data_27626 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for the SAH domain from mouse myosin 7a ; _BMRB_accession_number 27626 _BMRB_flat_file_name bmr27626.str _Entry_type original _Submission_date 2018-09-25 _Accession_date 2018-09-25 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'pH 7.4' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Batchelor Matthew . . 2 Peckham Michelle . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 486 "13C chemical shifts" 391 "15N chemical shifts" 83 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-03-21 update BMRB 'update entry citation' 2019-01-02 original author 'original release' stop_ _Original_release_date 2018-09-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Dynamic ion pair behavior stabilizes single alpha-helices in proteins ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30593502 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Batchelor Matthew . . 2 Wolny Marcin . . 3 Baker Emily G. . 4 Paci Emanuele . . 5 Kalverda Arnout P. . 6 Peckham Michelle . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 294 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3219 _Page_last 3234 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'M7A SAH' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'M7A SAH, 1' $M7A_SAH 'M7A SAH, 2' $M7A_SAH 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_M7A_SAH _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common M7A_SAH _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 80 _Mol_residue_sequence ; SRLRVEYQRRLEAERMRLAE EEKLRKEMSAKKAKEEAERK HQERLAQLAREDAERELKEK EEARRKKELLEQMEKARHEW ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 857 SER 2 858 ARG 3 859 LEU 4 860 ARG 5 861 VAL 6 862 GLU 7 863 TYR 8 864 GLN 9 865 ARG 10 866 ARG 11 867 LEU 12 868 GLU 13 869 ALA 14 870 GLU 15 871 ARG 16 872 MET 17 873 ARG 18 874 LEU 19 875 ALA 20 876 GLU 21 877 GLU 22 878 GLU 23 879 LYS 24 880 LEU 25 881 ARG 26 882 LYS 27 883 GLU 28 884 MET 29 885 SER 30 886 ALA 31 887 LYS 32 888 LYS 33 889 ALA 34 890 LYS 35 891 GLU 36 892 GLU 37 893 ALA 38 894 GLU 39 895 ARG 40 896 LYS 41 897 HIS 42 898 GLN 43 899 GLU 44 900 ARG 45 901 LEU 46 902 ALA 47 903 GLN 48 904 LEU 49 905 ALA 50 906 ARG 51 907 GLU 52 908 ASP 53 909 ALA 54 910 GLU 55 911 ARG 56 912 GLU 57 913 LEU 58 914 LYS 59 915 GLU 60 916 LYS 61 917 GLU 62 918 GLU 63 919 ALA 64 920 ARG 65 921 ARG 66 922 LYS 67 923 LYS 68 924 GLU 69 925 LEU 70 926 LEU 71 927 GLU 72 928 GLN 73 929 MET 74 930 GLU 75 931 LYS 76 932 ALA 77 933 ARG 78 934 HIS 79 935 GLU 80 936 TRP 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 $M7A_SAH Mouse 10090 Eukaryota Metazoa Mus musculus 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 $M7A_SAH 'recombinant technology' . Escherichia coli . pET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $M7A_SAH 0.4 mM '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . 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_Analysis _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Ascend AEON' _Field_strength 950 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_(H)CCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_H(C)CH-TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(C)CH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_HCACO_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_(HC)CO(CCO)NH_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (HC)CO(CCO)NH' _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 pH 7.4 . pH pressure 1 . atm temperature 23.4 . 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_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HN(CA)CO' '3D HN(CO)CA' '3D HNCA' '3D HN(COCA)CB' '3D HNCACB' '3D C(CO)NH' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D 1H-15N NOESY' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D (H)CCH-TOCSY' '3D H(C)CH-TOCSY' '3D 1H-13C NOESY aromatic' '3D HCACO' '3D (HC)CO(CCO)NH' 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 'M7A SAH, 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 857 1 SER HA H 3.792 0.010 1 2 857 1 SER HB2 H 3.896 0.010 2 3 857 1 SER HB3 H 3.778 0.010 2 4 857 1 SER C C 176.492 0.037 1 5 857 1 SER CA C 57.968 0.056 1 6 857 1 SER CB C 65.945 0.055 1 7 858 2 ARG HA H 4.306 0.010 1 8 858 2 ARG HB2 H 1.863 0.010 2 9 858 2 ARG HB3 H 1.863 0.010 2 10 858 2 ARG HG2 H 1.639 0.011 2 11 858 2 ARG HG3 H 1.639 0.011 2 12 858 2 ARG HD2 H 3.214 0.010 2 13 858 2 ARG HD3 H 3.214 0.010 2 14 858 2 ARG C C 176.874 0.020 1 15 858 2 ARG CA C 57.029 0.041 1 16 858 2 ARG CB C 30.438 0.040 1 17 858 2 ARG CG C 27.137 0.048 1 18 858 2 ARG CD C 43.327 0.040 1 19 858 2 ARG N N 123.726 0.060 1 20 859 3 LEU H H 8.283 0.010 1 21 859 3 LEU HA H 4.282 0.010 1 22 859 3 LEU HB2 H 1.660 0.010 2 23 859 3 LEU HB3 H 1.560 0.010 2 24 859 3 LEU HG H 1.639 0.010 1 25 859 3 LEU HD1 H 0.874 0.010 2 26 859 3 LEU HD2 H 0.932 0.010 2 27 859 3 LEU C C 178.040 0.020 1 28 859 3 LEU CA C 55.993 0.043 1 29 859 3 LEU CB C 42.192 0.056 1 30 859 3 LEU CG C 27.051 0.040 1 31 859 3 LEU CD1 C 23.520 0.044 2 32 859 3 LEU CD2 C 24.897 0.040 2 33 859 3 LEU N N 121.905 0.040 1 34 860 4 ARG H H 8.226 0.010 1 35 860 4 ARG HA H 4.312 0.010 1 36 860 4 ARG HB2 H 1.932 0.017 2 37 860 4 ARG HB3 H 1.932 0.017 2 38 860 4 ARG HG2 H 1.685 0.020 2 39 860 4 ARG HG3 H 1.685 0.020 2 40 860 4 ARG HD2 H 3.214 0.020 2 41 860 4 ARG HD3 H 3.214 0.020 2 42 860 4 ARG C C 177.471 0.020 1 43 860 4 ARG CA C 57.213 0.040 1 44 860 4 ARG CB C 30.311 0.031 1 45 860 4 ARG CG C 27.157 0.080 1 46 860 4 ARG CD C 43.309 0.080 1 47 860 4 ARG N N 121.920 0.040 1 48 861 5 VAL H H 8.148 0.010 1 49 861 5 VAL HA H 3.931 0.010 1 50 861 5 VAL HB H 2.112 0.010 1 51 861 5 VAL HG1 H 1.016 0.011 2 52 861 5 VAL HG2 H 0.947 0.010 2 53 861 5 VAL C C 177.448 0.020 1 54 861 5 VAL CA C 64.580 0.040 1 55 861 5 VAL CB C 32.247 0.045 1 56 861 5 VAL CG1 C 21.508 0.045 2 57 861 5 VAL CG2 C 21.062 0.046 2 58 861 5 VAL N N 121.321 0.040 1 59 862 6 GLU H H 8.571 0.010 1 60 862 6 GLU HA H 4.151 0.010 1 61 862 6 GLU HB2 H 2.055 0.010 2 62 862 6 GLU HB3 H 2.055 0.010 2 63 862 6 GLU HG2 H 2.329 0.010 2 64 862 6 GLU HG3 H 2.310 0.010 2 65 862 6 GLU C C 178.051 0.020 1 66 862 6 GLU CA C 58.557 0.040 1 67 862 6 GLU CB C 29.341 0.040 1 68 862 6 GLU CG C 36.230 0.040 1 69 862 6 GLU CD C 183.576 0.040 1 70 862 6 GLU N N 122.097 0.040 1 71 863 7 TYR H H 8.092 0.010 1 72 863 7 TYR HA H 4.353 0.010 1 73 863 7 TYR HB2 H 3.175 0.010 2 74 863 7 TYR HB3 H 3.129 0.010 2 75 863 7 TYR HD1 H 7.132 0.010 3 76 863 7 TYR HD2 H 7.132 0.010 3 77 863 7 TYR HE1 H 6.832 0.010 3 78 863 7 TYR HE2 H 6.832 0.010 3 79 863 7 TYR C C 177.191 0.020 1 80 863 7 TYR CA C 60.251 0.053 1 81 863 7 TYR CB C 38.324 0.040 1 82 863 7 TYR CD2 C 133.031 0.080 1 83 863 7 TYR CE2 C 118.330 0.080 1 84 863 7 TYR N N 120.958 0.040 1 85 864 8 GLN H H 8.244 0.010 1 86 864 8 GLN HA H 3.977 0.010 1 87 864 8 GLN HB2 H 2.172 0.010 2 88 864 8 GLN HB3 H 2.170 0.010 2 89 864 8 GLN HG2 H 2.462 0.010 2 90 864 8 GLN HG3 H 2.462 0.010 2 91 864 8 GLN HE21 H 6.878 0.010 1 92 864 8 GLN HE22 H 7.634 0.010 1 93 864 8 GLN C C 178.139 0.020 1 94 864 8 GLN CA C 58.269 0.048 1 95 864 8 GLN CB C 28.329 0.098 1 96 864 8 GLN CG C 33.742 0.040 1 97 864 8 GLN CD C 179.870 0.020 1 98 864 8 GLN N N 119.580 0.042 1 99 864 8 GLN NE2 N 111.960 0.040 1 100 865 9 ARG H H 8.238 0.010 1 101 865 9 ARG HA H 4.126 0.020 1 102 865 9 ARG HB2 H 1.923 0.020 2 103 865 9 ARG HB3 H 1.923 0.020 2 104 865 9 ARG HG2 H 1.683 0.020 2 105 865 9 ARG HG3 H 1.683 0.020 2 106 865 9 ARG HD2 H 3.214 0.020 2 107 865 9 ARG HD3 H 3.214 0.020 2 108 865 9 ARG C C 178.849 0.037 1 109 865 9 ARG CA C 59.028 0.080 1 110 865 9 ARG CB C 30.228 0.080 1 111 865 9 ARG CG C 27.400 0.080 1 112 865 9 ARG CD C 43.458 0.080 1 113 865 9 ARG N N 119.902 0.040 1 114 866 10 ARG H H 8.049 0.010 1 115 866 10 ARG HA H 4.127 0.010 1 116 866 10 ARG HB2 H 1.919 0.020 2 117 866 10 ARG HB3 H 1.919 0.020 2 118 866 10 ARG HG2 H 1.683 0.020 2 119 866 10 ARG HG3 H 1.683 0.020 2 120 866 10 ARG HD2 H 3.214 0.020 2 121 866 10 ARG HD3 H 3.214 0.020 2 122 866 10 ARG C C 178.535 0.020 1 123 866 10 ARG CA C 59.002 0.063 1 124 866 10 ARG CB C 29.742 0.066 1 125 866 10 ARG CG C 27.429 0.040 1 126 866 10 ARG CD C 43.507 0.040 1 127 866 10 ARG N N 121.185 0.040 1 128 867 11 LEU H H 8.051 0.010 1 129 867 11 LEU HA H 4.089 0.010 1 130 867 11 LEU HB2 H 1.681 0.010 2 131 867 11 LEU HB3 H 1.569 0.010 2 132 867 11 LEU HG H 1.518 0.010 1 133 867 11 LEU HD1 H 0.826 0.010 2 134 867 11 LEU HD2 H 0.827 0.010 2 135 867 11 LEU C C 179.749 0.020 1 136 867 11 LEU CA C 57.623 0.040 1 137 867 11 LEU CB C 41.771 0.040 1 138 867 11 LEU CG C 26.828 0.040 1 139 867 11 LEU CD1 C 23.520 0.040 2 140 867 11 LEU CD2 C 24.792 0.043 2 141 867 11 LEU N N 121.488 0.040 1 142 868 12 GLU H H 8.185 0.010 1 143 868 12 GLU HA H 4.117 0.010 1 144 868 12 GLU HB2 H 2.176 0.010 2 145 868 12 GLU HB3 H 2.077 0.010 2 146 868 12 GLU HG2 H 2.355 0.010 2 147 868 12 GLU HG3 H 2.355 0.010 2 148 868 12 GLU C C 178.544 0.020 1 149 868 12 GLU CA C 58.952 0.040 1 150 868 12 GLU CB C 29.458 0.040 1 151 868 12 GLU CG C 36.103 0.040 1 152 868 12 GLU CD C 183.573 0.040 1 153 868 12 GLU N N 120.144 0.040 1 154 869 13 ALA H H 8.100 0.010 1 155 869 13 ALA HA H 4.188 0.010 1 156 869 13 ALA HB H 1.551 0.010 1 157 869 13 ALA C C 180.753 0.020 1 158 869 13 ALA CA C 55.095 0.040 1 159 869 13 ALA CB C 17.959 0.040 1 160 869 13 ALA N N 122.232 0.040 1 161 870 14 GLU H H 8.140 0.010 1 162 870 14 GLU HA H 4.216 0.010 1 163 870 14 GLU HB2 H 2.143 0.020 2 164 870 14 GLU HB3 H 2.069 0.020 2 165 870 14 GLU HG2 H 2.340 0.010 2 166 870 14 GLU HG3 H 2.340 0.010 2 167 870 14 GLU C C 178.339 0.020 1 168 870 14 GLU CA C 58.845 0.055 1 169 870 14 GLU CB C 29.556 0.040 1 170 870 14 GLU CG C 35.845 0.080 1 171 870 14 GLU CD C 183.569 0.020 1 172 870 14 GLU N N 119.951 0.040 1 173 871 15 ARG H H 8.132 0.010 1 174 871 15 ARG HA H 4.042 0.010 1 175 871 15 ARG HB2 H 1.990 0.010 2 176 871 15 ARG HB3 H 1.990 0.010 2 177 871 15 ARG HG2 H 1.660 0.020 2 178 871 15 ARG HG3 H 1.660 0.020 2 179 871 15 ARG HD2 H 3.227 0.020 2 180 871 15 ARG HD3 H 3.227 0.020 2 181 871 15 ARG C C 179.775 0.020 1 182 871 15 ARG CA C 59.627 0.040 1 183 871 15 ARG CB C 29.891 0.081 1 184 871 15 ARG CG C 27.310 0.080 1 185 871 15 ARG CD C 43.404 0.080 1 186 871 15 ARG N N 120.026 0.040 1 187 872 16 MET H H 8.197 0.010 1 188 872 16 MET HA H 4.259 0.010 1 189 872 16 MET HB2 H 2.192 0.010 2 190 872 16 MET HB3 H 2.192 0.010 2 191 872 16 MET HG2 H 2.603 0.010 2 192 872 16 MET HG3 H 2.763 0.010 2 193 872 16 MET HE H 2.112 0.020 1 194 872 16 MET C C 178.263 0.020 1 195 872 16 MET CA C 58.407 0.054 1 196 872 16 MET CB C 32.489 0.040 1 197 872 16 MET CG C 32.270 0.058 1 198 872 16 MET CE C 16.965 0.080 1 199 872 16 MET N N 119.057 0.040 1 200 873 17 ARG H H 8.066 0.010 1 201 873 17 ARG HA H 4.202 0.010 1 202 873 17 ARG HD2 H 3.246 0.020 2 203 873 17 ARG HD3 H 3.246 0.020 2 204 873 17 ARG C C 179.018 0.020 1 205 873 17 ARG CA C 59.213 0.040 1 206 873 17 ARG CB C 29.924 0.040 1 207 873 17 ARG CG C 27.034 0.080 1 208 873 17 ARG CD C 43.102 0.080 1 209 873 17 ARG N N 121.929 0.040 1 210 874 18 LEU H H 8.218 0.010 1 211 874 18 LEU HA H 4.099 0.010 1 212 874 18 LEU HB2 H 1.594 0.010 2 213 874 18 LEU HB3 H 1.837 0.015 2 214 874 18 LEU HG H 1.778 0.010 1 215 874 18 LEU HD1 H 0.907 0.010 2 216 874 18 LEU HD2 H 0.931 0.010 2 217 874 18 LEU C C 179.690 0.020 1 218 874 18 LEU CA C 57.783 0.040 1 219 874 18 LEU CB C 41.700 0.094 1 220 874 18 LEU CG C 26.948 0.080 1 221 874 18 LEU CD1 C 23.392 0.060 2 222 874 18 LEU CD2 C 25.055 0.080 2 223 874 18 LEU N N 120.090 0.040 1 224 875 19 ALA H H 7.985 0.010 1 225 875 19 ALA HA H 4.232 0.010 1 226 875 19 ALA HB H 1.559 0.010 1 227 875 19 ALA C C 180.935 0.020 1 228 875 19 ALA CA C 54.943 0.040 1 229 875 19 ALA CB C 18.108 0.110 1 230 875 19 ALA N N 122.106 0.053 1 231 876 20 GLU H H 8.225 0.010 1 232 876 20 GLU HA H 4.116 0.013 1 233 876 20 GLU HB2 H 2.195 0.010 2 234 876 20 GLU HB3 H 2.195 0.010 2 235 876 20 GLU HG2 H 2.393 0.010 2 236 876 20 GLU HG3 H 2.357 0.010 2 237 876 20 GLU C C 178.912 0.020 1 238 876 20 GLU CA C 59.222 0.040 1 239 876 20 GLU CB C 29.474 0.080 1 240 876 20 GLU CG C 36.240 0.080 1 241 876 20 GLU CD C 183.424 0.020 1 242 876 20 GLU N N 120.431 0.040 1 243 877 21 GLU H H 8.337 0.010 1 244 877 21 GLU HA H 4.014 0.010 1 245 877 21 GLU HB2 H 2.171 0.020 2 246 877 21 GLU HB3 H 2.171 0.020 2 247 877 21 GLU HG2 H 2.446 0.010 2 248 877 21 GLU HG3 H 2.256 0.011 2 249 877 21 GLU C C 179.160 0.020 1 250 877 21 GLU CA C 59.752 0.040 1 251 877 21 GLU CB C 29.475 0.080 1 252 877 21 GLU CG C 36.533 0.080 1 253 877 21 GLU CD C 183.078 0.020 1 254 877 21 GLU N N 120.413 0.040 1 255 878 22 GLU H H 8.117 0.010 1 256 878 22 GLU HA H 4.102 0.010 1 257 878 22 GLU HB2 H 2.129 0.010 2 258 878 22 GLU HB3 H 2.129 0.010 2 259 878 22 GLU HG2 H 2.337 0.010 2 260 878 22 GLU HG3 H 2.337 0.010 2 261 878 22 GLU C C 178.408 0.020 1 262 878 22 GLU CA C 59.227 0.040 1 263 878 22 GLU CB C 29.406 0.040 1 264 878 22 GLU CG C 36.008 0.080 1 265 878 22 GLU CD C 183.491 0.020 1 266 878 22 GLU N N 119.801 0.051 1 267 879 23 LYS H H 7.862 0.010 1 268 879 23 LYS HA H 4.036 0.010 1 269 879 23 LYS HB2 H 1.990 0.010 2 270 879 23 LYS HB3 H 1.990 0.010 2 271 879 23 LYS HG2 H 1.586 0.011 2 272 879 23 LYS HG3 H 1.388 0.010 2 273 879 23 LYS HD2 H 1.723 0.020 2 274 879 23 LYS HD3 H 1.723 0.020 2 275 879 23 LYS HE2 H 2.982 0.010 2 276 879 23 LYS HE3 H 2.982 0.010 2 277 879 23 LYS C C 179.319 0.020 1 278 879 23 LYS CA C 59.739 0.040 1 279 879 23 LYS CB C 32.612 0.077 1 280 879 23 LYS CG C 24.890 0.040 1 281 879 23 LYS CD C 29.670 0.080 1 282 879 23 LYS CE C 42.057 0.040 1 283 879 23 LYS N N 120.628 0.044 1 284 880 24 LEU H H 8.109 0.010 1 285 880 24 LEU HA H 4.183 0.010 1 286 880 24 LEU HB2 H 1.695 0.020 2 287 880 24 LEU HB3 H 1.850 0.010 2 288 880 24 LEU HG H 1.809 0.020 1 289 880 24 LEU HD1 H 0.967 0.010 2 290 880 24 LEU HD2 H 0.933 0.010 2 291 880 24 LEU C C 179.505 0.020 1 292 880 24 LEU CA C 57.737 0.040 1 293 880 24 LEU CB C 41.757 0.040 1 294 880 24 LEU CG C 26.977 0.080 1 295 880 24 LEU CD1 C 24.936 0.040 2 296 880 24 LEU CD2 C 23.683 0.040 2 297 880 24 LEU N N 119.965 0.040 1 298 881 25 ARG H H 8.123 0.010 1 299 881 25 ARG C C 179.297 0.040 1 300 881 25 ARG CA C 59.447 0.080 1 301 881 25 ARG N N 119.910 0.040 1 302 882 26 LYS HA H 4.123 0.020 1 303 882 26 LYS C C 179.221 0.020 1 304 882 26 LYS CA C 59.302 0.080 1 305 882 26 LYS CB C 32.572 0.080 1 306 882 26 LYS CG C 25.106 0.080 1 307 882 26 LYS CD C 29.130 0.080 1 308 882 26 LYS CE C 42.143 0.080 1 309 883 27 GLU H H 8.207 0.010 1 310 883 27 GLU HA H 4.224 0.010 1 311 883 27 GLU HB2 H 2.141 0.020 2 312 883 27 GLU HB3 H 2.141 0.020 2 313 883 27 GLU HG2 H 2.449 0.010 2 314 883 27 GLU HG3 H 2.269 0.010 2 315 883 27 GLU C C 178.793 0.020 1 316 883 27 GLU CA C 58.678 0.071 1 317 883 27 GLU CB C 30.054 0.040 1 318 883 27 GLU CG C 36.356 0.080 1 319 883 27 GLU CD C 183.164 0.040 1 320 883 27 GLU N N 120.128 0.040 1 321 884 28 MET H H 8.430 0.010 1 322 884 28 MET HA H 4.412 0.010 1 323 884 28 MET HB2 H 2.216 0.013 2 324 884 28 MET HB3 H 2.213 0.013 2 325 884 28 MET HG2 H 2.722 0.013 2 326 884 28 MET HG3 H 2.713 0.014 2 327 884 28 MET HE H 2.122 0.010 1 328 884 28 MET C C 178.199 0.026 1 329 884 28 MET CA C 57.572 0.040 1 330 884 28 MET CB C 32.570 0.040 1 331 884 28 MET CG C 31.857 0.045 1 332 884 28 MET CE C 17.000 0.040 1 333 884 28 MET N N 119.517 0.048 1 334 885 29 SER H H 8.331 0.010 1 335 885 29 SER HA H 4.301 0.010 1 336 885 29 SER HB2 H 4.097 0.010 2 337 885 29 SER HB3 H 4.024 0.010 2 338 885 29 SER C C 176.429 0.032 1 339 885 29 SER CA C 60.833 0.048 1 340 885 29 SER CB C 63.051 0.041 1 341 885 29 SER N N 116.017 0.055 1 342 886 30 ALA H H 8.224 0.010 1 343 886 30 ALA HA H 4.217 0.016 1 344 886 30 ALA HB H 1.532 0.010 1 345 886 30 ALA C C 180.297 0.020 1 346 886 30 ALA CA C 55.049 0.040 1 347 886 30 ALA CB C 18.218 0.040 1 348 886 30 ALA N N 125.210 0.040 1 349 887 31 LYS H H 8.121 0.010 1 350 887 31 LYS HB2 H 1.952 0.020 2 351 887 31 LYS HB3 H 1.952 0.020 2 352 887 31 LYS C C 178.737 0.020 1 353 887 31 LYS CA C 59.549 0.080 1 354 887 31 LYS CB C 32.765 0.050 1 355 887 31 LYS CG C 25.078 0.080 1 356 887 31 LYS CE C 42.110 0.080 1 357 887 31 LYS N N 120.215 0.040 1 358 888 32 LYS H H 7.993 0.010 1 359 888 32 LYS HA H 4.208 0.011 1 360 888 32 LYS HB2 H 1.935 0.020 2 361 888 32 LYS HB3 H 1.935 0.020 2 362 888 32 LYS HG2 H 1.505 0.020 2 363 888 32 LYS HG3 H 1.505 0.020 2 364 888 32 LYS HD2 H 1.689 0.020 2 365 888 32 LYS HD3 H 1.689 0.020 2 366 888 32 LYS HE2 H 2.965 0.020 2 367 888 32 LYS HE3 H 2.965 0.020 2 368 888 32 LYS C C 178.754 0.020 1 369 888 32 LYS CA C 58.822 0.040 1 370 888 32 LYS CB C 32.263 0.102 1 371 888 32 LYS CG C 24.973 0.080 1 372 888 32 LYS CD C 29.044 0.080 1 373 888 32 LYS CE C 42.387 0.080 1 374 888 32 LYS N N 120.070 0.042 1 375 889 33 ALA H H 8.188 0.010 1 376 889 33 ALA HA H 4.233 0.010 1 377 889 33 ALA HB H 1.522 0.010 1 378 889 33 ALA C C 180.589 0.020 1 379 889 33 ALA CA C 54.981 0.040 1 380 889 33 ALA CB C 18.211 0.080 1 381 889 33 ALA N N 121.730 0.040 1 382 890 34 LYS H H 7.968 0.010 1 383 890 34 LYS HE2 H 3.025 0.020 2 384 890 34 LYS HE3 H 3.025 0.020 2 385 890 34 LYS C C 178.863 0.020 1 386 890 34 LYS CA C 59.392 0.080 1 387 890 34 LYS CG C 24.862 0.080 1 388 890 34 LYS CE C 42.060 0.080 1 389 890 34 LYS N N 120.361 0.040 1 390 891 35 GLU H H 8.149 0.010 1 391 891 35 GLU HA H 4.122 0.010 1 392 891 35 GLU HB2 H 2.192 0.020 2 393 891 35 GLU HB3 H 2.192 0.020 2 394 891 35 GLU HG2 H 2.539 0.010 2 395 891 35 GLU HG3 H 2.307 0.010 2 396 891 35 GLU C C 179.709 0.020 1 397 891 35 GLU CA C 59.320 0.080 1 398 891 35 GLU CB C 29.610 0.080 1 399 891 35 GLU CG C 36.546 0.080 1 400 891 35 GLU CD C 183.449 0.020 1 401 891 35 GLU N N 120.063 0.040 1 402 892 36 GLU H H 8.451 0.010 1 403 892 36 GLU HA H 4.199 0.010 1 404 892 36 GLU HB2 H 2.173 0.020 2 405 892 36 GLU HB3 H 2.017 0.020 2 406 892 36 GLU HG2 H 2.345 0.020 2 407 892 36 GLU HG3 H 2.345 0.020 2 408 892 36 GLU C C 178.514 0.020 1 409 892 36 GLU CA C 59.004 0.040 1 410 892 36 GLU CB C 29.549 0.080 1 411 892 36 GLU CD C 183.511 0.020 1 412 892 36 GLU N N 120.586 0.040 1 413 893 37 ALA H H 8.120 0.010 1 414 893 37 ALA HA H 4.153 0.010 1 415 893 37 ALA HB H 1.583 0.010 1 416 893 37 ALA C C 181.028 0.020 1 417 893 37 ALA CA C 55.231 0.040 1 418 893 37 ALA CB C 17.888 0.040 1 419 893 37 ALA N N 122.197 0.040 1 420 894 38 GLU H H 8.235 0.010 1 421 894 38 GLU HA H 4.208 0.020 1 422 894 38 GLU HB2 H 2.168 0.020 2 423 894 38 GLU HB3 H 2.168 0.020 2 424 894 38 GLU HG2 H 2.472 0.010 2 425 894 38 GLU HG3 H 2.369 0.010 2 426 894 38 GLU C C 178.758 0.021 1 427 894 38 GLU CA C 59.105 0.040 1 428 894 38 GLU CB C 29.138 0.040 1 429 894 38 GLU CG C 36.179 0.040 1 430 894 38 GLU CD C 183.290 0.040 1 431 894 38 GLU N N 119.785 0.045 1 432 895 39 ARG H H 8.138 0.010 1 433 895 39 ARG HA H 4.124 0.010 1 434 895 39 ARG HD2 H 3.288 0.020 2 435 895 39 ARG HD3 H 3.288 0.020 2 436 895 39 ARG C C 179.357 0.020 1 437 895 39 ARG CA C 59.578 0.040 1 438 895 39 ARG CB C 29.911 0.100 1 439 895 39 ARG CG C 27.304 0.080 1 440 895 39 ARG CD C 43.318 0.080 1 441 895 39 ARG N N 121.313 0.040 1 442 896 40 LYS H H 8.235 0.010 1 443 896 40 LYS HA H 4.094 0.010 1 444 896 40 LYS HB2 H 1.975 0.010 2 445 896 40 LYS HB3 H 1.975 0.010 2 446 896 40 LYS HG2 H 1.668 0.020 2 447 896 40 LYS HG3 H 1.668 0.020 2 448 896 40 LYS HE2 H 2.972 0.020 2 449 896 40 LYS HE3 H 2.972 0.020 2 450 896 40 LYS C C 179.335 0.020 1 451 896 40 LYS CA C 59.205 0.080 1 452 896 40 LYS CB C 32.345 0.147 1 453 896 40 LYS CG C 25.449 0.080 1 454 896 40 LYS CD C 28.803 0.080 1 455 896 40 LYS CE C 42.128 0.080 1 456 896 40 LYS N N 119.140 0.040 1 457 897 41 HIS H H 8.157 0.010 1 458 897 41 HIS HA H 4.486 0.010 1 459 897 41 HIS HB2 H 3.401 0.010 2 460 897 41 HIS HB3 H 3.189 0.010 2 461 897 41 HIS HD2 H 7.058 0.010 1 462 897 41 HIS HE1 H 7.754 0.010 1 463 897 41 HIS C C 177.306 0.020 1 464 897 41 HIS CA C 59.512 0.040 1 465 897 41 HIS CB C 30.861 0.061 1 466 897 41 HIS CD2 C 119.373 0.080 1 467 897 41 HIS CE1 C 138.464 0.080 1 468 897 41 HIS N N 120.868 0.045 1 469 898 42 GLN H H 8.342 0.010 1 470 898 42 GLN HA H 3.888 0.010 1 471 898 42 GLN HB2 H 2.244 0.010 2 472 898 42 GLN HB3 H 2.228 0.010 2 473 898 42 GLN HG2 H 2.608 0.010 2 474 898 42 GLN HG3 H 2.608 0.010 2 475 898 42 GLN HE21 H 6.869 0.010 1 476 898 42 GLN HE22 H 7.757 0.010 1 477 898 42 GLN C C 179.535 0.020 1 478 898 42 GLN CA C 58.764 0.040 1 479 898 42 GLN CB C 27.840 0.096 1 480 898 42 GLN CG C 33.716 0.044 1 481 898 42 GLN CD C 179.958 0.020 1 482 898 42 GLN N N 117.829 0.040 1 483 898 42 GLN NE2 N 112.577 0.040 1 484 899 43 GLU H H 8.315 0.010 1 485 899 43 GLU HA H 4.118 0.010 1 486 899 43 GLU C C 179.121 0.020 1 487 899 43 GLU CA C 59.262 0.080 1 488 899 43 GLU CB C 29.530 0.040 1 489 899 43 GLU CG C 36.386 0.080 1 490 899 43 GLU CD C 183.508 0.020 1 491 899 43 GLU N N 120.624 0.040 1 492 900 44 ARG H H 8.035 0.010 1 493 900 44 ARG HA H 4.129 0.010 1 494 900 44 ARG HD2 H 3.293 0.020 2 495 900 44 ARG HD3 H 3.293 0.020 2 496 900 44 ARG C C 178.909 0.020 1 497 900 44 ARG CA C 59.060 0.080 1 498 900 44 ARG CB C 29.588 0.040 1 499 900 44 ARG CG C 27.332 0.080 1 500 900 44 ARG CD C 43.258 0.080 1 501 900 44 ARG N N 121.885 0.047 1 502 901 45 LEU H H 8.193 0.010 1 503 901 45 LEU HA H 3.982 0.010 1 504 901 45 LEU HB2 H 1.776 0.010 2 505 901 45 LEU HB3 H 1.437 0.010 2 506 901 45 LEU HG H 1.466 0.010 1 507 901 45 LEU HD1 H 0.737 0.010 2 508 901 45 LEU HD2 H 0.781 0.010 2 509 901 45 LEU C C 180.143 0.020 1 510 901 45 LEU CA C 57.909 0.041 1 511 901 45 LEU CB C 41.336 0.042 1 512 901 45 LEU CG C 26.536 0.050 1 513 901 45 LEU CD1 C 25.117 0.057 2 514 901 45 LEU CD2 C 22.555 0.040 2 515 901 45 LEU N N 119.483 0.040 1 516 902 46 ALA H H 8.024 0.010 1 517 902 46 ALA HA H 4.211 0.010 1 518 902 46 ALA HB H 1.527 0.010 1 519 902 46 ALA C C 180.388 0.020 1 520 902 46 ALA CA C 54.816 0.040 1 521 902 46 ALA CB C 17.802 0.040 1 522 902 46 ALA N N 122.261 0.051 1 523 903 47 GLN H H 8.013 0.010 1 524 903 47 GLN HA H 4.075 0.010 1 525 903 47 GLN HB2 H 2.248 0.012 2 526 903 47 GLN HB3 H 2.247 0.012 2 527 903 47 GLN HG2 H 2.476 0.010 2 528 903 47 GLN HG3 H 2.408 0.010 2 529 903 47 GLN HE21 H 6.857 0.010 1 530 903 47 GLN HE22 H 7.861 0.010 1 531 903 47 GLN C C 178.316 0.020 1 532 903 47 GLN CA C 58.600 0.040 1 533 903 47 GLN CB C 27.856 0.055 1 534 903 47 GLN CG C 33.098 0.054 1 535 903 47 GLN CD C 180.122 0.020 1 536 903 47 GLN N N 120.193 0.041 1 537 903 47 GLN NE2 N 112.673 0.040 1 538 904 48 LEU H H 8.225 0.010 1 539 904 48 LEU HA H 4.101 0.010 1 540 904 48 LEU HB2 H 1.836 0.010 2 541 904 48 LEU HB3 H 1.609 0.010 2 542 904 48 LEU HG H 1.779 0.010 1 543 904 48 LEU HD1 H 0.899 0.010 2 544 904 48 LEU HD2 H 0.898 0.010 2 545 904 48 LEU C C 179.122 0.020 1 546 904 48 LEU CA C 57.700 0.040 1 547 904 48 LEU CB C 41.707 0.052 1 548 904 48 LEU CG C 27.003 0.069 1 549 904 48 LEU CD1 C 23.209 0.090 2 550 904 48 LEU CD2 C 25.315 0.040 2 551 904 48 LEU N N 120.701 0.046 1 552 905 49 ALA H H 7.980 0.010 1 553 905 49 ALA HA H 4.268 0.010 1 554 905 49 ALA HB H 1.526 0.010 1 555 905 49 ALA C C 180.786 0.024 1 556 905 49 ALA CA C 54.756 0.040 1 557 905 49 ALA CB C 17.941 0.100 1 558 905 49 ALA N N 121.140 0.044 1 559 906 50 ARG H H 7.930 0.010 1 560 906 50 ARG HG2 H 1.631 0.020 2 561 906 50 ARG HG3 H 1.631 0.020 2 562 906 50 ARG HD2 H 3.262 0.010 2 563 906 50 ARG HD3 H 3.262 0.010 2 564 906 50 ARG C C 178.795 0.040 1 565 906 50 ARG CA C 59.211 0.040 1 566 906 50 ARG CB C 30.021 0.080 1 567 906 50 ARG CG C 27.559 0.080 1 568 906 50 ARG CD C 43.526 0.080 1 569 906 50 ARG N N 120.335 0.040 1 570 907 51 GLU H H 8.325 0.010 1 571 907 51 GLU HA H 4.091 0.010 1 572 907 51 GLU HB2 H 2.120 0.020 2 573 907 51 GLU HB3 H 2.120 0.020 2 574 907 51 GLU HG2 H 2.295 0.013 2 575 907 51 GLU HG3 H 2.555 0.011 2 576 907 51 GLU C C 179.574 0.020 1 577 907 51 GLU CA C 59.306 0.040 1 578 907 51 GLU CB C 29.479 0.080 1 579 907 51 GLU CG C 36.648 0.040 1 580 907 51 GLU CD C 183.386 0.020 1 581 907 51 GLU N N 120.554 0.040 1 582 908 52 ASP H H 8.448 0.010 1 583 908 52 ASP HA H 4.500 0.010 1 584 908 52 ASP HB2 H 2.808 0.010 2 585 908 52 ASP HB3 H 2.720 0.010 2 586 908 52 ASP C C 178.153 0.020 1 587 908 52 ASP CA C 57.196 0.044 1 588 908 52 ASP CB C 40.742 0.040 1 589 908 52 ASP CG C 179.226 0.020 1 590 908 52 ASP N N 121.049 0.040 1 591 909 53 ALA H H 7.996 0.010 1 592 909 53 ALA HA H 4.223 0.010 1 593 909 53 ALA HB H 1.561 0.010 1 594 909 53 ALA C C 180.755 0.020 1 595 909 53 ALA CA C 54.992 0.040 1 596 909 53 ALA CB C 18.097 0.074 1 597 909 53 ALA N N 122.830 0.040 1 598 910 54 GLU H H 8.222 0.010 1 599 910 54 GLU HA H 4.094 0.010 1 600 910 54 GLU HB2 H 2.134 0.010 2 601 910 54 GLU HB3 H 2.134 0.010 2 602 910 54 GLU HG2 H 2.487 0.010 2 603 910 54 GLU HG3 H 2.299 0.010 2 604 910 54 GLU C C 178.884 0.020 1 605 910 54 GLU CA C 59.125 0.040 1 606 910 54 GLU CB C 29.588 0.080 1 607 910 54 GLU CG C 36.472 0.080 1 608 910 54 GLU CD C 183.406 0.020 1 609 910 54 GLU N N 118.949 0.040 1 610 911 55 ARG H H 8.058 0.010 1 611 911 55 ARG HA H 4.088 0.010 1 612 911 55 ARG HB2 H 2.027 0.020 2 613 911 55 ARG HB3 H 2.027 0.020 2 614 911 55 ARG HD2 H 3.275 0.010 2 615 911 55 ARG HD3 H 3.275 0.010 2 616 911 55 ARG C C 178.629 0.020 1 617 911 55 ARG CA C 59.602 0.040 1 618 911 55 ARG CB C 29.772 0.055 1 619 911 55 ARG CG C 27.268 0.080 1 620 911 55 ARG CD C 43.176 0.080 1 621 911 55 ARG N N 121.351 0.040 1 622 912 56 GLU H H 8.186 0.010 1 623 912 56 GLU HA H 4.097 0.010 1 624 912 56 GLU HB2 H 2.103 0.010 2 625 912 56 GLU HB3 H 2.103 0.010 2 626 912 56 GLU HG2 H 2.423 0.010 2 627 912 56 GLU HG3 H 2.231 0.010 2 628 912 56 GLU C C 178.936 0.020 1 629 912 56 GLU CA C 59.439 0.040 1 630 912 56 GLU CB C 29.551 0.089 1 631 912 56 GLU CG C 36.453 0.080 1 632 912 56 GLU CD C 183.583 0.020 1 633 912 56 GLU N N 119.575 0.043 1 634 913 57 LEU H H 7.885 0.010 1 635 913 57 LEU HA H 4.136 0.010 1 636 913 57 LEU HB2 H 1.858 0.010 2 637 913 57 LEU HB3 H 1.744 0.010 2 638 913 57 LEU HG H 1.757 0.020 1 639 913 57 LEU HD1 H 0.965 0.010 2 640 913 57 LEU HD2 H 0.931 0.010 2 641 913 57 LEU C C 179.610 0.020 1 642 913 57 LEU CA C 58.064 0.057 1 643 913 57 LEU CB C 41.801 0.040 1 644 913 57 LEU CG C 26.806 0.080 1 645 913 57 LEU CD1 C 24.758 0.040 2 646 913 57 LEU CD2 C 24.093 0.040 2 647 913 57 LEU N N 120.111 0.040 1 648 914 58 LYS H H 8.030 0.010 1 649 914 58 LYS HA H 4.126 0.010 1 650 914 58 LYS HB2 H 1.997 0.010 2 651 914 58 LYS HB3 H 1.997 0.010 2 652 914 58 LYS HG2 H 1.548 0.020 2 653 914 58 LYS HG3 H 1.548 0.020 2 654 914 58 LYS HD2 H 1.704 0.020 2 655 914 58 LYS HD3 H 1.704 0.020 2 656 914 58 LYS HE2 H 3.020 0.020 2 657 914 58 LYS HE3 H 3.020 0.020 2 658 914 58 LYS C C 179.503 0.020 1 659 914 58 LYS CA C 59.370 0.040 1 660 914 58 LYS CB C 32.263 0.054 1 661 914 58 LYS CG C 25.041 0.080 1 662 914 58 LYS CD C 29.276 0.080 1 663 914 58 LYS CE C 42.186 0.080 1 664 914 58 LYS N N 120.336 0.040 1 665 915 59 GLU H H 8.375 0.010 1 666 915 59 GLU HA H 4.108 0.010 1 667 915 59 GLU HB2 H 2.125 0.020 2 668 915 59 GLU HB3 H 2.125 0.020 2 669 915 59 GLU HG2 H 2.502 0.010 2 670 915 59 GLU HG3 H 2.291 0.010 2 671 915 59 GLU C C 179.875 0.020 1 672 915 59 GLU CA C 59.426 0.040 1 673 915 59 GLU CB C 29.462 0.040 1 674 915 59 GLU CG C 36.625 0.040 1 675 915 59 GLU CD C 183.474 0.020 1 676 915 59 GLU N N 119.975 0.040 1 677 916 60 LYS H H 8.237 0.010 1 678 916 60 LYS HA H 4.149 0.010 1 679 916 60 LYS HB2 H 1.992 0.020 2 680 916 60 LYS HB3 H 1.992 0.020 2 681 916 60 LYS HG2 H 1.704 0.010 2 682 916 60 LYS HG3 H 1.505 0.020 2 683 916 60 LYS HD2 H 1.709 0.010 2 684 916 60 LYS HD3 H 1.709 0.010 2 685 916 60 LYS HE2 H 2.979 0.020 2 686 916 60 LYS HE3 H 2.979 0.020 2 687 916 60 LYS C C 179.649 0.020 1 688 916 60 LYS CA C 59.491 0.040 1 689 916 60 LYS CB C 32.470 0.106 1 690 916 60 LYS CG C 25.580 0.040 1 691 916 60 LYS CD C 29.362 0.080 1 692 916 60 LYS CE C 42.254 0.080 1 693 916 60 LYS N N 121.100 0.047 1 694 917 61 GLU H H 8.234 0.010 1 695 917 61 GLU HA H 4.238 0.010 1 696 917 61 GLU HB2 H 2.196 0.020 2 697 917 61 GLU HB3 H 2.028 0.020 2 698 917 61 GLU HG2 H 2.367 0.010 2 699 917 61 GLU HG3 H 2.367 0.010 2 700 917 61 GLU C C 178.881 0.020 1 701 917 61 GLU CA C 58.961 0.040 1 702 917 61 GLU CB C 29.196 0.080 1 703 917 61 GLU CG C 36.059 0.080 1 704 917 61 GLU CD C 183.682 0.020 1 705 917 61 GLU N N 121.440 0.040 1 706 918 62 GLU H H 8.335 0.010 1 707 918 62 GLU HA H 4.177 0.020 1 708 918 62 GLU HB2 H 2.123 0.020 2 709 918 62 GLU HB3 H 2.123 0.020 2 710 918 62 GLU HG2 H 2.365 0.020 2 711 918 62 GLU HG3 H 2.365 0.020 2 712 918 62 GLU C C 178.914 0.020 1 713 918 62 GLU CA C 59.149 0.040 1 714 918 62 GLU CB C 29.369 0.069 1 715 918 62 GLU CG C 36.234 0.080 1 716 918 62 GLU CD C 183.495 0.020 1 717 918 62 GLU N N 120.585 0.040 1 718 919 63 ALA H H 8.057 0.010 1 719 919 63 ALA HA H 4.160 0.015 1 720 919 63 ALA HB H 1.540 0.010 1 721 919 63 ALA C C 180.597 0.020 1 722 919 63 ALA CA C 55.024 0.040 1 723 919 63 ALA CB C 18.025 0.132 1 724 919 63 ALA N N 121.692 0.040 1 725 920 64 ARG H H 7.981 0.010 1 726 920 64 ARG HA H 4.129 0.020 1 727 920 64 ARG HB2 H 1.994 0.020 2 728 920 64 ARG HB3 H 1.994 0.020 2 729 920 64 ARG HG2 H 1.713 0.020 2 730 920 64 ARG HG3 H 1.713 0.020 2 731 920 64 ARG HD2 H 3.248 0.020 2 732 920 64 ARG HD3 H 3.248 0.020 2 733 920 64 ARG C C 178.551 0.020 1 734 920 64 ARG CA C 59.291 0.040 1 735 920 64 ARG CB C 29.830 0.040 1 736 920 64 ARG CG C 26.991 0.080 1 737 920 64 ARG CD C 43.126 0.080 1 738 920 64 ARG N N 120.259 0.040 1 739 921 65 ARG H H 8.208 0.010 1 740 921 65 ARG HA H 4.090 0.010 1 741 921 65 ARG HB2 H 1.968 0.010 2 742 921 65 ARG HB3 H 1.968 0.010 2 743 921 65 ARG HG2 H 1.740 0.020 2 744 921 65 ARG HG3 H 1.740 0.020 2 745 921 65 ARG HD2 H 3.232 0.020 2 746 921 65 ARG HD3 H 3.232 0.020 2 747 921 65 ARG C C 178.973 0.020 1 748 921 65 ARG CA C 59.096 0.040 1 749 921 65 ARG CB C 30.073 0.095 1 750 921 65 ARG CG C 27.453 0.080 1 751 921 65 ARG CD C 43.268 0.080 1 752 921 65 ARG N N 119.984 0.040 1 753 922 66 LYS H H 8.089 0.010 1 754 922 66 LYS HA H 4.043 0.010 1 755 922 66 LYS HB2 H 1.912 0.010 2 756 922 66 LYS HB3 H 1.912 0.010 2 757 922 66 LYS HG2 H 1.636 0.020 2 758 922 66 LYS HG3 H 1.454 0.010 2 759 922 66 LYS HD2 H 1.690 0.020 2 760 922 66 LYS HD3 H 1.690 0.020 2 761 922 66 LYS HE2 H 2.986 0.010 2 762 922 66 LYS HE3 H 2.986 0.010 2 763 922 66 LYS C C 178.567 0.020 1 764 922 66 LYS CA C 59.474 0.040 1 765 922 66 LYS CB C 32.518 0.068 1 766 922 66 LYS CG C 25.377 0.040 1 767 922 66 LYS CD C 29.286 0.080 1 768 922 66 LYS CE C 42.131 0.080 1 769 922 66 LYS N N 119.209 0.040 1 770 923 67 LYS H H 7.832 0.010 1 771 923 67 LYS HA H 4.094 0.010 1 772 923 67 LYS HB2 H 1.990 0.010 2 773 923 67 LYS HB3 H 1.990 0.010 2 774 923 67 LYS HG2 H 1.557 0.020 2 775 923 67 LYS HG3 H 1.428 0.020 2 776 923 67 LYS HD2 H 1.697 0.020 2 777 923 67 LYS HD3 H 1.697 0.020 2 778 923 67 LYS HE2 H 2.983 0.010 2 779 923 67 LYS HE3 H 2.983 0.010 2 780 923 67 LYS C C 178.611 0.020 1 781 923 67 LYS CA C 59.232 0.040 1 782 923 67 LYS CB C 32.597 0.043 1 783 923 67 LYS CG C 24.865 0.080 1 784 923 67 LYS CD C 29.653 0.080 1 785 923 67 LYS CE C 42.226 0.080 1 786 923 67 LYS N N 120.276 0.040 1 787 924 68 GLU H H 8.207 0.010 1 788 924 68 GLU HA H 4.117 0.020 1 789 924 68 GLU HB2 H 2.116 0.010 2 790 924 68 GLU HB3 H 2.116 0.010 2 791 924 68 GLU HG2 H 2.471 0.010 2 792 924 68 GLU HG3 H 2.264 0.010 2 793 924 68 GLU C C 178.918 0.020 1 794 924 68 GLU CA C 59.038 0.040 1 795 924 68 GLU CB C 29.561 0.040 1 796 924 68 GLU CG C 36.513 0.080 1 797 924 68 GLU CD C 183.653 0.020 1 798 924 68 GLU N N 119.401 0.053 1 799 925 69 LEU H H 7.972 0.010 1 800 925 69 LEU HA H 4.184 0.012 1 801 925 69 LEU HB2 H 1.818 0.010 2 802 925 69 LEU HB3 H 1.704 0.010 2 803 925 69 LEU HG H 1.739 0.010 1 804 925 69 LEU HD1 H 0.921 0.013 2 805 925 69 LEU HD2 H 0.943 0.010 2 806 925 69 LEU C C 179.316 0.020 1 807 925 69 LEU CA C 57.563 0.040 1 808 925 69 LEU CB C 41.949 0.047 1 809 925 69 LEU CG C 26.998 0.080 1 810 925 69 LEU CD1 C 23.933 0.040 1 811 925 69 LEU CD2 C 24.727 0.040 1 812 925 69 LEU N N 120.506 0.040 1 813 926 70 LEU H H 7.922 0.010 1 814 926 70 LEU HA H 4.172 0.010 1 815 926 70 LEU HB2 H 1.860 0.012 2 816 926 70 LEU HB3 H 1.699 0.010 2 817 926 70 LEU HG H 1.766 0.020 1 818 926 70 LEU HD1 H 0.920 0.010 2 819 926 70 LEU HD2 H 0.938 0.010 2 820 926 70 LEU C C 179.596 0.020 1 821 926 70 LEU CA C 57.671 0.055 1 822 926 70 LEU CB C 41.778 0.040 1 823 926 70 LEU CG C 26.897 0.080 1 824 926 70 LEU CD1 C 23.650 0.040 2 825 926 70 LEU CD2 C 24.960 0.052 2 826 926 70 LEU N N 120.321 0.040 1 827 927 71 GLU H H 8.134 0.010 1 828 927 71 GLU HA H 4.130 0.010 1 829 927 71 GLU HB2 H 2.114 0.020 2 830 927 71 GLU HB3 H 2.114 0.020 2 831 927 71 GLU HG2 H 2.477 0.010 2 832 927 71 GLU HG3 H 2.256 0.010 2 833 927 71 GLU C C 178.660 0.020 1 834 927 71 GLU CA C 58.697 0.040 1 835 927 71 GLU CB C 29.600 0.040 1 836 927 71 GLU CG C 36.650 0.080 1 837 927 71 GLU CD C 183.590 0.020 1 838 927 71 GLU N N 119.336 0.040 1 839 928 72 GLN H H 8.057 0.010 1 840 928 72 GLN HA H 4.151 0.010 1 841 928 72 GLN HB2 H 2.204 0.010 2 842 928 72 GLN HB3 H 2.204 0.010 2 843 928 72 GLN HG2 H 2.535 0.010 2 844 928 72 GLN HG3 H 2.460 0.010 2 845 928 72 GLN HE21 H 6.825 0.010 1 846 928 72 GLN HE22 H 7.528 0.010 1 847 928 72 GLN C C 178.022 0.021 1 848 928 72 GLN CA C 57.740 0.040 1 849 928 72 GLN CB C 28.612 0.040 1 850 928 72 GLN CG C 33.836 0.040 1 851 928 72 GLN CD C 180.277 0.020 1 852 928 72 GLN N N 118.917 0.040 1 853 928 72 GLN NE2 N 111.839 0.040 1 854 929 73 MET H H 8.129 0.010 1 855 929 73 MET HA H 4.292 0.010 1 856 929 73 MET HB2 H 2.179 0.010 2 857 929 73 MET HB3 H 2.179 0.010 2 858 929 73 MET HG2 H 2.604 0.010 2 859 929 73 MET HG3 H 2.748 0.010 2 860 929 73 MET HE H 2.113 0.020 1 861 929 73 MET C C 177.776 0.020 1 862 929 73 MET CA C 57.465 0.042 1 863 929 73 MET CB C 32.766 0.048 1 864 929 73 MET CG C 32.112 0.056 1 865 929 73 MET CE C 17.063 0.080 1 866 929 73 MET N N 119.488 0.070 1 867 930 74 GLU H H 8.148 0.010 1 868 930 74 GLU HA H 4.171 0.010 1 869 930 74 GLU HB2 H 2.088 0.010 2 870 930 74 GLU HB3 H 2.088 0.010 2 871 930 74 GLU HG2 H 2.365 0.010 2 872 930 74 GLU HG3 H 2.295 0.010 2 873 930 74 GLU C C 177.727 0.020 1 874 930 74 GLU CA C 57.924 0.040 1 875 930 74 GLU CB C 29.822 0.051 1 876 930 74 GLU CG C 36.252 0.080 1 877 930 74 GLU CD C 183.712 0.020 1 878 930 74 GLU N N 120.294 0.041 1 879 931 75 LYS H H 7.971 0.010 1 880 931 75 LYS HA H 4.184 0.010 1 881 931 75 LYS HB2 H 1.881 0.010 2 882 931 75 LYS HB3 H 1.829 0.010 2 883 931 75 LYS HG2 H 1.536 0.010 2 884 931 75 LYS HG3 H 1.449 0.010 2 885 931 75 LYS HD2 H 1.670 0.014 2 886 931 75 LYS HD3 H 1.670 0.014 2 887 931 75 LYS HE2 H 2.975 0.010 2 888 931 75 LYS HE3 H 2.975 0.010 2 889 931 75 LYS C C 177.226 0.020 1 890 931 75 LYS CA C 57.394 0.048 1 891 931 75 LYS CB C 32.756 0.040 1 892 931 75 LYS CG C 25.037 0.040 1 893 931 75 LYS CD C 29.208 0.040 1 894 931 75 LYS CE C 42.143 0.040 1 895 931 75 LYS N N 120.191 0.040 1 896 932 76 ALA H H 7.943 0.010 1 897 932 76 ALA HA H 4.257 0.010 1 898 932 76 ALA HB H 1.403 0.010 1 899 932 76 ALA C C 177.952 0.020 1 900 932 76 ALA CA C 52.874 0.040 1 901 932 76 ALA CB C 18.935 0.052 1 902 932 76 ALA N N 122.668 0.040 1 903 933 77 ARG H H 7.880 0.010 1 904 933 77 ARG HA H 4.093 0.010 1 905 933 77 ARG HB2 H 1.721 0.010 2 906 933 77 ARG HB3 H 1.695 0.010 2 907 933 77 ARG HG2 H 1.557 0.010 2 908 933 77 ARG HG3 H 1.466 0.010 2 909 933 77 ARG HD2 H 3.099 0.010 2 910 933 77 ARG HD3 H 3.099 0.010 2 911 933 77 ARG C C 176.188 0.020 1 912 933 77 ARG CA C 56.537 0.046 1 913 933 77 ARG CB C 30.570 0.042 1 914 933 77 ARG CG C 27.062 0.040 1 915 933 77 ARG CD C 43.373 0.040 1 916 933 77 ARG N N 118.821 0.040 1 917 934 78 HIS H H 8.018 0.010 1 918 934 78 HIS HA H 4.546 0.010 1 919 934 78 HIS HB2 H 2.953 0.010 2 920 934 78 HIS HB3 H 2.919 0.010 2 921 934 78 HIS HD2 H 6.885 0.010 1 922 934 78 HIS HE1 H 7.852 0.010 1 923 934 78 HIS C C 174.828 0.024 1 924 934 78 HIS CA C 55.976 0.040 1 925 934 78 HIS CB C 30.607 0.040 1 926 934 78 HIS CD2 C 120.181 0.080 1 927 934 78 HIS CE1 C 138.025 0.080 1 928 934 78 HIS N N 119.407 0.040 1 929 935 79 GLU H H 8.015 0.010 1 930 935 79 GLU HA H 4.262 0.010 1 931 935 79 GLU HB2 H 1.975 0.010 2 932 935 79 GLU HB3 H 1.810 0.010 2 933 935 79 GLU HG2 H 2.121 0.010 2 934 935 79 GLU HG3 H 2.091 0.010 2 935 935 79 GLU C C 175.005 0.020 1 936 935 79 GLU CA C 56.298 0.040 1 937 935 79 GLU CB C 30.429 0.041 1 938 935 79 GLU CG C 36.245 0.040 1 939 935 79 GLU CD C 184.134 0.020 1 940 935 79 GLU N N 121.654 0.040 1 941 936 80 TRP H H 7.654 0.010 1 942 936 80 TRP HA H 4.498 0.010 1 943 936 80 TRP HB2 H 3.341 0.010 2 944 936 80 TRP HB3 H 3.157 0.010 2 945 936 80 TRP HD1 H 7.181 0.010 1 946 936 80 TRP HE1 H 10.008 0.010 1 947 936 80 TRP HE3 H 7.660 0.010 1 948 936 80 TRP HZ2 H 7.420 0.010 1 949 936 80 TRP HZ3 H 7.131 0.010 1 950 936 80 TRP HH2 H 7.181 0.010 1 951 936 80 TRP C C 180.972 0.020 1 952 936 80 TRP CA C 58.462 0.040 1 953 936 80 TRP CB C 30.137 0.048 1 954 936 80 TRP CD1 C 126.922 0.080 1 955 936 80 TRP CE3 C 121.207 0.080 1 956 936 80 TRP CZ2 C 114.471 0.080 1 957 936 80 TRP CZ3 C 121.932 0.080 1 958 936 80 TRP CH2 C 124.462 0.080 1 959 936 80 TRP N N 126.893 0.040 1 960 936 80 TRP NE1 N 128.575 0.040 1 stop_ save_