 ILE N N 121.066 0.1 1 862 641 78 GLN H H 9.013 0.01 1 863 641 78 GLN HA H 4.470 0.01 1 864 641 78 GLN HB2 H 1.799 0.01 2 865 641 78 GLN HB3 H 1.847 0.01 2 866 641 78 GLN HG2 H 2.168 0.01 2 867 641 78 GLN HG3 H 2.191 0.01 2 868 641 78 GLN HE21 H 6.823 0.01 1 869 641 78 GLN HE22 H 7.233 0.01 1 870 641 78 GLN C C 176.799 0.1 1 871 641 78 GLN CA C 53.788 0.1 1 872 641 78 GLN CB C 30.778 0.1 1 873 641 78 GLN CG C 33.465 0.1 1 874 641 78 GLN CD C 177.712 0.1 1 875 641 78 GLN N N 127.268 0.1 1 876 641 78 GLN NE2 N 112.317 0.1 1 877 642 79 SER H H 8.172 0.01 1 878 642 79 SER HA H 4.797 0.01 1 879 642 79 SER HB2 H 3.296 0.01 2 880 642 79 SER HB3 H 3.410 0.01 2 881 642 79 SER C C 177.644 0.1 1 882 642 79 SER CA C 57.456 0.1 1 883 642 79 SER CB C 65.382 0.1 1 884 642 79 SER N N 117.110 0.1 1 885 643 80 HIS H H 8.811 0.01 1 886 643 80 HIS HA H 4.965 0.01 1 887 643 80 HIS HB2 H 2.931 0.01 2 888 643 80 HIS HB3 H 3.251 0.01 2 889 643 80 HIS HD2 H 6.862 0.01 1 890 643 80 HIS HE1 H 8.071 0.01 1 891 643 80 HIS C C 178.362 0.1 1 892 643 80 HIS CA C 52.800 0.1 1 893 643 80 HIS CB C 31.211 0.1 1 894 643 80 HIS CD2 C 121.091 0.1 1 895 643 80 HIS CE1 C 136.982 0.1 1 896 643 80 HIS N N 118.806 0.1 1 897 644 81 PRO HA H 4.819 0.01 1 898 644 81 PRO HB2 H 1.959 0.01 2 899 644 81 PRO HB3 H 2.399 0.01 2 900 644 81 PRO HG2 H 2.232 0.01 2 901 644 81 PRO HG3 H 2.055 0.01 2 902 644 81 PRO HD2 H 3.718 0.01 2 903 644 81 PRO HD3 H 4.189 0.01 2 904 644 81 PRO C C 175.840 0.1 1 905 644 81 PRO CA C 63.307 0.1 1 906 644 81 PRO CB C 34.502 0.1 1 907 644 81 PRO CG C 25.332 0.1 1 908 644 81 PRO CD C 50.300 0.1 1 909 645 82 GLN H H 8.986 0.01 1 910 645 82 GLN HA H 4.198 0.01 1 911 645 82 GLN HB2 H 1.993 0.01 1 912 645 82 GLN HB3 H 1.993 0.01 1 913 645 82 GLN HG2 H 2.143 0.01 2 914 645 82 GLN HG3 H 2.143 0.01 2 915 645 82 GLN HE21 H 6.756 0.01 1 916 645 82 GLN HE22 H 7.438 0.01 1 917 645 82 GLN C C 177.395 0.1 1 918 645 82 GLN CA C 56.198 0.1 1 919 645 82 GLN CB C 28.686 0.1 1 920 645 82 GLN CG C 33.734 0.1 1 921 645 82 GLN CD C 178.008 0.1 1 922 645 82 GLN N N 123.721 0.1 1 923 645 82 GLN NE2 N 112.283 0.1 1 924 646 83 LYS H H 8.062 0.01 1 925 646 83 LYS HA H 4.667 0.01 1 926 646 83 LYS HB2 H 0.644 0.01 2 927 646 83 LYS HB3 H 1.429 0.01 2 928 646 83 LYS HG2 H 0.768 0.01 2 929 646 83 LYS HG3 H 1.138 0.01 2 930 646 83 LYS HD2 H 1.428 0.01 2 931 646 83 LYS HD3 H 1.484 0.01 2 932 646 83 LYS HE2 H 2.638 0.01 2 933 646 83 LYS HE3 H 2.750 0.01 2 934 646 83 LYS C C 177.178 0.1 1 935 646 83 LYS CA C 53.752 0.1 1 936 646 83 LYS CB C 34.553 0.1 1 937 646 83 LYS CG C 24.555 0.1 1 938 646 83 LYS CD C 29.685 0.1 1 939 646 83 LYS CE C 41.405 0.1 1 940 646 83 LYS N N 126.403 0.1 1 941 647 84 PRO HA H 4.238 0.01 1 942 647 84 PRO HB2 H 1.780 0.01 2 943 647 84 PRO HB3 H 2.264 0.01 2 944 647 84 PRO HG2 H 1.987 0.01 2 945 647 84 PRO HG3 H 1.923 0.01 2 946 647 84 PRO HD2 H 3.587 0.01 2 947 647 84 PRO HD3 H 3.587 0.01 2 948 647 84 PRO C C 174.372 0.1 1 949 647 84 PRO CA C 64.357 0.1 1 950 647 84 PRO CB C 32.177 0.1 1 951 647 84 PRO CG C 27.276 0.1 1 952 647 84 PRO CD C 50.247 0.1 1 953 648 85 PHE H H 6.603 0.01 1 954 648 85 PHE HA H 5.088 0.01 1 955 648 85 PHE HB2 H 2.766 0.01 2 956 648 85 PHE HB3 H 3.026 0.01 2 957 648 85 PHE HD1 H 6.871 0.01 3 958 648 85 PHE HD2 H 6.871 0.01 3 959 648 85 PHE HE1 H 7.250 0.01 3 960 648 85 PHE HE2 H 7.250 0.01 3 961 648 85 PHE HZ H 7.272 0.01 1 962 648 85 PHE C C 178.508 0.1 1 963 648 85 PHE CA C 56.305 0.1 1 964 648 85 PHE CB C 40.657 0.1 1 965 648 85 PHE CD1 C 131.915 0.1 3 966 648 85 PHE CD2 C 131.915 0.1 3 967 648 85 PHE CE1 C 131.329 0.1 3 968 648 85 PHE CE2 C 131.329 0.1 3 969 648 85 PHE CZ C 130.276 0.1 1 970 648 85 PHE N N 110.023 0.1 1 971 649 86 TYR H H 9.098 0.01 1 972 649 86 TYR HA H 4.638 0.01 1 973 649 86 TYR HB2 H 2.552 0.01 2 974 649 86 TYR HB3 H 2.865 0.01 2 975 649 86 TYR HD1 H 7.061 0.01 3 976 649 86 TYR HD2 H 7.061 0.01 3 977 649 86 TYR C C 176.979 0.1 1 978 649 86 TYR CA C 56.616 0.1 1 979 649 86 TYR CB C 41.410 0.1 1 980 649 86 TYR CD1 C 132.820 0.1 3 981 649 86 TYR CD2 C 132.820 0.1 3 982 649 86 TYR N N 119.825 0.1 1 983 650 87 THR H H 9.190 0.01 1 984 650 87 THR HA H 4.507 0.01 1 985 650 87 THR HB H 4.361 0.01 1 986 650 87 THR HG2 H 1.346 0.01 1 987 650 87 THR C C 176.638 0.1 1 988 650 87 THR CA C 61.231 0.1 1 989 650 87 THR CB C 70.637 0.1 1 990 650 87 THR CG2 C 22.031 0.1 1 991 650 87 THR N N 115.785 0.1 1 992 651 88 VAL H H 8.111 0.01 1 993 651 88 VAL HA H 3.265 0.01 1 994 651 88 VAL HB H 1.797 0.01 1 995 651 88 VAL HG1 H 0.754 0.01 2 996 651 88 VAL HG2 H 0.893 0.01 2 997 651 88 VAL C C 173.050 0.1 1 998 651 88 VAL CA C 65.488 0.1 1 999 651 88 VAL CB C 31.231 0.1 1 1000 651 88 VAL CG1 C 20.756 0.1 2 1001 651 88 VAL CG2 C 22.482 0.1 2 1002 651 88 VAL N N 120.517 0.1 1 1003 652 89 GLY H H 9.217 0.01 1 1004 652 89 GLY HA2 H 3.556 0.01 2 1005 652 89 GLY HA3 H 4.441 0.01 2 1006 652 89 GLY C C 176.852 0.1 1 1007 652 89 GLY CA C 44.426 0.1 1 1008 652 89 GLY N N 116.819 0.1 1 1009 653 90 GLU H H 8.318 0.01 1 1010 653 90 GLU HA H 4.321 0.01 1 1011 653 90 GLU HB2 H 2.305 0.01 2 1012 653 90 GLU HB3 H 2.404 0.01 2 1013 653 90 GLU HG2 H 2.343 0.01 2 1014 653 90 GLU HG3 H 2.650 0.01 2 1015 653 90 GLU C C 176.590 0.1 1 1016 653 90 GLU CA C 58.481 0.1 1 1017 653 90 GLU CB C 31.928 0.1 1 1018 653 90 GLU CG C 38.456 0.1 1 1019 653 90 GLU N N 121.072 0.1 1 1020 654 91 LYS H H 8.235 0.01 1 1021 654 91 LYS HA H 5.716 0.01 1 1022 654 91 LYS HB2 H 1.715 0.01 2 1023 654 91 LYS HB3 H 1.821 0.01 2 1024 654 91 LYS HG2 H 1.342 0.01 2 1025 654 91 LYS HG3 H 1.489 0.01 2 1026 654 91 LYS HD2 H 1.647 0.01 2 1027 654 91 LYS HD3 H 1.647 0.01 2 1028 654 91 LYS HE2 H 2.893 0.01 2 1029 654 91 LYS HE3 H 2.893 0.01 2 1030 654 91 LYS C C 174.833 0.1 1 1031 654 91 LYS CA C 54.419 0.1 1 1032 654 91 LYS CB C 35.992 0.1 1 1033 654 91 LYS CG C 25.295 0.1 1 1034 654 91 LYS CD C 29.457 0.1 1 1035 654 91 LYS CE C 41.802 0.1 1 1036 654 91 LYS N N 120.639 0.1 1 1037 655 92 VAL H H 9.014 0.01 1 1038 655 92 VAL HA H 4.821 0.01 1 1039 655 92 VAL HB H 1.371 0.01 1 1040 655 92 VAL HG1 H 0.239 0.01 2 1041 655 92 VAL HG2 H 0.556 0.01 2 1042 655 92 VAL C C 176.870 0.1 1 1043 655 92 VAL CA C 60.066 0.1 1 1044 655 92 VAL CB C 36.007 0.1 1 1045 655 92 VAL CG1 C 21.692 0.1 2 1046 655 92 VAL CG2 C 23.498 0.1 2 1047 655 92 VAL N N 123.596 0.1 1 1048 656 93 THR H H 8.698 0.01 1 1049 656 93 THR HA H 5.692 0.01 1 1050 656 93 THR HB H 4.325 0.01 1 1051 656 93 THR HG2 H 1.257 0.01 1 1052 656 93 THR C C 176.649 0.1 1 1053 656 93 THR CA C 59.904 0.1 1 1054 656 93 THR CB C 71.446 0.1 1 1055 656 93 THR CG2 C 21.469 0.1 1 1056 656 93 THR N N 117.961 0.1 1 1057 657 94 VAL H H 8.527 0.01 1 1058 657 94 VAL HA H 5.766 0.01 1 1059 657 94 VAL HB H 2.105 0.01 1 1060 657 94 VAL HG1 H 0.577 0.01 2 1061 657 94 VAL HG2 H 0.894 0.01 2 1062 657 94 VAL C C 176.421 0.1 1 1063 657 94 VAL CA C 58.306 0.1 1 1064 657 94 VAL CB C 35.551 0.1 1 1065 657 94 VAL CG1 C 21.355 0.1 2 1066 657 94 VAL CG2 C 20.245 0.1 2 1067 657 94 VAL N N 113.761 0.1 1 1068 658 95 SER H H 8.775 0.01 1 1069 658 95 SER HA H 4.609 0.01 1 1070 658 95 SER HB2 H 3.827 0.01 2 1071 658 95 SER HB3 H 4.103 0.01 2 1072 658 95 SER C C 178.957 0.1 1 1073 658 95 SER CA C 56.967 0.1 1 1074 658 95 SER CB C 65.983 0.1 1 1075 658 95 SER N N 114.119 0.1 1 1076 659 96 CYS H H 8.664 0.01 1 1077 659 96 CYS HA H 5.470 0.01 1 1078 659 96 CYS HB2 H 2.653 0.01 2 1079 659 96 CYS HB3 H 2.816 0.01 2 1080 659 96 CYS C C 175.708 0.1 1 1081 659 96 CYS CA C 55.429 0.1 1 1082 659 96 CYS CB C 46.251 0.1 1 1083 659 96 CYS N N 115.628 0.1 1 1084 660 97 SER H H 8.915 0.01 1 1085 660 97 SER HA H 4.530 0.01 1 1086 660 97 SER HB2 H 3.829 0.01 2 1087 660 97 SER HB3 H 3.962 0.01 2 1088 660 97 SER C C 176.310 0.1 1 1089 660 97 SER CA C 57.671 0.1 1 1090 660 97 SER CB C 64.502 0.1 1 1091 660 97 SER N N 118.552 0.1 1 1092 661 98 GLY H H 8.567 0.01 1 1093 661 98 GLY HA2 H 3.854 0.01 1 1094 661 98 GLY HA3 H 3.854 0.01 1 1095 661 98 GLY C C 175.844 0.1 1 1096 661 98 GLY CA C 47.028 0.1 1 1097 661 98 GLY N N 105.809 0.1 1 1098 662 99 GLY H H 8.756 0.01 1 1099 662 99 GLY HA2 H 3.784 0.01 2 1100 662 99 GLY HA3 H 4.071 0.01 2 1101 662 99 GLY C C 176.394 0.1 1 1102 662 99 GLY CA C 45.249 0.1 1 1103 662 99 GLY N N 109.367 0.1 1 1104 663 100 MET H H 7.315 0.01 1 1105 663 100 MET HA H 4.457 0.01 1 1106 663 100 MET HB2 H 1.931 0.01 2 1107 663 100 MET HB3 H 2.108 0.01 2 1108 663 100 MET HG2 H 2.198 0.01 2 1109 663 100 MET HG3 H 2.599 0.01 2 1110 663 100 MET HE H 1.952 0.01 1 1111 663 100 MET C C 176.512 0.1 1 1112 663 100 MET CA C 56.127 0.1 1 1113 663 100 MET CB C 35.734 0.1 1 1114 663 100 MET CG C 33.498 0.1 1 1115 663 100 MET CE C 17.896 0.1 1 1116 663 100 MET N N 117.964 0.1 1 1117 664 101 SER H H 8.972 0.01 1 1118 664 101 SER HA H 4.632 0.01 1 1119 664 101 SER HB2 H 3.615 0.01 2 1120 664 101 SER HB3 H 3.770 0.01 2 1121 664 101 SER C C 178.606 0.1 1 1122 664 101 SER CA C 57.426 0.1 1 1123 664 101 SER CB C 64.985 0.1 1 1124 664 101 SER N N 115.458 0.1 1 1125 665 102 LEU H H 8.436 0.01 1 1126 665 102 LEU HA H 4.782 0.01 1 1127 665 102 LEU HB2 H 1.322 0.01 2 1128 665 102 LEU HB3 H 1.717 0.01 2 1129 665 102 LEU HG H 0.712 0.01 1 1130 665 102 LEU HD1 H 0.703 0.01 2 1131 665 102 LEU HD2 H 1.289 0.01 2 1132 665 102 LEU C C 174.108 0.1 1 1133 665 102 LEU CA C 55.266 0.1 1 1134 665 102 LEU CB C 43.236 0.1 1 1135 665 102 LEU CG C 27.028 0.1 1 1136 665 102 LEU CD1 C 24.098 0.1 2 1137 665 102 LEU CD2 C 27.309 0.1 2 1138 665 102 LEU N N 127.114 0.1 1 1139 666 103 GLU H H 9.252 0.01 1 1140 666 103 GLU HA H 4.556 0.01 1 1141 666 103 GLU HB2 H 1.777 0.01 2 1142 666 103 GLU HB3 H 1.939 0.01 2 1143 666 103 GLU HG2 H 2.119 0.01 2 1144 666 103 GLU HG3 H 2.154 0.01 2 1145 666 103 GLU C C 176.207 0.1 1 1146 666 103 GLU CA C 55.540 0.1 1 1147 666 103 GLU CB C 32.178 0.1 1 1148 666 103 GLU CG C 36.541 0.1 1 1149 666 103 GLU N N 129.856 0.1 1 1150 667 104 GLY H H 8.248 0.01 1 1151 667 104 GLY HA2 H 3.685 0.01 2 1152 667 104 GLY HA3 H 4.818 0.01 2 1153 667 104 GLY C C 173.497 0.1 1 1154 667 104 GLY CA C 43.585 0.1 1 1155 667 104 GLY N N 111.254 0.1 1 1156 668 105 PRO HA H 4.251 0.01 1 1157 668 105 PRO HB2 H 1.426 0.01 2 1158 668 105 PRO HB3 H 2.113 0.01 2 1159 668 105 PRO HG2 H 1.981 0.01 2 1160 668 105 PRO HG3 H 1.981 0.01 2 1161 668 105 PRO HD2 H 3.503 0.01 2 1162 668 105 PRO HD3 H 3.503 0.01 2 1163 668 105 PRO C C 177.527 0.1 1 1164 668 105 PRO CA C 62.538 0.1 1 1165 668 105 PRO CB C 31.720 0.1 1 1166 668 105 PRO CG C 27.292 0.1 1 1167 668 105 PRO CD C 49.298 0.1 1 1168 669 106 SER H H 7.775 0.01 1 1169 669 106 SER HA H 4.601 0.01 1 1170 669 106 SER HB2 H 3.602 0.01 2 1171 669 106 SER HB3 H 4.189 0.01 2 1172 669 106 SER C C 177.862 0.1 1 1173 669 106 SER CA C 56.967 0.1 1 1174 669 106 SER CB C 65.586 0.1 1 1175 669 106 SER N N 107.197 0.1 1 1176 670 107 ALA H H 6.653 0.01 1 1177 670 107 ALA HA H 5.165 0.01 1 1178 670 107 ALA HB H 1.165 0.01 1 1179 670 107 ALA C C 175.675 0.1 1 1180 670 107 ALA CA C 50.784 0.1 1 1181 670 107 ALA CB C 22.225 0.1 1 1182 670 107 ALA N N 122.466 0.1 1 1183 671 108 PHE H H 8.815 0.01 1 1184 671 108 PHE HA H 5.000 0.01 1 1185 671 108 PHE HB2 H 2.346 0.01 2 1186 671 108 PHE HB3 H 2.931 0.01 2 1187 671 108 PHE HD1 H 7.055 0.01 3 1188 671 108 PHE HD2 H 7.055 0.01 3 1189 671 108 PHE HE1 H 6.816 0.01 3 1190 671 108 PHE HE2 H 6.816 0.01 3 1191 671 108 PHE HZ H 6.969 0.01 1 1192 671 108 PHE C C 177.401 0.1 1 1193 671 108 PHE CA C 56.962 0.1 1 1194 671 108 PHE CB C 44.003 0.1 1 1195 671 108 PHE CD1 C 132.854 0.1 3 1196 671 108 PHE CD2 C 132.854 0.1 3 1197 671 108 PHE CE1 C 130.462 0.1 3 1198 671 108 PHE CE2 C 130.462 0.1 3 1199 671 108 PHE CZ C 129.483 0.1 1 1200 671 108 PHE N N 119.061 0.1 1 1201 672 109 LEU H H 8.980 0.01 1 1202 672 109 LEU HA H 5.290 0.01 1 1203 672 109 LEU HB2 H 1.594 0.01 2 1204 672 109 LEU HB3 H 1.754 0.01 2 1205 672 109 LEU HG H 1.427 0.01 1 1206 672 109 LEU HD1 H 0.838 0.01 2 1207 672 109 LEU HD2 H 0.871 0.01 2 1208 672 109 LEU C C 174.343 0.1 1 1209 672 109 LEU CA C 53.405 0.1 1 1210 672 109 LEU CB C 46.467 0.1 1 1211 672 109 LEU CG C 27.341 0.1 1 1212 672 109 LEU CD1 C 24.428 0.1 2 1213 672 109 LEU CD2 C 25.306 0.1 2 1214 672 109 LEU N N 122.774 0.1 1 1215 673 110 CYS H H 8.722 0.01 1 1216 673 110 CYS HA H 3.908 0.01 1 1217 673 110 CYS HB2 H 1.867 0.01 2 1218 673 110 CYS HB3 H 2.802 0.01 2 1219 673 110 CYS C C 176.668 0.1 1 1220 673 110 CYS CA C 54.697 0.1 1 1221 673 110 CYS CB C 36.823 0.1 1 1222 673 110 CYS N N 125.327 0.1 1 1223 674 111 GLY H H 7.906 0.01 1 1224 674 111 GLY HA2 H 3.944 0.01 2 1225 674 111 GLY HA3 H 4.419 0.01 2 1226 674 111 GLY C C 176.682 0.1 1 1227 674 111 GLY CA C 44.497 0.1 1 1228 674 111 GLY N N 118.672 0.1 1 1229 675 112 SER H H 8.657 0.01 1 1230 675 112 SER HA H 4.037 0.01 1 1231 675 112 SER HB2 H 3.861 0.01 2 1232 675 112 SER HB3 H 3.935 0.01 2 1233 675 112 SER C C 175.808 0.1 1 1234 675 112 SER CA C 61.234 0.1 1 1235 675 112 SER CB C 62.615 0.1 1 1236 675 112 SER N N 114.079 0.1 1 1237 676 113 SER H H 8.036 0.01 1 1238 676 113 SER HA H 4.293 0.01 1 1239 676 113 SER HB2 H 3.846 0.01 2 1240 676 113 SER HB3 H 3.947 0.01 2 1241 676 113 SER C C 177.088 0.1 1 1242 676 113 SER CA C 58.139 0.1 1 1243 676 113 SER CB C 63.351 0.1 1 1244 676 113 SER N N 115.401 0.1 1 1245 677 114 LEU H H 8.419 0.01 1 1246 677 114 LEU HA H 3.822 0.01 1 1247 677 114 LEU HB2 H 1.243 0.01 2 1248 677 114 LEU HB3 H 2.028 0.01 2 1249 677 114 LEU HG H 1.250 0.01 1 1250 677 114 LEU HD1 H 0.652 0.01 2 1251 677 114 LEU HD2 H 0.506 0.01 2 1252 677 114 LEU C C 176.191 0.1 1 1253 677 114 LEU CA C 56.152 0.1 1 1254 677 114 LEU CB C 36.235 0.1 1 1255 677 114 LEU CG C 26.778 0.1 1 1256 677 114 LEU CD1 C 22.435 0.1 2 1257 677 114 LEU CD2 C 25.265 0.1 2 1258 677 114 LEU N N 116.805 0.1 1 1259 678 115 LYS H H 7.090 0.01 1 1260 678 115 LYS HA H 4.488 0.01 1 1261 678 115 LYS HB2 H 1.498 0.01 2 1262 678 115 LYS HB3 H 1.834 0.01 2 1263 678 115 LYS HG2 H 1.309 0.01 1 1264 678 115 LYS HG3 H 1.309 0.01 1 1265 678 115 LYS HD2 H 1.598 0.01 2 1266 678 115 LYS HD3 H 1.673 0.01 2 1267 678 115 LYS HE2 H 2.978 0.01 1 1268 678 115 LYS HE3 H 2.978 0.01 1 1269 678 115 LYS C C 174.574 0.1 1 1270 678 115 LYS CA C 53.680 0.1 1 1271 678 115 LYS CB C 35.007 0.1 1 1272 678 115 LYS CG C 24.716 0.1 1 1273 678 115 LYS CD C 28.980 0.1 1 1274 678 115 LYS CE C 41.965 0.1 1 1275 678 115 LYS N N 116.583 0.1 1 1276 679 116 TRP H H 8.155 0.01 1 1277 679 116 TRP HA H 5.035 0.01 1 1278 679 116 TRP HB2 H 3.070 0.01 2 1279 679 116 TRP HB3 H 3.283 0.01 2 1280 679 116 TRP HD1 H 7.284 0.01 1 1281 679 116 TRP HE1 H 9.475 0.01 1 1282 679 116 TRP HE3 H 7.106 0.01 1 1283 679 116 TRP HZ2 H 6.382 0.01 1 1284 679 116 TRP HZ3 H 6.725 0.01 1 1285 679 116 TRP HH2 H 5.917 0.01 1 1286 679 116 TRP C C 174.448 0.1 1 1287 679 116 TRP CA C 56.862 0.1 1 1288 679 116 TRP CB C 30.842 0.1 1 1289 679 116 TRP CD1 C 126.165 0.1 1 1290 679 116 TRP CE3 C 120.213 0.1 1 1291 679 116 TRP CZ2 C 112.762 0.1 1 1292 679 116 TRP CZ3 C 122.575 0.1 1 1293 679 116 TRP CH2 C 123.754 0.1 1 1294 679 116 TRP N N 124.588 0.1 1 1295 679 116 TRP NE1 N 126.187 0.1 1 1296 680 117 SER H H 9.115 0.01 1 1297 680 117 SER HA H 4.862 0.01 1 1298 680 117 SER HB2 H 3.795 0.01 2 1299 680 117 SER HB3 H 3.865 0.01 2 1300 680 117 SER C C 176.123 0.1 1 1301 680 117 SER CA C 55.670 0.1 1 1302 680 117 SER CB C 65.433 0.1 1 1303 680 117 SER N N 116.505 0.1 1 1304 681 118 PRO HA H 5.011 0.01 1 1305 681 118 PRO HB2 H 2.299 0.01 2 1306 681 118 PRO HB3 H 2.556 0.01 2 1307 681 118 PRO HG2 H 1.642 0.01 2 1308 681 118 PRO HG3 H 1.883 0.01 2 1309 681 118 PRO HD2 H 3.805 0.01 2 1310 681 118 PRO HD3 H 3.438 0.01 2 1311 681 118 PRO C C 177.500 0.1 1 1312 681 118 PRO CA C 63.719 0.1 1 1313 681 118 PRO CB C 33.844 0.1 1 1314 681 118 PRO CG C 25.411 0.1 1 1315 681 118 PRO CD C 49.721 0.1 1 1316 682 119 GLU H H 8.151 0.01 1 1317 682 119 GLU HA H 4.249 0.01 1 1318 682 119 GLU HB2 H 2.056 0.01 2 1319 682 119 GLU HB3 H 2.057 0.01 2 1320 682 119 GLU HG2 H 2.422 0.01 2 1321 682 119 GLU HG3 H 2.343 0.01 2 1322 682 119 GLU C C 172.993 0.1 1 1323 682 119 GLU CA C 57.707 0.1 1 1324 682 119 GLU CB C 29.940 0.1 1 1325 682 119 GLU CG C 37.126 0.1 1 1326 682 119 GLU N N 114.048 0.1 1 1327 683 120 MET H H 8.163 0.01 1 1328 683 120 MET HA H 3.457 0.01 1 1329 683 120 MET HB2 H 1.092 0.01 2 1330 683 120 MET HB3 H 1.170 0.01 2 1331 683 120 MET HG2 H 0.808 0.01 2 1332 683 120 MET HG3 H 1.172 0.01 2 1333 683 120 MET HE H 0.291 0.01 1 1334 683 120 MET C C 173.577 0.1 1 1335 683 120 MET CA C 58.429 0.1 1 1336 683 120 MET CB C 32.915 0.1 1 1337 683 120 MET CG C 31.543 0.1 1 1338 683 120 MET CE C 15.511 0.1 1 1339 683 120 MET N N 126.310 0.1 1 1340 684 121 LYS H H 8.231 0.01 1 1341 684 121 LYS HA H 4.097 0.01 1 1342 684 121 LYS HB2 H 1.810 0.01 2 1343 684 121 LYS HB3 H 1.875 0.01 2 1344 684 121 LYS HG2 H 1.239 0.01 2 1345 684 121 LYS HG3 H 1.340 0.01 2 1346 684 121 LYS HD2 H 1.643 0.01 2 1347 684 121 LYS HD3 H 1.643 0.01 2 1348 684 121 LYS HE2 H 2.944 0.01 2 1349 684 121 LYS HE3 H 2.944 0.01 2 1350 684 121 LYS C C 175.685 0.1 1 1351 684 121 LYS CA C 57.871 0.1 1 1352 684 121 LYS CB C 31.502 0.1 1 1353 684 121 LYS CG C 24.205 0.1 1 1354 684 121 LYS CD C 29.233 0.1 1 1355 684 121 LYS CE C 41.771 0.1 1 1356 684 121 LYS N N 115.956 0.1 1 1357 685 122 ASN H H 7.479 0.01 1 1358 685 122 ASN HA H 4.604 0.01 1 1359 685 122 ASN HB2 H 2.726 0.01 2 1360 685 122 ASN HB3 H 2.974 0.01 2 1361 685 122 ASN HD21 H 7.225 0.01 1 1362 685 122 ASN HD22 H 7.656 0.01 1 1363 685 122 ASN C C 176.643 0.1 1 1364 685 122 ASN CA C 53.818 0.1 1 1365 685 122 ASN CB C 38.920 0.1 1 1366 685 122 ASN CG C 174.446 0.1 1 1367 685 122 ASN N N 115.371 0.1 1 1368 685 122 ASN ND2 N 113.289 0.1 1 1369 686 123 ALA H H 7.473 0.01 1 1370 686 123 ALA HA H 4.825 0.01 1 1371 686 123 ALA HB H 1.417 0.01 1 1372 686 123 ALA C C 175.430 0.1 1 1373 686 123 ALA CA C 52.202 0.1 1 1374 686 123 ALA CB C 19.232 0.1 1 1375 686 123 ALA N N 124.070 0.1 1 1376 687 124 ARG H H 8.321 0.01 1 1377 687 124 ARG HA H 4.640 0.01 1 1378 687 124 ARG HB2 H 1.757 0.01 2 1379 687 124 ARG HB3 H 1.757 0.01 2 1380 687 124 ARG HG2 H 1.406 0.01 2 1381 687 124 ARG HG3 H 1.589 0.01 2 1382 687 124 ARG HD2 H 3.131 0.01 2 1383 687 124 ARG HD3 H 3.130 0.01 2 1384 687 124 ARG HE H 7.150 0.01 1 1385 687 124 ARG C C 177.745 0.1 1 1386 687 124 ARG CA C 54.586 0.1 1 1387 687 124 ARG CB C 33.908 0.1 1 1388 687 124 ARG CG C 26.789 0.1 1 1389 687 124 ARG CD C 43.427 0.1 1 1390 687 124 ARG N N 118.987 0.1 1 1391 687 124 ARG NE N 84.900 0.1 1 1392 688 125 CYS H H 8.545 0.01 1 1393 688 125 CYS HA H 5.429 0.01 1 1394 688 125 CYS HB2 H 2.829 0.01 2 1395 688 125 CYS HB3 H 2.917 0.01 2 1396 688 125 CYS C C 176.542 0.1 1 1397 688 125 CYS CA C 54.101 0.1 1 1398 688 125 CYS CB C 43.861 0.1 1 1399 688 125 CYS N N 119.605 0.1 1 1400 689 126 VAL H H 9.408 0.01 1 1401 689 126 VAL HA H 4.485 0.01 1 1402 689 126 VAL HB H 2.074 0.01 1 1403 689 126 VAL HG1 H 0.790 0.01 2 1404 689 126 VAL HG2 H 0.829 0.01 2 1405 689 126 VAL C C 176.210 0.1 1 1406 689 126 VAL CA C 60.036 0.1 1 1407 689 126 VAL CB C 35.277 0.1 1 1408 689 126 VAL CG1 C 19.508 0.1 2 1409 689 126 VAL CG2 C 21.237 0.1 2 1410 689 126 VAL N N 120.522 0.1 1 1411 690 127 GLN H H 8.726 0.01 1 1412 690 127 GLN HA H 4.392 0.01 1 1413 690 127 GLN HB2 H 1.942 0.01 2 1414 690 127 GLN HB3 H 2.072 0.01 2 1415 690 127 GLN HG2 H 2.341 0.01 2 1416 690 127 GLN HG3 H 2.341 0.01 2 1417 690 127 GLN HE21 H 6.766 0.01 1 1418 690 127 GLN HE22 H 7.606 0.01 1 1419 690 127 GLN C C 175.649 0.1 1 1420 690 127 GLN CA C 55.752 0.1 1 1421 690 127 GLN CB C 29.183 0.1 1 1422 690 127 GLN CG C 33.598 0.1 1 1423 690 127 GLN CD C 178.141 0.1 1 1424 690 127 GLN N N 124.504 0.1 1 1425 690 127 GLN NE2 N 112.354 0.1 1 1426 691 128 LYS H H 8.558 0.01 1 1427 691 128 LYS HA H 4.326 0.01 1 1428 691 128 LYS HB2 H 1.707 0.01 2 1429 691 128 LYS HB3 H 1.819 0.01 2 1430 691 128 LYS HG2 H 1.399 0.01 2 1431 691 128 LYS HG3 H 1.399 0.01 2 1432 691 128 LYS HD2 H 1.645 0.01 1 1433 691 128 LYS HD3 H 1.645 0.01 1 1434 691 128 LYS HE2 H 2.919 0.01 2 1435 691 128 LYS HE3 H 2.919 0.01 2 1436 691 128 LYS C C 175.743 0.1 1 1437 691 128 LYS CA C 56.413 0.1 1 1438 691 128 LYS CB C 33.372 0.1 1 1439 691 128 LYS CG C 24.733 0.1 1 1440 691 128 LYS CD C 29.013 0.1 1 1441 691 128 LYS CE C 41.898 0.1 1 1442 691 128 LYS N N 126.325 0.1 1 1443 692 129 GLU H H 8.112 0.01 1 1444 692 129 GLU HA H 4.104 0.01 1 1445 692 129 GLU HB2 H 2.020 0.01 2 1446 692 129 GLU HB3 H 1.860 0.01 2 1447 692 129 GLU HG2 H 2.179 0.01 1 1448 692 129 GLU HG3 H 2.179 0.01 1 1449 692 129 GLU C C 177.218 0.1 1 1450 692 129 GLU CA C 58.037 0.1 1 1451 692 129 GLU CB C 31.062 0.1 1 1452 692 129 GLU CG C 36.606 0.1 1 1453 692 129 GLU N N 128.023 0.1 1 stop_ save_