data_25902 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; actinin-1 EF hand 3,4 Bound to Cav1.2 IQ Motif ; _BMRB_accession_number 25902 _BMRB_flat_file_name bmr25902.str _Entry_type original _Submission_date 2015-11-17 _Accession_date 2015-11-17 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; The following contains backbone and side chain assignments for Homo sapiens actinin-1 bound to calcium voltage gated channel 1.2 IQ Motif. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Turner Matthew L. . 2 Ames James B. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 357 "13C chemical shifts" 258 "15N chemical shifts" 64 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-27 original BMRB . stop_ _Original_release_date 2016-10-27 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Chemical shift assignments of the C-terminal EF-hand domain of alpha-actinin-1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26861220 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Turner Matthew L. . 2 Anderson David E. . 3 Rajan Sahana . . 4 Hell Johannes W. . 5 Ames James B. . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 10 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 219 _Page_last 222 _Year 2016 _Details . loop_ _Keyword CaV1.2 EF-hand IQ-Motif actinin-1 'calcium dependent inhibition' 'synaptic plasticity' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'actinin-1 EF bound to IQ' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'EF hand' $actinin-1 Cav1.2IQMotif $IQ-Motif 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_actinin-1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common actinin-1 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Voltage gated channel anchoring' 'actin binding' 'synapse organization' 'synaptic plasticity' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 89 _Mol_residue_sequence ; MGSSHHHHHSSGLVPRGSHM DTADQVMASFKILAGDKNYI TMDELRRELPPDQAEYCIAR MAPYTGPDSVPGALDYMSFS TALYGESDL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 804 MET 2 805 GLY 3 806 SER 4 807 SER 5 808 HIS 6 809 HIS 7 810 HIS 8 811 HIS 9 812 HIS 10 813 SER 11 814 SER 12 815 GLY 13 816 LEU 14 817 VAL 15 818 PRO 16 819 ARG 17 820 GLY 18 821 SER 19 822 HIS 20 823 MET 21 824 ASP 22 825 THR 23 826 ALA 24 827 ASP 25 828 GLN 26 829 VAL 27 830 MET 28 831 ALA 29 832 SER 30 833 PHE 31 834 LYS 32 835 ILE 33 836 LEU 34 837 ALA 35 838 GLY 36 839 ASP 37 840 LYS 38 841 ASN 39 842 TYR 40 843 ILE 41 844 THR 42 845 MET 43 846 ASP 44 847 GLU 45 848 LEU 46 849 ARG 47 850 ARG 48 851 GLU 49 852 LEU 50 853 PRO 51 854 PRO 52 855 ASP 53 856 GLN 54 857 ALA 55 858 GLU 56 859 TYR 57 860 CYS 58 861 ILE 59 862 ALA 60 863 ARG 61 864 MET 62 865 ALA 63 866 PRO 64 867 TYR 65 868 THR 66 869 GLY 67 870 PRO 68 871 ASP 69 872 SER 70 873 VAL 71 874 PRO 72 875 GLY 73 876 ALA 74 877 LEU 75 878 ASP 76 879 TYR 77 880 MET 78 881 SER 79 882 PHE 80 883 SER 81 884 THR 82 885 ALA 83 886 LEU 84 887 TYR 85 888 GLY 86 889 GLU 87 890 SER 88 891 ASP 89 892 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_IQ-Motif _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common IQ-Motif _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 25 _Mol_residue_sequence ; TVGKFYATFLIQEYFRKFKK RKEQG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1644 THR 2 1645 VAL 3 1646 GLY 4 1647 LYS 5 1648 PHE 6 1649 TYR 7 1650 ALA 8 1651 THR 9 1652 PHE 10 1653 LEU 11 1654 ILE 12 1655 GLN 13 1656 GLU 14 1657 TYR 15 1658 PHE 16 1659 ARG 17 1660 LYS 18 1661 PHE 19 1662 LYS 20 1663 LYS 21 1664 ARG 22 1665 LYS 23 1666 GLU 24 1667 GLN 25 1668 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $actinin-1 Human 9606 Eukaryota Metazoa Homo sapiens ACTN1 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 $actinin-1 'recombinant technology' . Escherichia coli C41(DE3) pET15-b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'actinin-1 EF hand c-lobe bound to Cav1.2 IQ-Motif' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $actinin-1 0.5 mM '[U-99% 15N]' $IQ-Motif 0.5 mM 'natural abundance' Tris 20 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'actinin-1 EF hand 3,4 bound to Cav1.2 IQ-Motif' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $actinin-1 0.5 mM '[U-99% 13C; U-99% 15N]' $IQ-Motif 0.5 mM 'natural abundance' Tris 20 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details 'actinin-1 EF hand 3,4 bound to Cav1.2 IQ-Motif' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $actinin-1 0.5 mM '[U-99% 13C; U-99% 15N]' $IQ-Motif 0.5 mM 'natural abundance' Tris 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 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_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 1.2 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details 'Sparky NMRFAM Suite 1.2' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'Bruker Avance III Spectrometer with Cryoprobe' 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_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_3D_1H-15N_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.020 . M pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 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_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HNCA' '3D CBCA(CO)NH' '2D 1H-1H NOESY' '3D HNCO' '3D HBHA(CO)NH' '3D H(CCO)NH' '2D 1H-13C HSQC' '3D 1H-15N TOCSY' '3D 1H-13C NOESY aromatic' '3D 1H-13C NOESY aliphatic' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'EF hand' _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 1 824 21 ASP H H 8.351 0.01 1 2 824 21 ASP HA H 4.619 0.01 1 3 824 21 ASP HB2 H 2.724 0.01 2 4 824 21 ASP HB3 H 2.737 0.01 2 5 824 21 ASP C C 177.112 0.00 1 6 824 21 ASP CA C 55.183 0.09 1 7 824 21 ASP CB C 40.996 0.10 1 8 824 21 ASP N N 121.417 0.02 1 9 825 22 THR H H 8.047 0.01 1 10 825 22 THR HA H 4.274 0.03 1 11 825 22 THR HB H 4.204 0.02 1 12 825 22 THR HG2 H 1.207 0.01 1 13 825 22 THR C C 175.406 0.02 1 14 825 22 THR CA C 63.695 0.19 1 15 825 22 THR CB C 69.460 0.07 1 16 825 22 THR CG2 C 21.814 0.38 1 17 825 22 THR N N 114.244 0.10 1 18 826 23 ALA H H 8.327 0.01 1 19 826 23 ALA HA H 3.961 0.01 1 20 826 23 ALA HB H 1.379 0.01 1 21 826 23 ALA C C 178.714 0.00 1 22 826 23 ALA CA C 54.745 0.06 1 23 826 23 ALA CB C 18.404 0.06 1 24 826 23 ALA N N 124.280 0.07 1 25 827 24 ASP H H 8.199 0.01 1 26 827 24 ASP HA H 4.420 0.01 1 27 827 24 ASP HB2 H 2.727 0.02 2 28 827 24 ASP HB3 H 2.716 0.01 2 29 827 24 ASP C C 178.748 0.04 1 30 827 24 ASP CA C 56.881 0.13 1 31 827 24 ASP CB C 40.588 0.06 1 32 827 24 ASP N N 117.616 0.03 1 33 828 25 GLN H H 8.068 0.01 1 34 828 25 GLN HA H 4.142 0.01 1 35 828 25 GLN HB2 H 2.138 0.02 2 36 828 25 GLN HB3 H 2.122 0.00 2 37 828 25 GLN HG2 H 2.398 0.03 2 38 828 25 GLN HG3 H 2.326 0.01 2 39 828 25 GLN C C 178.809 0.01 1 40 828 25 GLN CA C 58.311 0.06 1 41 828 25 GLN CB C 28.773 0.04 1 42 828 25 GLN CG C 34.208 0.06 1 43 828 25 GLN N N 119.570 0.08 1 44 829 26 VAL H H 8.024 0.01 1 45 829 26 VAL HA H 4.325 0.01 1 46 829 26 VAL HB H 2.000 0.00 1 47 829 26 VAL HG1 H 0.871 0.03 2 48 829 26 VAL HG2 H 0.875 0.01 2 49 829 26 VAL C C 177.308 0.01 1 50 829 26 VAL CA C 66.641 0.06 1 51 829 26 VAL CB C 31.175 0.11 1 52 829 26 VAL CG1 C 22.833 0.11 2 53 829 26 VAL CG2 C 21.154 0.14 2 54 829 26 VAL N N 122.831 0.26 1 55 830 27 MET H H 8.172 0.00 1 56 830 27 MET HA H 4.374 0.01 1 57 830 27 MET HB2 H 2.299 0.03 2 58 830 27 MET HB3 H 2.296 0.00 2 59 830 27 MET HG2 H 2.870 0.00 2 60 830 27 MET HG3 H 2.878 0.00 2 61 830 27 MET HE H 2.296 0.00 1 62 830 27 MET C C 178.593 0.00 1 63 830 27 MET CA C 59.247 0.06 1 64 830 27 MET CB C 31.862 0.29 1 65 830 27 MET CG C 30.944 0.00 1 66 830 27 MET CE C 17.883 0.00 1 67 830 27 MET N N 119.333 0.02 1 68 831 28 ALA H H 8.006 0.01 1 69 831 28 ALA HA H 4.047 0.01 1 70 831 28 ALA HB H 1.455 0.02 1 71 831 28 ALA C C 180.561 0.00 1 72 831 28 ALA CA C 54.761 0.28 1 73 831 28 ALA CB C 17.990 0.06 1 74 831 28 ALA N N 119.968 0.11 1 75 832 29 SER H H 7.582 0.01 1 76 832 29 SER HA H 4.094 0.03 1 77 832 29 SER HB2 H 3.929 0.01 2 78 832 29 SER HB3 H 3.606 0.01 2 79 832 29 SER C C 176.100 0.03 1 80 832 29 SER CA C 62.509 0.06 1 81 832 29 SER N N 115.495 0.06 1 82 833 30 PHE H H 7.916 0.01 1 83 833 30 PHE HA H 3.878 0.01 1 84 833 30 PHE HB2 H 2.685 0.01 2 85 833 30 PHE HB3 H 2.260 0.01 2 86 833 30 PHE HD1 H 7.009 0.00 3 87 833 30 PHE HD2 H 7.009 0.00 3 88 833 30 PHE C C 176.678 0.00 1 89 833 30 PHE CA C 61.897 0.04 1 90 833 30 PHE CB C 38.883 0.07 1 91 833 30 PHE N N 121.327 0.10 1 92 834 31 LYS H H 7.442 0.01 1 93 834 31 LYS HA H 3.437 0.01 1 94 834 31 LYS HB2 H 1.957 0.02 2 95 834 31 LYS HB3 H 1.720 0.01 2 96 834 31 LYS HG2 H 1.492 0.01 2 97 834 31 LYS HG3 H 1.363 0.01 2 98 834 31 LYS HD2 H 1.472 0.02 2 99 834 31 LYS HD3 H 1.478 0.02 2 100 834 31 LYS HE2 H 2.889 0.00 2 101 834 31 LYS HE3 H 2.889 0.00 2 102 834 31 LYS C C 178.467 0.02 1 103 834 31 LYS CA C 60.145 0.06 1 104 834 31 LYS CB C 32.038 0.12 1 105 834 31 LYS CG C 25.640 0.05 1 106 834 31 LYS CD C 29.731 0.02 1 107 834 31 LYS CE C 42.083 0.02 1 108 834 31 LYS N N 118.753 0.09 1 109 835 32 ILE H H 7.286 0.01 1 110 835 32 ILE HA H 3.729 0.01 1 111 835 32 ILE HB H 1.899 0.01 1 112 835 32 ILE HG12 H 1.186 0.01 2 113 835 32 ILE HG13 H 1.162 0.01 2 114 835 32 ILE HG2 H 0.794 0.01 1 115 835 32 ILE HD1 H 0.839 0.01 1 116 835 32 ILE C C 180.678 0.00 1 117 835 32 ILE CA C 64.433 0.09 1 118 835 32 ILE CB C 37.623 0.07 1 119 835 32 ILE CG1 C 28.995 0.15 1 120 835 32 ILE CG2 C 17.128 0.10 1 121 835 32 ILE CD1 C 13.252 0.30 1 122 835 32 ILE N N 118.675 0.08 1 123 836 33 LEU H H 7.937 0.01 1 124 836 33 LEU HA H 3.822 0.01 1 125 836 33 LEU HB2 H 1.693 0.01 2 126 836 33 LEU HB3 H 1.353 0.01 2 127 836 33 LEU HG H 1.341 0.00 1 128 836 33 LEU HD1 H 0.695 0.01 2 129 836 33 LEU HD2 H 0.626 0.03 2 130 836 33 LEU C C 177.108 0.01 1 131 836 33 LEU CA C 57.904 0.10 1 132 836 33 LEU CB C 41.614 0.06 1 133 836 33 LEU CG C 26.678 0.10 1 134 836 33 LEU CD1 C 24.626 0.00 2 135 836 33 LEU CD2 C 23.645 0.05 2 136 836 33 LEU N N 122.441 0.07 1 137 837 34 ALA H H 7.942 0.00 1 138 837 34 ALA HA H 4.170 0.01 1 139 837 34 ALA HB H 1.354 0.01 1 140 837 34 ALA C C 179.181 0.01 1 141 837 34 ALA CA C 51.783 0.11 1 142 837 34 ALA CB C 19.224 0.08 1 143 837 34 ALA N N 118.853 0.07 1 144 838 35 GLY H H 8.016 0.01 1 145 838 35 GLY HA2 H 3.826 0.01 2 146 838 35 GLY HA3 H 3.833 0.00 2 147 838 35 GLY CA C 47.421 0.05 1 148 838 35 GLY N N 111.000 0.08 1 149 839 36 ASP H H 8.611 0.01 1 150 839 36 ASP HA H 4.175 0.01 1 151 839 36 ASP HB2 H 2.827 0.00 2 152 839 36 ASP HB3 H 2.835 0.00 2 153 839 36 ASP C C 175.470 0.00 1 154 839 36 ASP CA C 55.753 0.04 1 155 839 36 ASP CB C 39.406 0.01 1 156 839 36 ASP N N 114.419 0.04 1 157 840 37 LYS H H 6.997 0.02 1 158 840 37 LYS HA H 4.272 0.02 1 159 840 37 LYS HB2 H 2.030 0.01 2 160 840 37 LYS HB3 H 1.074 0.01 2 161 840 37 LYS HG2 H 1.563 0.01 2 162 840 37 LYS HG3 H 1.353 0.01 2 163 840 37 LYS C C 176.403 0.01 1 164 840 37 LYS CA C 56.594 0.02 1 165 840 37 LYS CB C 33.725 0.07 1 166 840 37 LYS CG C 23.450 0.06 1 167 840 37 LYS N N 116.429 0.07 1 168 841 38 ASN H H 8.864 0.01 1 169 841 38 ASN HA H 4.499 0.01 1 170 841 38 ASN HB2 H 2.953 0.02 2 171 841 38 ASN HB3 H 2.662 0.00 2 172 841 38 ASN C C 171.278 0.00 1 173 841 38 ASN CA C 53.873 0.08 1 174 841 38 ASN CB C 38.953 0.05 1 175 841 38 ASN N N 117.086 0.06 1 176 842 39 TYR H H 6.655 0.01 1 177 842 39 TYR HA H 4.759 0.02 1 178 842 39 TYR HB2 H 2.693 0.01 2 179 842 39 TYR HB3 H 1.418 0.03 2 180 842 39 TYR HD1 H 6.235 0.04 3 181 842 39 TYR HD2 H 6.235 0.04 3 182 842 39 TYR C C 171.379 0.00 1 183 842 39 TYR CA C 54.677 0.13 1 184 842 39 TYR CB C 40.007 0.09 1 185 842 39 TYR N N 112.842 0.02 1 186 843 40 ILE H H 8.888 0.00 1 187 843 40 ILE HA H 4.992 0.01 1 188 843 40 ILE HB H 1.572 0.00 1 189 843 40 ILE HG12 H 1.896 0.02 2 190 843 40 ILE HG13 H 1.896 0.02 2 191 843 40 ILE HG2 H 0.766 0.02 1 192 843 40 ILE HD1 H 0.723 0.00 1 193 843 40 ILE C C 173.747 0.01 1 194 843 40 ILE CA C 58.856 0.07 1 195 843 40 ILE CB C 43.194 0.05 1 196 843 40 ILE CG1 C 29.885 0.00 1 197 843 40 ILE CG2 C 16.647 0.13 1 198 843 40 ILE CD1 C 14.485 0.02 1 199 843 40 ILE N N 116.796 0.05 1 200 844 41 THR H H 9.187 0.00 1 201 844 41 THR HA H 5.404 0.01 1 202 844 41 THR HB H 4.706 0.01 1 203 844 41 THR HG2 H 1.271 0.01 1 204 844 41 THR C C 176.173 0.00 1 205 844 41 THR CA C 60.224 0.10 1 206 844 41 THR CB C 71.135 0.06 1 207 844 41 THR CG2 C 22.007 0.08 1 208 844 41 THR N N 117.727 0.05 1 209 845 42 MET H H 8.592 0.00 1 210 845 42 MET HA H 3.829 0.01 1 211 845 42 MET HB2 H 2.920 0.01 2 212 845 42 MET HB3 H 2.505 0.00 2 213 845 42 MET HG2 H 2.165 0.02 2 214 845 42 MET HG3 H 2.017 0.01 2 215 845 42 MET HE H 2.125 0.00 1 216 845 42 MET C C 177.726 0.01 1 217 845 42 MET CA C 60.357 0.09 1 218 845 42 MET CB C 32.863 0.04 1 219 845 42 MET CG C 32.743 0.25 1 220 845 42 MET CE C 16.143 0.00 1 221 845 42 MET N N 119.733 0.03 1 222 846 43 ASP H H 8.373 0.01 1 223 846 43 ASP HA H 4.284 0.01 1 224 846 43 ASP HB2 H 2.560 0.02 2 225 846 43 ASP HB3 H 2.561 0.02 2 226 846 43 ASP C C 178.883 0.01 1 227 846 43 ASP CA C 57.432 0.11 1 228 846 43 ASP CB C 40.477 0.06 1 229 846 43 ASP N N 116.401 0.06 1 230 847 44 GLU H H 7.799 0.00 1 231 847 44 GLU HA H 3.843 0.01 1 232 847 44 GLU HB2 H 2.411 0.01 2 233 847 44 GLU HB3 H 1.792 0.02 2 234 847 44 GLU HG2 H 2.281 0.02 2 235 847 44 GLU HG3 H 2.231 0.02 2 236 847 44 GLU C C 178.911 0.01 1 237 847 44 GLU CA C 59.807 0.08 1 238 847 44 GLU CB C 29.638 0.13 1 239 847 44 GLU CG C 37.798 0.05 1 240 847 44 GLU N N 120.449 0.04 1 241 848 45 LEU H H 7.783 0.01 1 242 848 45 LEU HA H 3.842 0.02 1 243 848 45 LEU HB2 H 2.023 0.01 2 244 848 45 LEU HB3 H 1.173 0.01 2 245 848 45 LEU HG H 1.615 0.02 1 246 848 45 LEU HD1 H 0.832 0.01 2 247 848 45 LEU HD2 H 0.708 0.00 2 248 848 45 LEU C C 178.022 0.01 1 249 848 45 LEU CA C 58.826 0.05 1 250 848 45 LEU CB C 42.591 0.11 1 251 848 45 LEU CG C 27.620 0.05 1 252 848 45 LEU CD1 C 24.516 0.00 2 253 848 45 LEU CD2 C 24.516 0.00 2 254 848 45 LEU N N 118.324 0.11 1 255 849 46 ARG H H 8.006 0.01 1 256 849 46 ARG HA H 3.930 0.01 1 257 849 46 ARG HB2 H 1.795 0.02 2 258 849 46 ARG HB3 H 1.788 0.01 2 259 849 46 ARG HG2 H 1.467 0.00 2 260 849 46 ARG HG3 H 1.480 0.02 2 261 849 46 ARG HD2 H 3.049 0.01 2 262 849 46 ARG HD3 H 3.047 0.00 2 263 849 46 ARG C C 177.953 0.00 1 264 849 46 ARG CA C 58.577 0.09 1 265 849 46 ARG CB C 29.764 0.09 1 266 849 46 ARG CG C 26.559 0.00 1 267 849 46 ARG CD C 43.202 0.03 1 268 849 46 ARG N N 113.868 0.09 1 269 850 47 ARG H H 7.786 0.01 1 270 850 47 ARG HA H 4.196 0.01 1 271 850 47 ARG HB2 H 1.938 0.01 2 272 850 47 ARG HB3 H 1.939 0.01 2 273 850 47 ARG HG2 H 1.695 0.01 2 274 850 47 ARG HG3 H 1.536 0.01 2 275 850 47 ARG HD2 H 3.190 0.01 2 276 850 47 ARG HD3 H 3.191 0.00 2 277 850 47 ARG C C 178.164 0.02 1 278 850 47 ARG CA C 58.199 0.07 1 279 850 47 ARG CB C 31.078 0.07 1 280 850 47 ARG CG C 27.668 0.05 1 281 850 47 ARG CD C 43.493 0.03 1 282 850 47 ARG N N 117.911 0.05 1 283 851 48 GLU H H 7.509 0.01 1 284 851 48 GLU HA H 4.525 0.00 1 285 851 48 GLU HB2 H 2.200 0.01 2 286 851 48 GLU HB3 H 1.585 0.02 2 287 851 48 GLU HG2 H 2.603 0.01 2 288 851 48 GLU HG3 H 2.603 0.01 2 289 851 48 GLU C C 176.375 0.01 1 290 851 48 GLU CA C 56.408 0.05 1 291 851 48 GLU CB C 31.405 0.07 1 292 851 48 GLU CG C 34.692 0.07 1 293 851 48 GLU N N 114.273 0.08 1 294 852 49 LEU H H 7.727 0.01 1 295 852 49 LEU HA H 4.904 0.00 1 296 852 49 LEU HB2 H 1.707 0.00 2 297 852 49 LEU HB3 H 1.711 0.00 2 298 852 49 LEU HG H 1.299 0.00 1 299 852 49 LEU HD1 H 0.848 0.00 2 300 852 49 LEU HD2 H 0.848 0.00 2 301 852 49 LEU C C 173.652 0.00 1 302 852 49 LEU CA C 51.636 0.06 1 303 852 49 LEU CB C 42.806 0.00 1 304 852 49 LEU N N 117.772 0.07 1 305 854 51 PRO HA H 4.239 0.01 1 306 854 51 PRO HB2 H 2.445 0.02 2 307 854 51 PRO HB3 H 2.036 0.01 2 308 854 51 PRO HG2 H 2.151 0.00 2 309 854 51 PRO HG3 H 2.128 0.01 2 310 854 51 PRO HD2 H 3.855 0.00 2 311 854 51 PRO HD3 H 3.771 0.00 2 312 854 51 PRO C C 177.875 0.00 1 313 854 51 PRO CA C 66.339 0.11 1 314 854 51 PRO CB C 32.134 0.11 1 315 854 51 PRO CG C 27.386 0.09 1 316 854 51 PRO CD C 49.867 0.00 1 317 855 52 ASP H H 8.677 0.01 1 318 855 52 ASP HA H 4.264 0.01 1 319 855 52 ASP HB2 H 2.734 0.01 2 320 855 52 ASP HB3 H 2.520 0.02 2 321 855 52 ASP C C 178.992 0.01 1 322 855 52 ASP CA C 56.750 0.07 1 323 855 52 ASP CB C 38.801 0.03 1 324 855 52 ASP N N 114.523 0.04 1 325 856 53 GLN H H 7.262 0.01 1 326 856 53 GLN HA H 3.588 0.02 1 327 856 53 GLN HB2 H 1.703 0.02 2 328 856 53 GLN HB3 H 1.687 0.02 2 329 856 53 GLN HG2 H 1.971 0.00 2 330 856 53 GLN HG3 H 1.940 0.02 2 331 856 53 GLN C C 178.069 0.01 1 332 856 53 GLN CA C 58.403 0.13 1 333 856 53 GLN CB C 28.672 0.09 1 334 856 53 GLN CG C 33.408 0.00 1 335 856 53 GLN N N 121.628 0.17 1 336 857 54 ALA H H 8.750 0.01 1 337 857 54 ALA HA H 3.733 0.01 1 338 857 54 ALA HB H 1.284 0.01 1 339 857 54 ALA C C 179.242 0.00 1 340 857 54 ALA CA C 56.385 0.06 1 341 857 54 ALA CB C 17.956 0.10 1 342 857 54 ALA N N 122.496 0.07 1 343 858 55 GLU H H 8.278 0.01 1 344 858 55 GLU HA H 3.978 0.01 1 345 858 55 GLU HB2 H 2.097 0.02 2 346 858 55 GLU HB3 H 1.981 0.02 2 347 858 55 GLU HG2 H 2.531 0.02 2 348 858 55 GLU HG3 H 2.409 0.00 2 349 858 55 GLU C C 179.134 0.00 1 350 858 55 GLU CA C 58.778 0.07 1 351 858 55 GLU CB C 28.448 0.07 1 352 858 55 GLU CG C 35.696 0.02 1 353 858 55 GLU N N 114.053 0.01 1 354 859 56 TYR H H 7.535 0.00 1 355 859 56 TYR HA H 4.117 0.01 1 356 859 56 TYR HB2 H 3.319 0.01 2 357 859 56 TYR HB3 H 3.273 0.01 2 358 859 56 TYR HD1 H 7.241 0.00 3 359 859 56 TYR HD2 H 7.241 0.00 3 360 859 56 TYR C C 177.626 0.01 1 361 859 56 TYR CA C 61.232 0.09 1 362 859 56 TYR CB C 38.735 0.07 1 363 859 56 TYR N N 120.711 0.06 1 364 860 57 CYS H H 7.946 0.00 1 365 860 57 CYS HA H 3.975 0.02 1 366 860 57 CYS HB2 H 3.120 0.01 2 367 860 57 CYS HB3 H 2.428 0.01 2 368 860 57 CYS C C 176.286 0.01 1 369 860 57 CYS CA C 64.438 0.06 1 370 860 57 CYS CB C 27.256 0.05 1 371 860 57 CYS N N 115.670 0.03 1 372 861 58 ILE H H 8.345 0.01 1 373 861 58 ILE HA H 3.308 0.01 1 374 861 58 ILE HB H 1.705 0.01 1 375 861 58 ILE HG12 H 1.881 0.01 2 376 861 58 ILE HG13 H 1.892 0.01 2 377 861 58 ILE HG2 H 0.885 0.01 1 378 861 58 ILE HD1 H 0.803 0.01 1 379 861 58 ILE C C 176.979 0.00 1 380 861 58 ILE CA C 65.367 0.07 1 381 861 58 ILE CB C 38.607 0.04 1 382 861 58 ILE CG1 C 31.677 0.11 1 383 861 58 ILE CG2 C 16.885 0.03 1 384 861 58 ILE CD1 C 13.904 0.06 1 385 861 58 ILE N N 119.213 0.04 1 386 862 59 ALA H H 7.422 0.01 1 387 862 59 ALA HA H 4.132 0.01 1 388 862 59 ALA HB H 1.381 0.01 1 389 862 59 ALA C C 178.708 0.01 1 390 862 59 ALA CA C 53.584 0.09 1 391 862 59 ALA CB C 18.608 0.09 1 392 862 59 ALA N N 117.044 0.08 1 393 863 60 ARG H H 7.240 0.00 1 394 863 60 ARG HA H 4.262 0.01 1 395 863 60 ARG HB2 H 2.072 0.00 2 396 863 60 ARG HB3 H 1.367 0.02 2 397 863 60 ARG HG2 H 1.285 0.00 2 398 863 60 ARG HG3 H 1.292 0.00 2 399 863 60 ARG HD2 H 2.739 0.01 2 400 863 60 ARG HD3 H 2.378 0.01 2 401 863 60 ARG C C 174.945 0.00 1 402 863 60 ARG CA C 55.524 0.08 1 403 863 60 ARG CB C 31.490 0.07 1 404 863 60 ARG CG C 27.596 0.07 1 405 863 60 ARG CD C 42.280 0.05 1 406 863 60 ARG N N 115.747 0.04 1 407 864 61 MET H H 7.296 0.01 1 408 864 61 MET HA H 4.509 0.02 1 409 864 61 MET HB2 H 1.634 0.02 2 410 864 61 MET HB3 H 1.600 0.01 2 411 864 61 MET HG2 H 2.640 0.02 2 412 864 61 MET HG3 H 2.208 0.01 2 413 864 61 MET HE H 1.008 0.01 1 414 864 61 MET C C 173.887 0.01 1 415 864 61 MET CA C 55.463 0.08 1 416 864 61 MET CB C 35.547 0.29 1 417 864 61 MET CG C 34.798 0.03 1 418 864 61 MET CE C 18.104 0.00 1 419 864 61 MET N N 118.532 0.07 1 420 865 62 ALA H H 8.666 0.01 1 421 865 62 ALA HA H 4.329 0.00 1 422 865 62 ALA HB H 1.375 0.01 1 423 865 62 ALA C C 174.391 0.00 1 424 865 62 ALA CA C 49.586 0.05 1 425 865 62 ALA CB C 18.105 0.08 1 426 865 62 ALA N N 125.900 0.06 1 427 866 63 PRO HA H 4.513 0.01 1 428 866 63 PRO HB2 H 2.357 0.00 2 429 866 63 PRO HB3 H 1.680 0.02 2 430 866 63 PRO HG2 H 1.940 0.01 2 431 866 63 PRO HG3 H 1.958 0.03 2 432 866 63 PRO HD2 H 3.531 0.01 2 433 866 63 PRO HD3 H 3.532 0.01 2 434 866 63 PRO C C 176.037 0.00 1 435 866 63 PRO CA C 62.930 0.07 1 436 866 63 PRO CB C 31.875 0.11 1 437 866 63 PRO CG C 27.669 0.08 1 438 866 63 PRO CD C 50.165 0.01 1 439 867 64 TYR H H 8.121 0.00 1 440 867 64 TYR HA H 4.731 0.01 1 441 867 64 TYR HB2 H 2.449 0.02 2 442 867 64 TYR HB3 H 2.326 0.02 2 443 867 64 TYR HD1 H 6.700 0.12 3 444 867 64 TYR HD2 H 6.700 0.12 3 445 867 64 TYR C C 176.190 0.00 1 446 867 64 TYR CA C 57.079 0.09 1 447 867 64 TYR CB C 39.145 0.08 1 448 867 64 TYR N N 122.811 0.05 1 449 868 65 THR H H 8.427 0.01 1 450 868 65 THR HA H 4.326 0.02 1 451 868 65 THR HB H 4.215 0.00 1 452 868 65 THR HG2 H 1.205 0.01 1 453 868 65 THR C C 173.639 0.01 1 454 868 65 THR CA C 60.204 0.03 1 455 868 65 THR CB C 68.660 0.13 1 456 868 65 THR CG2 C 21.711 0.03 1 457 868 65 THR N N 119.691 0.04 1 458 869 66 GLY H H 5.376 0.01 1 459 869 66 GLY HA2 H 4.045 0.01 2 460 869 66 GLY HA3 H 3.555 0.01 2 461 869 66 GLY C C 171.690 0.00 1 462 869 66 GLY CA C 44.872 0.09 1 463 869 66 GLY N N 105.761 0.06 1 464 870 67 PRO HA H 4.336 0.01 1 465 870 67 PRO HB2 H 2.310 0.01 2 466 870 67 PRO HB3 H 2.018 0.01 2 467 870 67 PRO HG2 H 2.047 0.00 2 468 870 67 PRO HG3 H 2.044 0.01 2 469 870 67 PRO HD2 H 3.631 0.02 2 470 870 67 PRO HD3 H 3.614 0.01 2 471 870 67 PRO C C 176.546 0.00 1 472 870 67 PRO CA C 64.741 0.07 1 473 870 67 PRO CB C 31.463 0.07 1 474 870 67 PRO CG C 27.243 0.09 1 475 870 67 PRO CD C 49.658 0.06 1 476 871 68 ASP H H 9.269 0.00 1 477 871 68 ASP HA H 4.614 0.00 1 478 871 68 ASP HB2 H 3.100 0.02 2 479 871 68 ASP HB3 H 2.721 0.01 2 480 871 68 ASP C C 174.789 0.00 1 481 871 68 ASP CA C 52.685 0.05 1 482 871 68 ASP CB C 38.833 0.07 1 483 871 68 ASP N N 115.999 0.08 1 484 872 69 SER H H 7.435 0.01 1 485 872 69 SER HA H 3.438 0.01 1 486 872 69 SER HB2 H 3.697 0.02 2 487 872 69 SER HB3 H 3.713 0.00 2 488 872 69 SER C C 173.264 0.01 1 489 872 69 SER CA C 59.282 0.07 1 490 872 69 SER CB C 63.111 0.08 1 491 872 69 SER N N 112.187 0.09 1 492 873 70 VAL H H 6.359 0.01 1 493 873 70 VAL HA H 4.737 0.00 1 494 873 70 VAL HB H 2.245 0.00 1 495 873 70 VAL HG1 H 0.946 0.00 2 496 873 70 VAL HG2 H 0.582 0.00 2 497 873 70 VAL CA C 57.879 0.06 1 498 873 70 VAL CB C 32.921 0.07 1 499 873 70 VAL CG1 C 21.657 0.02 2 500 873 70 VAL CG2 C 18.093 0.02 2 501 873 70 VAL N N 113.521 0.04 1 502 874 71 PRO HA H 4.318 0.01 1 503 874 71 PRO HB2 H 2.295 0.01 2 504 874 71 PRO HB3 H 1.845 0.01 2 505 874 71 PRO HG2 H 2.107 0.01 2 506 874 71 PRO HG3 H 1.924 0.00 2 507 874 71 PRO HD2 H 3.619 0.00 2 508 874 71 PRO HD3 H 3.595 0.00 2 509 874 71 PRO C C 177.755 0.00 1 510 874 71 PRO CA C 64.281 0.06 1 511 874 71 PRO CB C 31.325 0.14 1 512 874 71 PRO CG C 27.882 0.17 1 513 874 71 PRO CD C 50.359 0.00 1 514 875 72 GLY H H 8.766 0.01 1 515 875 72 GLY HA2 H 4.349 0.01 2 516 875 72 GLY HA3 H 3.690 0.01 2 517 875 72 GLY C C 174.163 0.01 1 518 875 72 GLY CA C 45.514 0.08 1 519 875 72 GLY N N 112.263 0.04 1 520 876 73 ALA H H 7.737 0.00 1 521 876 73 ALA HA H 4.071 0.01 1 522 876 73 ALA HB H 1.123 0.01 1 523 876 73 ALA C C 177.104 0.00 1 524 876 73 ALA CA C 53.141 0.09 1 525 876 73 ALA CB C 20.794 0.08 1 526 876 73 ALA N N 120.322 0.09 1 527 877 74 LEU H H 9.602 0.00 1 528 877 74 LEU HA H 4.782 0.02 1 529 877 74 LEU HB2 H 1.866 0.02 2 530 877 74 LEU HB3 H 1.112 0.01 2 531 877 74 LEU HG H 1.094 0.03 1 532 877 74 LEU HD1 H 0.747 0.03 2 533 877 74 LEU HD2 H 0.667 0.01 2 534 877 74 LEU C C 175.642 0.00 1 535 877 74 LEU CA C 54.145 0.15 1 536 877 74 LEU CB C 44.492 0.08 1 537 877 74 LEU CG C 27.711 0.03 1 538 877 74 LEU CD1 C 23.248 0.01 2 539 877 74 LEU CD2 C 22.447 0.19 2 540 877 74 LEU N N 125.558 0.04 1 541 878 75 ASP H H 9.073 0.01 1 542 878 75 ASP HA H 4.883 0.02 1 543 878 75 ASP HB2 H 2.996 0.01 2 544 878 75 ASP HB3 H 2.387 0.02 2 545 878 75 ASP C C 176.964 0.00 1 546 878 75 ASP CA C 51.764 0.08 1 547 878 75 ASP CB C 40.933 0.06 1 548 878 75 ASP N N 119.880 0.09 1 549 879 76 TYR H H 7.435 0.01 1 550 879 76 TYR HA H 4.449 0.01 1 551 879 76 TYR HB2 H 2.841 0.01 2 552 879 76 TYR HB3 H 2.332 0.01 2 553 879 76 TYR C C 176.948 0.00 1 554 879 76 TYR CA C 58.907 0.23 1 555 879 76 TYR CB C 37.043 0.04 1 556 879 76 TYR N N 125.993 0.08 1 557 880 77 MET H H 7.679 0.01 1 558 880 77 MET HA H 4.696 0.02 1 559 880 77 MET HB2 H 2.255 0.02 2 560 880 77 MET HB3 H 2.072 0.01 2 561 880 77 MET HG2 H 2.586 0.00 2 562 880 77 MET HG3 H 2.571 0.01 2 563 880 77 MET HE H 2.146 0.00 1 564 880 77 MET C C 178.282 0.01 1 565 880 77 MET CA C 56.719 0.11 1 566 880 77 MET CB C 29.788 0.10 1 567 880 77 MET CG C 32.241 0.02 1 568 880 77 MET CE C 17.657 0.00 1 569 880 77 MET N N 121.583 0.08 1 570 881 78 SER H H 7.766 0.01 1 571 881 78 SER HA H 4.422 0.01 1 572 881 78 SER HB2 H 4.134 0.01 2 573 881 78 SER HB3 H 3.904 0.02 2 574 881 78 SER C C 175.089 0.01 1 575 881 78 SER CA C 59.584 0.14 1 576 881 78 SER CB C 63.720 0.03 1 577 881 78 SER N N 114.554 0.06 1 578 882 79 PHE H H 7.430 0.02 1 579 882 79 PHE HA H 4.552 0.02 1 580 882 79 PHE HB2 H 3.181 0.01 2 581 882 79 PHE HB3 H 3.016 0.02 2 582 882 79 PHE HD1 H 7.050 0.00 3 583 882 79 PHE HD2 H 7.035 0.01 3 584 882 79 PHE C C 175.363 0.00 1 585 882 79 PHE CA C 59.104 0.08 1 586 882 79 PHE CB C 40.495 0.05 1 587 882 79 PHE N N 123.286 0.07 1 588 883 80 SER H H 7.777 0.01 1 589 883 80 SER HA H 4.138 0.02 1 590 883 80 SER HB2 H 3.950 0.01 2 591 883 80 SER HB3 H 3.872 0.01 2 592 883 80 SER C C 174.721 0.00 1 593 883 80 SER CA C 59.779 0.15 1 594 883 80 SER CB C 63.516 0.02 1 595 883 80 SER N N 116.485 0.11 1 596 884 81 THR H H 7.722 0.01 1 597 884 81 THR HA H 4.035 0.01 1 598 884 81 THR HB H 4.246 0.00 1 599 884 81 THR HG2 H 1.189 0.01 1 600 884 81 THR C C 175.453 0.00 1 601 884 81 THR CA C 63.676 0.10 1 602 884 81 THR CB C 68.794 0.03 1 603 884 81 THR CG2 C 21.922 0.00 1 604 884 81 THR N N 113.656 0.04 1 605 885 82 ALA H H 7.682 0.01 1 606 885 82 ALA HA H 4.206 0.01 1 607 885 82 ALA HB H 1.198 0.01 1 608 885 82 ALA C C 178.029 0.01 1 609 885 82 ALA CA C 52.968 0.08 1 610 885 82 ALA CB C 18.754 0.13 1 611 885 82 ALA N N 124.608 0.03 1 612 886 83 LEU H H 7.699 0.02 1 613 886 83 LEU HA H 4.019 0.01 1 614 886 83 LEU HB2 H 1.384 0.01 2 615 886 83 LEU HB3 H 1.269 0.02 2 616 886 83 LEU HG H 1.473 0.02 1 617 886 83 LEU HD1 H 0.679 0.03 2 618 886 83 LEU HD2 H 0.601 0.02 2 619 886 83 LEU C C 177.513 0.00 1 620 886 83 LEU CA C 55.829 0.06 1 621 886 83 LEU CB C 42.122 0.10 1 622 886 83 LEU CG C 26.680 0.23 1 623 886 83 LEU CD1 C 24.995 0.10 2 624 886 83 LEU CD2 C 23.569 0.12 2 625 886 83 LEU N N 119.284 0.04 1 626 887 84 TYR H H 7.910 0.02 1 627 887 84 TYR HA H 4.441 0.01 1 628 887 84 TYR HB2 H 3.022 0.01 2 629 887 84 TYR HB3 H 2.817 0.02 2 630 887 84 TYR HD1 H 7.037 0.01 3 631 887 84 TYR HD2 H 7.037 0.01 3 632 887 84 TYR C C 176.508 0.01 1 633 887 84 TYR CA C 58.451 0.05 1 634 887 84 TYR CB C 38.366 0.10 1 635 887 84 TYR N N 118.544 0.06 1 636 888 85 GLY H H 8.052 0.01 1 637 888 85 GLY HA2 H 3.987 0.00 2 638 888 85 GLY HA3 H 3.901 0.02 2 639 888 85 GLY C C 174.047 0.01 1 640 888 85 GLY CA C 45.250 0.10 1 641 888 85 GLY N N 109.475 0.05 1 642 889 86 GLU H H 8.085 0.01 1 643 889 86 GLU HA H 4.315 0.01 1 644 889 86 GLU HB2 H 2.076 0.00 2 645 889 86 GLU HB3 H 1.948 0.02 2 646 889 86 GLU HG2 H 2.239 0.02 2 647 889 86 GLU HG3 H 2.231 0.02 2 648 889 86 GLU C C 176.462 0.00 1 649 889 86 GLU CA C 56.537 0.05 1 650 889 86 GLU CB C 30.256 0.08 1 651 889 86 GLU CG C 36.346 0.02 1 652 889 86 GLU N N 120.060 0.07 1 653 890 87 SER H H 8.249 0.00 1 654 890 87 SER HA H 4.431 0.01 1 655 890 87 SER HB2 H 3.845 0.01 2 656 890 87 SER HB3 H 3.828 0.01 2 657 890 87 SER C C 173.977 0.01 1 658 890 87 SER CA C 58.411 0.05 1 659 890 87 SER CB C 64.098 0.07 1 660 890 87 SER N N 115.868 0.07 1 661 891 88 ASP H H 8.368 0.00 1 662 891 88 ASP HA H 4.646 0.01 1 663 891 88 ASP HB2 H 2.682 0.02 2 664 891 88 ASP HB3 H 2.591 0.02 2 665 891 88 ASP C C 174.995 0.00 1 666 891 88 ASP CA C 54.120 0.20 1 667 891 88 ASP CB C 41.034 0.04 1 668 891 88 ASP N N 122.684 0.04 1 669 892 89 LEU H H 7.703 0.00 1 670 892 89 LEU HA H 4.120 0.01 1 671 892 89 LEU HB2 H 1.523 0.00 2 672 892 89 LEU HB3 H 1.521 0.00 2 673 892 89 LEU HG H 1.523 0.00 1 674 892 89 LEU HD1 H 0.831 0.01 2 675 892 89 LEU HD2 H 0.780 0.01 2 676 892 89 LEU C C 182.380 0.00 1 677 892 89 LEU CA C 56.841 0.03 1 678 892 89 LEU CB C 43.384 0.04 1 679 892 89 LEU N N 126.987 0.05 1 stop_ save_