data_27430 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Distinctive phosphoinositide and Ca2+ binding properties of normal and cognitive performance-linked variant forms of KIBRA C2 domain ; _BMRB_accession_number 27430 _BMRB_flat_file_name bmr27430.str _Entry_type original _Submission_date 2018-03-19 _Accession_date 2018-03-19 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone resonance assignments of KIBRA C2 domain: variant C771A' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Posner Mareike G. . 2 Upadhyay Abhishek . . 3 Ishima Rieko . . 4 Bagby Stefan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 233 "13C chemical shifts" 245 "15N chemical shifts" 116 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-11-13 update BMRB 'update entry citation' 2018-03-22 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27429 'KIBRA C2 domain: C771A' stop_ _Original_release_date 2018-03-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Distinctive phosphoinositide- and Ca2+-binding properties of normal and cognitive performance-linked variant forms of KIBRA C2 domain ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29724824 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Posner Mareike G. . 2 Upadhyay Abhishek . . 3 Ishima Rieko . . 4 Kalli Antreas C. . 5 Harris Gemma . . 6 Kremerskothen Joachim . . 7 Sansom Mark SP . 8 Crennell Susan J. . 9 Bagby Stefan . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 293 _Journal_issue 24 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9335 _Page_last 9344 _Year 2018 _Details . loop_ _Keyword 'Analytical ultracentrifugation' 'C2 domain' KIBRA NMR 'WWC protein family' 'X-ray crystallography' 'calcium binding' 'human cognition' 'molecular dynamics' phosphoinositide stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name KIBRA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'C2 domain variant' $variant_KIBRA 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_variant_KIBRA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common variant_KIBRA _Molecular_mass 15809 _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'Memory and cognition' 'Organ growth control' 'Receptor trafficking' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 140 _Mol_residue_sequence ; MRGSHHHHHHGSGATRIQIA LKYDEKNKQFAILIIQLSNL SALLQQQDQKVNIRVAVLPC SESTTCLFRTRPLDASDTLV FNEVFWVSIAYPALHQKTLR VDVCTTDRSHLEECLGGAQI SLAEVARSGERSTRWYNLLS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 646 MET 2 647 ARG 3 648 GLY 4 649 SER 5 650 HIS 6 651 HIS 7 652 HIS 8 653 HIS 9 654 HIS 10 655 HIS 11 656 GLY 12 657 SER 13 658 GLY 14 659 ALA 15 660 THR 16 661 ARG 17 662 ILE 18 663 GLN 19 664 ILE 20 665 ALA 21 666 LEU 22 667 LYS 23 668 TYR 24 669 ASP 25 670 GLU 26 671 LYS 27 672 ASN 28 673 LYS 29 674 GLN 30 675 PHE 31 676 ALA 32 677 ILE 33 678 LEU 34 679 ILE 35 680 ILE 36 681 GLN 37 682 LEU 38 683 SER 39 684 ASN 40 685 LEU 41 686 SER 42 687 ALA 43 688 LEU 44 689 LEU 45 690 GLN 46 691 GLN 47 692 GLN 48 693 ASP 49 694 GLN 50 695 LYS 51 696 VAL 52 697 ASN 53 698 ILE 54 699 ARG 55 700 VAL 56 701 ALA 57 702 VAL 58 703 LEU 59 704 PRO 60 705 CYS 61 706 SER 62 707 GLU 63 708 SER 64 709 THR 65 710 THR 66 711 CYS 67 712 LEU 68 713 PHE 69 714 ARG 70 715 THR 71 716 ARG 72 717 PRO 73 718 LEU 74 719 ASP 75 720 ALA 76 721 SER 77 722 ASP 78 723 THR 79 724 LEU 80 725 VAL 81 726 PHE 82 727 ASN 83 728 GLU 84 729 VAL 85 730 PHE 86 731 TRP 87 732 VAL 88 733 SER 89 734 ILE 90 735 ALA 91 736 TYR 92 737 PRO 93 738 ALA 94 739 LEU 95 740 HIS 96 741 GLN 97 742 LYS 98 743 THR 99 744 LEU 100 745 ARG 101 746 VAL 102 747 ASP 103 748 VAL 104 749 CYS 105 750 THR 106 751 THR 107 752 ASP 108 753 ARG 109 754 SER 110 755 HIS 111 756 LEU 112 757 GLU 113 758 GLU 114 759 CYS 115 760 LEU 116 761 GLY 117 762 GLY 118 763 ALA 119 764 GLN 120 765 ILE 121 766 SER 122 767 LEU 123 768 ALA 124 769 GLU 125 770 VAL 126 771 ALA 127 772 ARG 128 773 SER 129 774 GLY 130 775 GLU 131 776 ARG 132 777 SER 133 778 THR 134 779 ARG 135 780 TRP 136 781 TYR 137 782 ASN 138 783 LEU 139 784 LEU 140 785 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 NCBI NP_001155133 'KIBRA isoform 1' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $variant_KIBRA Human 9606 Eukaryota Metazoa Homo sapiens 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 $variant_KIBRA 'recombinant technology' . Escherichia coli BL21(DE3) pQE30 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'Variant KIBRA C2 domain' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $variant_KIBRA 0.6 mM 0.2 1.0 '[U-98% 13C; U-98% 15N]' H2O 95 % . . 'natural abundance' D2O 5 % . . 'natural abundance' MES 50 mM . . 'natural abundance' 'sodium chloride' 50 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNMR _Saveframe_category software _Name CcpNMR _Version 2.4 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model Unity _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_1 save_ save_2D_1H-15N_HSQC_NH2_only_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC NH2 only' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNHA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HCACO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 0.005 M pH 6.5 0.1 pH pressure 1 . atm temperature 308 0.5 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 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_Variant_KIBRA_C2_C771A _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-15N HSQC NH2 only' '3D CBCA(CO)NH' '3D HNCACB' '3D C(CO)NH' '3D HNHA' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D HCACO' '3D HNCO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'C2 domain variant' _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 1 658 13 GLY H H 8.300 0.001 1 2 658 13 GLY HA2 H 3.882 0.001 2 3 658 13 GLY HA3 H 3.882 0.001 2 4 658 13 GLY C C 171.713 0.011 1 5 658 13 GLY CA C 45.009 0.011 1 6 658 13 GLY N N 110.943 0.010 1 7 659 14 ALA H H 7.857 0.001 1 8 659 14 ALA HA H 4.505 0.001 1 9 659 14 ALA C C 177.125 0.011 1 10 659 14 ALA CA C 51.336 0.011 1 11 659 14 ALA N N 122.323 0.010 1 12 660 15 THR H H 8.864 0.001 1 13 660 15 THR C C 177.118 0.011 1 14 660 15 THR CA C 63.970 0.011 1 15 660 15 THR N N 122.983 0.010 1 16 661 16 ARG H H 8.515 0.001 1 17 661 16 ARG HA H 5.713 0.001 1 18 661 16 ARG C C 173.201 0.011 1 19 661 16 ARG CA C 54.196 0.011 1 20 661 16 ARG N N 123.369 0.010 1 21 662 17 ILE H H 9.536 0.001 1 22 662 17 ILE HA H 5.559 0.001 1 23 662 17 ILE C C 170.385 0.011 1 24 662 17 ILE CA C 57.909 0.011 1 25 662 17 ILE N N 121.070 0.010 1 26 663 18 GLN H H 8.971 0.001 1 27 663 18 GLN HA H 4.741 0.001 1 28 663 18 GLN C C 173.677 0.011 1 29 663 18 GLN CA C 53.786 0.011 1 30 663 18 GLN N N 132.110 0.010 1 31 664 19 ILE H H 8.559 0.001 1 32 664 19 ILE HA H 5.024 0.001 1 33 664 19 ILE C C 173.704 0.011 1 34 664 19 ILE CA C 59.509 0.011 1 35 664 19 ILE N N 126.870 0.010 1 36 665 20 ALA H H 9.352 0.001 1 37 665 20 ALA HA H 5.940 0.001 1 38 665 20 ALA C C 174.807 0.011 1 39 665 20 ALA CA C 49.258 0.011 1 40 665 20 ALA N N 130.737 0.010 1 41 666 21 LEU H H 8.607 0.001 1 42 666 21 LEU HA H 5.161 0.001 1 43 666 21 LEU C C 175.429 0.011 1 44 666 21 LEU CA C 53.172 0.011 1 45 666 21 LEU N N 122.447 0.010 1 46 667 22 LYS H H 8.058 0.001 1 47 667 22 LYS HA H 4.703 0.001 1 48 667 22 LYS C C 172.099 0.011 1 49 667 22 LYS CA C 56.336 0.011 1 50 667 22 LYS N N 119.940 0.010 1 51 668 23 TYR H H 9.868 0.001 1 52 668 23 TYR HA H 5.214 0.001 1 53 668 23 TYR C C 172.068 0.011 1 54 668 23 TYR CA C 58.308 0.011 1 55 668 23 TYR N N 128.064 0.010 1 56 669 24 ASP H H 8.334 0.001 1 57 669 24 ASP HA H 4.740 0.001 1 58 669 24 ASP C C 174.157 0.011 1 59 669 24 ASP CA C 51.734 0.011 1 60 669 24 ASP N N 128.656 0.010 1 61 670 25 GLU H H 9.000 0.001 1 62 670 25 GLU HA H 4.156 0.001 1 63 670 25 GLU C C 177.089 0.011 1 64 670 25 GLU CA C 58.401 0.011 1 65 670 25 GLU N N 126.431 0.010 1 66 671 26 LYS H H 8.161 0.001 1 67 671 26 LYS HA H 4.032 0.001 1 68 671 26 LYS C C 177.010 0.011 1 69 671 26 LYS CA C 59.161 0.011 1 70 671 26 LYS N N 120.434 0.010 1 71 672 27 ASN H H 7.270 0.001 1 72 672 27 ASN HA H 4.736 0.001 1 73 672 27 ASN C C 172.586 0.011 1 74 672 27 ASN CA C 52.470 0.011 1 75 672 27 ASN N N 113.499 0.010 1 76 673 28 LYS H H 7.870 0.001 1 77 673 28 LYS HA H 4.019 0.001 1 78 673 28 LYS C C 174.026 0.011 1 79 673 28 LYS CA C 56.921 0.011 1 80 673 28 LYS N N 121.093 0.010 1 81 674 29 GLN H H 7.541 0.001 1 82 674 29 GLN HA H 5.400 0.001 1 83 674 29 GLN C C 172.239 0.011 1 84 674 29 GLN CA C 54.181 0.011 1 85 674 29 GLN N N 114.403 0.010 1 86 675 30 PHE H H 9.793 0.001 1 87 675 30 PHE HA H 5.518 0.001 1 88 675 30 PHE C C 170.879 0.011 1 89 675 30 PHE CA C 54.268 0.011 1 90 675 30 PHE N N 126.205 0.010 1 91 676 31 ALA H H 8.742 0.001 1 92 676 31 ALA HA H 4.423 0.001 1 93 676 31 ALA C C 174.202 0.011 1 94 676 31 ALA CA C 50.233 0.011 1 95 676 31 ALA N N 130.519 0.010 1 96 677 32 ILE H H 8.235 0.001 1 97 677 32 ILE HA H 3.842 0.001 1 98 677 32 ILE C C 172.214 0.011 1 99 677 32 ILE CA C 59.667 0.011 1 100 677 32 ILE N N 122.275 0.010 1 101 678 33 LEU H H 8.878 0.001 1 102 678 33 LEU HA H 4.840 0.001 1 103 678 33 LEU C C 174.253 0.011 1 104 678 33 LEU CA C 53.337 0.011 1 105 678 33 LEU N N 128.350 0.010 1 106 679 34 ILE H H 9.016 0.001 1 107 679 34 ILE HA H 3.990 0.001 1 108 679 34 ILE C C 174.039 0.011 1 109 679 34 ILE CA C 58.407 0.011 1 110 679 34 ILE N N 126.988 0.010 1 111 680 35 ILE H H 8.300 0.001 1 112 680 35 ILE HA H 3.965 0.001 1 113 680 35 ILE C C 175.563 0.011 1 114 680 35 ILE CA C 65.548 0.011 1 115 680 35 ILE N N 127.625 0.010 1 116 681 36 GLN H H 7.219 0.001 1 117 681 36 GLN HA H 5.691 0.001 1 118 681 36 GLN C C 170.696 0.011 1 119 681 36 GLN CA C 54.114 0.011 1 120 681 36 GLN N N 110.454 0.010 1 121 682 37 LEU H H 9.566 0.001 1 122 682 37 LEU HA H 5.643 0.001 1 123 682 37 LEU C C 174.223 0.011 1 124 682 37 LEU CA C 53.859 0.011 1 125 682 37 LEU N N 123.588 0.010 1 126 683 38 SER H H 9.605 0.001 1 127 683 38 SER HA H 4.843 0.001 1 128 683 38 SER C C 172.628 0.000 1 129 683 38 SER CA C 56.959 0.011 1 130 683 38 SER N N 119.714 0.010 1 131 684 39 ASN H H 8.653 0.001 1 132 684 39 ASN HA H 4.843 0.001 1 133 684 39 ASN C C 176.996 0.011 1 134 684 39 ASN CA C 53.684 0.011 1 135 684 39 ASN N N 121.169 0.010 1 136 685 40 LEU H H 9.376 0.001 1 137 685 40 LEU HA H 4.837 0.001 1 138 685 40 LEU C C 176.915 0.011 1 139 685 40 LEU CA C 57.676 0.011 1 140 685 40 LEU N N 123.930 0.010 1 141 686 41 SER H H 9.102 0.001 1 142 686 41 SER HA H 4.250 0.001 1 143 686 41 SER C C 173.931 0.000 1 144 686 41 SER CA C 61.107 0.011 1 145 686 41 SER N N 113.681 0.010 1 146 687 42 ALA H H 7.163 0.001 1 147 687 42 ALA HA H 4.046 0.001 1 148 687 42 ALA C C 177.307 0.011 1 149 687 42 ALA CA C 54.413 0.011 1 150 687 42 ALA N N 123.203 0.010 1 151 688 43 LEU H H 7.667 0.001 1 152 688 43 LEU HA H 4.500 0.001 1 153 688 43 LEU C C 175.515 0.011 1 154 688 43 LEU CA C 54.945 0.011 1 155 688 43 LEU N N 116.511 0.010 1 156 689 44 LEU H H 7.791 0.001 1 157 689 44 LEU HA H 4.421 0.001 1 158 689 44 LEU C C 174.299 0.011 1 159 689 44 LEU CA C 54.518 0.011 1 160 689 44 LEU N N 120.061 0.010 1 161 690 45 GLN H H 8.583 0.001 1 162 690 45 GLN HA H 4.344 0.001 1 163 690 45 GLN C C 174.975 0.011 1 164 690 45 GLN CA C 56.451 0.011 1 165 690 45 GLN N N 123.652 0.010 1 166 691 46 GLN H H 7.633 0.001 1 167 691 46 GLN HA H 4.330 0.001 1 168 691 46 GLN C C 174.517 0.011 1 169 691 46 GLN CA C 55.757 0.011 1 170 691 46 GLN N N 119.490 0.010 1 171 692 47 GLN H H 8.438 0.001 1 172 692 47 GLN HA H 4.240 0.001 1 173 692 47 GLN C C 174.460 0.011 1 174 692 47 GLN CA C 56.051 0.011 1 175 692 47 GLN N N 121.248 0.010 1 176 693 48 ASP H H 8.452 0.001 1 177 693 48 ASP HA H 4.633 0.001 1 178 693 48 ASP C C 174.477 0.011 1 179 693 48 ASP CA C 54.026 0.011 1 180 693 48 ASP N N 119.293 0.010 1 181 694 49 GLN H H 7.661 0.001 1 182 694 49 GLN HA H 4.584 0.001 1 183 694 49 GLN C C 174.072 0.011 1 184 694 49 GLN CA C 54.800 0.011 1 185 694 49 GLN N N 117.807 0.010 1 186 695 50 LYS H H 8.463 0.001 1 187 695 50 LYS HA H 4.894 0.001 1 188 695 50 LYS C C 175.919 0.011 1 189 695 50 LYS CA C 55.097 0.011 1 190 695 50 LYS N N 120.793 0.010 1 191 696 51 VAL H H 9.218 0.001 1 192 696 51 VAL HA H 5.211 0.001 1 193 696 51 VAL C C 173.361 0.011 1 194 696 51 VAL CA C 59.594 0.011 1 195 696 51 VAL N N 118.516 0.010 1 196 697 52 ASN H H 9.200 0.001 1 197 697 52 ASN HA H 4.780 0.001 1 198 697 52 ASN C C 170.921 0.011 1 199 697 52 ASN CA C 51.339 0.011 1 200 697 52 ASN N N 119.686 0.010 1 201 698 53 ILE H H 8.050 0.001 1 202 698 53 ILE HA H 4.889 0.001 1 203 698 53 ILE C C 173.488 0.011 1 204 698 53 ILE CA C 57.413 0.011 1 205 698 53 ILE N N 119.829 0.010 1 206 699 54 ARG H H 9.042 0.001 1 207 699 54 ARG HA H 4.980 0.001 1 208 699 54 ARG C C 173.985 0.011 1 209 699 54 ARG CA C 54.331 0.011 1 210 699 54 ARG N N 129.545 0.010 1 211 700 55 VAL H H 9.188 0.001 1 212 700 55 VAL HA H 4.897 0.001 1 213 700 55 VAL C C 171.976 0.011 1 214 700 55 VAL CA C 60.373 0.011 1 215 700 55 VAL N N 127.568 0.010 1 216 701 56 ALA H H 9.155 0.001 1 217 701 56 ALA HA H 5.538 0.001 1 218 701 56 ALA C C 174.911 0.011 1 219 701 56 ALA CA C 49.962 0.011 1 220 701 56 ALA N N 128.742 0.010 1 221 702 57 VAL H H 8.362 0.001 1 222 702 57 VAL HA H 4.479 0.001 1 223 702 57 VAL C C 173.649 0.011 1 224 702 57 VAL CA C 62.027 0.011 1 225 702 57 VAL N N 123.772 0.010 1 226 703 58 LEU H H 8.849 0.001 1 227 703 58 LEU HA H 4.626 0.001 1 228 703 58 LEU C C 174.456 0.011 1 229 703 58 LEU CA C 52.278 0.011 1 230 703 58 LEU N N 125.903 0.011 1 231 708 63 SER HA H 4.377 0.001 1 232 708 63 SER C C 173.577 0.011 1 233 708 63 SER CA C 59.453 0.011 1 234 709 64 THR H H 7.828 0.001 1 235 709 64 THR HA H 4.493 0.001 1 236 709 64 THR C C 173.506 0.011 1 237 709 64 THR CA C 61.883 0.011 1 238 709 64 THR N N 113.683 0.010 1 239 710 65 THR H H 8.116 0.001 1 240 710 65 THR HA H 4.351 0.001 1 241 710 65 THR C C 173.444 0.011 1 242 710 65 THR CA C 62.540 0.011 1 243 710 65 THR N N 116.101 0.010 1 244 711 66 CYS H H 8.282 0.001 1 245 711 66 CYS C C 170.468 0.011 1 246 711 66 CYS CA C 54.710 0.011 1 247 711 66 CYS N N 119.812 0.010 1 248 712 67 LEU H H 6.877 0.001 1 249 712 67 LEU HA H 5.099 0.001 1 250 712 67 LEU C C 173.450 0.011 1 251 712 67 LEU CA C 54.107 0.011 1 252 712 67 LEU N N 121.663 0.010 1 253 713 68 PHE H H 9.141 0.001 1 254 713 68 PHE HA H 4.530 0.001 1 255 713 68 PHE C C 173.102 0.011 1 256 713 68 PHE CA C 55.440 0.011 1 257 713 68 PHE N N 124.477 0.010 1 258 714 69 ARG H H 8.261 0.001 1 259 714 69 ARG HA H 5.401 0.001 1 260 714 69 ARG C C 175.937 0.011 1 261 714 69 ARG CA C 54.631 0.011 1 262 714 69 ARG N N 119.696 0.010 1 263 715 70 THR H H 8.361 0.001 1 264 715 70 THR HA H 4.774 0.001 1 265 715 70 THR C C 173.821 0.011 1 266 715 70 THR CA C 61.353 0.011 1 267 715 70 THR N N 111.785 0.010 1 268 716 71 ARG H H 9.714 0.001 1 269 716 71 ARG HA H 4.688 0.001 1 270 716 71 ARG C C 173.506 0.011 1 271 716 71 ARG CA C 54.869 0.011 1 272 716 71 ARG N N 122.745 0.010 1 273 717 72 PRO C C 175.958 0.011 1 274 717 72 PRO CA C 61.171 0.011 1 275 718 73 LEU H H 8.989 0.001 1 276 718 73 LEU HA H 4.767 0.001 1 277 718 73 LEU C C 175.582 0.011 1 278 718 73 LEU CA C 52.970 0.011 1 279 718 73 LEU N N 123.130 0.010 1 280 719 74 ASP H H 8.229 0.001 1 281 719 74 ASP HA H 4.469 0.001 1 282 719 74 ASP C C 175.094 0.011 1 283 719 74 ASP CA C 55.546 0.011 1 284 719 74 ASP N N 121.115 0.010 1 285 720 75 ALA H H 8.167 0.001 1 286 720 75 ALA HA H 4.415 0.001 1 287 720 75 ALA C C 175.084 0.011 1 288 720 75 ALA CA C 54.358 0.011 1 289 720 75 ALA N N 122.818 0.010 1 290 721 76 SER H H 6.877 0.001 1 291 721 76 SER HA H 4.400 0.001 1 292 721 76 SER C C 172.170 0.011 1 293 721 76 SER CA C 57.084 0.011 1 294 721 76 SER N N 114.431 0.010 1 295 722 77 ASP H H 8.284 0.001 1 296 722 77 ASP HA H 4.646 0.001 1 297 722 77 ASP C C 175.692 0.011 1 298 722 77 ASP CA C 58.482 0.011 1 299 722 77 ASP N N 120.792 0.010 1 300 723 78 THR H H 7.666 0.001 1 301 723 78 THR HA H 5.089 0.001 1 302 723 78 THR C C 172.498 0.011 1 303 723 78 THR CA C 61.259 0.011 1 304 723 78 THR N N 111.046 0.010 1 305 724 79 LEU H H 8.582 0.001 1 306 724 79 LEU HA H 4.585 0.001 1 307 724 79 LEU C C 172.456 0.011 1 308 724 79 LEU CA C 53.242 0.011 1 309 724 79 LEU N N 126.870 0.010 1 310 725 80 VAL H H 8.453 0.001 1 311 725 80 VAL HA H 4.158 0.001 1 312 725 80 VAL C C 173.796 0.011 1 313 725 80 VAL CA C 62.239 0.011 1 314 725 80 VAL N N 124.807 0.010 1 315 726 81 PHE H H 8.332 0.001 1 316 726 81 PHE HA H 4.433 0.001 1 317 726 81 PHE C C 174.620 0.011 1 318 726 81 PHE CA C 59.916 0.011 1 319 726 81 PHE N N 124.288 0.010 1 320 727 82 ASN H H 8.572 0.001 1 321 727 82 ASN HA H 4.393 0.001 1 322 727 82 ASN C C 173.064 0.011 1 323 727 82 ASN CA C 54.478 0.011 1 324 727 82 ASN N N 119.903 0.010 1 325 728 83 GLU H H 7.727 0.001 1 326 728 83 GLU HA H 4.523 0.001 1 327 728 83 GLU C C 172.293 0.011 1 328 728 83 GLU CA C 56.409 0.011 1 329 728 83 GLU N N 117.845 0.010 1 330 729 84 VAL H H 7.878 0.001 1 331 729 84 VAL HA H 4.768 0.001 1 332 729 84 VAL C C 171.828 0.011 1 333 729 84 VAL CA C 58.418 0.011 1 334 729 84 VAL N N 122.959 0.010 1 335 730 85 PHE H H 8.344 0.001 1 336 730 85 PHE HA H 4.540 0.001 1 337 730 85 PHE C C 172.518 0.011 1 338 730 85 PHE CA C 55.093 0.011 1 339 730 85 PHE N N 126.529 0.010 1 340 731 86 TRP H H 8.169 0.001 1 341 731 86 TRP HA H 5.367 0.001 1 342 731 86 TRP C C 174.953 0.011 1 343 731 86 TRP CA C 55.556 0.011 1 344 731 86 TRP N N 121.551 0.010 1 345 732 87 VAL H H 9.455 0.001 1 346 732 87 VAL HA H 4.565 0.001 1 347 732 87 VAL C C 174.883 0.011 1 348 732 87 VAL CA C 60.670 0.011 1 349 732 87 VAL N N 121.918 0.010 1 350 733 88 SER H H 8.963 0.001 1 351 733 88 SER HA H 5.178 0.001 1 352 733 88 SER C C 174.858 0.011 1 353 733 88 SER CA C 57.899 0.011 1 354 733 88 SER N N 124.960 0.010 1 355 734 89 ILE H H 8.179 0.001 1 356 734 89 ILE HA H 4.463 0.001 1 357 734 89 ILE C C 170.871 0.011 1 358 734 89 ILE CA C 60.650 0.011 1 359 734 89 ILE N N 127.572 0.010 1 360 735 90 ALA H H 8.599 0.001 1 361 735 90 ALA HA H 4.494 0.001 1 362 735 90 ALA C C 176.657 0.011 1 363 735 90 ALA CA C 51.782 0.011 1 364 735 90 ALA N N 130.467 0.010 1 365 736 91 TYR H H 8.965 0.001 1 366 736 91 TYR HA H 5.330 0.001 1 367 736 91 TYR C C 176.623 0.011 1 368 736 91 TYR CA C 63.779 0.011 1 369 736 91 TYR N N 124.657 0.010 1 370 737 92 PRO C C 177.013 0.011 1 371 737 92 PRO CA C 65.642 0.011 1 372 738 93 ALA H H 6.700 0.001 1 373 738 93 ALA HA H 4.137 0.001 1 374 738 93 ALA C C 178.576 0.011 1 375 738 93 ALA CA C 53.425 0.011 1 376 738 93 ALA N N 116.963 0.010 1 377 739 94 LEU H H 7.652 0.001 1 378 739 94 LEU HA H 3.458 0.001 1 379 739 94 LEU C C 176.453 0.011 1 380 739 94 LEU CA C 57.832 0.011 1 381 739 94 LEU N N 120.990 0.010 1 382 740 95 HIS H H 7.464 0.001 1 383 740 95 HIS C C 174.045 0.011 1 384 740 95 HIS CA C 57.857 0.011 1 385 740 95 HIS N N 112.306 0.010 1 386 741 96 GLN H H 7.022 0.001 1 387 741 96 GLN HA H 4.293 0.001 1 388 741 96 GLN C C 175.262 0.011 1 389 741 96 GLN CA C 54.927 0.011 1 390 741 96 GLN N N 114.679 0.010 1 391 742 97 LYS H H 7.595 0.001 1 392 742 97 LYS HA H 4.941 0.001 1 393 742 97 LYS C C 174.917 0.011 1 394 742 97 LYS CA C 54.761 0.011 1 395 742 97 LYS N N 119.203 0.010 1 396 744 99 LEU HA H 5.294 0.001 1 397 744 99 LEU C C 174.042 0.011 1 398 744 99 LEU CA C 52.698 0.011 1 399 745 100 ARG H H 9.461 0.001 1 400 745 100 ARG HA H 5.209 0.001 1 401 745 100 ARG C C 173.957 0.011 1 402 745 100 ARG CA C 54.131 0.011 1 403 745 100 ARG N N 127.810 0.010 1 404 746 101 VAL H H 8.672 0.001 1 405 746 101 VAL HA H 5.209 0.001 1 406 746 101 VAL C C 172.721 0.011 1 407 746 101 VAL CA C 59.290 0.011 1 408 746 101 VAL N N 125.557 0.010 1 409 747 102 ASP H H 8.947 0.001 1 410 747 102 ASP HA H 5.766 0.001 1 411 747 102 ASP C C 173.242 0.011 1 412 747 102 ASP CA C 53.268 0.011 1 413 747 102 ASP N N 122.653 0.010 1 414 748 103 VAL H H 8.698 0.001 1 415 748 103 VAL HA H 4.642 0.001 1 416 748 103 VAL C C 173.394 0.011 1 417 748 103 VAL CA C 60.472 0.011 1 418 748 103 VAL N N 120.227 0.010 1 419 749 104 CYS H H 8.966 0.001 1 420 749 104 CYS HA H 5.550 0.001 1 421 749 104 CYS C C 171.180 0.011 1 422 749 104 CYS CA C 55.830 0.011 1 423 749 104 CYS N N 126.875 0.010 1 424 750 105 THR H H 9.087 0.001 1 425 750 105 THR HA H 5.307 0.001 1 426 750 105 THR C C 173.174 0.011 1 427 750 105 THR CA C 59.700 0.011 1 428 750 105 THR N N 113.826 0.010 1 429 751 106 THR H H 8.159 0.001 1 430 751 106 THR HA H 4.897 0.001 1 431 751 106 THR C C 172.899 0.011 1 432 751 106 THR CA C 60.652 0.011 1 433 751 106 THR N N 115.279 0.010 1 434 752 107 ASP H H 8.259 0.001 1 435 752 107 ASP HA H 4.719 0.001 1 436 752 107 ASP C C 176.808 0.011 1 437 752 107 ASP CA C 53.212 0.011 1 438 752 107 ASP N N 124.809 0.010 1 439 753 108 ARG H H 8.322 0.001 1 440 753 108 ARG HA H 4.127 0.001 1 441 753 108 ARG C C 175.984 0.011 1 442 753 108 ARG CA C 57.922 0.011 1 443 753 108 ARG N N 118.756 0.010 1 444 754 109 SER H H 8.325 0.001 1 445 754 109 SER HA H 4.423 0.001 1 446 754 109 SER C C 176.000 0.011 1 447 754 109 SER CA C 58.321 0.011 1 448 754 109 SER N N 115.952 0.010 1 449 755 110 HIS C C 175.091 0.011 1 450 755 110 HIS CA C 56.586 0.011 1 451 756 111 LEU H H 8.172 0.001 1 452 756 111 LEU HA H 4.383 0.001 1 453 756 111 LEU C C 175.610 0.011 1 454 756 111 LEU CA C 55.065 0.011 1 455 756 111 LEU N N 122.938 0.010 1 456 757 112 GLU H H 8.322 0.001 1 457 757 112 GLU HA H 4.728 0.001 1 458 757 112 GLU C C 174.620 0.011 1 459 757 112 GLU CA C 56.142 0.011 1 460 757 112 GLU N N 124.288 0.010 1 461 758 113 GLU H H 8.520 0.001 1 462 758 113 GLU HA H 4.576 0.001 1 463 758 113 GLU C C 174.346 0.011 1 464 758 113 GLU CA C 55.381 0.011 1 465 758 113 GLU N N 126.843 0.010 1 466 759 114 CYS H H 8.985 0.001 1 467 759 114 CYS HA H 5.334 0.001 1 468 759 114 CYS C C 173.488 0.011 1 469 759 114 CYS CA C 56.999 0.011 1 470 759 114 CYS N N 124.025 0.010 1 471 760 115 LEU H H 9.021 0.001 1 472 760 115 LEU HA H 4.428 0.001 1 473 760 115 LEU C C 175.140 0.011 1 474 760 115 LEU CA C 55.470 0.011 1 475 760 115 LEU N N 122.980 0.010 1 476 761 116 GLY H H 7.469 0.001 1 477 761 116 GLY HA2 H 4.158 0.001 2 478 761 116 GLY HA3 H 4.158 0.001 2 479 761 116 GLY C C 170.583 0.011 1 480 761 116 GLY CA C 45.242 0.011 1 481 761 116 GLY N N 105.700 0.010 1 482 762 117 GLY H H 8.523 0.001 1 483 762 117 GLY HA2 H 4.595 0.001 2 484 762 117 GLY HA3 H 4.595 0.001 2 485 762 117 GLY C C 171.218 0.011 1 486 762 117 GLY CA C 47.620 0.011 1 487 762 117 GLY N N 107.156 0.010 1 488 763 118 ALA H H 9.000 0.001 1 489 763 118 ALA HA H 4.807 0.001 1 490 763 118 ALA C C 174.367 0.011 1 491 763 118 ALA CA C 51.319 0.011 1 492 763 118 ALA N N 121.347 0.010 1 493 764 119 GLN H H 8.565 0.001 1 494 764 119 GLN HA H 4.401 0.001 1 495 764 119 GLN C C 174.150 0.011 1 496 764 119 GLN CA C 54.601 0.011 1 497 764 119 GLN N N 120.264 0.010 1 498 765 120 ILE H H 9.255 0.001 1 499 765 120 ILE HA H 4.190 0.001 1 500 765 120 ILE C C 174.164 0.011 1 501 765 120 ILE CA C 60.198 0.011 1 502 765 120 ILE N N 126.712 0.010 1 503 766 121 SER C C 175.252 0.011 1 504 766 121 SER CA C 58.434 0.011 1 505 767 122 LEU H H 8.021 0.001 1 506 767 122 LEU HA H 4.486 0.001 1 507 767 122 LEU C C 175.691 0.011 1 508 767 122 LEU CA C 54.486 0.011 1 509 767 122 LEU N N 126.727 0.010 1 510 768 123 ALA H H 7.697 0.001 1 511 768 123 ALA C C 176.963 0.011 1 512 768 123 ALA CA C 54.416 0.011 1 513 768 123 ALA N N 121.907 0.010 1 514 769 124 GLU H H 7.765 0.001 1 515 769 124 GLU HA H 4.335 0.001 1 516 769 124 GLU C C 175.916 0.011 1 517 769 124 GLU CA C 56.003 0.011 1 518 769 124 GLU N N 113.050 0.011 1 519 770 125 VAL H H 7.168 0.001 1 520 770 125 VAL HA H 3.939 0.001 1 521 770 125 VAL C C 175.103 0.011 1 522 770 125 VAL CA C 63.406 0.011 1 523 770 125 VAL N N 121.601 0.010 1 524 771 126 ALA H H 9.057 0.001 1 525 771 126 ALA HA H 4.494 0.001 1 526 771 126 ALA C C 177.597 0.011 1 527 771 126 ALA CA C 52.458 0.011 1 528 771 126 ALA N N 132.768 0.010 1 529 772 127 ARG H H 8.752 0.001 1 530 772 127 ARG C C 175.307 0.011 1 531 772 127 ARG CA C 58.345 0.011 1 532 772 127 ARG N N 125.103 0.010 1 533 773 128 SER H H 7.645 0.001 1 534 773 128 SER HA H 4.347 0.001 1 535 773 128 SER C C 175.035 0.011 1 536 773 128 SER CA C 58.351 0.011 1 537 773 128 SER N N 108.677 0.010 1 538 774 129 GLY H H 7.525 0.001 1 539 774 129 GLY HA2 H 4.393 0.001 2 540 774 129 GLY HA3 H 4.393 0.001 2 541 774 129 GLY C C 173.692 0.011 1 542 774 129 GLY CA C 46.223 0.011 1 543 774 129 GLY N N 109.284 0.010 1 544 775 130 GLU H H 8.174 0.001 1 545 775 130 GLU HA H 4.196 0.001 1 546 775 130 GLU C C 175.921 0.011 1 547 775 130 GLU CA C 57.433 0.011 1 548 775 130 GLU N N 120.887 0.010 1 549 776 131 ARG H H 8.826 0.001 1 550 776 131 ARG HA H 4.802 0.001 1 551 776 131 ARG C C 175.417 0.011 1 552 776 131 ARG CA C 55.741 0.011 1 553 776 131 ARG N N 127.189 0.010 1 554 777 132 SER H H 8.786 0.001 1 555 777 132 SER HA H 4.895 0.001 1 556 777 132 SER C C 175.412 0.011 1 557 777 132 SER CA C 56.480 0.011 1 558 777 132 SER N N 121.674 0.010 1 559 778 133 THR C C 172.600 0.000 1 560 778 133 THR CA C 62.582 0.011 1 561 779 134 ARG H H 8.239 0.001 1 562 779 134 ARG HA H 4.670 0.001 1 563 779 134 ARG C C 172.649 0.011 1 564 779 134 ARG CA C 54.638 0.011 1 565 779 134 ARG N N 125.686 0.010 1 566 780 135 TRP H H 8.142 0.001 1 567 780 135 TRP HA H 5.270 0.001 1 568 780 135 TRP C C 175.528 0.011 1 569 780 135 TRP CA C 56.169 0.011 1 570 780 135 TRP N N 119.376 0.010 1 571 781 136 TYR H H 9.562 0.001 1 572 781 136 TYR HA H 4.759 0.001 1 573 781 136 TYR C C 174.581 0.011 1 574 781 136 TYR CA C 56.957 0.011 1 575 781 136 TYR N N 120.733 0.010 1 576 782 137 ASN H H 8.900 0.001 1 577 782 137 ASN HA H 5.018 0.001 1 578 782 137 ASN C C 174.010 0.011 1 579 782 137 ASN CA C 53.182 0.011 1 580 782 137 ASN N N 122.387 0.010 1 581 783 138 LEU H H 8.573 0.001 1 582 783 138 LEU HA H 4.470 0.001 1 583 783 138 LEU C C 174.349 0.011 1 584 783 138 LEU CA C 53.605 0.011 1 585 783 138 LEU N N 121.958 0.010 1 586 784 139 LEU H H 8.445 0.001 1 587 784 139 LEU HA H 4.783 0.001 1 588 784 139 LEU C C 175.686 0.011 1 589 784 139 LEU CA C 54.151 0.011 1 590 784 139 LEU N N 123.809 0.010 1 591 785 140 SER H H 8.286 0.001 1 592 785 140 SER HA H 4.500 0.001 1 593 785 140 SER CA C 59.741 0.011 1 594 785 140 SER N N 123.588 0.010 1 stop_ save_