data_19599 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Human EPRS R12 Repeats ; _BMRB_accession_number 19599 _BMRB_flat_file_name bmr19599.str _Entry_type original _Submission_date 2013-11-04 _Accession_date 2013-11-04 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shin ChinHo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 711 "13C chemical shifts" 520 "15N chemical shifts" 136 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-11 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 19598 'WHEP repeats' stop_ _Original_release_date 2014-02-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (13)C and (15)N resonance assignment of WHEP domains of human glutamyl-prolyl tRNA synthetase.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24378977 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shin Chinho . . 2 Hwang Geum-Sook . . 3 Ahn Hee-Chul . . 4 Kim Sunghoon . . 5 Kim Key-Sun . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'hman EPRS R12 repeats' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'human EPRS repeats' $human_EPRS_R12_repeats 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_human_EPRS_R12_repeats _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common human_EPRS_R12_repeats _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; DSLVLYNRVAVQGDVVRELK AKKAPKEDVDAAVKQLLSLK AEYKEKTGQEYKPGNPPAEI GQNISSNSSASILESKSLYD EVAAQGEVVRKLKAEKSPKA KINEAVECLLSLKAQYKEKT GKEYIPGQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ASP 2 2 SER 3 3 LEU 4 4 VAL 5 5 LEU 6 6 TYR 7 7 ASN 8 8 ARG 9 9 VAL 10 10 ALA 11 11 VAL 12 12 GLN 13 13 GLY 14 14 ASP 15 15 VAL 16 16 VAL 17 17 ARG 18 18 GLU 19 19 LEU 20 20 LYS 21 21 ALA 22 22 LYS 23 23 LYS 24 24 ALA 25 25 PRO 26 26 LYS 27 27 GLU 28 28 ASP 29 29 VAL 30 30 ASP 31 31 ALA 32 32 ALA 33 33 VAL 34 34 LYS 35 35 GLN 36 36 LEU 37 37 LEU 38 38 SER 39 39 LEU 40 40 LYS 41 41 ALA 42 42 GLU 43 43 TYR 44 44 LYS 45 45 GLU 46 46 LYS 47 47 THR 48 48 GLY 49 49 GLN 50 50 GLU 51 51 TYR 52 52 LYS 53 53 PRO 54 54 GLY 55 55 ASN 56 56 PRO 57 57 PRO 58 58 ALA 59 59 GLU 60 60 ILE 61 61 GLY 62 62 GLN 63 63 ASN 64 64 ILE 65 65 SER 66 66 SER 67 67 ASN 68 68 SER 69 69 SER 70 70 ALA 71 71 SER 72 72 ILE 73 73 LEU 74 74 GLU 75 75 SER 76 76 LYS 77 77 SER 78 78 LEU 79 79 TYR 80 80 ASP 81 81 GLU 82 82 VAL 83 83 ALA 84 84 ALA 85 85 GLN 86 86 GLY 87 87 GLU 88 88 VAL 89 89 VAL 90 90 ARG 91 91 LYS 92 92 LEU 93 93 LYS 94 94 ALA 95 95 GLU 96 96 LYS 97 97 SER 98 98 PRO 99 99 LYS 100 100 ALA 101 101 LYS 102 102 ILE 103 103 ASN 104 104 GLU 105 105 ALA 106 106 VAL 107 107 GLU 108 108 CYS 109 109 LEU 110 110 LEU 111 111 SER 112 112 LEU 113 113 LYS 114 114 ALA 115 115 GLN 116 116 TYR 117 117 LYS 118 118 GLU 119 119 LYS 120 120 THR 121 121 GLY 122 122 LYS 123 123 GLU 124 124 TYR 125 125 ILE 126 126 PRO 127 127 GLY 128 128 GLN 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 $human_EPRS_R12_repeats 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 $human_EPRS_R12_repeats 'recombinant technology' . Escherichia coli . pET15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $human_EPRS_R12_repeats 2 mM '[U-95% 13C; U-90% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 900 _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-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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 5 . pH pressure 1 . atm temperature 273 . 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 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 CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HCCH-TOCSY' 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 'human EPRS repeats' _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 1 1 ASP H H 8.275 0.008 1 2 1 1 ASP HA H 4.493 0.004 1 3 1 1 ASP HB3 H 2.738 0.003 1 4 1 1 ASP C C 177.656 0.000 1 5 1 1 ASP CA C 55.720 0.026 1 6 1 1 ASP CB C 40.782 0.066 1 7 1 1 ASP N N 121.101 0.039 1 8 2 2 SER H H 8.488 0.008 1 9 2 2 SER HA H 4.130 0.008 1 10 2 2 SER HB2 H 3.806 0.007 2 11 2 2 SER HB3 H 3.922 0.002 2 12 2 2 SER C C 175.033 0.000 1 13 2 2 SER CA C 61.743 0.050 1 14 2 2 SER CB C 62.613 0.054 1 15 2 2 SER N N 117.261 0.027 1 16 3 3 LEU H H 8.092 0.006 1 17 3 3 LEU HA H 4.178 0.017 1 18 3 3 LEU HB2 H 1.887 0.008 2 19 3 3 LEU HB3 H 1.585 0.007 2 20 3 3 LEU HG H 1.628 0.017 1 21 3 3 LEU HD1 H 0.940 0.004 2 22 3 3 LEU HD2 H 0.897 0.005 2 23 3 3 LEU C C 178.206 0.000 1 24 3 3 LEU CA C 57.768 0.186 1 25 3 3 LEU CB C 41.796 0.135 1 26 3 3 LEU CG C 27.141 0.047 1 27 3 3 LEU CD1 C 23.962 0.150 2 28 3 3 LEU CD2 C 24.827 0.000 2 29 3 3 LEU N N 124.633 0.042 1 30 4 4 VAL H H 7.960 0.004 1 31 4 4 VAL HA H 3.759 0.005 1 32 4 4 VAL HB H 2.176 0.005 1 33 4 4 VAL HG1 H 0.959 0.006 2 34 4 4 VAL HG2 H 1.097 0.005 2 35 4 4 VAL C C 179.037 0.000 1 36 4 4 VAL CA C 66.406 0.078 1 37 4 4 VAL CB C 31.871 0.059 1 38 4 4 VAL CG1 C 21.118 0.089 2 39 4 4 VAL CG2 C 22.794 0.037 2 40 4 4 VAL N N 119.898 0.020 1 41 5 5 LEU H H 7.772 0.009 1 42 5 5 LEU HA H 4.132 0.011 1 43 5 5 LEU HB3 H 1.890 0.011 1 44 5 5 LEU HG H 1.833 0.007 1 45 5 5 LEU HD1 H 0.931 0.007 1 46 5 5 LEU C C 177.688 0.000 1 47 5 5 LEU CA C 58.164 0.039 1 48 5 5 LEU CB C 42.189 0.065 1 49 5 5 LEU CG C 27.642 0.052 1 50 5 5 LEU CD1 C 24.908 0.142 1 51 5 5 LEU N N 119.927 0.042 1 52 6 6 TYR H H 8.745 0.003 1 53 6 6 TYR HA H 3.756 0.006 1 54 6 6 TYR HB2 H 3.405 0.016 2 55 6 6 TYR HB3 H 3.442 0.009 2 56 6 6 TYR HD1 H 7.069 0.031 3 57 6 6 TYR HD2 H 7.069 0.031 3 58 6 6 TYR HE1 H 6.638 0.001 3 59 6 6 TYR HE2 H 6.638 0.001 3 60 6 6 TYR C C 176.756 0.000 1 61 6 6 TYR CA C 62.687 0.057 1 62 6 6 TYR CB C 38.951 0.043 1 63 6 6 TYR N N 120.278 0.027 1 64 7 7 ASN H H 8.495 0.006 1 65 7 7 ASN HA H 4.500 0.004 1 66 7 7 ASN HB2 H 2.853 0.004 2 67 7 7 ASN HB3 H 2.980 0.006 2 68 7 7 ASN HD21 H 7.571 0.003 1 69 7 7 ASN HD22 H 6.869 0.007 1 70 7 7 ASN C C 177.225 0.000 1 71 7 7 ASN CA C 55.888 0.139 1 72 7 7 ASN CB C 38.179 0.053 1 73 7 7 ASN N N 116.666 0.033 1 74 7 7 ASN ND2 N 111.193 0.206 1 75 8 8 ARG H H 8.131 0.005 1 76 8 8 ARG HA H 4.005 0.009 1 77 8 8 ARG HB2 H 1.938 0.004 2 78 8 8 ARG HB3 H 2.059 0.008 2 79 8 8 ARG HG3 H 1.683 0.005 1 80 8 8 ARG HD2 H 3.167 0.006 2 81 8 8 ARG HD3 H 3.101 0.013 2 82 8 8 ARG HE H 7.209 0.002 1 83 8 8 ARG C C 179.295 0.000 1 84 8 8 ARG CA C 59.749 0.070 1 85 8 8 ARG CB C 30.334 0.130 1 86 8 8 ARG CG C 27.804 0.071 1 87 8 8 ARG CD C 43.874 0.093 1 88 8 8 ARG N N 119.944 0.029 1 89 8 8 ARG NE N 84.047 0.000 1 90 9 9 VAL H H 7.877 0.007 1 91 9 9 VAL HA H 3.084 0.006 1 92 9 9 VAL HB H 1.442 0.006 1 93 9 9 VAL HG1 H 0.570 0.004 2 94 9 9 VAL HG2 H -0.484 0.003 2 95 9 9 VAL C C 177.367 0.000 1 96 9 9 VAL CA C 66.544 0.045 1 97 9 9 VAL CB C 31.369 0.183 1 98 9 9 VAL CG1 C 22.082 0.050 2 99 9 9 VAL CG2 C 21.368 0.087 2 100 9 9 VAL N N 120.326 0.011 1 101 10 10 ALA H H 7.681 0.007 1 102 10 10 ALA HA H 3.771 0.003 1 103 10 10 ALA HB H 1.416 0.004 1 104 10 10 ALA C C 180.857 0.000 1 105 10 10 ALA CA C 55.481 0.036 1 106 10 10 ALA CB C 18.134 0.044 1 107 10 10 ALA N N 122.609 0.061 1 108 11 11 VAL H H 8.286 0.007 1 109 11 11 VAL HA H 3.762 0.006 1 110 11 11 VAL HB H 2.033 0.003 1 111 11 11 VAL HG1 H 0.946 0.005 2 112 11 11 VAL HG2 H 1.077 0.004 2 113 11 11 VAL C C 178.299 0.000 1 114 11 11 VAL CA C 66.153 0.050 1 115 11 11 VAL CB C 32.104 0.084 1 116 11 11 VAL CG1 C 21.146 0.011 2 117 11 11 VAL CG2 C 23.120 0.058 2 118 11 11 VAL N N 118.494 0.039 1 119 12 12 GLN H H 7.721 0.009 1 120 12 12 GLN HA H 4.093 0.009 1 121 12 12 GLN HB2 H 1.864 0.006 2 122 12 12 GLN HB3 H 2.064 0.012 2 123 12 12 GLN HG2 H 2.304 0.008 2 124 12 12 GLN HG3 H 2.018 0.011 2 125 12 12 GLN HE21 H 7.139 0.007 1 126 12 12 GLN HE22 H 7.559 0.008 1 127 12 12 GLN C C 178.108 0.000 1 128 12 12 GLN CA C 57.390 0.050 1 129 12 12 GLN CB C 26.236 0.063 1 130 12 12 GLN CG C 32.029 0.111 1 131 12 12 GLN N N 120.547 0.043 1 132 12 12 GLN NE2 N 110.428 0.035 1 133 13 13 GLY H H 8.630 0.007 1 134 13 13 GLY HA2 H 3.941 0.007 2 135 13 13 GLY HA3 H 3.648 0.004 2 136 13 13 GLY C C 176.318 0.000 1 137 13 13 GLY CA C 47.244 0.034 1 138 13 13 GLY N N 108.549 0.048 1 139 14 14 ASP H H 7.668 0.008 1 140 14 14 ASP HA H 4.510 0.008 1 141 14 14 ASP HB2 H 2.712 0.002 2 142 14 14 ASP HB3 H 2.965 0.004 2 143 14 14 ASP C C 177.772 0.000 1 144 14 14 ASP CA C 57.394 0.051 1 145 14 14 ASP CB C 40.137 0.058 1 146 14 14 ASP N N 124.046 0.032 1 147 15 15 VAL H H 7.984 0.010 1 148 15 15 VAL HA H 3.635 0.024 1 149 15 15 VAL HB H 2.309 0.005 1 150 15 15 VAL HG1 H 1.005 0.010 2 151 15 15 VAL HG2 H 0.884 0.004 2 152 15 15 VAL C C 178.170 0.000 1 153 15 15 VAL CA C 66.717 0.024 1 154 15 15 VAL CB C 31.484 0.059 1 155 15 15 VAL CG1 C 22.702 0.022 2 156 15 15 VAL CG2 C 20.980 0.071 2 157 15 15 VAL N N 123.303 0.033 1 158 16 16 VAL H H 7.912 0.009 1 159 16 16 VAL HA H 3.311 0.005 1 160 16 16 VAL HB H 2.194 0.006 1 161 16 16 VAL HG1 H 0.867 0.004 2 162 16 16 VAL HG2 H 1.033 0.013 2 163 16 16 VAL C C 176.679 0.000 1 164 16 16 VAL CA C 67.678 0.020 1 165 16 16 VAL CB C 31.961 0.057 1 166 16 16 VAL CG1 C 21.812 0.039 2 167 16 16 VAL CG2 C 24.199 0.026 2 168 16 16 VAL N N 118.379 0.045 1 169 17 17 ARG H H 7.738 0.007 1 170 17 17 ARG HA H 3.862 0.013 1 171 17 17 ARG HB2 H 1.952 0.010 2 172 17 17 ARG HB3 H 2.011 0.002 2 173 17 17 ARG HG2 H 1.550 0.009 2 174 17 17 ARG HG3 H 1.761 0.007 2 175 17 17 ARG HD2 H 3.204 0.001 2 176 17 17 ARG HD3 H 3.245 0.020 2 177 17 17 ARG HE H 7.323 0.002 1 178 17 17 ARG C C 179.176 0.000 1 179 17 17 ARG CA C 60.026 0.058 1 180 17 17 ARG CB C 30.161 0.022 1 181 17 17 ARG CG C 27.467 0.048 1 182 17 17 ARG CD C 43.145 0.042 1 183 17 17 ARG N N 117.818 0.019 1 184 17 17 ARG NE N 83.140 0.000 1 185 18 18 GLU H H 8.404 0.009 1 186 18 18 GLU HA H 4.084 0.008 1 187 18 18 GLU HB2 H 2.121 0.011 2 188 18 18 GLU HB3 H 2.083 0.009 2 189 18 18 GLU HG2 H 2.271 0.003 2 190 18 18 GLU HG3 H 2.344 0.008 2 191 18 18 GLU C C 178.429 0.000 1 192 18 18 GLU CA C 59.187 0.018 1 193 18 18 GLU CB C 29.059 0.108 1 194 18 18 GLU CG C 35.618 0.026 1 195 18 18 GLU N N 120.693 0.078 1 196 19 19 LEU H H 8.407 0.007 1 197 19 19 LEU HA H 3.926 0.008 1 198 19 19 LEU HB2 H 1.177 0.010 2 199 19 19 LEU HB3 H 1.915 0.012 2 200 19 19 LEU HG H 1.900 0.008 1 201 19 19 LEU HD1 H 0.738 0.012 2 202 19 19 LEU HD2 H 0.673 0.013 2 203 19 19 LEU C C 179.206 0.000 1 204 19 19 LEU CA C 58.095 0.066 1 205 19 19 LEU CB C 42.698 0.072 1 206 19 19 LEU CG C 26.651 0.020 1 207 19 19 LEU CD1 C 22.677 0.057 2 208 19 19 LEU CD2 C 27.497 0.064 2 209 19 19 LEU N N 119.949 0.053 1 210 20 20 LYS H H 8.081 0.007 1 211 20 20 LYS HA H 4.019 0.015 1 212 20 20 LYS HB3 H 1.827 0.009 1 213 20 20 LYS HG2 H 1.360 0.015 2 214 20 20 LYS HG3 H 1.692 0.007 2 215 20 20 LYS HD3 H 1.599 0.023 1 216 20 20 LYS HE2 H 2.840 0.002 2 217 20 20 LYS HE3 H 2.685 0.004 2 218 20 20 LYS C C 180.509 0.000 1 219 20 20 LYS CA C 59.897 0.080 1 220 20 20 LYS CB C 32.593 0.085 1 221 20 20 LYS CG C 26.796 0.062 1 222 20 20 LYS CD C 30.076 0.090 1 223 20 20 LYS CE C 41.803 0.000 1 224 20 20 LYS N N 116.827 0.020 1 225 21 21 ALA H H 8.263 0.006 1 226 21 21 ALA HA H 4.113 0.009 1 227 21 21 ALA HB H 1.510 0.002 1 228 21 21 ALA C C 178.989 0.000 1 229 21 21 ALA CA C 54.988 0.023 1 230 21 21 ALA CB C 18.180 0.041 1 231 21 21 ALA N N 123.588 0.041 1 232 22 22 LYS H H 7.838 0.005 1 233 22 22 LYS HA H 4.292 0.009 1 234 22 22 LYS HB3 H 1.889 0.006 1 235 22 22 LYS HG2 H 1.505 0.002 2 236 22 22 LYS HG3 H 1.614 0.006 2 237 22 22 LYS HD3 H 1.630 0.008 1 238 22 22 LYS HE3 H 2.920 0.008 1 239 22 22 LYS C C 175.189 0.000 1 240 22 22 LYS CA C 55.670 0.014 1 241 22 22 LYS CB C 32.108 0.035 1 242 22 22 LYS CG C 24.821 0.046 1 243 22 22 LYS CD C 29.271 0.047 1 244 22 22 LYS CE C 42.090 0.045 1 245 22 22 LYS N N 115.144 0.016 1 246 23 23 LYS H H 7.833 0.005 1 247 23 23 LYS HA H 3.868 0.006 1 248 23 23 LYS HB2 H 1.810 0.004 2 249 23 23 LYS HB3 H 2.013 0.006 2 250 23 23 LYS HG3 H 1.328 0.003 1 251 23 23 LYS HD3 H 1.645 0.024 1 252 23 23 LYS HE3 H 2.974 0.003 1 253 23 23 LYS C C 175.383 0.000 1 254 23 23 LYS CA C 56.847 0.102 1 255 23 23 LYS CB C 28.677 0.155 1 256 23 23 LYS CG C 24.923 0.093 1 257 23 23 LYS N N 117.379 0.032 1 258 24 24 ALA H H 7.727 0.004 1 259 24 24 ALA HA H 4.394 0.003 1 260 24 24 ALA HB H 1.316 0.010 1 261 24 24 ALA CA C 51.241 0.037 1 262 24 24 ALA CB C 18.516 0.058 1 263 24 24 ALA N N 120.704 0.050 1 264 25 25 PRO HA H 4.326 0.008 1 265 25 25 PRO HB2 H 2.442 0.003 2 266 25 25 PRO HB3 H 1.839 0.007 2 267 25 25 PRO HG2 H 2.016 0.010 2 268 25 25 PRO HG3 H 2.104 0.000 2 269 25 25 PRO HD2 H 3.672 0.001 2 270 25 25 PRO HD3 H 3.837 0.013 2 271 25 25 PRO C C 177.152 0.000 1 272 25 25 PRO CA C 63.107 0.072 1 273 25 25 PRO CB C 32.545 0.160 1 274 25 25 PRO CG C 28.349 0.179 1 275 25 25 PRO CD C 50.242 0.056 1 276 26 26 LYS H H 8.670 0.003 1 277 26 26 LYS HA H 3.831 0.002 1 278 26 26 LYS HB2 H 1.711 0.001 2 279 26 26 LYS HB3 H 1.910 0.005 2 280 26 26 LYS HG3 H 1.401 0.004 1 281 26 26 LYS HD3 H 1.620 0.019 1 282 26 26 LYS HE3 H 3.002 0.000 1 283 26 26 LYS C C 177.313 0.000 1 284 26 26 LYS CA C 59.966 0.118 1 285 26 26 LYS CB C 32.690 0.091 1 286 26 26 LYS CG C 24.574 0.114 1 287 26 26 LYS N N 125.095 0.035 1 288 27 27 GLU H H 9.371 0.006 1 289 27 27 GLU HA H 4.085 0.004 1 290 27 27 GLU HB2 H 1.980 0.004 1 291 27 27 GLU HG2 H 2.320 0.008 2 292 27 27 GLU HG3 H 2.421 0.012 2 293 27 27 GLU C C 178.844 0.000 1 294 27 27 GLU CA C 60.047 0.072 1 295 27 27 GLU CB C 28.510 0.052 1 296 27 27 GLU CG C 36.142 0.109 1 297 27 27 GLU N N 116.113 0.015 1 298 28 28 ASP H H 7.426 0.010 1 299 28 28 ASP HA H 4.454 0.008 1 300 28 28 ASP HB2 H 2.546 0.001 2 301 28 28 ASP HB3 H 2.798 0.012 2 302 28 28 ASP C C 178.788 0.000 1 303 28 28 ASP CA C 56.752 0.056 1 304 28 28 ASP CB C 40.029 0.038 1 305 28 28 ASP N N 120.445 0.053 1 306 29 29 VAL H H 7.761 0.006 1 307 29 29 VAL HA H 3.392 0.012 1 308 29 29 VAL HB H 2.118 0.009 1 309 29 29 VAL HG1 H 0.897 0.006 2 310 29 29 VAL HG2 H 0.833 0.012 2 311 29 29 VAL C C 177.133 0.000 1 312 29 29 VAL CA C 67.462 0.040 1 313 29 29 VAL CB C 31.865 0.029 1 314 29 29 VAL CG1 C 22.113 0.035 2 315 29 29 VAL CG2 C 22.847 0.033 2 316 29 29 VAL N N 122.683 0.023 1 317 30 30 ASP H H 9.096 0.005 1 318 30 30 ASP HA H 4.272 0.005 1 319 30 30 ASP HB2 H 2.546 0.006 2 320 30 30 ASP HB3 H 2.673 0.005 2 321 30 30 ASP C C 179.100 0.000 1 322 30 30 ASP CA C 57.429 0.025 1 323 30 30 ASP CB C 39.887 0.064 1 324 30 30 ASP N N 119.161 0.015 1 325 31 31 ALA H H 7.577 0.009 1 326 31 31 ALA HA H 4.124 0.010 1 327 31 31 ALA HB H 1.502 0.002 1 328 31 31 ALA C C 179.758 0.000 1 329 31 31 ALA CA C 55.130 0.070 1 330 31 31 ALA CB C 18.191 0.064 1 331 31 31 ALA N N 121.464 0.018 1 332 32 32 ALA H H 7.654 0.012 1 333 32 32 ALA HA H 4.079 0.005 1 334 32 32 ALA HB H 1.426 0.007 1 335 32 32 ALA C C 180.394 0.000 1 336 32 32 ALA CA C 54.602 0.051 1 337 32 32 ALA CB C 19.199 0.040 1 338 32 32 ALA N N 122.503 0.058 1 339 33 33 VAL H H 8.937 0.007 1 340 33 33 VAL HA H 3.536 0.005 1 341 33 33 VAL HB H 2.202 0.006 1 342 33 33 VAL HG1 H 1.076 0.015 2 343 33 33 VAL HG2 H 0.925 0.007 2 344 33 33 VAL C C 177.249 0.000 1 345 33 33 VAL CA C 66.712 0.042 1 346 33 33 VAL CB C 32.039 0.039 1 347 33 33 VAL CG1 C 24.142 0.019 2 348 33 33 VAL CG2 C 21.180 0.040 2 349 33 33 VAL N N 122.811 0.034 1 350 34 34 LYS H H 8.231 0.006 1 351 34 34 LYS HA H 3.929 0.006 1 352 34 34 LYS HB3 H 1.916 0.008 1 353 34 34 LYS HG2 H 1.384 0.003 2 354 34 34 LYS HG3 H 1.525 0.007 2 355 34 34 LYS HE3 H 2.929 0.002 1 356 34 34 LYS C C 179.422 0.000 1 357 34 34 LYS CA C 60.245 0.105 1 358 34 34 LYS CB C 32.193 0.030 1 359 34 34 LYS CG C 25.358 0.113 1 360 34 34 LYS N N 120.878 0.046 1 361 35 35 GLN H H 7.611 0.006 1 362 35 35 GLN HA H 4.271 0.002 1 363 35 35 GLN HB2 H 2.161 0.015 2 364 35 35 GLN HB3 H 1.981 0.014 2 365 35 35 GLN HG2 H 2.343 0.011 2 366 35 35 GLN HG3 H 2.216 0.004 2 367 35 35 GLN HE21 H 6.870 0.003 1 368 35 35 GLN HE22 H 7.126 0.006 1 369 35 35 GLN C C 177.677 0.000 1 370 35 35 GLN CA C 58.213 0.097 1 371 35 35 GLN CB C 28.165 0.104 1 372 35 35 GLN CG C 32.970 0.120 1 373 35 35 GLN N N 118.379 0.019 1 374 35 35 GLN NE2 N 110.030 0.238 1 375 36 36 LEU H H 8.022 0.010 1 376 36 36 LEU HA H 3.857 0.006 1 377 36 36 LEU HB2 H 2.460 0.003 2 378 36 36 LEU HB3 H 1.334 0.010 2 379 36 36 LEU HG H 1.357 0.008 1 380 36 36 LEU HD1 H 0.939 0.005 2 381 36 36 LEU HD2 H 0.725 0.003 2 382 36 36 LEU C C 177.377 0.000 1 383 36 36 LEU CA C 58.667 0.037 1 384 36 36 LEU CB C 42.090 0.093 1 385 36 36 LEU CG C 27.068 0.097 1 386 36 36 LEU CD1 C 26.571 0.033 2 387 36 36 LEU CD2 C 24.152 0.049 2 388 36 36 LEU N N 121.723 0.012 1 389 37 37 LEU H H 8.708 0.005 1 390 37 37 LEU HA H 3.916 0.006 1 391 37 37 LEU HB2 H 1.521 0.005 2 392 37 37 LEU HB3 H 1.898 0.011 2 393 37 37 LEU HG H 1.864 0.005 1 394 37 37 LEU HD1 H 0.860 0.008 2 395 37 37 LEU HD2 H 0.835 0.002 2 396 37 37 LEU C C 180.320 0.000 1 397 37 37 LEU CA C 58.366 0.064 1 398 37 37 LEU CB C 41.048 0.044 1 399 37 37 LEU CG C 27.026 0.029 1 400 37 37 LEU CD1 C 25.307 0.039 2 401 37 37 LEU CD2 C 22.676 0.026 2 402 37 37 LEU N N 118.584 0.048 1 403 38 38 SER H H 8.091 0.008 1 404 38 38 SER HA H 4.277 0.002 1 405 38 38 SER HB3 H 3.991 0.009 1 406 38 38 SER C C 177.212 0.000 1 407 38 38 SER CA C 61.713 0.090 1 408 38 38 SER CB C 62.606 0.077 1 409 38 38 SER N N 116.735 0.031 1 410 39 39 LEU H H 8.269 0.006 1 411 39 39 LEU HA H 4.141 0.008 1 412 39 39 LEU HB2 H 1.280 0.012 2 413 39 39 LEU HB3 H 1.914 0.008 2 414 39 39 LEU HG H 1.817 0.010 1 415 39 39 LEU HD1 H 0.780 0.008 2 416 39 39 LEU HD2 H 0.703 0.008 2 417 39 39 LEU C C 179.142 0.000 1 418 39 39 LEU CA C 57.914 0.091 1 419 39 39 LEU CB C 42.737 0.150 1 420 39 39 LEU CG C 26.913 0.151 1 421 39 39 LEU CD1 C 22.651 0.050 2 422 39 39 LEU CD2 C 26.633 0.057 2 423 39 39 LEU N N 123.633 0.023 1 424 40 40 LYS H H 8.573 0.009 1 425 40 40 LYS HA H 3.735 0.003 1 426 40 40 LYS HB2 H 1.885 0.018 2 427 40 40 LYS HB3 H 2.022 0.010 2 428 40 40 LYS HG2 H 1.621 0.004 2 429 40 40 LYS HG3 H 0.894 0.014 2 430 40 40 LYS HD3 H 1.637 0.013 1 431 40 40 LYS HE2 H 2.751 0.002 2 432 40 40 LYS HE3 H 2.665 0.008 2 433 40 40 LYS C C 179.300 0.000 1 434 40 40 LYS CA C 61.341 0.011 1 435 40 40 LYS CB C 32.503 0.084 1 436 40 40 LYS CG C 28.217 0.022 1 437 40 40 LYS CD C 30.074 0.093 1 438 40 40 LYS CE C 41.820 0.138 1 439 40 40 LYS N N 119.390 0.013 1 440 41 41 ALA H H 8.108 0.003 1 441 41 41 ALA HA H 4.284 0.005 1 442 41 41 ALA HB H 1.563 0.006 1 443 41 41 ALA C C 180.044 0.000 1 444 41 41 ALA CA C 55.263 0.038 1 445 41 41 ALA CB C 17.690 0.025 1 446 41 41 ALA N N 124.112 0.014 1 447 42 42 GLU H H 8.251 0.003 1 448 42 42 GLU HA H 4.079 0.007 1 449 42 42 GLU HB2 H 2.182 0.003 2 450 42 42 GLU HB3 H 2.167 0.006 2 451 42 42 GLU HG2 H 2.200 0.004 2 452 42 42 GLU HG3 H 2.436 0.007 2 453 42 42 GLU C C 177.850 0.000 1 454 42 42 GLU CA C 59.304 0.062 1 455 42 42 GLU CB C 29.514 0.017 1 456 42 42 GLU CG C 35.955 0.025 1 457 42 42 GLU N N 121.718 0.041 1 458 43 43 TYR H H 8.636 0.006 1 459 43 43 TYR HA H 3.942 0.001 1 460 43 43 TYR HB2 H 2.955 0.007 2 461 43 43 TYR HB3 H 3.298 0.004 2 462 43 43 TYR HD1 H 7.162 0.006 3 463 43 43 TYR HD2 H 7.162 0.006 3 464 43 43 TYR HE1 H 6.854 0.005 3 465 43 43 TYR HE2 H 6.854 0.005 3 466 43 43 TYR C C 177.791 0.000 1 467 43 43 TYR CA C 63.060 0.065 1 468 43 43 TYR CB C 38.770 0.034 1 469 43 43 TYR N N 120.318 0.023 1 470 44 44 LYS H H 8.053 0.006 1 471 44 44 LYS HA H 4.437 0.013 1 472 44 44 LYS HB3 H 1.991 0.012 1 473 44 44 LYS HG2 H 1.046 0.002 2 474 44 44 LYS HG3 H 1.350 0.006 2 475 44 44 LYS HD2 H 1.466 0.002 2 476 44 44 LYS HD3 H 1.546 0.001 2 477 44 44 LYS HE3 H 2.872 0.010 1 478 44 44 LYS C C 179.345 0.000 1 479 44 44 LYS CA C 58.412 0.039 1 480 44 44 LYS CB C 32.322 0.024 1 481 44 44 LYS CG C 24.726 0.035 1 482 44 44 LYS CD C 29.337 0.089 1 483 44 44 LYS CE C 42.258 0.040 1 484 44 44 LYS N N 122.817 0.027 1 485 45 45 GLU H H 8.232 0.009 1 486 45 45 GLU HA H 3.936 0.006 1 487 45 45 GLU HB2 H 2.133 0.004 1 488 45 45 GLU HG2 H 2.243 0.002 2 489 45 45 GLU HG3 H 2.331 0.013 2 490 45 45 GLU C C 178.187 0.000 1 491 45 45 GLU CA C 59.270 0.026 1 492 45 45 GLU CB C 29.340 0.067 1 493 45 45 GLU CG C 35.660 0.035 1 494 45 45 GLU N N 120.753 0.081 1 495 46 46 LYS H H 8.235 0.005 1 496 46 46 LYS HA H 4.137 0.003 1 497 46 46 LYS HB3 H 1.770 0.010 1 498 46 46 LYS HG2 H 1.439 0.009 2 499 46 46 LYS HG3 H 1.543 0.011 2 500 46 46 LYS HD3 H 1.646 0.008 1 501 46 46 LYS HE3 H 2.933 0.009 1 502 46 46 LYS C C 178.100 0.000 1 503 46 46 LYS CA C 58.126 0.115 1 504 46 46 LYS CB C 33.120 0.022 1 505 46 46 LYS CG C 25.641 0.145 1 506 46 46 LYS CD C 29.066 0.203 1 507 46 46 LYS CE C 42.192 0.035 1 508 46 46 LYS N N 115.615 0.018 1 509 47 47 THR H H 8.035 0.005 1 510 47 47 THR HA H 4.367 0.009 1 511 47 47 THR HB H 4.065 0.018 1 512 47 47 THR HG1 H 2.712 0.005 1 513 47 47 THR HG2 H 0.767 0.006 1 514 47 47 THR C C 176.028 0.000 1 515 47 47 THR CA C 62.493 0.014 1 516 47 47 THR CB C 71.245 0.064 1 517 47 47 THR CG2 C 19.517 0.119 1 518 47 47 THR N N 106.193 0.049 1 519 48 48 GLY H H 8.149 0.006 1 520 48 48 GLY HA2 H 4.230 0.008 2 521 48 48 GLY HA3 H 3.794 0.003 2 522 48 48 GLY C C 173.013 0.000 1 523 48 48 GLY CA C 45.589 0.059 1 524 48 48 GLY N N 111.920 0.016 1 525 49 49 GLN H H 8.252 0.005 1 526 49 49 GLN HA H 4.606 0.008 1 527 49 49 GLN HB2 H 1.922 0.004 2 528 49 49 GLN HB3 H 2.105 0.005 2 529 49 49 GLN HG3 H 2.263 0.003 1 530 49 49 GLN HE21 H 6.862 0.005 1 531 49 49 GLN HE22 H 7.465 0.001 1 532 49 49 GLN C C 173.151 0.000 1 533 49 49 GLN CA C 53.527 0.106 1 534 49 49 GLN CB C 31.870 0.093 1 535 49 49 GLN CG C 33.349 0.131 1 536 49 49 GLN N N 119.592 0.021 1 537 49 49 GLN NE2 N 112.115 0.225 1 538 50 50 GLU H H 8.271 0.003 1 539 50 50 GLU HA H 4.392 0.008 1 540 50 50 GLU HB2 H 1.960 0.003 2 541 50 50 GLU HB3 H 1.889 0.006 2 542 50 50 GLU HG2 H 2.293 0.000 2 543 50 50 GLU HG3 H 2.358 0.011 2 544 50 50 GLU C C 177.266 0.000 1 545 50 50 GLU CA C 55.711 0.026 1 546 50 50 GLU CB C 30.495 0.084 1 547 50 50 GLU CG C 36.247 0.000 1 548 50 50 GLU N N 118.004 0.014 1 549 51 51 TYR H H 9.347 0.004 1 550 51 51 TYR HA H 3.865 0.001 1 551 51 51 TYR HB2 H 2.450 0.002 2 552 51 51 TYR HB3 H 2.642 0.002 2 553 51 51 TYR HD1 H 6.206 0.008 3 554 51 51 TYR HD2 H 6.206 0.008 3 555 51 51 TYR HE1 H 6.038 0.011 3 556 51 51 TYR HE2 H 6.038 0.011 3 557 51 51 TYR C C 173.974 0.000 1 558 51 51 TYR CA C 60.281 0.059 1 559 51 51 TYR CB C 38.283 0.022 1 560 51 51 TYR N N 125.838 0.034 1 561 52 52 LYS H H 7.760 0.004 1 562 52 52 LYS HA H 4.484 0.004 1 563 52 52 LYS HB2 H 1.576 0.014 2 564 52 52 LYS HB3 H 1.663 0.013 2 565 52 52 LYS HG2 H 1.278 0.010 2 566 52 52 LYS HG3 H 1.323 0.015 2 567 52 52 LYS HD3 H 1.599 0.005 1 568 52 52 LYS HE3 H 2.894 0.000 1 569 52 52 LYS CA C 52.515 0.058 1 570 52 52 LYS CB C 34.578 0.091 1 571 52 52 LYS CG C 24.440 0.199 1 572 52 52 LYS CD C 29.047 0.031 1 573 52 52 LYS CE C 41.737 0.001 1 574 52 52 LYS N N 130.404 0.014 1 575 53 53 PRO HA H 4.047 0.004 1 576 53 53 PRO HB2 H 2.265 0.010 2 577 53 53 PRO HB3 H 1.891 0.003 2 578 53 53 PRO HG2 H 2.003 0.012 1 579 53 53 PRO HD2 H 3.490 0.013 2 580 53 53 PRO HD3 H 3.603 0.004 2 581 53 53 PRO C C 176.980 0.000 1 582 53 53 PRO CA C 62.981 0.164 1 583 53 53 PRO CB C 31.924 0.096 1 584 53 53 PRO CG C 27.236 0.033 1 585 53 53 PRO CD C 50.998 0.101 1 586 54 54 GLY H H 8.550 0.006 1 587 54 54 GLY HA2 H 4.010 0.014 2 588 54 54 GLY HA3 H 3.780 0.003 2 589 54 54 GLY C C 173.111 0.000 1 590 54 54 GLY CA C 45.773 0.046 1 591 54 54 GLY N N 110.763 0.023 1 592 55 55 ASN H H 7.835 0.002 1 593 55 55 ASN HA H 5.076 0.004 1 594 55 55 ASN HB2 H 2.345 0.003 2 595 55 55 ASN HB3 H 2.646 0.004 2 596 55 55 ASN HD21 H 6.846 0.003 1 597 55 55 ASN HD22 H 7.066 0.003 1 598 55 55 ASN CA C 50.901 0.050 1 599 55 55 ASN CB C 39.980 0.052 1 600 55 55 ASN N N 118.274 0.014 1 601 55 55 ASN ND2 N 112.000 0.215 1 602 56 56 PRO HA H 4.166 0.008 1 603 56 56 PRO HB2 H 2.167 0.003 2 604 56 56 PRO HB3 H 1.851 0.004 2 605 56 56 PRO HG2 H 1.807 0.002 1 606 56 56 PRO HD2 H 3.499 0.006 2 607 56 56 PRO HD3 H 3.344 0.008 2 608 56 56 PRO CA C 64.320 0.143 1 609 56 56 PRO CB C 31.688 0.082 1 610 56 56 PRO CG C 26.948 0.114 1 611 56 56 PRO CD C 50.217 0.082 1 612 57 57 PRO HA H 4.311 0.007 1 613 57 57 PRO HB2 H 2.211 0.006 2 614 57 57 PRO HB3 H 1.883 0.008 2 615 57 57 PRO HG2 H 1.984 0.013 2 616 57 57 PRO HG3 H 1.786 0.009 2 617 57 57 PRO HD2 H 3.442 0.013 2 618 57 57 PRO HD3 H 3.048 0.005 2 619 57 57 PRO C C 175.432 0.000 1 620 57 57 PRO CA C 62.508 0.107 1 621 57 57 PRO CB C 31.686 0.166 1 622 57 57 PRO CG C 27.254 0.055 1 623 57 57 PRO CD C 50.305 0.097 1 624 58 58 ALA H H 8.141 0.003 1 625 58 58 ALA HA H 4.270 0.017 1 626 58 58 ALA HB H 1.296 0.003 1 627 58 58 ALA C C 177.089 0.000 1 628 58 58 ALA CA C 51.772 0.041 1 629 58 58 ALA CB C 20.050 0.071 1 630 58 58 ALA N N 124.070 0.032 1 631 59 59 GLU H H 8.400 0.004 1 632 59 59 GLU HA H 4.223 0.008 1 633 59 59 GLU HB2 H 1.953 0.013 2 634 59 59 GLU HB3 H 1.790 0.025 2 635 59 59 GLU HG2 H 2.214 0.011 2 636 59 59 GLU HG3 H 2.184 0.005 2 637 59 59 GLU C C 175.819 0.000 1 638 59 59 GLU CA C 56.187 0.026 1 639 59 59 GLU CB C 30.151 0.054 1 640 59 59 GLU CG C 35.772 0.062 1 641 59 59 GLU N N 120.573 0.047 1 642 60 60 ILE H H 8.214 0.003 1 643 60 60 ILE HA H 4.133 0.012 1 644 60 60 ILE HB H 1.833 0.009 1 645 60 60 ILE HG12 H 1.154 0.010 2 646 60 60 ILE HG13 H 1.435 0.008 2 647 60 60 ILE HG2 H 0.876 0.009 1 648 60 60 ILE HD1 H 0.818 0.011 1 649 60 60 ILE C C 176.328 0.000 1 650 60 60 ILE CA C 61.268 0.123 1 651 60 60 ILE CB C 38.713 0.120 1 652 60 60 ILE CG1 C 27.246 0.086 1 653 60 60 ILE CG2 C 17.493 0.147 1 654 60 60 ILE CD1 C 13.008 0.134 1 655 60 60 ILE N N 122.126 0.042 1 656 61 61 GLY H H 8.481 0.005 1 657 61 61 GLY HA3 H 3.918 0.004 1 658 61 61 GLY C C 173.600 0.000 1 659 61 61 GLY CA C 45.302 0.010 1 660 61 61 GLY N N 112.669 0.035 1 661 62 62 GLN H H 8.216 0.004 1 662 62 62 GLN HA H 4.296 0.006 1 663 62 62 GLN HB2 H 1.927 0.005 2 664 62 62 GLN HB3 H 2.063 0.002 2 665 62 62 GLN HG3 H 2.295 0.003 1 666 62 62 GLN HE21 H 6.828 0.000 1 667 62 62 GLN HE22 H 7.506 0.000 1 668 62 62 GLN C C 175.285 0.000 1 669 62 62 GLN CA C 55.805 0.073 1 670 62 62 GLN CB C 29.695 0.039 1 671 62 62 GLN CG C 33.739 0.033 1 672 62 62 GLN N N 119.561 0.030 1 673 62 62 GLN NE2 N 111.907 0.042 1 674 63 63 ASN H H 8.548 0.004 1 675 63 63 ASN HA H 4.677 0.003 1 676 63 63 ASN HB2 H 2.709 0.003 2 677 63 63 ASN HB3 H 2.806 0.003 2 678 63 63 ASN HD21 H 6.894 0.001 1 679 63 63 ASN HD22 H 7.578 0.002 1 680 63 63 ASN C C 174.692 0.000 1 681 63 63 ASN CA C 53.290 0.002 1 682 63 63 ASN CB C 38.742 0.050 1 683 63 63 ASN N N 119.920 0.028 1 684 63 63 ASN ND2 N 112.567 0.189 1 685 64 64 ILE H H 8.104 0.004 1 686 64 64 ILE HA H 4.178 0.008 1 687 64 64 ILE HB H 1.861 0.005 1 688 64 64 ILE HG12 H 1.135 0.006 2 689 64 64 ILE HG13 H 1.399 0.010 2 690 64 64 ILE HG2 H 0.863 0.007 1 691 64 64 ILE HD1 H 0.791 0.014 1 692 64 64 ILE C C 175.992 0.000 1 693 64 64 ILE CA C 61.157 0.090 1 694 64 64 ILE CB C 38.636 0.095 1 695 64 64 ILE CG1 C 27.110 0.099 1 696 64 64 ILE CG2 C 17.587 0.092 1 697 64 64 ILE CD1 C 12.879 0.099 1 698 64 64 ILE N N 121.003 0.019 1 699 65 65 SER H H 8.407 0.008 1 700 65 65 SER HA H 4.462 0.000 1 701 65 65 SER HB3 H 3.848 0.014 1 702 65 65 SER CA C 58.306 0.000 1 703 65 65 SER CB C 63.769 0.036 1 704 65 65 SER N N 119.633 0.018 1 705 66 66 SER HA H 4.437 0.004 1 706 66 66 SER C C 174.019 0.000 1 707 66 66 SER CA C 58.549 0.037 1 708 66 66 SER CB C 63.714 0.018 1 709 67 67 ASN H H 8.397 0.009 1 710 67 67 ASN HA H 4.747 0.004 1 711 67 67 ASN HB2 H 2.757 0.001 2 712 67 67 ASN HB3 H 2.826 0.006 2 713 67 67 ASN HD21 H 6.891 0.015 1 714 67 67 ASN HD22 H 7.581 0.001 1 715 67 67 ASN C C 175.030 0.000 1 716 67 67 ASN CA C 53.304 0.002 1 717 67 67 ASN CB C 38.876 0.063 1 718 67 67 ASN N N 120.597 0.039 1 719 67 67 ASN ND2 N 112.204 0.000 1 720 68 68 SER H H 8.274 0.004 1 721 68 68 SER HA H 4.456 0.004 1 722 68 68 SER HB3 H 3.869 0.007 1 723 68 68 SER C C 174.389 0.000 1 724 68 68 SER CA C 58.504 0.100 1 725 68 68 SER CB C 63.730 0.051 1 726 68 68 SER N N 116.317 0.023 1 727 69 69 SER H H 8.355 0.005 1 728 69 69 SER HA H 4.389 0.002 1 729 69 69 SER HB3 H 3.881 0.013 1 730 69 69 SER C C 174.477 0.000 1 731 69 69 SER CA C 59.088 0.073 1 732 69 69 SER CB C 63.607 0.013 1 733 69 69 SER N N 117.839 0.056 1 734 70 70 ALA H H 8.273 0.003 1 735 70 70 ALA HA H 4.267 0.022 1 736 70 70 ALA HB H 1.374 0.002 1 737 70 70 ALA C C 178.252 0.000 1 738 70 70 ALA CA C 53.414 0.103 1 739 70 70 ALA CB C 19.005 0.046 1 740 70 70 ALA N N 125.213 0.009 1 741 71 71 SER H H 8.274 0.005 1 742 71 71 SER HA H 4.384 0.000 1 743 71 71 SER HB2 H 3.907 0.005 2 744 71 71 SER HB3 H 3.972 0.003 2 745 71 71 SER C C 175.735 0.000 1 746 71 71 SER CA C 59.238 0.057 1 747 71 71 SER CB C 63.565 0.027 1 748 71 71 SER N N 114.990 0.022 1 749 72 72 ILE H H 8.143 0.006 1 750 72 72 ILE HA H 4.021 0.006 1 751 72 72 ILE HB H 1.901 0.004 1 752 72 72 ILE HG12 H 1.507 0.009 2 753 72 72 ILE HG13 H 1.220 0.004 2 754 72 72 ILE HG2 H 0.903 0.005 1 755 72 72 ILE HD1 H 0.856 0.011 1 756 72 72 ILE C C 177.156 0.000 1 757 72 72 ILE CA C 62.888 0.049 1 758 72 72 ILE CB C 38.091 0.085 1 759 72 72 ILE CG1 C 28.126 0.087 1 760 72 72 ILE CG2 C 17.549 0.089 1 761 72 72 ILE CD1 C 12.956 0.132 1 762 72 72 ILE N N 123.463 0.050 1 763 73 73 LEU H H 8.035 0.008 1 764 73 73 LEU HA H 4.186 0.003 1 765 73 73 LEU HB2 H 1.598 0.005 2 766 73 73 LEU HB3 H 1.716 0.007 2 767 73 73 LEU HG H 1.658 0.012 1 768 73 73 LEU HD1 H 0.861 0.005 2 769 73 73 LEU HD2 H 0.885 0.005 2 770 73 73 LEU C C 178.823 0.000 1 771 73 73 LEU CA C 57.130 0.049 1 772 73 73 LEU CB C 41.758 0.106 1 773 73 73 LEU CG C 27.080 0.032 1 774 73 73 LEU CD1 C 23.603 0.030 2 775 73 73 LEU CD2 C 24.969 0.011 2 776 73 73 LEU N N 122.878 0.055 1 777 74 74 GLU H H 8.219 0.006 1 778 74 74 GLU HA H 4.190 0.004 1 779 74 74 GLU HB2 H 2.077 0.005 1 780 74 74 GLU HG2 H 2.252 0.013 2 781 74 74 GLU HG3 H 2.357 0.002 2 782 74 74 GLU C C 178.154 0.000 1 783 74 74 GLU CA C 58.355 0.070 1 784 74 74 GLU CB C 29.612 0.067 1 785 74 74 GLU N N 120.624 0.078 1 786 75 75 SER H H 8.345 0.007 1 787 75 75 SER HA H 4.120 0.005 1 788 75 75 SER HB2 H 3.806 0.005 2 789 75 75 SER HB3 H 3.991 0.004 2 790 75 75 SER C C 175.224 0.000 1 791 75 75 SER CA C 61.808 0.037 1 792 75 75 SER CB C 62.671 0.040 1 793 75 75 SER N N 116.160 0.027 1 794 76 76 LYS H H 8.201 0.007 1 795 76 76 LYS HA H 4.131 0.011 1 796 76 76 LYS HB2 H 1.921 0.000 2 797 76 76 LYS HB3 H 2.023 0.002 2 798 76 76 LYS HG3 H 1.556 0.000 1 799 76 76 LYS HE3 H 2.971 0.000 1 800 76 76 LYS C C 177.515 0.000 1 801 76 76 LYS CA C 59.063 0.186 1 802 76 76 LYS CB C 32.500 0.000 1 803 76 76 LYS N N 123.130 0.039 1 804 77 77 SER H H 8.152 0.004 1 805 77 77 SER HA H 4.400 0.006 1 806 77 77 SER HB3 H 4.024 0.010 1 807 77 77 SER C C 176.787 0.000 1 808 77 77 SER CA C 61.337 0.076 1 809 77 77 SER CB C 62.750 0.049 1 810 77 77 SER N N 114.930 0.010 1 811 78 78 LEU H H 8.148 0.003 1 812 78 78 LEU HA H 4.307 0.006 1 813 78 78 LEU HB2 H 1.794 0.011 2 814 78 78 LEU HB3 H 1.986 0.006 2 815 78 78 LEU HG H 1.846 0.005 1 816 78 78 LEU HD2 H 0.915 0.007 1 817 78 78 LEU C C 178.205 0.000 1 818 78 78 LEU CA C 57.973 0.081 1 819 78 78 LEU CB C 42.672 0.053 1 820 78 78 LEU CG C 27.610 0.112 1 821 78 78 LEU CD2 C 24.584 0.129 1 822 78 78 LEU N N 122.607 0.036 1 823 79 79 TYR H H 8.661 0.005 1 824 79 79 TYR HA H 3.773 0.009 1 825 79 79 TYR HB2 H 3.373 0.003 2 826 79 79 TYR HB3 H 3.501 0.004 2 827 79 79 TYR HD1 H 7.250 0.007 3 828 79 79 TYR HD2 H 7.250 0.007 3 829 79 79 TYR HE1 H 6.675 0.001 3 830 79 79 TYR HE2 H 6.675 0.001 3 831 79 79 TYR C C 176.644 0.000 1 832 79 79 TYR CA C 62.790 0.149 1 833 79 79 TYR CB C 38.653 0.022 1 834 79 79 TYR N N 120.939 0.058 1 835 80 80 ASP H H 8.416 0.007 1 836 80 80 ASP HA H 4.413 0.004 1 837 80 80 ASP HB2 H 2.954 0.005 2 838 80 80 ASP HB3 H 2.723 0.006 2 839 80 80 ASP C C 179.194 0.000 1 840 80 80 ASP CA C 57.082 0.029 1 841 80 80 ASP CB C 39.804 0.106 1 842 80 80 ASP N N 118.413 0.041 1 843 81 81 GLU H H 8.160 0.008 1 844 81 81 GLU HA H 4.098 0.004 1 845 81 81 GLU HB2 H 2.145 0.007 2 846 81 81 GLU HB3 H 2.334 0.014 2 847 81 81 GLU HG2 H 2.644 0.003 2 848 81 81 GLU HG3 H 2.352 0.035 2 849 81 81 GLU C C 179.090 0.000 1 850 81 81 GLU CA C 59.223 0.027 1 851 81 81 GLU CB C 29.170 0.076 1 852 81 81 GLU CG C 35.153 0.095 1 853 81 81 GLU N N 121.703 0.061 1 854 82 82 VAL H H 8.224 0.010 1 855 82 82 VAL HA H 3.115 0.008 1 856 82 82 VAL HB H 1.422 0.007 1 857 82 82 VAL HG1 H 0.586 0.007 2 858 82 82 VAL HG2 H -0.490 0.005 2 859 82 82 VAL C C 177.824 0.000 1 860 82 82 VAL CA C 66.669 0.060 1 861 82 82 VAL CB C 31.460 0.141 1 862 82 82 VAL CG1 C 22.339 0.237 2 863 82 82 VAL CG2 C 21.295 0.172 2 864 82 82 VAL N N 122.014 0.043 1 865 83 83 ALA H H 8.054 0.009 1 866 83 83 ALA HA H 3.806 0.015 1 867 83 83 ALA HB H 1.376 0.006 1 868 83 83 ALA C C 181.038 0.000 1 869 83 83 ALA CA C 55.175 0.037 1 870 83 83 ALA CB C 17.981 0.100 1 871 83 83 ALA N N 122.170 0.044 1 872 84 84 ALA H H 8.269 0.014 1 873 84 84 ALA HA H 4.112 0.003 1 874 84 84 ALA HB H 1.482 0.003 1 875 84 84 ALA C C 180.481 0.000 1 876 84 84 ALA CA C 54.942 0.062 1 877 84 84 ALA CB C 17.936 0.217 1 878 84 84 ALA N N 120.904 0.064 1 879 85 85 GLN H H 8.016 0.008 1 880 85 85 GLN HA H 4.193 0.011 1 881 85 85 GLN HB2 H 1.847 0.014 2 882 85 85 GLN HB3 H 2.108 0.013 2 883 85 85 GLN HG3 H 2.300 0.005 1 884 85 85 GLN HE22 H 7.480 0.001 1 885 85 85 GLN C C 178.128 0.000 1 886 85 85 GLN CA C 57.109 0.053 1 887 85 85 GLN CB C 26.210 0.080 1 888 85 85 GLN CG C 32.188 0.000 1 889 85 85 GLN N N 120.618 0.039 1 890 85 85 GLN NE2 N 109.715 0.046 1 891 86 86 GLY H H 8.728 0.010 1 892 86 86 GLY HA2 H 3.656 0.008 2 893 86 86 GLY HA3 H 3.966 0.011 2 894 86 86 GLY C C 176.387 0.000 1 895 86 86 GLY CA C 47.228 0.069 1 896 86 86 GLY N N 109.514 0.035 1 897 87 87 GLU H H 7.540 0.007 1 898 87 87 GLU HA H 4.343 0.006 1 899 87 87 GLU HB2 H 2.140 0.012 2 900 87 87 GLU HB3 H 2.086 0.011 2 901 87 87 GLU HG2 H 2.304 0.000 2 902 87 87 GLU HG3 H 2.335 0.008 2 903 87 87 GLU C C 177.733 0.000 1 904 87 87 GLU CA C 58.161 0.035 1 905 87 87 GLU CB C 28.588 0.234 1 906 87 87 GLU CG C 35.339 0.019 1 907 87 87 GLU N N 122.683 0.023 1 908 88 88 VAL H H 7.578 0.003 1 909 88 88 VAL HA H 3.557 0.005 1 910 88 88 VAL HB H 2.313 0.003 1 911 88 88 VAL HG1 H 1.024 0.006 2 912 88 88 VAL HG2 H 0.893 0.006 2 913 88 88 VAL C C 178.045 0.000 1 914 88 88 VAL CA C 67.025 0.027 1 915 88 88 VAL CB C 31.426 0.088 1 916 88 88 VAL CG1 C 22.657 0.078 2 917 88 88 VAL CG2 C 21.052 0.045 2 918 88 88 VAL N N 122.330 0.030 1 919 89 89 VAL H H 7.895 0.011 1 920 89 89 VAL HA H 3.281 0.003 1 921 89 89 VAL HB H 2.177 0.008 1 922 89 89 VAL HG1 H 0.868 0.009 2 923 89 89 VAL HG2 H 1.033 0.016 2 924 89 89 VAL C C 176.475 0.000 1 925 89 89 VAL CA C 67.638 0.032 1 926 89 89 VAL CB C 31.964 0.170 1 927 89 89 VAL CG1 C 21.753 0.085 2 928 89 89 VAL CG2 C 24.148 0.077 2 929 89 89 VAL N N 117.851 0.034 1 930 90 90 ARG H H 7.819 0.007 1 931 90 90 ARG HA H 3.801 0.003 1 932 90 90 ARG HB2 H 1.904 0.015 1 933 90 90 ARG HG2 H 1.503 0.003 2 934 90 90 ARG HG3 H 1.698 0.010 2 935 90 90 ARG HD2 H 3.271 0.006 2 936 90 90 ARG HD3 H 3.082 0.006 2 937 90 90 ARG HE H 8.054 0.007 1 938 90 90 ARG HH11 H 6.853 0.006 1 939 90 90 ARG HH21 H 6.853 0.006 1 940 90 90 ARG C C 179.311 0.000 1 941 90 90 ARG CA C 60.066 0.096 1 942 90 90 ARG CB C 30.123 0.021 1 943 90 90 ARG CG C 27.083 0.099 1 944 90 90 ARG CD C 42.811 0.033 1 945 90 90 ARG N N 118.292 0.027 1 946 90 90 ARG NE N 83.003 0.000 1 947 91 91 LYS H H 8.351 0.004 1 948 91 91 LYS HA H 3.925 0.005 1 949 91 91 LYS HB3 H 1.877 0.007 1 950 91 91 LYS HG2 H 1.283 0.005 2 951 91 91 LYS HG3 H 1.514 0.002 2 952 91 91 LYS HD3 H 1.626 0.002 1 953 91 91 LYS HE3 H 2.923 0.000 1 954 91 91 LYS C C 178.268 0.000 1 955 91 91 LYS CA C 59.996 0.004 1 956 91 91 LYS CB C 32.546 0.056 1 957 91 91 LYS CG C 25.332 0.170 1 958 91 91 LYS N N 120.800 0.030 1 959 92 92 LEU H H 8.353 0.009 1 960 92 92 LEU HA H 4.028 0.007 1 961 92 92 LEU HB2 H 1.168 0.008 2 962 92 92 LEU HB3 H 1.892 0.009 2 963 92 92 LEU HG H 1.911 0.014 1 964 92 92 LEU HD1 H 0.796 0.005 2 965 92 92 LEU HD2 H 0.674 0.006 2 966 92 92 LEU C C 180.546 0.000 1 967 92 92 LEU CA C 57.785 0.028 1 968 92 92 LEU CB C 42.902 0.096 1 969 92 92 LEU CG C 26.675 0.061 1 970 92 92 LEU CD1 C 22.536 0.072 2 971 92 92 LEU CD2 C 27.613 0.080 2 972 92 92 LEU N N 118.693 0.023 1 973 93 93 LYS H H 8.147 0.008 1 974 93 93 LYS HA H 4.013 0.004 1 975 93 93 LYS HB3 H 1.836 0.010 1 976 93 93 LYS HG2 H 1.681 0.008 2 977 93 93 LYS HG3 H 1.365 0.005 2 978 93 93 LYS HD3 H 1.591 0.006 1 979 93 93 LYS HE2 H 2.696 0.002 2 980 93 93 LYS HE3 H 2.834 0.008 2 981 93 93 LYS C C 179.871 0.000 1 982 93 93 LYS CA C 59.929 0.062 1 983 93 93 LYS CB C 32.701 0.063 1 984 93 93 LYS CG C 26.729 0.028 1 985 93 93 LYS CD C 30.217 0.031 1 986 93 93 LYS CE C 41.780 0.040 1 987 93 93 LYS N N 117.512 0.034 1 988 94 94 ALA H H 8.224 0.013 1 989 94 94 ALA HA H 4.122 0.007 1 990 94 94 ALA HB H 1.517 0.007 1 991 94 94 ALA C C 179.060 0.000 1 992 94 94 ALA CA C 54.856 0.041 1 993 94 94 ALA CB C 18.202 0.082 1 994 94 94 ALA N N 123.940 0.026 1 995 95 95 GLU H H 7.842 0.010 1 996 95 95 GLU HA H 4.254 0.017 1 997 95 95 GLU HB2 H 1.931 0.012 2 998 95 95 GLU HB3 H 2.135 0.002 2 999 95 95 GLU HG2 H 2.439 0.007 2 1000 95 95 GLU HG3 H 2.378 0.015 2 1001 95 95 GLU C C 175.013 0.000 1 1002 95 95 GLU CA C 55.650 0.029 1 1003 95 95 GLU CB C 29.264 0.179 1 1004 95 95 GLU CG C 35.819 0.097 1 1005 95 95 GLU N N 115.145 0.022 1 1006 96 96 LYS H H 7.919 0.003 1 1007 96 96 LYS HA H 3.897 0.007 1 1008 96 96 LYS HB2 H 1.819 0.004 2 1009 96 96 LYS HB3 H 2.009 0.002 2 1010 96 96 LYS HG3 H 1.331 0.003 1 1011 96 96 LYS HD3 H 1.699 0.000 1 1012 96 96 LYS HE3 H 2.976 0.000 1 1013 96 96 LYS C C 175.865 0.000 1 1014 96 96 LYS CA C 57.027 0.086 1 1015 96 96 LYS CB C 28.673 0.039 1 1016 96 96 LYS CG C 24.820 0.065 1 1017 96 96 LYS N N 116.988 0.036 1 1018 97 97 SER H H 7.591 0.004 1 1019 97 97 SER HA H 4.543 0.006 1 1020 97 97 SER HB2 H 3.752 0.014 2 1021 97 97 SER HB3 H 3.543 0.006 2 1022 97 97 SER CA C 58.714 0.000 1 1023 97 97 SER CB C 62.586 0.023 1 1024 97 97 SER N N 114.493 0.009 1 1025 98 98 PRO HA H 4.390 0.011 1 1026 98 98 PRO HB2 H 1.823 0.007 2 1027 98 98 PRO HB3 H 2.465 0.008 2 1028 98 98 PRO HG2 H 2.098 0.012 1 1029 98 98 PRO HD2 H 3.973 0.002 2 1030 98 98 PRO HD3 H 3.506 0.006 2 1031 98 98 PRO C C 177.439 0.000 1 1032 98 98 PRO CA C 63.276 0.025 1 1033 98 98 PRO CB C 32.289 0.175 1 1034 98 98 PRO CG C 28.206 0.104 1 1035 98 98 PRO CD C 50.723 0.049 1 1036 99 99 LYS H H 8.649 0.005 1 1037 99 99 LYS HA H 3.801 0.007 1 1038 99 99 LYS HB2 H 1.787 0.006 2 1039 99 99 LYS HB3 H 1.853 0.003 2 1040 99 99 LYS HG2 H 1.493 0.007 2 1041 99 99 LYS HG3 H 1.432 0.005 2 1042 99 99 LYS HD3 H 1.663 0.000 1 1043 99 99 LYS C C 177.674 0.000 1 1044 99 99 LYS CA C 59.752 0.060 1 1045 99 99 LYS CB C 32.256 0.053 1 1046 99 99 LYS CG C 24.722 0.075 1 1047 99 99 LYS N N 124.787 0.034 1 1048 100 100 ALA H H 8.890 0.003 1 1049 100 100 ALA HA H 4.098 0.005 1 1050 100 100 ALA HB H 1.395 0.008 1 1051 100 100 ALA C C 180.183 0.000 1 1052 100 100 ALA CA C 55.312 0.025 1 1053 100 100 ALA CB C 18.473 0.050 1 1054 100 100 ALA N N 119.001 0.033 1 1055 101 101 LYS H H 7.149 0.002 1 1056 101 101 LYS HA H 4.138 0.003 1 1057 101 101 LYS HB2 H 1.840 0.006 2 1058 101 101 LYS HB3 H 1.953 0.002 2 1059 101 101 LYS HG2 H 1.522 0.015 2 1060 101 101 LYS HG3 H 1.447 0.004 2 1061 101 101 LYS C C 179.378 0.000 1 1062 101 101 LYS CA C 57.703 0.025 1 1063 101 101 LYS CB C 32.167 0.032 1 1064 101 101 LYS CG C 24.723 0.065 1 1065 101 101 LYS N N 116.191 0.025 1 1066 102 102 ILE H H 7.623 0.007 1 1067 102 102 ILE HA H 3.499 0.007 1 1068 102 102 ILE HB H 1.824 0.009 1 1069 102 102 ILE HG12 H 0.684 0.004 2 1070 102 102 ILE HG13 H 1.493 0.006 2 1071 102 102 ILE HG2 H 0.856 0.004 1 1072 102 102 ILE HD1 H 0.794 0.008 1 1073 102 102 ILE C C 176.946 0.000 1 1074 102 102 ILE CA C 65.985 0.021 1 1075 102 102 ILE CB C 38.291 0.174 1 1076 102 102 ILE CG1 C 30.143 0.084 1 1077 102 102 ILE CG2 C 17.686 0.099 1 1078 102 102 ILE CD1 C 14.443 0.086 1 1079 102 102 ILE N N 120.913 0.026 1 1080 103 103 ASN H H 8.787 0.005 1 1081 103 103 ASN HA H 4.328 0.013 1 1082 103 103 ASN HB3 H 2.807 0.003 1 1083 103 103 ASN HD21 H 6.759 0.003 1 1084 103 103 ASN HD22 H 7.622 0.013 1 1085 103 103 ASN C C 177.712 0.000 1 1086 103 103 ASN CA C 56.275 0.047 1 1087 103 103 ASN CB C 37.539 0.062 1 1088 103 103 ASN N N 117.686 0.021 1 1089 103 103 ASN ND2 N 110.778 0.244 1 1090 104 104 GLU H H 7.691 0.005 1 1091 104 104 GLU HA H 4.041 0.005 1 1092 104 104 GLU HB2 H 2.107 0.006 2 1093 104 104 GLU HB3 H 2.077 0.009 2 1094 104 104 GLU HG2 H 2.213 0.018 2 1095 104 104 GLU HG3 H 2.428 0.002 2 1096 104 104 GLU C C 178.142 0.000 1 1097 104 104 GLU CA C 59.308 0.030 1 1098 104 104 GLU CB C 29.662 0.063 1 1099 104 104 GLU CG C 36.031 0.032 1 1100 104 104 GLU N N 119.587 0.021 1 1101 105 105 ALA H H 7.612 0.005 1 1102 105 105 ALA HA H 4.073 0.007 1 1103 105 105 ALA HB H 1.429 0.003 1 1104 105 105 ALA C C 180.383 0.000 1 1105 105 105 ALA CA C 54.630 0.044 1 1106 105 105 ALA CB C 19.209 0.041 1 1107 105 105 ALA N N 122.937 0.020 1 1108 106 106 VAL H H 8.895 0.010 1 1109 106 106 VAL HA H 3.538 0.006 1 1110 106 106 VAL HB H 2.210 0.004 1 1111 106 106 VAL HG1 H 1.069 0.009 2 1112 106 106 VAL HG2 H 0.926 0.010 2 1113 106 106 VAL C C 177.226 0.000 1 1114 106 106 VAL CA C 66.724 0.057 1 1115 106 106 VAL CB C 32.087 0.071 1 1116 106 106 VAL CG1 C 24.130 0.051 2 1117 106 106 VAL CG2 C 21.147 0.049 2 1118 106 106 VAL N N 122.687 0.013 1 1119 107 107 GLU H H 8.369 0.003 1 1120 107 107 GLU HA H 3.944 0.009 1 1121 107 107 GLU HB2 H 2.096 0.011 1 1122 107 107 GLU HG2 H 2.413 0.003 2 1123 107 107 GLU HG3 H 2.307 0.004 2 1124 107 107 GLU C C 179.034 0.000 1 1125 107 107 GLU CA C 59.879 0.000 1 1126 107 107 GLU CB C 28.573 0.104 1 1127 107 107 GLU CG C 35.700 0.063 1 1128 107 107 GLU N N 120.555 0.029 1 1129 108 108 CYS H H 7.740 0.005 1 1130 108 108 CYS HA H 4.169 0.005 1 1131 108 108 CYS HB2 H 2.822 0.002 2 1132 108 108 CYS HB3 H 3.164 0.002 2 1133 108 108 CYS C C 176.091 0.000 1 1134 108 108 CYS CA C 61.785 0.038 1 1135 108 108 CYS CB C 26.534 0.033 1 1136 108 108 CYS N N 118.901 0.034 1 1137 109 109 LEU H H 7.971 0.013 1 1138 109 109 LEU HA H 3.863 0.005 1 1139 109 109 LEU HB2 H 2.453 0.004 2 1140 109 109 LEU HB3 H 1.339 0.008 2 1141 109 109 LEU HG H 1.368 0.011 1 1142 109 109 LEU HD1 H 0.943 0.007 2 1143 109 109 LEU HD2 H 0.736 0.005 2 1144 109 109 LEU C C 177.351 0.000 1 1145 109 109 LEU CA C 58.722 0.048 1 1146 109 109 LEU CB C 42.127 0.049 1 1147 109 109 LEU CG C 27.139 0.089 1 1148 109 109 LEU CD1 C 26.538 0.073 2 1149 109 109 LEU CD2 C 24.046 0.072 2 1150 109 109 LEU N N 120.817 0.033 1 1151 110 110 LEU H H 8.820 0.007 1 1152 110 110 LEU HA H 3.922 0.013 1 1153 110 110 LEU HB2 H 1.512 0.008 2 1154 110 110 LEU HB3 H 1.891 0.013 2 1155 110 110 LEU HG H 1.862 0.001 1 1156 110 110 LEU HD1 H 0.836 0.001 2 1157 110 110 LEU HD2 H 0.850 0.004 2 1158 110 110 LEU C C 180.257 0.000 1 1159 110 110 LEU CA C 58.427 0.013 1 1160 110 110 LEU CB C 41.071 0.051 1 1161 110 110 LEU CG C 27.161 0.141 1 1162 110 110 LEU CD1 C 22.615 0.046 2 1163 110 110 LEU CD2 C 25.326 0.019 2 1164 110 110 LEU N N 118.491 0.020 1 1165 111 111 SER H H 8.063 0.008 1 1166 111 111 SER HA H 4.320 0.002 1 1167 111 111 SER HB3 H 4.043 0.012 1 1168 111 111 SER C C 177.318 0.000 1 1169 111 111 SER CA C 61.468 0.014 1 1170 111 111 SER CB C 62.666 0.029 1 1171 111 111 SER N N 116.672 0.055 1 1172 112 112 LEU H H 8.390 0.005 1 1173 112 112 LEU HA H 4.085 0.012 1 1174 112 112 LEU HB2 H 1.286 0.015 2 1175 112 112 LEU HB3 H 1.926 0.019 2 1176 112 112 LEU HG H 1.841 0.004 1 1177 112 112 LEU HD1 H 0.753 0.012 2 1178 112 112 LEU HD2 H 0.706 0.012 2 1179 112 112 LEU C C 179.225 0.000 1 1180 112 112 LEU CA C 58.104 0.073 1 1181 112 112 LEU CB C 42.774 0.130 1 1182 112 112 LEU CG C 26.784 0.120 1 1183 112 112 LEU CD1 C 22.283 0.130 2 1184 112 112 LEU CD2 C 26.767 0.084 2 1185 112 112 LEU N N 123.212 0.046 1 1186 113 113 LYS H H 8.671 0.012 1 1187 113 113 LYS HA H 3.733 0.004 1 1188 113 113 LYS HB2 H 1.908 0.009 2 1189 113 113 LYS HB3 H 2.015 0.002 2 1190 113 113 LYS HG2 H 1.630 0.005 2 1191 113 113 LYS HG3 H 0.915 0.009 2 1192 113 113 LYS HD3 H 1.635 0.011 1 1193 113 113 LYS HE2 H 2.686 0.015 2 1194 113 113 LYS HE3 H 2.761 0.027 2 1195 113 113 LYS C C 179.283 0.000 1 1196 113 113 LYS CA C 61.319 0.104 1 1197 113 113 LYS CB C 32.402 0.144 1 1198 113 113 LYS CG C 28.223 0.034 1 1199 113 113 LYS CD C 30.069 0.016 1 1200 113 113 LYS CE C 41.834 0.046 1 1201 113 113 LYS N N 119.233 0.030 1 1202 114 114 ALA H H 8.085 0.003 1 1203 114 114 ALA HA H 4.284 0.014 1 1204 114 114 ALA HB H 1.584 0.005 1 1205 114 114 ALA C C 180.378 0.000 1 1206 114 114 ALA CA C 55.275 0.032 1 1207 114 114 ALA CB C 17.693 0.036 1 1208 114 114 ALA N N 124.096 0.016 1 1209 115 115 GLN H H 8.324 0.004 1 1210 115 115 GLN HA H 4.084 0.008 1 1211 115 115 GLN HB2 H 2.270 0.004 2 1212 115 115 GLN HB3 H 2.159 0.006 2 1213 115 115 GLN HG2 H 2.323 0.005 2 1214 115 115 GLN HG3 H 2.579 0.004 2 1215 115 115 GLN HE21 H 6.831 0.004 1 1216 115 115 GLN HE22 H 7.193 0.003 1 1217 115 115 GLN C C 177.797 0.000 1 1218 115 115 GLN CA C 58.978 0.006 1 1219 115 115 GLN CB C 29.184 0.070 1 1220 115 115 GLN CG C 34.661 0.082 1 1221 115 115 GLN N N 120.440 0.060 1 1222 115 115 GLN NE2 N 110.724 0.247 1 1223 116 116 TYR H H 8.722 0.005 1 1224 116 116 TYR HA H 3.944 0.006 1 1225 116 116 TYR HB2 H 2.956 0.004 2 1226 116 116 TYR HB3 H 3.305 0.006 2 1227 116 116 TYR HD1 H 7.159 0.005 3 1228 116 116 TYR HD2 H 7.159 0.005 3 1229 116 116 TYR HE1 H 6.852 0.003 3 1230 116 116 TYR HE2 H 6.852 0.003 3 1231 116 116 TYR C C 177.682 0.000 1 1232 116 116 TYR CA C 63.034 0.041 1 1233 116 116 TYR CB C 38.761 0.030 1 1234 116 116 TYR N N 121.219 0.035 1 1235 117 117 LYS H H 8.056 0.006 1 1236 117 117 LYS HA H 4.448 0.016 1 1237 117 117 LYS HB3 H 1.991 0.003 1 1238 117 117 LYS HG2 H 1.045 0.002 2 1239 117 117 LYS HG3 H 1.352 0.003 2 1240 117 117 LYS HD2 H 1.525 0.015 2 1241 117 117 LYS HD3 H 1.472 0.006 2 1242 117 117 LYS HE3 H 2.876 0.013 1 1243 117 117 LYS C C 179.371 0.000 1 1244 117 117 LYS CA C 58.269 0.106 1 1245 117 117 LYS CB C 32.275 0.142 1 1246 117 117 LYS CG C 24.710 0.046 1 1247 117 117 LYS CD C 29.809 0.000 1 1248 117 117 LYS CE C 42.222 0.103 1 1249 117 117 LYS N N 122.865 0.038 1 1250 118 118 GLU H H 8.158 0.008 1 1251 118 118 GLU HA H 3.929 0.011 1 1252 118 118 GLU HB2 H 2.115 0.003 1 1253 118 118 GLU HG2 H 2.246 0.010 2 1254 118 118 GLU HG3 H 2.347 0.000 2 1255 118 118 GLU C C 178.020 0.000 1 1256 118 118 GLU CA C 59.188 0.041 1 1257 118 118 GLU CB C 29.265 0.122 1 1258 118 118 GLU CG C 35.728 0.038 1 1259 118 118 GLU N N 120.471 0.056 1 1260 119 119 LYS H H 8.134 0.005 1 1261 119 119 LYS HA H 4.138 0.006 1 1262 119 119 LYS HB2 H 1.773 0.008 2 1263 119 119 LYS HB3 H 1.739 0.011 2 1264 119 119 LYS HG3 H 1.448 0.010 1 1265 119 119 LYS HD3 H 1.628 0.013 1 1266 119 119 LYS HE3 H 2.926 0.002 1 1267 119 119 LYS C C 177.951 0.000 1 1268 119 119 LYS CA C 58.016 0.034 1 1269 119 119 LYS CB C 32.950 0.117 1 1270 119 119 LYS CG C 25.154 0.162 1 1271 119 119 LYS CD C 28.641 0.149 1 1272 119 119 LYS CE C 41.760 0.000 1 1273 119 119 LYS N N 115.866 0.017 1 1274 120 120 THR H H 8.070 0.008 1 1275 120 120 THR HA H 4.341 0.008 1 1276 120 120 THR HB H 4.036 0.006 1 1277 120 120 THR HG1 H 2.665 0.004 1 1278 120 120 THR HG2 H 0.766 0.002 1 1279 120 120 THR C C 176.007 0.000 1 1280 120 120 THR CA C 62.510 0.005 1 1281 120 120 THR CB C 71.173 0.060 1 1282 120 120 THR CG2 C 19.672 0.089 1 1283 120 120 THR N N 106.039 0.019 1 1284 121 121 GLY H H 8.174 0.012 1 1285 121 121 GLY HA2 H 4.222 0.003 2 1286 121 121 GLY HA3 H 3.791 0.002 2 1287 121 121 GLY C C 172.991 0.000 1 1288 121 121 GLY CA C 45.622 0.035 1 1289 121 121 GLY N N 111.893 0.053 1 1290 122 122 LYS H H 8.274 0.005 1 1291 122 122 LYS HA H 4.603 0.001 1 1292 122 122 LYS HB2 H 1.744 0.004 2 1293 122 122 LYS HB3 H 1.868 0.004 2 1294 122 122 LYS HG3 H 1.348 0.020 1 1295 122 122 LYS HD3 H 1.653 0.003 1 1296 122 122 LYS HE3 H 2.979 0.022 1 1297 122 122 LYS C C 173.547 0.000 1 1298 122 122 LYS CA C 54.563 0.081 1 1299 122 122 LYS CB C 35.435 0.121 1 1300 122 122 LYS CG C 24.412 0.046 1 1301 122 122 LYS CD C 28.926 0.020 1 1302 122 122 LYS CE C 42.113 0.145 1 1303 122 122 LYS N N 121.160 0.090 1 1304 123 123 GLU H H 8.041 0.007 1 1305 123 123 GLU HA H 4.392 0.004 1 1306 123 123 GLU HB2 H 1.955 0.008 2 1307 123 123 GLU HB3 H 1.870 0.003 2 1308 123 123 GLU HG2 H 2.314 0.009 2 1309 123 123 GLU HG3 H 2.357 0.012 2 1310 123 123 GLU C C 177.177 0.000 1 1311 123 123 GLU CA C 55.648 0.114 1 1312 123 123 GLU CB C 30.482 0.127 1 1313 123 123 GLU CG C 36.006 0.095 1 1314 123 123 GLU N N 117.078 0.014 1 1315 124 124 TYR H H 9.117 0.004 1 1316 124 124 TYR HA H 3.901 0.002 1 1317 124 124 TYR HB2 H 2.340 0.004 2 1318 124 124 TYR HB3 H 2.625 0.009 2 1319 124 124 TYR HD1 H 6.218 0.016 3 1320 124 124 TYR HD2 H 6.218 0.016 3 1321 124 124 TYR HE1 H 6.035 0.008 3 1322 124 124 TYR HE2 H 6.035 0.008 3 1323 124 124 TYR C C 173.685 0.000 1 1324 124 124 TYR CA C 59.822 0.021 1 1325 124 124 TYR CB C 38.157 0.027 1 1326 124 124 TYR N N 124.991 0.016 1 1327 125 125 ILE H H 7.838 0.003 1 1328 125 125 ILE HA H 4.237 0.004 1 1329 125 125 ILE HB H 1.622 0.003 1 1330 125 125 ILE HG12 H 1.448 0.005 2 1331 125 125 ILE HG13 H 1.013 0.004 2 1332 125 125 ILE HG2 H 0.744 0.006 1 1333 125 125 ILE HD1 H 0.767 0.005 1 1334 125 125 ILE CA C 56.991 0.181 1 1335 125 125 ILE CB C 40.545 0.131 1 1336 125 125 ILE CG1 C 26.565 0.118 1 1337 125 125 ILE CG2 C 16.501 0.130 1 1338 125 125 ILE CD1 C 12.409 0.154 1 1339 125 125 ILE N N 131.495 0.034 1 1340 126 126 PRO HA H 3.969 0.005 1 1341 126 126 PRO HB2 H 2.259 0.004 2 1342 126 126 PRO HB3 H 1.897 0.001 2 1343 126 126 PRO HG2 H 2.022 0.012 1 1344 126 126 PRO HD2 H 3.467 0.009 2 1345 126 126 PRO HD3 H 3.621 0.009 2 1346 126 126 PRO C C 176.943 0.000 1 1347 126 126 PRO CA C 63.070 0.027 1 1348 126 126 PRO CB C 31.847 0.025 1 1349 126 126 PRO CG C 27.185 0.082 1 1350 126 126 PRO CD C 51.034 0.106 1 1351 127 127 GLY H H 8.446 0.003 1 1352 127 127 GLY HA2 H 3.718 0.003 2 1353 127 127 GLY HA3 H 4.078 0.014 2 1354 127 127 GLY C C 173.395 0.000 1 1355 127 127 GLY CA C 45.539 0.029 1 1356 127 127 GLY N N 110.761 0.012 1 1357 128 128 GLN H H 7.779 0.005 1 1358 128 128 GLN HB2 H 1.959 0.011 2 1359 128 128 GLN HB3 H 1.703 0.010 2 1360 128 128 GLN HG3 H 2.143 0.003 1 1361 128 128 GLN HE21 H 6.744 0.005 1 1362 128 128 GLN HE22 H 7.451 0.003 1 1363 128 128 GLN CA C 52.714 0.000 1 1364 128 128 GLN CB C 29.045 0.077 1 1365 128 128 GLN CG C 33.537 0.042 1 1366 128 128 GLN N N 119.798 0.030 1 1367 128 128 GLN NE2 N 111.717 0.214 1 stop_ save_