data_19715 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 13C, 15N and 1H backbone and sidechain chemical shift assignment of receiver domain of ethylene receptor ETR1 ; _BMRB_accession_number 19715 _BMRB_flat_file_name bmr19715.str _Entry_type original _Submission_date 2014-01-02 _Accession_date 2014-01-02 _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 Hung Yi-Lin . . 2 Sue Shih-Che . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 686 "13C chemical shifts" 539 "15N chemical shifts" 136 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-04-14 original author . stop_ _Original_release_date 2014-04-14 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title '(13)C, (15)N and (1)H resonance assignments of receiver domain of ethylene receptor ETR1.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24696326 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hung Yi-Lin . . 2 Lin Yi-Jan . . 3 Sue Shih-Che . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Receiver domain of ethylene receptor ETR1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Receiver domain of ethylene receptor ETR1' $Receiver_domain_of_ethylene_receptor_ETR1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Receiver_domain_of_ethylene_receptor_ETR1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Receiver_domain_of_ethylene_receptor_ETR1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 144 _Mol_residue_sequence ; MHHHHHHAMGSNFTGLKVLV MDENGVSRMVTKGLLVHLGC EVTTVSSNEECLRVVSHEHK VVFMDVCMPGVENYQIALRI HEKFTKQRHQRPLLVALSGN TDKSTKEKCMSFGLDGVLLK PVSLDNIRDVLSDLLEPRVL YEGM ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 595 MET 2 596 HIS 3 597 HIS 4 598 HIS 5 599 HIS 6 600 HIS 7 601 HIS 8 602 ALA 9 603 MET 10 604 GLY 11 605 SER 12 606 ASN 13 607 PHE 14 608 THR 15 609 GLY 16 610 LEU 17 611 LYS 18 612 VAL 19 613 LEU 20 614 VAL 21 615 MET 22 616 ASP 23 617 GLU 24 618 ASN 25 619 GLY 26 620 VAL 27 621 SER 28 622 ARG 29 623 MET 30 624 VAL 31 625 THR 32 626 LYS 33 627 GLY 34 628 LEU 35 629 LEU 36 630 VAL 37 631 HIS 38 632 LEU 39 633 GLY 40 634 CYS 41 635 GLU 42 636 VAL 43 637 THR 44 638 THR 45 639 VAL 46 640 SER 47 641 SER 48 642 ASN 49 643 GLU 50 644 GLU 51 645 CYS 52 646 LEU 53 647 ARG 54 648 VAL 55 649 VAL 56 650 SER 57 651 HIS 58 652 GLU 59 653 HIS 60 654 LYS 61 655 VAL 62 656 VAL 63 657 PHE 64 658 MET 65 659 ASP 66 660 VAL 67 661 CYS 68 662 MET 69 663 PRO 70 664 GLY 71 665 VAL 72 666 GLU 73 667 ASN 74 668 TYR 75 669 GLN 76 670 ILE 77 671 ALA 78 672 LEU 79 673 ARG 80 674 ILE 81 675 HIS 82 676 GLU 83 677 LYS 84 678 PHE 85 679 THR 86 680 LYS 87 681 GLN 88 682 ARG 89 683 HIS 90 684 GLN 91 685 ARG 92 686 PRO 93 687 LEU 94 688 LEU 95 689 VAL 96 690 ALA 97 691 LEU 98 692 SER 99 693 GLY 100 694 ASN 101 695 THR 102 696 ASP 103 697 LYS 104 698 SER 105 699 THR 106 700 LYS 107 701 GLU 108 702 LYS 109 703 CYS 110 704 MET 111 705 SER 112 706 PHE 113 707 GLY 114 708 LEU 115 709 ASP 116 710 GLY 117 711 VAL 118 712 LEU 119 713 LEU 120 714 LYS 121 715 PRO 122 716 VAL 123 717 SER 124 718 LEU 125 719 ASP 126 720 ASN 127 721 ILE 128 722 ARG 129 723 ASP 130 724 VAL 131 725 LEU 132 726 SER 133 727 ASP 134 728 LEU 135 729 LEU 136 730 GLU 137 731 PRO 138 732 ARG 139 733 VAL 140 734 LEU 141 735 TYR 142 736 GLU 143 737 GLY 144 738 MET stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1DCF "Crystal Structure Of The Receiver Domain Of The Ethylene Receptor Of Arabidopsis Thaliana" 93.06 136 100.00 100.00 1.13e-90 GB AAA70047 "ETR1 [Arabidopsis thaliana]" 93.06 738 100.00 100.00 3.43e-86 GB AAG52169 "ethylene-response protein, ETR1; 36345-39013 [Arabidopsis thaliana]" 93.06 738 100.00 100.00 3.43e-86 GB AAO47024 "ethylene receptor [Arabidopsis thaliana]" 61.11 505 100.00 100.00 3.29e-52 GB AAO47025 "ethylene receptor [Arabidopsis thaliana]" 61.11 505 100.00 100.00 3.43e-52 GB AAO47026 "ethylene receptor [Arabidopsis thaliana]" 61.11 505 97.73 100.00 4.89e-51 REF NP_176808 "ethylene receptor 1 [Arabidopsis thaliana]" 93.06 738 100.00 100.00 3.43e-86 SP P49333 "RecName: Full=Ethylene receptor 1; Short=AtETR1; AltName: Full=Protein ETHYLENE RESPONSE 1; AltName: Full=Protein ETR1" 93.06 738 100.00 100.00 3.43e-86 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Receiver_domain_of_ethylene_receptor_ETR1 'Thale cress' 3702 Eukaryota Viridiplantae Arabidopsis thaliana stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Receiver_domain_of_ethylene_receptor_ETR1 'recombinant technology' . Escherichia coli . pET-6H stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_Receiver_domain_of_ethylene_receptor_ETR1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Receiver_domain_of_ethylene_receptor_ETR1 0.5 mM '[U-100% 13C; U-100% 15N]' 'sodium chloride' 150 mM 'natural abundance' TRIS 40 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_Topspin _Saveframe_category software _Name Topspin _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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_Receiver_domain_of_ethylene_receptor_ETR1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_Receiver_domain_of_ethylene_receptor_ETR1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_Receiver_domain_of_ethylene_receptor_ETR1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_Receiver_domain_of_ethylene_receptor_ETR1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_Receiver_domain_of_ethylene_receptor_ETR1 save_ save_3D_HN(COCA)CB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_Receiver_domain_of_ethylene_receptor_ETR1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_Receiver_domain_of_ethylene_receptor_ETR1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_Receiver_domain_of_ethylene_receptor_ETR1 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_Receiver_domain_of_ethylene_receptor_ETR1 save_ save_3D_C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_Receiver_domain_of_ethylene_receptor_ETR1 save_ save_3D_HCCH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_Receiver_domain_of_ethylene_receptor_ETR1 save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_Receiver_domain_of_ethylene_receptor_ETR1 save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_Receiver_domain_of_ethylene_receptor_ETR1 save_ save_3D_1H-13C_NOESY_aliphatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_Receiver_domain_of_ethylene_receptor_ETR1 save_ save_3D_1H-13C_NOESY_aromatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_Receiver_domain_of_ethylene_receptor_ETR1 save_ ####################### # Sample conditions # ####################### save_sample_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_DSS _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D HN(COCA)CB' '3D HNCO' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D C(CO)NH' '3D HCCH-COSY' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_Receiver_domain_of_ethylene_receptor_ETR1 stop_ _Sample_conditions_label $sample_condition_1 _Chem_shift_reference_set_label $DSS _Mol_system_component_name 'Receiver domain of ethylene receptor ETR1' _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 1 605 11 SER H H 8.095 0.02 1 2 605 11 SER HA H 4.315 0.007 1 3 605 11 SER HB2 H 3.682 0.0035 2 4 605 11 SER HB3 H 3.682 0.0035 2 5 605 11 SER C C 173.526 0.011 1 6 605 11 SER CA C 58.42 0.012 1 7 605 11 SER CB C 64.1 0.012 1 8 605 11 SER N N 115.489 0.033 1 9 606 12 ASN H H 8.069 0.018 1 10 606 12 ASN HA H 4.603 0.011 1 11 606 12 ASN HB2 H 3.096 0.008 2 12 606 12 ASN HB3 H 2.633 0.019 2 13 606 12 ASN HD21 H 7.521 0.002 2 14 606 12 ASN HD22 H 6.863 0.002 2 15 606 12 ASN C C 174.535 0.008 1 16 606 12 ASN CA C 52.794 0.017 1 17 606 12 ASN CB C 39.624 0.067 1 18 606 12 ASN N N 119.694 0.044 1 19 606 12 ASN ND2 N 112.7 0.0035 1 20 607 13 PHE H H 8.606 0.018 1 21 607 13 PHE HA H 4.771 0.01 1 22 607 13 PHE HB2 H 3.315 0.004 2 23 607 13 PHE HB3 H 2.675 0.003 2 24 607 13 PHE HD1 H 7.112 0.005 3 25 607 13 PHE HD2 H 7.112 0.005 3 26 607 13 PHE C C 174.654 0.027 1 27 607 13 PHE CA C 56.629 0.031 1 28 607 13 PHE CB C 39.082 0.055 1 29 607 13 PHE N N 120.988 0.057 1 30 608 14 THR H H 7.639 0.015 1 31 608 14 THR HA H 4.016 0.01 1 32 608 14 THR HB H 4.051 0.004 1 33 608 14 THR HG2 H 1.28 0.013 1 34 608 14 THR C C 176.456 0 1 35 608 14 THR CA C 65.087 0.042 1 36 608 14 THR CB C 68.97 0.021 1 37 608 14 THR CG2 C 21.413 0.06 1 38 608 14 THR N N 114.587 0.025 1 39 609 15 GLY H H 8.747 0.018 1 40 609 15 GLY HA2 H 4.289 0.014 2 41 609 15 GLY HA3 H 3.757 0.019 2 42 609 15 GLY C C 173.936 0.009 1 43 609 15 GLY CA C 45.165 0.048 1 44 609 15 GLY N N 115.818 0.064 1 45 610 16 LEU H H 7.99 0.018 1 46 610 16 LEU HA H 4.197 0.01 1 47 610 16 LEU HB2 H 2.197 0.015 2 48 610 16 LEU HB3 H 1.576 0.001 2 49 610 16 LEU HD1 H 1.004 0.008 2 50 610 16 LEU HD2 H 0.798 0.014 2 51 610 16 LEU C C 176.653 0 1 52 610 16 LEU CA C 55.996 0.085 1 53 610 16 LEU CB C 43.319 0.024 1 54 610 16 LEU CD1 C 24.48 0.05 2 55 610 16 LEU CD2 C 27.04 0.068 2 56 610 16 LEU N N 123.542 0.034 1 57 611 17 LYS H H 8.544 0.014 1 58 611 17 LYS HA H 5.206 0.018 1 59 611 17 LYS HB2 H 2.184 0.012 2 60 611 17 LYS HB3 H 1.792 0.018 2 61 611 17 LYS HG2 H 1.672 0.019 2 62 611 17 LYS HG3 H 1.35 0.025 2 63 611 17 LYS HD2 H 1.727 0.007 2 64 611 17 LYS HD3 H 1.807 0.005 2 65 611 17 LYS HE2 H 3.03 0.002 2 66 611 17 LYS HE3 H 2.922 0.006 2 67 611 17 LYS C C 176.365 0.001 1 68 611 17 LYS CA C 56.904 0.073 1 69 611 17 LYS CB C 32.939 0.044 1 70 611 17 LYS CG C 26.055 0.046 1 71 611 17 LYS CD C 29.88 0.02 1 72 611 17 LYS CE C 41.974 0.122 1 73 611 17 LYS N N 130.409 0.064 1 74 612 18 VAL H H 8.659 0.016 1 75 612 18 VAL HA H 5.305 0.039 1 76 612 18 VAL HB H 2.143 0.017 1 77 612 18 VAL HG1 H 0.934 0.021 2 78 612 18 VAL HG2 H 0.954 0.007 2 79 612 18 VAL C C 172.897 0.008 1 80 612 18 VAL CA C 58.978 0.089 1 81 612 18 VAL CB C 36.117 0.016 1 82 612 18 VAL CG1 C 22.61 0.002 2 83 612 18 VAL CG2 C 21.3 0.001 2 84 612 18 VAL N N 118.286 0.045 1 85 613 19 LEU H H 8.715 0.014 1 86 613 19 LEU HA H 5.361 0.031 1 87 613 19 LEU HB2 H 1.585 0.007 2 88 613 19 LEU HB3 H 0.637 0.077 2 89 613 19 LEU HG H 1.24 0.002 1 90 613 19 LEU HD1 H 0.472 0.001 2 91 613 19 LEU HD2 H 0.672 0.007 2 92 613 19 LEU C C 174.681 0.028 1 93 613 19 LEU CA C 52.898 0.066 1 94 613 19 LEU CB C 45.996 0.087 1 95 613 19 LEU CG C 26.893 0.014 1 96 613 19 LEU CD1 C 25.478 0.067 2 97 613 19 LEU CD2 C 26.9 0.027 2 98 613 19 LEU N N 126.594 0.03 1 99 614 20 VAL H H 8.953 0.014 1 100 614 20 VAL HA H 4.76 0.008 1 101 614 20 VAL HB H 1.806 0.001 1 102 614 20 VAL HG1 H 0.900 0.013 2 103 614 20 VAL HG2 H 0.71 0.017 2 104 614 20 VAL HG2 H 0.71 0.01 2 105 614 20 VAL HG2 H 0.71 0.017 2 106 614 20 VAL C C 172.925 0.027 1 107 614 20 VAL CA C 61.268 0.004 1 108 614 20 VAL CB C 34.98 0.056 1 109 614 20 VAL CG1 C 22.72 0.0015 2 110 614 20 VAL CG2 C 20.69 0.0005 2 111 614 20 VAL N N 125.679 0.044 1 112 615 21 MET H H 9.095 0.016 1 113 615 21 MET HA H 4.918 0.015 1 114 615 21 MET HB2 H 2.056 0.012 2 115 615 21 MET HB3 H 1.5 0.02 2 116 615 21 MET HG2 H 2.2 0.004 2 117 615 21 MET HG3 H 2.3 0.004 2 118 615 21 MET C C 173.869 0.003 1 119 615 21 MET CA C 53.753 0.005 1 120 615 21 MET CB C 34.153 0.009 1 121 615 21 MET CG C 33 0.001 1 122 615 21 MET N N 128.414 0.031 1 123 616 22 ASP H H 7.621 0.014 1 124 616 22 ASP HA H 4.817 0.041 1 125 616 22 ASP HB2 H 2.67 0.008 2 126 616 22 ASP HB3 H 2.311 0.01 2 127 616 22 ASP C C 175.921 0.029 1 128 616 22 ASP CA C 54.303 0.022 1 129 616 22 ASP CB C 42.591 0.065 1 130 616 22 ASP N N 125.063 0.024 1 131 617 23 GLU H H 9.495 0.015 1 132 617 23 GLU HA H 4.31 0.009 1 133 617 23 GLU HB2 H 2.101 0.005 2 134 617 23 GLU HB3 H 2.19 0.001 2 135 617 23 GLU HG2 H 2.46 0.024 2 136 617 23 GLU HG3 H 2.365 0.007 2 137 617 23 GLU C C 176.18 0.013 1 138 617 23 GLU CA C 58.422 0.023 1 139 617 23 GLU CB C 30.307 0.01 1 140 617 23 GLU CG C 36.505 0.047 1 141 617 23 GLU N N 128.899 0.048 1 142 618 24 ASN H H 8.865 0.015 1 143 618 24 ASN HA H 4.729 0.018 1 144 618 24 ASN HB2 H 3.361 0.006 2 145 618 24 ASN HB3 H 2.651 0.007 2 146 618 24 ASN HD21 H 7.821 0.0015 2 147 618 24 ASN HD22 H 7.014 0.0014 2 148 618 24 ASN C C 175.012 0.022 1 149 618 24 ASN CA C 52.656 0.002 1 150 618 24 ASN CB C 39.562 0.048 1 151 618 24 ASN N N 121.037 0.033 1 152 618 24 ASN ND2 N 113.801 0.0586 1 153 619 25 GLY H H 8.89 0.016 1 154 619 25 GLY HA2 H 3.932 0.012 2 155 619 25 GLY HA3 H 3.574 0.004 2 156 619 25 GLY C C 175.555 0.001 1 157 619 25 GLY CA C 47.599 0.002 1 158 619 25 GLY N N 113.838 0.026 1 159 620 26 VAL H H 7.963 0.015 1 160 620 26 VAL HA H 3.773 0.016 1 161 620 26 VAL HB H 2.151 0.022 1 162 620 26 VAL HG1 H 1.044 0.026 2 163 620 26 VAL HG2 H 0.955 0.004 2 164 620 26 VAL C C 178.601 0.016 1 165 620 26 VAL CA C 66.123 0.114 1 166 620 26 VAL CB C 31.673 0.005 1 167 620 26 VAL CG1 C 22.02 0.0005 2 168 620 26 VAL CG2 C 20.7 0.001 2 169 620 26 VAL N N 121.049 0.041 1 170 621 27 SER H H 7.558 0.014 1 171 621 27 SER HA H 4.069 0.008 1 172 621 27 SER HB2 H 3.808 0.022 2 173 621 27 SER HB3 H 3.96 0.015 2 174 621 27 SER C C 177.763 0.003 1 175 621 27 SER CA C 60.785 0.017 1 176 621 27 SER CB C 61.895 0.079 1 177 621 27 SER N N 114.055 0.031 1 178 622 28 ARG H H 8.51 0.012 1 179 622 28 ARG HA H 3.735 0.001 1 180 622 28 ARG HB2 H 1.818 0.007 2 181 622 28 ARG HB3 H 1.818 0.007 2 182 622 28 ARG C C 177.816 0.025 1 183 622 28 ARG CA C 60.321 0.03 1 184 622 28 ARG CB C 31.63 0.022 1 185 622 28 ARG CG C 27.68 0 1 186 622 28 ARG CD C 43.54 0 1 187 622 28 ARG N N 124.162 0.026 1 188 623 29 MET H H 7.266 0.014 1 189 623 29 MET HA H 4.334 0.005 1 190 623 29 MET HB2 H 2.262 0.007 2 191 623 29 MET HB3 H 2.148 0.004 2 192 623 29 MET HG2 H 2.761 0.01 2 193 623 29 MET HG3 H 2.761 0.01 2 194 623 29 MET C C 179.995 0.01 1 195 623 29 MET CA C 57.275 0.007 1 196 623 29 MET CB C 31.945 0.039 1 197 623 29 MET N N 114.108 0.023 1 198 624 30 VAL H H 7.821 0.014 1 199 624 30 VAL HA H 3.704 0.004 1 200 624 30 VAL HB H 2.213 0.019 1 201 624 30 VAL HG1 H 1.065 0.005 2 202 624 30 VAL HG2 H 0.875 0.012 2 203 624 30 VAL C C 179.123 0.007 1 204 624 30 VAL CA C 66.543 0.009 1 205 624 30 VAL CB C 31.457 0.025 1 206 624 30 VAL CG1 C 22.413 0.039 2 207 624 30 VAL CG2 C 20.916 0.018 2 208 624 30 VAL N N 124.139 0.026 1 209 625 31 THR H H 8.483 0.014 1 210 625 31 THR HA H 4.295 0.022 1 211 625 31 THR C C 176.06 0 1 212 625 31 THR CA C 67.328 0.019 1 213 625 31 THR N N 118.896 0.02 1 214 626 32 LYS H H 8.293 0.022 1 215 626 32 LYS HA H 3.716 0.004 1 216 626 32 LYS HB2 H 2.017 0.002 2 217 626 32 LYS HB3 H 1.683 0.001 2 218 626 32 LYS C C 177.104 0 1 219 626 32 LYS CA C 60.811 0.034 1 220 626 32 LYS CB C 32.272 0.01 1 221 626 32 LYS CG C 25.162 0 1 222 626 32 LYS N N 119.072 0.046 1 223 627 33 GLY H H 8.12 0.014 1 224 627 33 GLY HA2 H 3.942 0.011 2 225 627 33 GLY HA3 H 3.767 0.011 2 226 627 33 GLY C C 176.916 0.044 1 227 627 33 GLY CA C 47.311 0.014 1 228 627 33 GLY N N 104.961 0.03 1 229 628 34 LEU H H 7.727 0.014 1 230 628 34 LEU HA H 4.091 0.026 1 231 628 34 LEU HB2 H 1.884 0.007 2 232 628 34 LEU HB3 H 1.151 0.02 2 233 628 34 LEU HG H 0.649 0.03 1 234 628 34 LEU HD1 H 0.828 0.009 2 235 628 34 LEU HD2 H 0.701 0.011 2 236 628 34 LEU C C 178.131 0.042 1 237 628 34 LEU CA C 57.968 0.04 1 238 628 34 LEU CB C 42.318 0.042 1 239 628 34 LEU CG C 26.321 0.001 1 240 628 34 LEU CD1 C 22.36 0.010 2 241 628 34 LEU CD2 C 22.36 0.010 2 242 628 34 LEU N N 122.324 0.036 1 243 629 35 LEU H H 7.473 0.013 1 244 629 35 LEU HA H 3.875 0.017 1 245 629 35 LEU HB2 H 1.854 0.004 2 246 629 35 LEU HB3 H 0.963 0.008 2 247 629 35 LEU C C 180.097 0.039 1 248 629 35 LEU CA C 57.924 0.009 1 249 629 35 LEU CB C 42.668 0.027 1 250 629 35 LEU CG C 27.12 0.073 1 251 629 35 LEU CD1 C 24.43 0.035 2 252 629 35 LEU CD2 C 18.41 0.024 2 253 629 35 LEU N N 117.709 0.032 1 254 630 36 VAL H H 9.011 0.013 1 255 630 36 VAL HA H 4.003 0.018 1 256 630 36 VAL HB H 2.171 0.014 1 257 630 36 VAL HG1 H 1.068 0.02 2 258 630 36 VAL HG2 H 1.017 0.013 2 259 630 36 VAL C C 181.254 0.017 1 260 630 36 VAL CA C 66.327 0.041 1 261 630 36 VAL CB C 31.653 0.118 1 262 630 36 VAL CG1 C 23.302 0.001 2 263 630 36 VAL CG2 C 21.288 0.002 2 264 630 36 VAL N N 121.83 0.036 1 265 631 37 HIS H H 8.061 0.014 1 266 631 37 HIS HA H 4.442 0.02 1 267 631 37 HIS HB2 H 3.532 0.025 2 268 631 37 HIS HB3 H 3.458 0.035 2 269 631 37 HIS HD2 H 6.942 0 1 270 631 37 HIS C C 176.903 0 1 271 631 37 HIS CA C 59.176 0.052 1 272 631 37 HIS CB C 28.4 0.311 1 273 631 37 HIS N N 121.946 0.044 1 274 632 38 LEU H H 7.367 0.013 1 275 632 38 LEU HA H 4.415 0.008 1 276 632 38 LEU HB2 H 2.128 0.036 2 277 632 38 LEU HB3 H 1.897 0.007 2 278 632 38 LEU HG H 0.649 0.03 1 279 632 38 LEU HD1 H 0.800 0.01 2 280 632 38 LEU HD2 H 0.800 0.010 2 281 632 38 LEU C C 175.747 0 1 282 632 38 LEU CA C 55.325 0.073 1 283 632 38 LEU CB C 43.253 0.123 1 284 632 38 LEU CG C 26.059 0.059 1 285 632 38 LEU CD1 C 23.191 0.058 2 286 632 38 LEU CD2 C 23.191 0.058 2 287 632 38 LEU N N 116.695 0.033 1 288 633 39 GLY H H 8.025 0.014 1 289 633 39 GLY HA2 H 4.389 0.013 2 290 633 39 GLY HA3 H 3.815 0.01 2 291 633 39 GLY C C 175.024 0.002 1 292 633 39 GLY CA C 44.98 0.018 1 293 633 39 GLY N N 105.9 0.0274 1 294 634 40 CYS H H 7.897 0.021 1 295 634 40 CYS HA H 4.552 0.019 1 296 634 40 CYS HB2 H 2.968 0.031 2 297 634 40 CYS HB3 H 2.214 0.021 2 298 634 40 CYS C C 173.839 0.007 1 299 634 40 CYS CA C 59.692 0.129 1 300 634 40 CYS CB C 28.322 0.038 1 301 634 40 CYS N N 119.495 0.045 1 302 635 41 GLU H H 8.712 0.014 1 303 635 41 GLU HA H 4.596 0.004 1 304 635 41 GLU HB2 H 1.974 0.014 2 305 635 41 GLU HB3 H 1.916 0.112 2 306 635 41 GLU HG2 H 2.243 0.02 2 307 635 41 GLU HG3 H 2.085 0.178 2 308 635 41 GLU C C 175.995 0.022 1 309 635 41 GLU CA C 55.532 0.044 1 310 635 41 GLU CB C 30.555 0.048 1 311 635 41 GLU CG C 35.934 0 1 312 635 41 GLU N N 123.618 0.03 1 313 636 42 VAL H H 8.909 0.018 1 314 636 42 VAL HA H 4.653 0.022 1 315 636 42 VAL HB H 1.847 0.014 1 316 636 42 VAL HG1 H 0.808 0.025 2 317 636 42 VAL HG2 H 0.766 0.019 2 318 636 42 VAL C C 176.016 0.031 1 319 636 42 VAL CA C 62.04 0.039 1 320 636 42 VAL CB C 34.165 0.073 1 321 636 42 VAL CG1 C 23.099 0.002 2 322 636 42 VAL CG2 C 21.093 0.002 2 323 636 42 VAL N N 127.637 0.024 1 324 637 43 THR H H 8.863 0.015 1 325 637 43 THR HA H 4.7 0.013 1 326 637 43 THR HB H 3.832 0.024 1 327 637 43 THR HG2 H 1.197 0.023 1 328 637 43 THR C C 173.517 0.004 1 329 637 43 THR CA C 61.83 0.135 1 330 637 43 THR CB C 70.547 0.114 1 331 637 43 THR CG2 C 21.439 0.045 1 332 637 43 THR N N 126.502 0.032 1 333 638 44 THR H H 8.972 0.016 1 334 638 44 THR HA H 5.404 0.027 1 335 638 44 THR HB H 4.043 0.01 1 336 638 44 THR HG2 H 1.068 0.019 1 337 638 44 THR C C 172.94 0.005 1 338 638 44 THR CA C 59.21 0.078 1 339 638 44 THR CB C 70.616 0.148 1 340 638 44 THR CG2 C 22.13 0.032 1 341 638 44 THR N N 117.597 0.02 1 342 639 45 VAL H H 8.847 0.016 1 343 639 45 VAL HA H 4.764 0.008 1 344 639 45 VAL HB H 2.198 0.014 1 345 639 45 VAL HG1 H 0.852 0.008 2 346 639 45 VAL HG2 H 0.764 0.013 2 347 639 45 VAL C C 175.352 0.045 1 348 639 45 VAL CA C 59.412 0.06 1 349 639 45 VAL CB C 36.134 0.024 1 350 639 45 VAL CG1 C 23.28 0.001 2 351 639 45 VAL CG2 C 18.851 0.001 2 352 639 45 VAL N N 113.654 0.039 1 353 640 46 SER H H 8.577 0.014 1 354 640 46 SER HA H 4.722 0.01 1 355 640 46 SER HB2 H 4.081 0.02 2 356 640 46 SER HB3 H 3.698 0.008 2 357 640 46 SER C C 174.122 0 1 358 640 46 SER CA C 56.761 0.016 1 359 640 46 SER CB C 67.206 0.05 1 360 640 46 SER N N 112.137 0.032 1 361 641 47 SER H H 7.317 0.019 1 362 641 47 SER HA H 4.812 0.029 1 363 641 47 SER HB2 H 4.285 0.015 2 364 641 47 SER HB3 H 4.006 0.003 2 365 641 47 SER C C 174.122 0 1 366 641 47 SER CA C 56.761 0.016 1 367 641 47 SER CB C 67.206 0.05 1 368 641 47 SER N N 111.326 0.019 1 369 642 48 ASN H H 9.404 0.014 1 370 642 48 ASN HA H 4.367 0 1 371 642 48 ASN HB2 H 2.797 0.008 2 372 642 48 ASN HB3 H 2.606 0.01 2 373 642 48 ASN HD21 H 7.4 0.032 2 374 642 48 ASN HD22 H 6.853 0.036 2 375 642 48 ASN C C 177.17 0.01 1 376 642 48 ASN CA C 56.331 0.05 1 377 642 48 ASN CB C 38.091 0.065 1 378 642 48 ASN N N 122.505 0.046 1 379 642 48 ASN ND2 N 110.1 0.0183 1 380 643 49 GLU H H 8.806 0.013 1 381 643 49 GLU HA H 3.947 0.017 1 382 643 49 GLU HB2 H 2.057 0.003 2 383 643 49 GLU HB3 H 1.975 0.024 2 384 643 49 GLU HG2 H 2.394 0.017 2 385 643 49 GLU HG3 H 2.358 0.004 2 386 643 49 GLU C C 179.346 0.002 1 387 643 49 GLU CA C 60.026 0.012 1 388 643 49 GLU CB C 28.748 0.026 1 389 643 49 GLU CG C 36.421 0.004 1 390 643 49 GLU N N 119.421 0.048 1 391 644 50 GLU H H 7.851 0.015 1 392 644 50 GLU HA H 3.969 0.02 1 393 644 50 GLU HB2 H 2.081 0.01 2 394 644 50 GLU HB3 H 2.026 0.005 2 395 644 50 GLU HG2 H 2.366 0.007 2 396 644 50 GLU HG3 H 2.416 0.000 2 397 644 50 GLU C C 177.593 0.008 1 398 644 50 GLU CA C 59.091 0.033 1 399 644 50 GLU CB C 30.499 0.042 1 400 644 50 GLU CG C 36.440 0.019 1 401 644 50 GLU N N 120.731 0.026 1 402 645 51 CYS H H 8.388 0.014 1 403 645 51 CYS HA H 3.712 0.012 1 404 645 51 CYS HB2 H 3.29 0.026 2 405 645 51 CYS HB3 H 2.912 0.007 2 406 645 51 CYS C C 175.22 0.011 1 407 645 51 CYS CA C 62.953 0.06 1 408 645 51 CYS CB C 26.774 0.08 1 409 645 51 CYS N N 118.128 0.021 1 410 646 52 LEU H H 7.908 0.017 1 411 646 52 LEU HA H 3.98 0.003 1 412 646 52 LEU HB2 H 1.725 0.009 2 413 646 52 LEU HB3 H 1.58 0.017 2 414 672 52 LEU HG H 1.600 0.009 1 415 646 52 LEU HD1 H 0.939 0.005 2 416 646 52 LEU HD2 H 0.827 0.016 2 417 646 52 LEU C C 177.458 0.01 1 418 646 52 LEU CA C 56.935 0.058 1 419 646 52 LEU CB C 41.527 0.023 1 420 646 52 LEU CG C 26.970 0.041 1 421 646 52 LEU CD1 C 24.250 0.079 2 422 646 52 LEU CD2 C 24.250 0.079 2 423 646 52 LEU N N 116.138 0.017 1 424 647 53 ARG H H 7.547 0.013 1 425 647 53 ARG HA H 4.131 0.015 1 426 647 53 ARG HB2 H 1.637 0.001 2 427 647 53 ARG HB3 H 1.637 0.001 2 428 647 53 ARG HG2 H 1.949 0.016 2 429 647 53 ARG HG3 H 1.949 0.016 2 430 647 53 ARG HD2 H 3.267 0.023 2 431 647 53 ARG HD3 H 3.267 0.023 2 432 647 53 ARG C C 178.084 0.014 1 433 647 53 ARG CA C 58.983 0.055 1 434 647 53 ARG CB C 31.076 0.046 1 435 647 53 ARG CG C 27.372 0.031 1 436 647 53 ARG CD C 43.468 0.017 1 437 647 53 ARG N N 117.652 0.028 1 438 648 54 VAL H H 8.089 0.014 1 439 648 54 VAL HA H 3.919 0.01 1 440 648 54 VAL HB H 2.01 0.017 1 441 648 54 VAL HG1 H 1.014 0.021 2 442 648 54 VAL HG2 H 0.905 0.001 2 443 648 54 VAL C C 177.202 0.031 1 444 648 54 VAL CA C 63.954 0.084 1 445 648 54 VAL CB C 33.454 0.027 1 446 648 54 VAL CG1 C 22.782 0.148 2 447 648 54 VAL CG2 C 21.647 0.003 2 448 648 54 VAL N N 116.541 0.071 1 449 649 55 VAL H H 8.182 0.013 1 450 649 55 VAL HA H 4.341 0.005 1 451 649 55 VAL HB H 2.28 0.015 1 452 649 55 VAL HG1 H 1.176 0.025 2 453 649 55 VAL HG2 H 1.227 0.016 2 454 649 55 VAL C C 173.645 0.001 1 455 649 55 VAL CA C 62.621 0.052 1 456 649 55 VAL CB C 30.627 0.033 1 457 649 55 VAL CG1 C 22.831 0.001 2 458 649 55 VAL CG2 C 20.868 0.099 2 459 649 55 VAL N N 120.306 0.047 1 460 650 56 SER H H 10.857 0.02 1 461 650 56 SER HA H 5.279 0.011 1 462 650 56 SER HB2 H 4.128 0.011 2 463 650 56 SER HB3 H 3.77 0.036 2 464 650 56 SER C C 174.769 0.027 1 465 650 56 SER CA C 56.535 0.086 1 466 650 56 SER CB C 66.528 0.075 1 467 650 56 SER N N 127.737 0.04 1 468 651 57 HIS H H 8.689 0.022 1 469 651 57 HIS HA H 4.381 0.013 1 470 651 57 HIS HB2 H 3.255 0.008 2 471 651 57 HIS HB3 H 2.888 0.012 2 472 651 57 HIS HD2 H 6.94 0 1 473 651 57 HIS C C 175.32 0.061 1 474 651 57 HIS CA C 57.581 0.054 1 475 651 57 HIS CB C 29.268 0.042 1 476 651 57 HIS N N 117.907 0.064 1 477 652 58 GLU H H 8.027 0.017 1 478 652 58 GLU HA H 3.844 0.009 1 479 652 58 GLU HB2 H 1.713 0.032 2 480 652 58 GLU HB3 H 1.215 0.027 2 481 652 58 GLU HG2 H 1.736 0.003 2 482 652 58 GLU HG3 H 1.736 0.003 2 483 652 58 GLU C C 177.225 0.003 1 484 652 58 GLU CA C 57.394 0.032 1 485 652 58 GLU CB C 29.765 0.121 1 486 652 58 GLU CG C 35.951 0.002 1 487 652 58 GLU N N 117.785 0.03 1 488 653 59 HIS H H 7.342 0.012 1 489 653 59 HIS HA H 4.125 0.008 1 490 653 59 HIS HB2 H 3.26 0.007 2 491 653 59 HIS HB3 H 2.633 0.008 2 492 653 59 HIS HD2 H 6.665 0.016 1 493 653 59 HIS C C 174.642 0.004 1 494 653 59 HIS CA C 58.484 0.022 1 495 653 59 HIS CB C 30.791 0.104 1 496 653 59 HIS CD2 C 134.935 0 1 497 653 59 HIS N N 117.615 0.019 1 498 654 60 LYS H H 8.682 0.013 1 499 654 60 LYS HA H 4.346 0.013 1 500 654 60 LYS HB2 H 1.918 0.037 2 501 654 60 LYS HB3 H 1.804 0.035 2 502 654 60 LYS HG2 H 1.683 0.013 2 503 654 60 LYS HG3 H 1.477 0.062 2 504 654 60 LYS HD2 H 1.701 0.018 2 505 654 60 LYS HD3 H 1.503 0.003 2 506 654 60 LYS HE2 H 3.224 0.006 2 507 654 60 LYS HE3 H 3.03 0.005 2 508 654 60 LYS C C 177.777 0.008 1 509 654 60 LYS CA C 55.971 0.017 1 510 654 60 LYS CB C 32.983 0.017 1 511 654 60 LYS CG C 24.53 0.001 1 512 654 60 LYS CD C 27.53 0.001 1 513 654 60 LYS CE C 41.988 0.004 1 514 654 60 LYS N N 121.292 0.036 1 515 655 61 VAL H H 7.275 0.014 1 516 655 61 VAL HA H 4.751 0.021 1 517 655 61 VAL HB H 1.645 0.015 1 518 655 61 VAL HG1 H 0.708 0.015 2 519 655 61 VAL HG2 H 0.194 0.017 2 520 655 61 VAL C C 173.492 0.02 1 521 655 61 VAL CA C 59.998 0.004 1 522 655 61 VAL CB C 36.249 0.029 1 523 655 61 VAL CG1 C 21.543 0.121 2 524 655 61 VAL CG2 C 21.464 0.098 2 525 655 61 VAL N N 114.896 0.033 1 526 656 62 VAL H H 9.073 0.015 1 527 656 62 VAL HA H 4.948 0.021 1 528 656 62 VAL HB H 2.05 0.012 1 529 656 62 VAL HG1 H 0.644 0.012 2 530 656 62 VAL HG2 H 0.681 0.015 2 531 656 62 VAL C C 174.283 0.013 1 532 656 62 VAL CA C 60.191 0.029 1 533 656 62 VAL CB C 33.704 0.071 1 534 656 62 VAL CG1 C 20.34 0.05 2 535 656 62 VAL CG2 C 20.34 0.05 2 536 656 62 VAL N N 127.032 0.03 1 537 657 63 PHE H H 9.357 0.024 1 538 657 63 PHE HA H 5.353 0.048 1 539 657 63 PHE HB2 H 2.866 0.007 2 540 657 63 PHE HB3 H 2.866 0.007 2 541 657 63 PHE HD1 H 6.921 0.025 3 542 657 63 PHE HD2 H 6.921 0.025 3 543 657 63 PHE C C 174.995 0 1 544 657 63 PHE CA C 56.229 0.237 1 545 657 63 PHE CB C 40.709 0.076 1 546 657 63 PHE N N 125.928 0.049 1 547 658 64 MET H H 9.05 0.016 1 548 658 64 MET HA H 5.225 0.035 1 549 658 64 MET HB2 H 1.906 0.012 2 550 658 64 MET HB3 H 1.906 0.012 2 551 658 64 MET HG2 H 2.351 0.008 2 552 658 64 MET HG3 H 2.351 0.008 2 553 658 64 MET C C 173.558 0.025 1 554 658 64 MET CA C 53.689 0.029 1 555 658 64 MET CB C 35.644 0.062 1 556 658 64 MET CG C 30.94 0.005 1 557 658 64 MET N N 119.903 0.048 1 558 659 65 ASP H H 8.384 0.014 1 559 659 65 ASP HA H 5.105 0.046 1 560 659 65 ASP HB2 H 2.966 0.028 2 561 659 65 ASP HB3 H 2.504 0.001 2 562 659 65 ASP C C 176.078 0 1 563 659 65 ASP CA C 54.487 0.091 1 564 659 65 ASP CB C 42.433 0.057 1 565 659 65 ASP N N 125.988 0.046 1 566 660 66 VAL H H 8.35 0.016 1 567 660 66 VAL HA H 3.901 0 1 568 660 66 VAL HB H 1.86 0.023 1 569 660 66 VAL HG1 H 0.842 0.014 2 570 660 66 VAL HG2 H 0.636 0.003 2 571 660 66 VAL C C 176.159 0.013 1 572 660 66 VAL CA C 60.976 0.041 1 573 660 66 VAL CB C 30.307 0.017 1 574 660 66 VAL CG1 C 22.656 0.034 2 575 660 66 VAL N N 120.39 0.103 1 576 661 67 CYS H H 8.29 0.024 1 577 661 67 CYS HA H 3.991 0.004 1 578 661 67 CYS HB2 H 3.596 0.0035 2 579 661 67 CYS HB3 H 3.347 0.007 2 580 661 67 CYS C C 178.86 0.062 1 581 661 67 CYS CA C 61.048 0.076 1 582 661 67 CYS CB C 31.9 0.035 1 583 661 67 CYS N N 119.016 0.073 1 584 663 69 PRO HA H 4.426 0.002 1 585 663 69 PRO HB2 H 2.272 0.009 2 586 663 69 PRO HB3 H 1.967 0.008 2 587 663 69 PRO C C 177.477 0 1 588 663 69 PRO CA C 63.863 0.004 1 589 663 69 PRO CB C 31.818 0 1 590 663 69 PRO CG C 27.355 0 1 591 663 69 PRO CD C 50.545 0 1 592 664 70 GLY H H 8.379 0.016 1 593 664 70 GLY HA2 H 4.150 0.002 2 594 664 70 GLY HA3 H 3.881 0.011 2 595 664 70 GLY C C 174.547 0.023 1 596 664 70 GLY CA C 45.425 0.024 1 597 664 70 GLY N N 110.218 0.034 1 598 665 71 VAL H H 8.117 0.016 1 599 665 71 VAL HA H 4.214 0.018 1 600 665 71 VAL HB H 2.13 0.017 1 601 665 71 VAL HG1 H 0.965 0.019 2 602 665 71 VAL HG2 H 0.965 0.019 2 603 665 71 VAL C C 176.306 0.001 1 604 665 71 VAL CA C 62.726 0.046 1 605 665 71 VAL CB C 32.85 0.022 1 606 665 71 VAL CG1 C 20.64 0.001 2 607 665 71 VAL CG2 C 20.64 0.001 2 608 665 71 VAL N N 119 0.078 1 609 666 72 GLU H H 8.766 0.014 1 610 666 72 GLU HA H 4.176 0.011 1 611 666 72 GLU HB2 H 1.944 0.007 2 612 666 72 GLU HB3 H 2.151 0.007 2 613 666 72 GLU HG2 H 2.277 0.005 2 614 666 72 GLU HG3 H 2.309 0.023 2 615 666 72 GLU C C 177.003 0.006 1 616 666 72 GLU CA C 57.962 0.011 1 617 666 72 GLU CB C 29.925 0.224 1 618 666 72 GLU CG C 36.481 0.001 1 619 666 72 GLU N N 123.425 0.068 1 620 667 73 ASN H H 8.177 0.014 1 621 667 73 ASN HA H 4.601 0.022 1 622 667 73 ASN HB2 H 2.769 0.013 2 623 667 73 ASN HB3 H 2.564 0.003 2 624 667 73 ASN HD21 H 7.531 0.0057 2 625 667 73 ASN HD22 H 7.055 0.0043 2 626 667 73 ASN C C 174.916 0 1 627 667 73 ASN CA C 54.006 0.06 1 628 667 73 ASN CB C 39.401 0.036 1 629 667 73 ASN N N 118.658 0.06 1 630 667 73 ASN ND2 N 112.6 0.0321 1 631 668 74 TYR H H 7.409 0.009 1 632 668 74 TYR HA H 3.998 0.013 1 633 668 74 TYR HB2 H 2.568 0.009 2 634 668 74 TYR HB3 H 2.105 0.004 2 635 668 74 TYR HD1 H 6.791 0.029 3 636 668 74 TYR HD2 H 6.791 0.029 3 637 668 74 TYR HE1 H 6.746 0 3 638 668 74 TYR C C 176.832 0.025 1 639 668 74 TYR CA C 59.039 0.074 1 640 668 74 TYR CB C 37.584 0.094 1 641 669 75 GLN H H 7.979 0.015 1 642 669 75 GLN HA H 4.041 0.006 1 643 669 75 GLN HB2 H 2.185 0.014 2 644 669 75 GLN HB3 H 2.065 0.005 2 645 669 75 GLN HG2 H 2.493 0.015 2 646 669 75 GLN HG3 H 2.493 0.015 2 647 669 75 GLN HE21 H 7.443 0.0014 2 648 669 75 GLN HE22 H 6.929 0.0009 2 649 669 75 GLN C C 177.935 0 1 650 669 75 GLN CA C 59.123 0.075 1 651 669 75 GLN CB C 28.073 0.025 1 652 669 75 GLN CG C 34 0.056 1 653 669 75 GLN N N 119.427 0.063 1 654 669 75 GLN NE2 N 111.8 0.0816 1 655 670 76 ILE H H 8.075 0.015 1 656 670 76 ILE HA H 4.062 0.017 1 657 670 76 ILE HB H 1.964 0.024 1 658 670 76 ILE HG12 H 1.323 0.191 2 659 670 76 ILE HG13 H 1.353 0.007 2 660 670 76 ILE HG2 H 1.001 0.014 1 661 670 76 ILE HD1 H 0.936 0.019 1 662 670 76 ILE C C 176.206 0 1 663 670 76 ILE CA C 61.504 0.011 1 664 670 76 ILE CB C 37.111 0.081 1 665 670 76 ILE CG1 C 29.877 0 1 666 670 76 ILE CG2 C 18.391 0.02 1 667 670 76 ILE CD1 C 14.062 0.032 1 668 670 76 ILE N N 117.442 0.05 1 669 671 77 ALA H H 7.707 0.015 1 670 671 77 ALA HA H 4.016 0.008 1 671 671 77 ALA HB H 1.656 0.022 1 672 671 77 ALA C C 179.799 0.011 1 673 671 77 ALA CA C 55.951 0.065 1 674 671 77 ALA CB C 18.776 0.047 1 675 671 77 ALA N N 123.771 0.025 1 676 672 78 LEU H H 7.4 0.016 1 677 672 78 LEU HA H 4.117 0.02 1 678 672 78 LEU HB2 H 2.034 0.016 2 679 672 78 LEU HB3 H 1.69 0.009 2 680 672 78 LEU HG H 0.671 0.009 1 681 672 78 LEU HD1 H 0.775 0.005 2 682 672 78 LEU HD2 H 0.775 0.005 2 683 672 78 LEU C C 180.324 0 1 684 672 78 LEU CA C 57.904 0.049 1 685 672 78 LEU CB C 41.36 0.035 1 686 672 78 LEU CG C 25.063 0.033 1 687 672 78 LEU CD1 C 22.620 0.02 2 688 672 78 LEU CD2 C 22.620 0.02 2 689 672 78 LEU N N 117.8 0.021 1 690 673 79 ARG H H 7.991 0.016 1 691 673 79 ARG HA H 4.255 0.01 1 692 673 79 ARG HB2 H 2.079 0.012 2 693 673 79 ARG HG2 H 1.865 0.023 2 694 673 79 ARG HD2 H 2.834 0 2 695 673 79 ARG C C 180.13 0 1 696 673 79 ARG CA C 58.816 0.012 1 697 673 79 ARG CB C 30.624 0.046 1 698 673 79 ARG CG C 26.975 0 1 699 673 79 ARG CD C 43.602 0 1 700 673 79 ARG N N 118.58 0.061 1 701 674 80 ILE H H 8.463 0.015 1 702 674 80 ILE HA H 3.723 0.011 1 703 674 80 ILE HB H 2.208 0.022 1 704 674 80 ILE HG12 H 1.084 0.007 2 705 674 80 ILE HG13 H 0.877 0.029 2 706 674 80 ILE HG2 H 0.805 0.014 1 707 674 80 ILE C C 177.95 0.023 1 708 674 80 ILE CA C 66.712 0.021 1 709 674 80 ILE CB C 37.39 0.081 1 710 674 80 ILE CG1 C 30.25 0.001 1 711 674 80 ILE CG2 C 17.951 0.001 1 712 674 80 ILE N N 122.109 0.039 1 713 675 81 HIS H H 8.403 0.013 1 714 675 81 HIS HA H 4.240 0.033 1 715 675 81 HIS HD2 H 7.254 0.088 1 716 675 81 HIS C C 178.772 0 1 717 675 81 HIS CA C 60.921 0.060 1 718 675 81 HIS CB C 30.251 0.093 1 719 675 81 HIS CD2 C 130.367 0 1 720 675 81 HIS N N 119.07 0.029 1 721 676 82 GLU H H 8.314 0.012 1 722 676 82 GLU HA H 4.033 0.01 1 723 676 82 GLU HB2 H 2.078 0.003 2 724 676 82 GLU HB3 H 2.156 0.006 2 725 676 82 GLU HG2 H 2.34 0.006 2 726 676 82 GLU HG3 H 2.298 0.001 2 727 676 82 GLU C C 179.399 0 1 728 676 82 GLU CA C 59.583 0.076 1 729 676 82 GLU CB C 29.349 0.022 1 730 676 82 GLU CG C 36.591 0.002 1 731 677 83 LYS H H 8.043 0.016 1 732 677 83 LYS HA H 3.961 0.022 1 733 677 83 LYS HB2 H 1.884 0.013 2 734 677 83 LYS HB3 H 1.727 0.002 2 735 677 83 LYS HG2 H 1.547 0.049 2 736 677 83 LYS HG3 H 1.364 0.011 2 737 677 83 LYS HE2 H 2.986 0.058 2 738 677 83 LYS HE3 H 2.986 0.058 2 739 677 83 LYS C C 178.676 0.158 1 740 677 83 LYS CA C 59.665 0.099 1 741 677 83 LYS CB C 32.514 0.122 1 742 677 83 LYS CG C 25.45 0.001 1 743 677 83 LYS N N 120.793 0.047 1 744 678 84 PHE H H 7.711 0.016 1 745 678 84 PHE HA H 4.215 0.001 1 746 678 84 PHE HB2 H 3.559 0.017 2 747 678 84 PHE HB3 H 2.815 0.011 2 748 678 84 PHE HD1 H 7.583 0.085 3 749 678 84 PHE HD2 H 7.583 0.085 3 750 678 84 PHE HE1 H 6.982 0 3 751 678 84 PHE HE2 H 6.982 0 3 752 678 84 PHE C C 177.452 0 1 753 678 84 PHE CA C 62.179 0.019 1 754 678 84 PHE CB C 38.44 0.099 1 755 678 84 PHE N N 115.042 0.026 1 756 679 85 THR H H 8.285 0.015 1 757 679 85 THR HA H 4.228 0.011 1 758 679 85 THR HB H 4.342 0.017 1 759 679 85 THR HG2 H 1.328 0.015 1 760 679 85 THR C C 177.325 0 1 761 679 85 THR CA C 66.565 0.136 1 762 679 85 THR CB C 68.949 0.041 1 763 679 85 THR CG2 C 21.776 0.012 1 764 679 85 THR N N 117.937 0.058 1 765 680 86 LYS H H 8.157 0.013 1 766 680 86 LYS HA H 4.185 0.003 1 767 680 86 LYS HB2 H 1.939 0.008 2 768 680 86 LYS HB3 H 1.939 0.008 2 769 680 86 LYS HG2 H 1.514 0.005 2 770 680 86 LYS HG3 H 1.514 0.005 2 771 680 86 LYS HD3 H 1.435 0.166 2 772 680 86 LYS HE2 H 3.023 0.002 2 773 680 86 LYS HE3 H 2.849 0.008 2 774 680 86 LYS C C 177.721 0 1 775 680 86 LYS CA C 58.752 0.116 1 776 680 86 LYS CB C 32.05 0.048 1 777 680 86 LYS CG C 25.470 0.087 1 778 680 86 LYS CD C 29.320 0.061 1 779 680 86 LYS CE C 42.110 0.059 1 780 680 86 LYS N N 121.092 0.033 1 781 681 87 GLN H H 7.589 0.016 1 782 681 87 GLN HA H 4.315 0.013 1 783 681 87 GLN HB2 H 2.141 0.013 2 784 681 87 GLN HB3 H 1.966 0.016 2 785 681 87 GLN HG2 H 2.406 0.018 2 786 681 87 GLN HG3 H 2.285 0.007 2 787 681 87 GLN HE21 H 7.625 0.001 2 788 681 87 GLN HE22 H 6.865 0.001 2 789 681 87 GLN C C 175.199 0.034 1 790 681 87 GLN CA C 55.703 0.007 1 791 681 87 GLN CB C 29.278 0.079 1 792 681 87 GLN CG C 33.995 0 1 793 681 87 GLN N N 115.797 0.032 1 794 681 87 GLN NE2 N 113 0.0318 1 795 682 88 ARG H H 8.027 0.015 1 796 682 88 ARG HA H 4.012 0.017 1 797 682 88 ARG HB2 H 1.897 0 2 798 682 88 ARG HB3 H 1.603 0.013 2 799 682 88 ARG C C 175.882 0 1 800 682 88 ARG CA C 57.32 0.038 1 801 682 88 ARG CB C 27.431 0.02 1 802 682 88 ARG CG C 26.94 0 1 803 682 88 ARG CD C 43.428 0 1 804 682 88 ARG N N 116.902 0.067 1 805 683 89 HIS H H 7.984 0.013 1 806 683 89 HIS HA H 4.886 0.056 1 807 683 89 HIS HB2 H 3.235 0.009 2 808 683 89 HIS HB3 H 2.979 0.021 2 809 683 89 HIS HD2 H 7.105 0.011 1 810 683 89 HIS C C 174.43 0.048 1 811 683 89 HIS CA C 54.492 0.017 1 812 683 89 HIS CB C 33.043 0.196 1 813 683 89 HIS CD2 C 130.367 0 1 814 683 89 HIS N N 115.459 0.022 1 815 684 90 GLN H H 8.536 0.015 1 816 684 90 GLN HA H 4.218 0.006 1 817 684 90 GLN HB2 H 2.058 0.01 2 818 684 90 GLN HB3 H 1.999 0.019 2 819 684 90 GLN HG2 H 2.409 0.015 2 820 684 90 GLN HG3 H 2.367 0.004 2 821 684 90 GLN HE21 H 7.273 0.021 2 822 684 90 GLN HE22 H 6.698 0.001 2 823 684 90 GLN C C 175.231 0.002 1 824 684 90 GLN CA C 56.087 0.053 1 825 684 90 GLN CB C 28.86 0.114 1 826 684 90 GLN CG C 33.589 0.002 1 827 684 90 GLN N N 121.697 0.032 1 828 684 90 GLN NE2 N 110 0.0016 1 829 685 91 ARG H H 8.076 0.016 1 830 685 91 ARG C C 173.057 0 1 831 685 91 ARG CA C 53.586 0 1 832 685 91 ARG CB C 28.836 0 1 833 685 91 ARG N N 123.574 0.04 1 834 686 92 PRO HA H 4.238 0.001 1 835 686 92 PRO HB2 H 2.037 0.008 2 836 686 92 PRO HB3 H 1.304 0.017 2 837 686 92 PRO C C 175.504 0 1 838 686 92 PRO CA C 62.153 0.028 1 839 686 92 PRO CB C 31.869 0.127 1 840 686 92 PRO CG C 26.777 0 1 841 686 92 PRO CD C 50 0 1 842 687 93 LEU H H 7.441 0.015 1 843 687 93 LEU HA H 4.295 0.011 1 844 687 93 LEU HB2 H 1.779 0.007 2 845 687 93 LEU HB3 H 1.073 0.019 2 846 687 93 LEU HG H 1.699 0.002 1 847 687 93 LEU HD1 H 0.789 0.001 2 848 687 93 LEU HD2 H 0.789 0.001 2 849 687 93 LEU C C 176.171 0 1 850 687 93 LEU CA C 54.752 0.011 1 851 687 93 LEU CB C 43.471 0.065 1 852 687 93 LEU CG C 26.291 0.069 1 853 687 93 LEU CD1 C 23.3 0.088 2 854 687 93 LEU CD2 C 23.3 0.088 2 855 687 93 LEU N N 120.071 0.034 1 856 688 94 LEU H H 10.106 0.178 1 857 688 94 LEU HA H 4.949 0.006 1 858 688 94 LEU HB2 H 2.09 0.005 2 859 688 94 LEU HB3 H 1.261 0.004 2 860 688 94 LEU C C 175.552 0.019 1 861 688 94 LEU CA C 53.754 0.002 1 862 688 94 LEU CB C 44.546 0.007 1 863 688 94 LEU CG C 26.751 0 1 864 688 94 LEU N N 123.636 0.045 1 865 689 95 VAL H H 8.932 0.016 1 866 689 95 VAL HA H 4.542 0.019 1 867 689 95 VAL HB H 1.378 0.017 1 868 689 95 VAL HG1 H 0.662 0.018 2 869 689 95 VAL HG2 H 0.265 0.02 2 870 689 95 VAL C C 174.505 0.015 1 871 689 95 VAL CA C 60.189 0.045 1 872 689 95 VAL CB C 34.329 0.03 1 873 689 95 VAL CG1 C 21.319 0.001 2 874 689 95 VAL CG2 C 21.454 0 2 875 689 95 VAL N N 124.246 0.043 1 876 690 96 ALA H H 8.182 0.016 1 877 690 96 ALA HA H 5.219 0.008 1 878 690 96 ALA HB H 1.407 0.019 1 879 690 96 ALA C C 175.837 0.009 1 880 690 96 ALA CA C 50.464 0.055 1 881 690 96 ALA CB C 21.254 0.064 1 882 690 96 ALA N N 128.789 0.032 1 883 691 97 LEU H H 8.61 0.018 1 884 691 97 LEU HA H 5.152 0.003 1 885 691 97 LEU HB2 H 1.807 0.005 2 886 691 97 LEU HB3 H 1.285 0.026 2 887 712 97 LEU HG H 1.65 0.001 1 888 712 97 LEU HD1 H 0.86 0.001 2 889 712 97 LEU HD2 H 0.86 0.001 2 890 691 97 LEU C C 175.612 0.096 1 891 691 97 LEU CA C 54.25 0.032 1 892 691 97 LEU CB C 42.111 0.011 1 893 691 97 LEU CG C 28.64 0.013 1 894 691 97 LEU CD1 C 25.750 0.121 2 895 691 97 LEU CD2 C 25.750 0.121 2 896 691 97 LEU N N 123.032 0.035 1 897 692 98 SER H H 8.627 0.017 1 898 692 98 SER HA H 4.892 0.001 1 899 692 98 SER HB2 H 3.526 0.011 2 900 692 98 SER HB3 H 3.526 0.011 2 901 692 98 SER C C 174.163 0.007 1 902 692 98 SER CA C 56.296 0 1 903 692 98 SER CB C 65.944 0.024 1 904 692 98 SER N N 115.099 0.031 1 905 693 99 GLY H H 8.824 0.021 1 906 693 99 GLY HA2 H 4.473 0.012 2 907 693 99 GLY HA3 H 3.829 0.009 2 908 693 99 GLY C C 173.478 0.034 1 909 693 99 GLY CA C 45.451 0.048 1 910 693 99 GLY N N 113.98 0.054 1 911 694 100 ASN H H 8.13 0.015 1 912 694 100 ASN HA H 4.811 0.032 1 913 694 100 ASN HB2 H 2.866 0.009 2 914 694 100 ASN HB3 H 2.794 0.006 2 915 694 100 ASN HD21 H 7.693 0.0025 2 916 694 100 ASN HD22 H 6.961 0.0019 2 917 694 100 ASN C C 174.956 0.002 1 918 694 100 ASN CA C 53.188 0.029 1 919 694 100 ASN CB C 40.306 0.024 1 920 694 100 ASN N N 117.682 0.027 1 921 694 100 ASN ND2 N 113.609 0.032 1 922 695 101 THR H H 8.497 0.016 1 923 695 101 THR HA H 4.403 0.016 1 924 695 101 THR HB H 4.488 0.01 1 925 695 101 THR HG2 H 1.121 0.006 1 926 695 101 THR C C 174.032 0.025 1 927 695 101 THR CA C 60.912 0.006 1 928 695 101 THR CB C 68.848 0.046 1 929 695 101 THR CG2 C 21.910 0.086 1 930 695 101 THR N N 113.713 0.028 1 931 696 102 ASP H H 8.229 0.015 1 932 696 102 ASP HA H 4.575 0.018 1 933 696 102 ASP HB2 H 2.836 0.027 2 934 696 102 ASP HB3 H 2.863 0.019 2 935 696 102 ASP C C 176.51 0.011 1 936 696 102 ASP CA C 54.382 0.058 1 937 696 102 ASP CB C 41.397 0.037 1 938 696 102 ASP N N 121.753 0.028 1 939 697 103 LYS H H 8.444 0.017 1 940 697 103 LYS HA H 4.173 0.012 1 941 697 103 LYS HB2 H 1.874 0.018 2 942 697 103 LYS HG2 H 1.496 0.021 2 943 697 103 LYS HD2 H 1.616 0.003 2 944 697 103 LYS HE2 H 3.039 0.004 2 945 697 103 LYS C C 177.716 0.043 1 946 697 103 LYS CA C 58.589 0.052 1 947 697 103 LYS CB C 32.857 0.063 1 948 697 103 LYS CG C 24.891 0.001 1 949 697 103 LYS CD C 29.156 0.016 1 950 697 103 LYS CE C 42.116 0 1 951 697 103 LYS N N 121.351 0.044 1 952 698 104 SER H H 8.521 0.014 1 953 698 104 SER HA H 4.469 0.016 1 954 698 104 SER HB2 H 4.022 0.002 2 955 698 104 SER C C 176.086 0.015 1 956 698 104 SER CA C 60.014 0.019 1 957 698 104 SER CB C 63.462 0.022 1 958 698 104 SER N N 115.215 0.063 1 959 699 105 THR H H 8.04 0.016 1 960 699 105 THR HA H 4.273 0.014 1 961 699 105 THR HB H 3.973 0.003 1 962 699 105 THR HG2 H 1.257 0.015 1 963 699 105 THR C C 176.127 0.03 1 964 699 105 THR CA C 66.069 0.014 1 965 699 105 THR CB C 68.719 0.178 1 966 699 105 THR CG2 C 21.994 0 1 967 699 105 THR N N 119.235 0.061 1 968 700 106 LYS H H 8.371 0.017 1 969 700 106 LYS HA H 3.848 0.014 1 970 700 106 LYS HB2 H 1.971 0.003 2 971 700 106 LYS HB3 H 1.971 0.003 2 972 700 106 LYS C C 178.609 0 1 973 700 106 LYS CA C 60.614 0.031 1 974 700 106 LYS CB C 31.097 0.039 1 975 700 106 LYS N N 122.289 0.036 1 976 701 107 GLU H H 8.265 0.026 1 977 701 107 GLU HA H 4.096 0.008 1 978 701 107 GLU HB2 H 2.289 0.001 2 979 701 107 GLU HB3 H 2.127 0.013 2 980 701 107 GLU HG2 H 2.378 0.022 2 981 701 107 GLU HG3 H 2.378 0.022 2 982 701 107 GLU C C 176.444 0 1 983 701 107 GLU CA C 59.495 0.055 1 984 701 107 GLU CB C 29.395 0.026 1 985 701 107 GLU CG C 36.112 0 1 986 701 107 GLU N N 118.791 0.047 1 987 702 108 LYS H H 8.004 0.02 1 988 702 108 LYS HA H 4.037 0.008 1 989 702 108 LYS HB2 H 1.901 0.002 2 990 702 108 LYS HB3 H 1.644 0.001 2 991 702 108 LYS C C 179.026 0.021 1 992 702 108 LYS CA C 59.342 0.065 1 993 702 108 LYS CB C 32.154 0.037 1 994 702 108 LYS CG C 25.357 0 1 995 702 108 LYS N N 120.748 0.034 1 996 703 109 CYS H H 8.344 0.017 1 997 703 109 CYS HA H 4.091 0.009 1 998 703 109 CYS HB2 H 3.089 0.003 2 999 703 109 CYS HB3 H 2.697 0.012 2 1000 703 109 CYS C C 176.967 0.017 1 1001 703 109 CYS CA C 64.212 0.022 1 1002 703 109 CYS CB C 26.511 0.039 1 1003 703 109 CYS N N 116.817 0.04 1 1004 704 110 MET H H 8.105 0.018 1 1005 704 110 MET HA H 4.37 0.01 1 1006 704 110 MET HB2 H 2.671 0.003 2 1007 704 110 MET HB3 H 2.091 0.002 2 1008 704 110 MET C C 179.553 0.007 1 1009 704 110 MET CA C 58.209 0.045 1 1010 704 110 MET CB C 32.005 0.073 1 1011 704 110 MET CE C 17.13 0 1 1012 704 110 MET N N 118.236 0.07 1 1013 705 111 SER H H 8.17 0.017 1 1014 705 111 SER HA H 4.134 0.018 1 1015 705 111 SER HB2 H 3.702 0.001 2 1016 705 111 SER HB3 H 3.614 0 2 1017 705 111 SER C C 175.3 0.026 1 1018 705 111 SER CA C 62.99 0.04 1 1019 705 111 SER CB C 63.02 0.04 1 1020 705 111 SER N N 116.486 0.047 1 1021 706 112 PHE H H 7.648 0.022 1 1022 706 112 PHE HA H 4.569 0.006 1 1023 706 112 PHE HB2 H 3.505 0.006 2 1024 706 112 PHE HB3 H 2.743 0.009 2 1025 706 112 PHE HD1 H 7.189 0.009 3 1026 706 112 PHE HD2 H 7.189 0.009 3 1027 706 112 PHE HE1 H 6.763 0 3 1028 706 112 PHE HE2 H 6.763 0 3 1029 706 112 PHE C C 173.978 0 1 1030 706 112 PHE CA C 57.999 0.004 1 1031 706 112 PHE CB C 39.058 0.049 1 1032 706 112 PHE N N 118.182 0.053 1 1033 707 113 GLY H H 7.502 0.015 1 1034 707 113 GLY HA2 H 3.811 0.022 2 1035 707 113 GLY HA3 H 3.811 0.022 2 1036 707 113 GLY C C 175.271 0.024 1 1037 707 113 GLY CA C 46.026 0.015 1 1038 707 113 GLY N N 104.137 0.025 1 1039 708 114 LEU H H 7.738 0.017 1 1040 708 114 LEU HA H 4.486 0.005 1 1041 708 114 LEU HB2 H 1.733 0.016 2 1042 708 114 LEU HB3 H 1.913 0.001 2 1043 708 114 LEU C C 176.062 0.004 1 1044 708 114 LEU CA C 54.315 0.019 1 1045 708 114 LEU CB C 42.448 0.122 1 1046 708 114 LEU CG C 26.218 0 1 1047 708 114 LEU CD1 C 24.915 0 2 1048 708 114 LEU CD2 C 24.915 0 2 1049 708 114 LEU N N 118.311 0.027 1 1050 709 115 ASP H H 9.212 0.016 1 1051 709 115 ASP HA H 4.775 0.017 1 1052 709 115 ASP HB2 H 2.713 0.006 2 1053 709 115 ASP HB3 H 2.327 0.011 2 1054 709 115 ASP C C 175.921 0.025 1 1055 709 115 ASP CA C 55.613 0.063 1 1056 709 115 ASP CB C 43.984 0.038 1 1057 709 115 ASP N N 118.291 0.072 1 1058 710 116 GLY H H 7.7 0.016 1 1059 710 116 GLY HA2 H 4.343 0.008 2 1060 710 116 GLY HA3 H 3.674 0.012 2 1061 710 116 GLY C C 170.121 0.009 1 1062 710 116 GLY CA C 45.134 0.06 1 1063 710 116 GLY N N 103.323 0.023 1 1064 711 117 VAL H H 8.556 0.018 1 1065 711 117 VAL HA H 5.055 0.011 1 1066 711 117 VAL HB H 2.002 0.015 1 1067 711 117 VAL HG1 H 0.904 0.008 2 1068 711 117 VAL HG2 H 0.872 0.007 2 1069 711 117 VAL C C 173.002 0.033 1 1070 711 117 VAL CA C 60.471 0.077 1 1071 711 117 VAL CB C 35.394 0.047 1 1072 711 117 VAL CG1 C 22.227 0.034 2 1073 711 117 VAL CG2 C 20.785 0.031 2 1074 711 117 VAL N N 118.483 0.036 1 1075 712 118 LEU H H 9.125 0.015 1 1076 712 118 LEU HA H 4.616 0.01 1 1077 712 118 LEU HB2 H 1.52 0.011 2 1078 712 118 LEU HB3 H 1.493 0.017 2 1079 712 118 LEU HG H 0.84 0.006 1 1080 712 118 LEU HD1 H 0.807 0.011 2 1081 712 118 LEU HD2 H 0.910 0.002 2 1082 712 118 LEU C C 174.264 0.033 1 1083 712 118 LEU CA C 53.121 0.047 1 1084 712 118 LEU CB C 45.431 0.06 1 1085 712 118 LEU CG C 25.439 0.002 1 1086 712 118 LEU CD1 C 22.14 0.069 2 1087 712 118 LEU CD2 C 22.14 0.069 2 1088 712 118 LEU N N 127.829 0.041 1 1089 713 119 LEU H H 8.254 0.022 1 1090 713 119 LEU HA H 4.76 0.009 1 1091 713 119 LEU HB2 H 1.523 0.010 2 1092 713 119 LEU HB3 H 1.548 0.004 2 1093 713 119 LEU HG H 1.633 0 1 1094 713 119 LEU HD1 H 0.826 0.016 2 1095 713 119 LEU HD2 H 0.908 0.003 2 1096 713 119 LEU C C 176.063 0.042 1 1097 713 119 LEU CA C 53.714 0.011 1 1098 713 119 LEU CB C 42.521 0.042 1 1099 713 119 LEU CG C 26.418 0.009 1 1100 713 119 LEU CD1 C 24.009 0.0045 2 1101 713 119 LEU CD2 C 23.189 0 2 1102 713 119 LEU N N 124.886 0.052 1 1103 714 120 LYS H H 8.12 0.016 1 1104 714 120 LYS C C 174.92 0 1 1105 714 120 LYS CA C 54.93 0 1 1106 714 120 LYS CB C 32.715 0 1 1107 714 120 LYS N N 123.364 0.031 1 1108 715 121 PRO HA H 4.509 0.016 1 1109 715 121 PRO HB2 H 2.344 0.003 2 1110 715 121 PRO HB3 H 2.047 0.004 2 1111 715 121 PRO C C 176.34 0 1 1112 715 121 PRO CA C 61.739 0.001 1 1113 715 121 PRO CB C 34.053 0.019 1 1114 715 121 PRO CG C 24.900 0.026 1 1115 715 121 PRO CD C 50.927 0 1 1116 716 122 VAL H H 8.525 0.017 1 1117 716 122 VAL HA H 4.341 0.004 1 1118 716 122 VAL HB H 1.937 0.019 1 1119 716 122 VAL HG2 H 0.895 0.026 2 1120 716 122 VAL HG1 H 0.88 0.009 2 1121 716 122 VAL C C 174.658 0.013 1 1122 716 122 VAL CA C 62.091 0.027 1 1123 716 122 VAL CB C 32.941 0.017 1 1124 716 122 VAL CG1 C 23.063 0.063 2 1125 716 122 VAL CG2 C 21.246 0.035 2 1126 716 122 VAL N N 121.677 0.063 1 1127 717 123 SER H H 8.377 0.021 1 1128 717 123 SER HA H 4.774 0.018 1 1129 717 123 SER HB2 H 4.242 0.022 2 1130 717 123 SER HB3 H 3.86 0.01 2 1131 717 123 SER C C 174.329 0.009 1 1132 717 123 SER CA C 55.591 0.081 1 1133 717 123 SER CB C 67.189 0.078 1 1134 717 123 SER N N 119.154 0.03 1 1135 718 124 LEU H H 8.961 0.016 1 1136 718 124 LEU HA H 3.897 0.013 1 1137 718 124 LEU HB2 H 1.712 0.015 2 1138 718 124 LEU HB3 H 1.674 0.023 2 1139 718 124 LEU HD1 H 0.903 0.008 2 1140 718 124 LEU HD2 H 0.936 0.007 2 1141 718 124 LEU C C 178.402 0.007 1 1142 718 124 LEU CA C 58.743 0.061 1 1143 718 124 LEU CB C 42.07 0.018 1 1144 718 124 LEU CD1 C 25.06 0.03 2 1145 718 124 LEU CD2 C 25.06 0.03 2 1146 718 124 LEU N N 122.343 0.038 1 1147 719 125 ASP H H 8.19 0.017 1 1148 719 125 ASP HA H 4.306 0.008 1 1149 719 125 ASP HB2 H 2.442 0.005 2 1150 719 125 ASP HB3 H 2.652 0.013 2 1151 719 125 ASP C C 177.775 0 1 1152 719 125 ASP CA C 57.328 0.064 1 1153 719 125 ASP CB C 40.437 0.031 1 1154 719 125 ASP N N 115.341 0.036 1 1155 720 126 ASN H H 7.853 0.013 1 1156 720 126 ASN HA H 4.596 0.009 1 1157 720 126 ASN HB2 H 3.041 0.007 2 1158 720 126 ASN HB3 H 2.86 0.010 2 1159 720 126 ASN HD21 H 7.799 0.01 2 1160 720 126 ASN HD22 H 7.058 0.042 2 1161 720 126 ASN C C 178.251 0.007 1 1162 720 126 ASN CA C 55.951 0.118 1 1163 720 126 ASN CB C 38.401 0.014 1 1164 720 126 ASN N N 117.011 0.023 1 1165 720 126 ASN ND2 N 111 0.0279 1 1166 721 127 ILE H H 7.958 0.018 1 1167 721 127 ILE HA H 3.72 0.008 1 1168 721 127 ILE HB H 1.816 0.015 1 1169 721 127 ILE HG12 H 1.786 0.03 2 1170 721 127 ILE HG13 H 0.777 0.027 2 1171 721 127 ILE HG2 H 0.73 0.003 1 1172 721 127 ILE HD1 H 0.495 0.016 1 1173 721 127 ILE C C 176.841 0 1 1174 721 127 ILE CA C 65.413 0.015 1 1175 721 127 ILE CB C 37.707 0.13 1 1176 721 127 ILE CG1 C 29.804 0.065 1 1177 721 127 ILE CG2 C 18.361 0.052 1 1178 721 127 ILE CD1 C 13.472 0.015 1 1179 721 127 ILE N N 120.994 0.071 1 1180 722 128 ARG H H 8.334 0.019 1 1181 722 128 ARG HA H 3.828 0.001 1 1182 722 128 ARG HB2 H 2.072 0.01 2 1183 722 128 ARG HB3 H 2.072 0.01 2 1184 722 128 ARG C C 178.673 0 1 1185 722 128 ARG CA C 60.473 0.014 1 1186 722 128 ARG CB C 30.337 0.074 1 1187 722 128 ARG N N 120.054 0.042 1 1188 723 129 ASP H H 8.255 0.024 1 1189 723 129 ASP HA H 4.402 0.011 1 1190 723 129 ASP HB2 H 2.842 0.009 2 1191 723 129 ASP HB3 H 2.72 0.013 2 1192 723 129 ASP C C 178.2 0 1 1193 723 129 ASP CA C 57.767 0.035 1 1194 723 129 ASP CB C 40.287 0.027 1 1195 723 129 ASP N N 118.87 0.064 1 1196 724 130 VAL H H 7.784 0.015 1 1197 724 130 VAL HA H 4.088 0.009 1 1198 724 130 VAL HB H 2.182 0.017 1 1199 724 130 VAL HG1 H 1.121 0.013 2 1200 724 130 VAL HG2 H 1.086 0.016 2 1201 724 130 VAL C C 177.561 0.01 1 1202 724 130 VAL CA C 65.639 0.054 1 1203 724 130 VAL CB C 31.469 0.06 1 1204 724 130 VAL CG1 C 23.699 0.105 2 1205 724 130 VAL CG2 C 21.169 0.001 2 1206 724 130 VAL N N 120.009 0.044 1 1207 725 131 LEU H H 8.111 0.019 1 1208 725 131 LEU HA H 3.846 0.011 1 1209 725 131 LEU HB2 H 1.516 0.010 2 1210 725 131 LEU HB3 H 0.649 0.003 2 1211 725 131 LEU C C 178.717 0 1 1212 725 131 LEU CA C 57.954 0.038 1 1213 725 131 LEU CB C 41.527 0.048 1 1214 725 131 LEU CD1 C 25.073 0 2 1215 725 131 LEU CD2 C 22.781 0 2 1216 725 131 LEU N N 119.58 0.074 1 1217 726 132 SER H H 8.371 0.018 1 1218 726 132 SER HA H 4.176 0.001 1 1219 726 132 SER HB2 H 4.056 0.002 2 1220 726 132 SER HB3 H 4.056 0.002 2 1221 726 132 SER C C 176.157 0 1 1222 726 132 SER CA C 62.443 0.017 1 1223 726 132 SER CB C 63.326 0.014 1 1224 726 132 SER N N 113.468 0.039 1 1225 727 133 ASP H H 7.872 0.023 1 1226 727 133 ASP HA H 4.523 0.025 1 1227 727 133 ASP HB2 H 2.747 0.004 2 1228 727 133 ASP HB3 H 2.897 0.01 2 1229 727 133 ASP C C 178.219 0 1 1230 727 133 ASP CA C 56.815 0.028 1 1231 727 133 ASP CB C 41.407 0.194 1 1232 727 133 ASP N N 119.53 0.039 1 1233 728 134 LEU H H 7.877 0.016 1 1234 728 134 LEU HA H 4.334 0.011 1 1235 728 134 LEU HB2 H 1.711 0.003 2 1236 728 134 LEU HB3 H 1.466 0.003 2 1237 728 134 LEU HG H 1.675 0.003 1 1238 728 134 LEU HD1 H 0.807 0.011 2 1239 728 134 LEU HD2 H 0.807 0.011 2 1240 728 134 LEU C C 178.433 0.003 1 1241 728 134 LEU CA C 56.557 0.014 1 1242 728 134 LEU CB C 43.415 0.04 1 1243 728 134 LEU CG C 26.191 0.001 1 1244 728 134 LEU CD1 C 22.34 0.02 2 1245 728 134 LEU CD2 C 22.34 0.02 2 1246 728 134 LEU N N 116.403 0.028 1 1247 729 135 LEU H H 8.03 0.015 1 1248 729 135 LEU HA H 4.361 0.018 1 1249 729 135 LEU HB2 H 1.895 0.009 2 1250 729 135 LEU HB3 H 1.57 0.019 2 1251 729 135 LEU HG H 1.675 0.006 1 1252 729 135 LEU HD1 H 0.788 0.01 2 1253 729 135 LEU HD2 H 0.788 0.01 2 1254 729 135 LEU C C 177.363 0.005 1 1255 729 135 LEU CA C 55.33 0.069 1 1256 729 135 LEU CB C 42.599 0.064 1 1257 729 135 LEU CG C 26.749 0.001 1 1258 729 135 LEU CD1 C 23.19 0.017 2 1259 729 135 LEU CD2 C 21.378 0.043 2 1260 729 135 LEU N N 116.899 0.065 1 1261 730 136 GLU H H 7.872 0.013 1 1262 730 136 GLU HA H 4.586 0.023 1 1263 730 136 GLU HB2 H 2.144 0.035 2 1264 730 136 GLU HB3 H 2.144 0.035 2 1265 730 136 GLU HG2 H 2.390 0.006 2 1266 730 136 GLU HG3 H 2.39 0.006 2 1267 730 136 GLU C C 174.457 0 1 1268 730 136 GLU CA C 55.250 0.010 1 1269 730 136 GLU CB C 29.312 0.056 1 1270 730 136 GLU CG C 36.58 0.016 1 1271 730 136 GLU N N 121.298 0.044 1 1272 731 137 PRO HA H 4.43 0.014 1 1273 731 137 PRO HB2 H 2.329 0.023 2 1274 731 137 PRO HB3 H 1.907 0.001 2 1275 731 137 PRO HG2 H 2.082 0.013 2 1276 731 137 PRO HG3 H 2.082 0.013 2 1277 731 137 PRO HD2 H 3.731 0.016 2 1278 731 137 PRO HD3 H 3.731 0.016 2 1279 731 137 PRO C C 177.126 0 1 1280 731 137 PRO CA C 63.879 0.04 1 1281 731 137 PRO CB C 31.834 0.01 1 1282 731 137 PRO CG C 27.538 0.028 1 1283 731 137 PRO CD C 50.622 0.009 1 1284 732 138 ARG H H 8.348 0.014 1 1285 732 138 ARG HA H 4.336 0.008 1 1286 732 138 ARG HB2 H 1.782 0.008 2 1287 732 138 ARG HB3 H 1.782 0.008 2 1288 732 138 ARG HG2 H 1.656 0.005 2 1289 732 138 ARG HG3 H 1.656 0.005 2 1290 732 138 ARG HD2 H 3.205 0.015 2 1291 732 138 ARG HD3 H 3.205 0.015 2 1292 732 138 ARG C C 178.351 0 1 1293 732 138 ARG CA C 56.371 0.004 1 1294 732 138 ARG CB C 30.793 0.132 1 1295 732 138 ARG CG C 27.301 0.074 1 1296 732 138 ARG CD C 43.379 0.001 1 1297 732 138 ARG N N 120.36 0.092 1 1298 733 139 VAL H H 8.019 0.014 1 1299 733 139 VAL HA H 4.037 0.017 1 1300 733 139 VAL HB H 2.021 0.016 1 1301 733 139 VAL HG1 H 0.887 0.018 2 1302 733 139 VAL HG2 H 0.854 0.004 2 1303 733 139 VAL C C 175.815 0.02 1 1304 733 139 VAL CA C 62.658 0.11 1 1305 733 139 VAL CB C 32.628 0.045 1 1306 733 139 VAL CG1 C 20.881 0.002 2 1307 733 139 VAL CG2 C 20.881 0.002 2 1308 733 139 VAL N N 120.745 0.032 1 1309 734 140 LEU H H 8.082 0.014 1 1310 734 140 LEU HA H 4.3 0.008 1 1311 734 140 LEU HB2 H 1.508 0.023 2 1312 734 140 LEU HB3 H 1.397 0.016 2 1313 734 140 LEU HG H 1.813 0.007 1 1314 734 140 LEU HD1 H 0.859 0.019 2 1315 734 140 LEU HD2 H 0.805 0.008 2 1316 734 140 LEU C C 176.722 0.027 1 1317 734 140 LEU CA C 55.073 0.136 1 1318 734 140 LEU CB C 42.553 0.036 1 1319 734 140 LEU CG C 26.720 0.061 1 1320 734 140 LEU CD1 C 24.619 0.001 2 1321 734 140 LEU CD2 C 23.552 0.001 2 1322 734 140 LEU N N 124.51 0.037 1 1323 735 141 TYR H H 8.067 0.014 1 1324 735 141 TYR HA H 4.619 0.011 1 1325 735 141 TYR HB2 H 3.074 0.015 2 1326 735 141 TYR HB3 H 2.906 0.006 2 1327 735 141 TYR HD1 H 7.119 0.014 3 1328 735 141 TYR HD2 H 7.119 0.014 3 1329 735 141 TYR HE1 H 6.8 0.01 3 1330 735 141 TYR HE2 H 6.831 0.015 3 1331 735 141 TYR C C 175.692 0.002 1 1332 735 141 TYR CA C 57.682 0.051 1 1333 735 141 TYR CB C 38.999 0.041 1 1334 735 141 TYR N N 120.14 0.037 1 1335 736 142 GLU H H 8.279 0.014 1 1336 736 142 GLU HA H 4.279 0.006 1 1337 736 142 GLU HB2 H 2.048 0.002 2 1338 736 142 GLU HB3 H 1.971 0.042 2 1339 736 142 GLU HG2 H 2.245 0.012 2 1340 736 142 GLU HG3 H 2.245 0.012 2 1341 736 142 GLU C C 176.638 0 1 1342 736 142 GLU CA C 56.757 0.006 1 1343 736 142 GLU CB C 30.392 0.074 1 1344 736 142 GLU CG C 36.030 0.088 1 1345 736 142 GLU N N 122.483 0.032 1 1346 737 143 GLY H H 8.112 0.017 1 1347 737 143 GLY HA2 H 3.983 0.009 2 1348 737 143 GLY HA3 H 3.882 0.019 2 1349 737 143 GLY C C 173.337 0.019 1 1350 737 143 GLY CA C 45.528 0.037 1 1351 737 143 GLY N N 110.104 0.028 1 1352 738 144 MET H H 7.779 0.019 1 1353 738 144 MET HA H 4.311 0.003 1 1354 738 144 MET HB2 H 1.974 0.013 2 1355 738 144 MET HB3 H 1.974 0.013 2 1356 738 144 MET HG2 H 2.548 0.0001 2 1357 738 144 MET HG3 H 2.494 0.0005 2 1358 738 144 MET C C 175.395 0 1 1359 738 144 MET CA C 57.212 0.005 1 1360 738 144 MET CB C 33.821 0.001 1 1361 738 144 MET N N 124.577 0.027 1 stop_ save_