data_19598 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for human EPRS WHEP domains ; _BMRB_accession_number 19598 _BMRB_flat_file_name bmr19598.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 'Human EPRS WHEP domains R123 sequence' 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" 1072 "13C chemical shifts" 768 "15N chemical shifts" 211 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-11 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 19599 'hman EPRS R12 repeats' stop_ _Original_release_date 2014-02-11 save_ ############################# # Citation for this entry # ############################# save_entry_1 _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 'WHEP repeats' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'human EPRS WHEP domains' $human_EPRS_WHEP_domains 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_WHEP_domains _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common human_EPRS_WHEP_domains _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 208 _Mol_residue_sequence ; DSLVLYNRVAVQGDVVRELK AKKAPKEDVDAAVKQLLSLK AEYKEKTGQEYKPGNPPAEI GQNISSNSSASILESKSLYD EVAAQGEVVRKLKAEKSPKA KINEAVECLLSLKAQYKEKT GKEYIPGQPPLSQSSDSSPT RNSEPAGLETPEAKVLFDKV ASQGEVVRKLKTEKAPKDQV DIAVQELLQLKAQYKSLIGV EYKPVSAT ; 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 129 129 PRO 130 130 PRO 131 131 LEU 132 132 SER 133 133 GLN 134 134 SER 135 135 SER 136 136 ASP 137 137 SER 138 138 SER 139 139 PRO 140 140 THR 141 141 ARG 142 142 ASN 143 143 SER 144 144 GLU 145 145 PRO 146 146 ALA 147 147 GLY 148 148 LEU 149 149 GLU 150 150 THR 151 151 PRO 152 152 GLU 153 153 ALA 154 154 LYS 155 155 VAL 156 156 LEU 157 157 PHE 158 158 ASP 159 159 LYS 160 160 VAL 161 161 ALA 162 162 SER 163 163 GLN 164 164 GLY 165 165 GLU 166 166 VAL 167 167 VAL 168 168 ARG 169 169 LYS 170 170 LEU 171 171 LYS 172 172 THR 173 173 GLU 174 174 LYS 175 175 ALA 176 176 PRO 177 177 LYS 178 178 ASP 179 179 GLN 180 180 VAL 181 181 ASP 182 182 ILE 183 183 ALA 184 184 VAL 185 185 GLN 186 186 GLU 187 187 LEU 188 188 LEU 189 189 GLN 190 190 LEU 191 191 LYS 192 192 ALA 193 193 GLN 194 194 TYR 195 195 LYS 196 196 SER 197 197 LEU 198 198 ILE 199 199 GLY 200 200 VAL 201 201 GLU 202 202 TYR 203 203 LYS 204 204 PRO 205 205 VAL 206 206 SER 207 207 ALA 208 208 THR 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_WHEP_domains 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_WHEP_domains '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 $human_EPRS_WHEP_domains 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_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N 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 6.8 . 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 HNCACB' '3D CBCA(CO)NH' '3D HNCO' '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 WHEP domains' _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 8.220 0.003 1 2 1 1 ASP HA H 4.451 0.005 1 3 1 1 ASP HB2 H 2.758 0.007 2 4 1 1 ASP HB3 H 2.705 0.006 2 5 1 1 ASP C C 178.777 0.000 1 6 1 1 ASP CA C 56.219 0.108 1 7 1 1 ASP CB C 40.533 0.077 1 8 1 1 ASP N N 120.399 0.056 1 9 2 2 SER H H 8.430 0.005 1 10 2 2 SER HA H 4.131 0.009 1 11 2 2 SER HB2 H 3.967 0.004 2 12 2 2 SER HB3 H 3.790 0.010 2 13 2 2 SER C C 175.371 0.000 1 14 2 2 SER CA C 61.843 0.036 1 15 2 2 SER CB C 62.804 0.178 1 16 2 2 SER N N 117.804 0.060 1 17 3 3 LEU H H 8.193 0.004 1 18 3 3 LEU HA H 4.245 0.006 1 19 3 3 LEU HB2 H 1.869 0.012 2 20 3 3 LEU HB3 H 1.532 0.005 2 21 3 3 LEU HG H 1.556 0.010 1 22 3 3 LEU HD1 H 0.897 0.000 1 23 3 3 LEU HD2 H 0.930 0.003 1 24 3 3 LEU C C 178.680 0.000 1 25 3 3 LEU CA C 57.951 0.000 1 26 3 3 LEU CB C 41.798 0.103 1 27 3 3 LEU CG C 26.979 0.000 1 28 3 3 LEU CD1 C 24.897 0.000 1 29 3 3 LEU CD2 C 24.096 0.025 1 30 3 3 LEU N N 125.054 0.027 1 31 4 4 VAL H H 8.095 0.002 1 32 4 4 VAL HA H 3.742 0.004 1 33 4 4 VAL HB H 2.174 0.005 1 34 4 4 VAL HG1 H 0.942 0.005 1 35 4 4 VAL HG2 H 1.100 0.007 1 36 4 4 VAL C C 179.625 0.000 1 37 4 4 VAL CA C 66.425 0.108 1 38 4 4 VAL CB C 32.022 0.106 1 39 4 4 VAL CG1 C 21.163 0.000 1 40 4 4 VAL CG2 C 23.027 0.080 1 41 4 4 VAL N N 120.018 0.039 1 42 5 5 LEU H H 7.769 0.008 1 43 5 5 LEU HA H 4.132 0.006 1 44 5 5 LEU HB3 H 1.908 0.005 1 45 5 5 LEU HG H 1.833 0.002 1 46 5 5 LEU HD1 H 0.938 0.005 1 47 5 5 LEU C C 177.989 0.000 1 48 5 5 LEU CA C 58.239 0.022 1 49 5 5 LEU CB C 42.183 0.042 1 50 5 5 LEU CG C 27.375 0.057 1 51 5 5 LEU CD1 C 25.286 0.123 1 52 5 5 LEU N N 120.322 0.035 1 53 6 6 TYR H H 8.862 0.002 1 54 6 6 TYR HA H 3.714 0.006 1 55 6 6 TYR HB2 H 3.408 0.002 2 56 6 6 TYR HB3 H 3.437 0.011 2 57 6 6 TYR HD1 H 7.078 0.005 3 58 6 6 TYR HD2 H 7.078 0.005 3 59 6 6 TYR HE1 H 6.624 0.004 3 60 6 6 TYR HE2 H 6.624 0.004 3 61 6 6 TYR C C 177.185 0.000 1 62 6 6 TYR CA C 62.773 0.064 1 63 6 6 TYR CB C 38.910 0.055 1 64 6 6 TYR N N 120.542 0.027 1 65 7 7 ASN H H 8.531 0.004 1 66 7 7 ASN HA H 4.503 0.008 1 67 7 7 ASN HB2 H 2.972 0.004 2 68 7 7 ASN HB3 H 2.848 0.004 2 69 7 7 ASN HD21 H 6.957 0.006 1 70 7 7 ASN HD22 H 7.646 0.006 1 71 7 7 ASN C C 177.647 0.000 1 72 7 7 ASN CA C 55.885 0.095 1 73 7 7 ASN CB C 38.064 0.098 1 74 7 7 ASN N N 116.550 0.042 1 75 7 7 ASN ND2 N 111.850 0.043 1 76 8 8 ARG H H 8.119 0.005 1 77 8 8 ARG HA H 3.989 0.011 1 78 8 8 ARG HB2 H 2.053 0.010 2 79 8 8 ARG HB3 H 1.927 0.009 2 80 8 8 ARG HG3 H 1.650 0.004 1 81 8 8 ARG HD2 H 3.071 0.003 2 82 8 8 ARG HD3 H 3.185 0.003 2 83 8 8 ARG C C 179.922 0.000 1 84 8 8 ARG CA C 59.822 0.063 1 85 8 8 ARG CB C 30.568 0.000 1 86 8 8 ARG CG C 28.019 0.012 1 87 8 8 ARG CD C 43.958 0.107 1 88 8 8 ARG N N 120.074 0.025 1 89 8 8 ARG NE N 84.504 0.000 1 90 9 9 VAL H H 7.938 0.003 1 91 9 9 VAL HA H 3.070 0.006 1 92 9 9 VAL HB H 1.459 0.005 1 93 9 9 VAL HG1 H -0.509 0.005 1 94 9 9 VAL HG2 H 0.570 0.008 1 95 9 9 VAL C C 177.773 0.000 1 96 9 9 VAL CA C 66.502 0.061 1 97 9 9 VAL CB C 31.386 0.092 1 98 9 9 VAL CG1 C 21.354 0.035 1 99 9 9 VAL CG2 C 21.985 0.038 1 100 9 9 VAL N N 120.741 0.076 1 101 10 10 ALA H H 7.723 0.002 1 102 10 10 ALA HA H 3.777 0.005 1 103 10 10 ALA HB H 1.418 0.002 1 104 10 10 ALA C C 181.279 0.000 1 105 10 10 ALA CA C 55.431 0.050 1 106 10 10 ALA CB C 18.137 0.032 1 107 10 10 ALA N N 122.799 0.032 1 108 11 11 VAL H H 8.315 0.005 1 109 11 11 VAL HA H 3.757 0.004 1 110 11 11 VAL HB H 2.030 0.011 1 111 11 11 VAL HG1 H 0.948 0.005 1 112 11 11 VAL HG2 H 1.078 0.004 1 113 11 11 VAL C C 178.844 0.000 1 114 11 11 VAL CA C 66.093 0.106 1 115 11 11 VAL CB C 32.075 0.077 1 116 11 11 VAL CG1 C 21.151 0.089 1 117 11 11 VAL CG2 C 23.113 0.060 1 118 11 11 VAL N N 118.758 0.051 1 119 12 12 GLN H H 7.732 0.007 1 120 12 12 GLN HA H 4.111 0.006 1 121 12 12 GLN HB2 H 1.857 0.007 2 122 12 12 GLN HB3 H 2.036 0.008 2 123 12 12 GLN HG3 H 2.319 0.006 1 124 12 12 GLN HE21 H 7.647 0.002 1 125 12 12 GLN HE22 H 7.184 0.007 1 126 12 12 GLN C C 178.416 0.000 1 127 12 12 GLN CA C 57.337 0.025 1 128 12 12 GLN CB C 26.119 0.042 1 129 12 12 GLN CG C 31.593 0.102 1 130 12 12 GLN N N 120.643 0.045 1 131 12 12 GLN NE2 N 110.617 0.075 1 132 13 13 GLY H H 8.684 0.005 1 133 13 13 GLY HA2 H 3.962 0.005 2 134 13 13 GLY HA3 H 3.652 0.010 2 135 13 13 GLY C C 176.742 0.000 1 136 13 13 GLY CA C 47.226 0.072 1 137 13 13 GLY N N 109.026 0.038 1 138 14 14 ASP H H 7.675 0.006 1 139 14 14 ASP HA H 4.515 0.003 1 140 14 14 ASP HB2 H 2.699 0.003 2 141 14 14 ASP HB3 H 2.966 0.005 2 142 14 14 ASP C C 178.268 0.000 1 143 14 14 ASP CA C 57.476 0.059 1 144 14 14 ASP CB C 40.166 0.129 1 145 14 14 ASP N N 124.210 0.013 1 146 15 15 VAL H H 7.973 0.006 1 147 15 15 VAL HA H 3.634 0.004 1 148 15 15 VAL HB H 2.313 0.003 1 149 15 15 VAL HG1 H 0.885 0.002 1 150 15 15 VAL HG2 H 1.009 0.010 1 151 15 15 VAL C C 178.722 0.000 1 152 15 15 VAL CA C 66.683 0.035 1 153 15 15 VAL CB C 31.471 0.063 1 154 15 15 VAL CG1 C 20.953 0.090 1 155 15 15 VAL CG2 C 22.661 0.020 1 156 15 15 VAL N N 123.482 0.027 1 157 16 16 VAL H H 7.947 0.007 1 158 16 16 VAL HA H 3.306 0.005 1 159 16 16 VAL HB H 2.186 0.010 1 160 16 16 VAL HG1 H 0.873 0.011 1 161 16 16 VAL HG2 H 1.024 0.005 1 162 16 16 VAL C C 177.080 0.000 1 163 16 16 VAL CA C 67.558 0.110 1 164 16 16 VAL CB C 31.972 0.056 1 165 16 16 VAL CG1 C 21.971 0.000 1 166 16 16 VAL CG2 C 24.323 0.126 1 167 16 16 VAL N N 118.555 0.019 1 168 17 17 ARG H H 7.784 0.004 1 169 17 17 ARG HA H 3.861 0.003 1 170 17 17 ARG HB2 H 2.003 0.002 2 171 17 17 ARG HB3 H 1.946 0.009 2 172 17 17 ARG HG2 H 1.750 0.011 2 173 17 17 ARG HG3 H 1.544 0.007 2 174 17 17 ARG HD2 H 3.198 0.006 2 175 17 17 ARG HD3 H 3.244 0.017 2 176 17 17 ARG C C 179.629 0.000 1 177 17 17 ARG CA C 59.923 0.129 1 178 17 17 ARG CB C 30.014 0.168 1 179 17 17 ARG CG C 27.600 0.159 1 180 17 17 ARG CD C 43.097 0.191 1 181 17 17 ARG N N 118.044 0.025 1 182 17 17 ARG NE N 84.248 0.000 1 183 18 18 GLU H H 8.406 0.005 1 184 18 18 GLU HA H 4.101 0.007 1 185 18 18 GLU HB2 H 2.088 0.005 2 186 18 18 GLU HB3 H 1.997 0.002 2 187 18 18 GLU HG3 H 2.242 0.001 1 188 18 18 GLU C C 178.887 0.000 1 189 18 18 GLU CA C 59.317 0.036 1 190 18 18 GLU CB C 29.430 0.150 1 191 18 18 GLU CG C 36.123 0.018 1 192 18 18 GLU N N 120.838 0.058 1 193 19 19 LEU H H 8.356 0.010 1 194 19 19 LEU HA H 3.925 0.012 1 195 19 19 LEU HB2 H 1.180 0.007 2 196 19 19 LEU HB3 H 1.899 0.010 2 197 19 19 LEU HG H 1.900 0.010 1 198 19 19 LEU HD1 H 0.742 0.001 1 199 19 19 LEU HD2 H 0.664 0.004 1 200 19 19 LEU CA C 57.851 0.129 1 201 19 19 LEU CB C 42.761 0.064 1 202 19 19 LEU CG C 26.596 0.059 1 203 19 19 LEU CD1 C 22.526 0.113 1 204 19 19 LEU CD2 C 27.567 0.101 1 205 19 19 LEU N N 120.018 0.105 1 206 20 20 LYS H H 8.114 0.004 1 207 20 20 LYS HA H 4.021 0.005 1 208 20 20 LYS HB3 H 1.828 0.005 1 209 20 20 LYS HG2 H 1.689 0.003 2 210 20 20 LYS HG3 H 1.301 0.000 2 211 20 20 LYS HD3 H 1.590 0.008 1 212 20 20 LYS HE2 H 2.857 0.000 2 213 20 20 LYS HE3 H 2.657 0.000 2 214 20 20 LYS C C 181.046 0.000 1 215 20 20 LYS CA C 60.025 0.067 1 216 20 20 LYS CB C 32.606 0.064 1 217 20 20 LYS CG C 26.780 0.000 1 218 20 20 LYS CD C 30.099 0.010 1 219 20 20 LYS CE C 41.800 0.000 1 220 20 20 LYS N N 116.797 0.037 1 221 21 21 ALA H H 8.319 0.003 1 222 21 21 ALA HA H 4.103 0.004 1 223 21 21 ALA HB H 1.504 0.002 1 224 21 21 ALA C C 179.563 0.000 1 225 21 21 ALA CA C 54.989 0.057 1 226 21 21 ALA CB C 18.163 0.060 1 227 21 21 ALA N N 123.722 0.016 1 228 22 22 LYS H H 7.854 0.004 1 229 22 22 LYS HA H 4.304 0.004 1 230 22 22 LYS HB3 H 1.889 0.004 1 231 22 22 LYS HG2 H 1.624 0.007 2 232 22 22 LYS HG3 H 1.500 0.006 2 233 22 22 LYS HD3 H 1.626 0.006 1 234 22 22 LYS HE3 H 2.918 0.002 1 235 22 22 LYS C C 175.627 0.000 1 236 22 22 LYS CA C 55.564 0.031 1 237 22 22 LYS CB C 32.075 0.009 1 238 22 22 LYS CG C 24.813 0.091 1 239 22 22 LYS CD C 29.377 0.000 1 240 22 22 LYS CE C 42.069 0.014 1 241 22 22 LYS N N 115.094 0.019 1 242 23 23 LYS H H 7.859 0.003 1 243 23 23 LYS HA H 3.872 0.005 1 244 23 23 LYS HB2 H 1.798 0.002 2 245 23 23 LYS HB3 H 2.019 0.004 2 246 23 23 LYS HG3 H 1.323 0.002 1 247 23 23 LYS HE3 H 2.979 0.001 1 248 23 23 LYS C C 175.817 0.000 1 249 23 23 LYS CA C 56.853 0.018 1 250 23 23 LYS CB C 28.496 0.075 1 251 23 23 LYS CG C 24.935 0.085 1 252 23 23 LYS N N 117.730 0.018 1 253 24 24 ALA H H 7.763 0.004 1 254 24 24 ALA HA H 4.389 0.001 1 255 24 24 ALA HB H 1.317 0.013 1 256 24 24 ALA CA C 51.247 0.069 1 257 24 24 ALA CB C 18.461 0.057 1 258 24 24 ALA N N 120.723 0.027 1 259 25 25 PRO HA H 4.321 0.003 1 260 25 25 PRO HB2 H 1.814 0.007 2 261 25 25 PRO HB3 H 2.431 0.005 2 262 25 25 PRO HG2 H 2.025 0.001 2 263 25 25 PRO HG3 H 2.090 0.010 2 264 25 25 PRO HD2 H 3.844 0.018 2 265 25 25 PRO HD3 H 3.676 0.006 2 266 25 25 PRO C C 177.493 0.000 1 267 25 25 PRO CA C 63.169 0.000 1 268 25 25 PRO CB C 32.653 0.064 1 269 25 25 PRO CG C 28.429 0.069 1 270 25 25 PRO CD C 50.241 0.057 1 271 26 26 LYS H H 8.771 0.002 1 272 26 26 LYS HA H 3.829 0.003 1 273 26 26 LYS HB2 H 1.696 0.005 2 274 26 26 LYS HB3 H 1.909 0.001 2 275 26 26 LYS HG3 H 1.396 0.004 1 276 26 26 LYS HD3 H 1.597 0.001 1 277 26 26 LYS HE3 H 2.997 0.000 1 278 26 26 LYS C C 177.652 0.000 1 279 26 26 LYS CA C 59.818 0.097 1 280 26 26 LYS CB C 32.729 0.006 1 281 26 26 LYS CG C 24.590 0.067 1 282 26 26 LYS N N 125.422 0.049 1 283 27 27 GLU H H 9.410 0.003 1 284 27 27 GLU HA H 4.085 0.004 1 285 27 27 GLU HB2 H 1.970 0.003 1 286 27 27 GLU HG2 H 2.302 0.005 2 287 27 27 GLU HG3 H 2.409 0.003 2 288 27 27 GLU C C 179.353 0.000 1 289 27 27 GLU CA C 59.946 0.068 1 290 27 27 GLU CB C 28.552 0.049 1 291 27 27 GLU CG C 36.319 0.127 1 292 27 27 GLU N N 115.996 0.010 1 293 28 28 ASP H H 7.428 0.005 1 294 28 28 ASP HA H 4.442 0.004 1 295 28 28 ASP HB2 H 2.534 0.002 2 296 28 28 ASP HB3 H 2.803 0.005 2 297 28 28 ASP C C 179.465 0.000 1 298 28 28 ASP CA C 56.852 0.107 1 299 28 28 ASP CB C 40.058 0.132 1 300 28 28 ASP N N 120.689 0.033 1 301 29 29 VAL H H 7.804 0.007 1 302 29 29 VAL HA H 3.384 0.003 1 303 29 29 VAL HB H 2.125 0.008 1 304 29 29 VAL HG1 H 0.895 0.004 1 305 29 29 VAL HG2 H 0.828 0.008 1 306 29 29 VAL C C 177.512 0.000 1 307 29 29 VAL CA C 67.427 0.049 1 308 29 29 VAL CB C 31.975 0.148 1 309 29 29 VAL CG1 C 22.160 0.035 1 310 29 29 VAL CG2 C 22.827 0.084 1 311 29 29 VAL N N 123.033 0.024 1 312 30 30 ASP H H 9.169 0.002 1 313 30 30 ASP HA H 4.275 0.010 1 314 30 30 ASP HB2 H 2.664 0.004 2 315 30 30 ASP HB3 H 2.538 0.001 2 316 30 30 ASP C C 179.617 0.000 1 317 30 30 ASP CA C 57.444 0.080 1 318 30 30 ASP CB C 39.777 0.101 1 319 30 30 ASP N N 119.169 0.028 1 320 31 31 ALA H H 7.603 0.003 1 321 31 31 ALA HA H 4.140 0.013 1 322 31 31 ALA HB H 1.497 0.002 1 323 31 31 ALA C C 180.218 0.000 1 324 31 31 ALA CA C 55.083 0.087 1 325 31 31 ALA CB C 18.227 0.131 1 326 31 31 ALA N N 121.595 0.019 1 327 32 32 ALA H H 7.658 0.009 1 328 32 32 ALA HA H 4.084 0.005 1 329 32 32 ALA HB H 1.422 0.004 1 330 32 32 ALA CA C 54.577 0.037 1 331 32 32 ALA CB C 19.225 0.068 1 332 32 32 ALA N N 122.802 0.018 1 333 33 33 VAL H H 8.993 0.006 1 334 33 33 VAL HA H 3.531 0.004 1 335 33 33 VAL HB H 2.187 0.005 1 336 33 33 VAL HG1 H 0.923 0.007 1 337 33 33 VAL HG2 H 1.081 0.005 1 338 33 33 VAL C C 177.634 0.000 1 339 33 33 VAL CA C 66.731 0.041 1 340 33 33 VAL CB C 32.086 0.088 1 341 33 33 VAL CG1 C 21.080 0.060 1 342 33 33 VAL CG2 C 24.143 0.072 1 343 33 33 VAL N N 123.120 0.019 1 344 34 34 LYS H H 8.234 0.007 1 345 34 34 LYS HA H 3.933 0.006 1 346 34 34 LYS HB3 H 1.907 0.005 1 347 34 34 LYS HG2 H 1.383 0.008 2 348 34 34 LYS HG3 H 1.517 0.006 2 349 34 34 LYS HD3 H 1.631 0.000 1 350 34 34 LYS HE3 H 2.922 0.000 1 351 34 34 LYS C C 179.790 0.000 1 352 34 34 LYS CA C 60.160 0.103 1 353 34 34 LYS CB C 32.267 0.034 1 354 34 34 LYS CG C 25.339 0.017 1 355 34 34 LYS N N 121.012 0.032 1 356 35 35 GLN H H 7.613 0.003 1 357 35 35 GLN HA H 4.297 0.008 1 358 35 35 GLN HB2 H 2.158 0.009 2 359 35 35 GLN HB3 H 1.969 0.014 2 360 35 35 GLN HG2 H 2.184 0.004 2 361 35 35 GLN HG3 H 2.354 0.012 2 362 35 35 GLN HE21 H 7.188 0.002 1 363 35 35 GLN HE22 H 6.960 0.002 1 364 35 35 GLN C C 178.047 0.000 1 365 35 35 GLN CA C 58.150 0.094 1 366 35 35 GLN CB C 28.002 0.098 1 367 35 35 GLN CG C 32.547 0.271 1 368 35 35 GLN N N 118.518 0.021 1 369 35 35 GLN NE2 N 110.458 0.041 1 370 36 36 LEU H H 8.058 0.002 1 371 36 36 LEU HA H 3.863 0.005 1 372 36 36 LEU HB2 H 1.335 0.009 2 373 36 36 LEU HB3 H 2.458 0.004 2 374 36 36 LEU HD1 H 0.722 0.005 1 375 36 36 LEU HD2 H 0.944 0.005 1 376 36 36 LEU C C 177.791 0.000 1 377 36 36 LEU CA C 58.546 0.090 1 378 36 36 LEU CB C 41.995 0.083 1 379 36 36 LEU CD1 C 24.148 0.077 1 380 36 36 LEU CD2 C 26.592 0.106 1 381 36 36 LEU N N 121.847 0.039 1 382 37 37 LEU H H 8.725 0.010 1 383 37 37 LEU HA H 3.919 0.007 1 384 37 37 LEU HB2 H 1.909 0.003 2 385 37 37 LEU HB3 H 1.513 0.002 2 386 37 37 LEU HG H 1.858 0.003 1 387 37 37 LEU HD1 H 0.842 0.009 1 388 37 37 LEU HD2 H 0.860 0.001 1 389 37 37 LEU C C 180.695 0.000 1 390 37 37 LEU CA C 58.236 0.095 1 391 37 37 LEU CB C 41.045 0.076 1 392 37 37 LEU CG C 26.987 0.066 1 393 37 37 LEU CD1 C 22.698 0.083 1 394 37 37 LEU CD2 C 25.321 0.097 1 395 37 37 LEU N N 118.627 0.043 1 396 38 38 SER H H 8.099 0.005 1 397 38 38 SER HA H 4.274 0.002 1 398 38 38 SER HB3 H 3.986 0.006 1 399 38 38 SER C C 177.797 0.000 1 400 38 38 SER CA C 61.782 0.066 1 401 38 38 SER CB C 62.394 0.000 1 402 38 38 SER N N 116.693 0.033 1 403 39 39 LEU H H 8.290 0.004 1 404 39 39 LEU HA H 4.165 0.003 1 405 39 39 LEU HB2 H 1.280 0.007 2 406 39 39 LEU HB3 H 1.907 0.012 2 407 39 39 LEU HG H 1.807 0.008 1 408 39 39 LEU HD1 H 0.772 0.024 1 409 39 39 LEU HD2 H 0.696 0.003 1 410 39 39 LEU C C 179.491 0.000 1 411 39 39 LEU CA C 57.940 0.080 1 412 39 39 LEU CB C 42.831 0.118 1 413 39 39 LEU CG C 26.536 0.091 1 414 39 39 LEU CD1 C 22.628 0.065 1 415 39 39 LEU CD2 C 26.626 0.030 1 416 39 39 LEU N N 123.794 0.042 1 417 40 40 LYS H H 8.582 0.005 1 418 40 40 LYS HA H 3.736 0.006 1 419 40 40 LYS HB2 H 1.894 0.003 2 420 40 40 LYS HB3 H 2.017 0.006 2 421 40 40 LYS HG2 H 1.593 0.006 2 422 40 40 LYS HG3 H 0.856 0.005 2 423 40 40 LYS HD3 H 1.585 0.002 1 424 40 40 LYS HE2 H 2.718 0.002 2 425 40 40 LYS HE3 H 2.641 0.015 2 426 40 40 LYS C C 179.751 0.000 1 427 40 40 LYS CA C 61.334 0.069 1 428 40 40 LYS CB C 32.712 0.033 1 429 40 40 LYS CG C 28.171 0.059 1 430 40 40 LYS CD C 30.093 0.033 1 431 40 40 LYS CE C 41.938 0.061 1 432 40 40 LYS N N 119.437 0.033 1 433 41 41 ALA H H 8.156 0.003 1 434 41 41 ALA HA H 4.283 0.004 1 435 41 41 ALA HB H 1.557 0.007 1 436 41 41 ALA C C 180.406 0.000 1 437 41 41 ALA CA C 55.252 0.001 1 438 41 41 ALA CB C 17.631 0.046 1 439 41 41 ALA N N 124.234 0.051 1 440 42 42 GLU H H 8.286 0.003 1 441 42 42 GLU HA H 4.081 0.002 1 442 42 42 GLU HB2 H 2.168 0.005 1 443 42 42 GLU HG3 H 2.423 0.003 1 444 42 42 GLU C C 178.402 0.000 1 445 42 42 GLU CA C 59.424 0.104 1 446 42 42 GLU CB C 29.538 0.159 1 447 42 42 GLU CG C 36.200 0.000 1 448 42 42 GLU N N 122.261 0.010 1 449 43 43 TYR H H 8.669 0.005 1 450 43 43 TYR HA H 3.948 0.020 1 451 43 43 TYR HB2 H 3.294 0.005 2 452 43 43 TYR HB3 H 2.948 0.013 2 453 43 43 TYR HD1 H 7.165 0.003 3 454 43 43 TYR HD2 H 7.165 0.003 3 455 43 43 TYR HE1 H 6.862 0.006 3 456 43 43 TYR HE2 H 6.862 0.006 3 457 43 43 TYR C C 178.234 0.000 1 458 43 43 TYR CA C 63.118 0.032 1 459 43 43 TYR CB C 38.716 0.067 1 460 43 43 TYR N N 120.496 0.015 1 461 44 44 LYS H H 8.100 0.004 1 462 44 44 LYS HA H 4.423 0.005 1 463 44 44 LYS HB3 H 1.988 0.004 1 464 44 44 LYS HG2 H 1.025 0.001 2 465 44 44 LYS HG3 H 1.359 0.006 2 466 44 44 LYS HD2 H 1.541 0.002 2 467 44 44 LYS HD3 H 1.453 0.004 2 468 44 44 LYS HE3 H 2.861 0.006 1 469 44 44 LYS C C 179.765 0.000 1 470 44 44 LYS CA C 58.352 0.013 1 471 44 44 LYS CB C 32.218 0.059 1 472 44 44 LYS CG C 24.751 0.082 1 473 44 44 LYS CD C 29.323 0.114 1 474 44 44 LYS CE C 42.198 0.000 1 475 44 44 LYS N N 122.914 0.052 1 476 45 45 GLU H H 8.250 0.009 1 477 45 45 GLU HA H 3.928 0.004 1 478 45 45 GLU HB2 H 2.114 0.004 1 479 45 45 GLU HG2 H 2.200 0.002 2 480 45 45 GLU HG3 H 2.292 0.003 2 481 45 45 GLU C C 178.711 0.000 1 482 45 45 GLU CA C 59.389 0.093 1 483 45 45 GLU CB C 29.605 0.034 1 484 45 45 GLU CG C 36.072 0.027 1 485 45 45 GLU N N 120.955 0.034 1 486 46 46 LYS H H 8.268 0.003 1 487 46 46 LYS HA H 4.116 0.006 1 488 46 46 LYS HB3 H 1.758 0.002 1 489 46 46 LYS HG2 H 1.539 0.005 2 490 46 46 LYS HG3 H 1.405 0.002 2 491 46 46 LYS HD3 H 1.631 0.002 1 492 46 46 LYS HE3 H 2.904 0.000 1 493 46 46 LYS C C 178.568 0.000 1 494 46 46 LYS CA C 58.330 0.100 1 495 46 46 LYS CB C 33.292 0.139 1 496 46 46 LYS CG C 25.607 0.000 1 497 46 46 LYS CD C 28.898 0.099 1 498 46 46 LYS CE C 42.109 0.000 1 499 46 46 LYS N N 115.911 0.031 1 500 47 47 THR H H 8.059 0.003 1 501 47 47 THR HA H 4.370 0.005 1 502 47 47 THR HB H 4.069 0.009 1 503 47 47 THR HG1 H 2.709 0.002 1 504 47 47 THR HG2 H 0.769 0.007 1 505 47 47 THR C C 176.463 0.000 1 506 47 47 THR CA C 62.537 0.026 1 507 47 47 THR CB C 71.301 0.058 1 508 47 47 THR CG2 C 19.564 0.062 1 509 47 47 THR N N 106.133 0.012 1 510 48 48 GLY H H 8.155 0.003 1 511 48 48 GLY HA2 H 3.791 0.004 2 512 48 48 GLY HA3 H 4.234 0.003 2 513 48 48 GLY C C 173.386 0.000 1 514 48 48 GLY CA C 45.568 0.046 1 515 48 48 GLY N N 112.116 0.012 1 516 49 49 GLN H H 8.288 0.005 1 517 49 49 GLN HA H 4.600 0.001 1 518 49 49 GLN HB2 H 2.099 0.006 2 519 49 49 GLN HB3 H 1.929 0.004 2 520 49 49 GLN HG3 H 2.261 0.003 1 521 49 49 GLN HE21 H 7.559 0.003 1 522 49 49 GLN HE22 H 6.943 0.004 1 523 49 49 GLN C C 173.490 0.000 1 524 49 49 GLN CA C 53.561 0.043 1 525 49 49 GLN CB C 31.933 0.132 1 526 49 49 GLN CG C 33.437 0.057 1 527 49 49 GLN N N 119.735 0.046 1 528 49 49 GLN NE2 N 112.979 0.012 1 529 50 50 GLU H H 8.358 0.003 1 530 50 50 GLU HA H 4.393 0.003 1 531 50 50 GLU HB2 H 1.892 0.004 2 532 50 50 GLU HB3 H 1.958 0.006 2 533 50 50 GLU HG2 H 2.284 0.000 2 534 50 50 GLU HG3 H 2.343 0.000 2 535 50 50 GLU C C 177.789 0.000 1 536 50 50 GLU CA C 55.655 0.066 1 537 50 50 GLU CB C 30.386 0.095 1 538 50 50 GLU N N 118.142 0.018 1 539 51 51 TYR H H 9.482 0.002 1 540 51 51 TYR HA H 3.877 0.004 1 541 51 51 TYR HB2 H 2.456 0.004 2 542 51 51 TYR HB3 H 2.648 0.005 2 543 51 51 TYR HD1 H 6.235 0.009 3 544 51 51 TYR HD2 H 6.235 0.009 3 545 51 51 TYR HE1 H 5.952 0.000 3 546 51 51 TYR C C 174.400 0.000 1 547 51 51 TYR CA C 60.258 0.108 1 548 51 51 TYR CB C 38.462 0.014 1 549 51 51 TYR N N 126.135 0.033 1 550 52 52 LYS H H 7.853 0.003 1 551 52 52 LYS HA H 4.482 0.004 1 552 52 52 LYS HB2 H 1.572 0.006 2 553 52 52 LYS HB3 H 1.676 0.005 2 554 52 52 LYS HG2 H 1.342 0.000 2 555 52 52 LYS HG3 H 1.279 0.010 2 556 52 52 LYS HD3 H 1.601 0.000 1 557 52 52 LYS CA C 52.464 0.065 1 558 52 52 LYS CB C 34.601 0.072 1 559 52 52 LYS CG C 24.244 0.137 1 560 52 52 LYS N N 130.665 0.035 1 561 53 53 PRO HA H 4.048 0.004 1 562 53 53 PRO HB2 H 2.279 0.002 2 563 53 53 PRO HB3 H 1.893 0.003 2 564 53 53 PRO HG2 H 2.022 0.004 1 565 53 53 PRO HD2 H 3.506 0.004 2 566 53 53 PRO HD3 H 3.607 0.003 2 567 53 53 PRO C C 177.437 0.000 1 568 53 53 PRO CA C 62.795 0.047 1 569 53 53 PRO CB C 32.032 0.038 1 570 53 53 PRO CG C 27.246 0.149 1 571 53 53 PRO CD C 50.949 0.084 1 572 54 54 GLY H H 8.685 0.002 1 573 54 54 GLY HA2 H 3.779 0.002 2 574 54 54 GLY HA3 H 3.986 0.007 2 575 54 54 GLY C C 173.550 0.000 1 576 54 54 GLY CA C 45.833 0.129 1 577 54 54 GLY N N 111.092 0.011 1 578 55 55 ASN H H 7.904 0.003 1 579 55 55 ASN HA H 5.073 0.000 1 580 55 55 ASN HB2 H 2.626 0.002 2 581 55 55 ASN HB3 H 2.321 0.005 2 582 55 55 ASN HD21 H 7.119 0.001 1 583 55 55 ASN HD22 H 6.930 0.002 1 584 55 55 ASN CA C 50.914 0.000 1 585 55 55 ASN CB C 40.022 0.075 1 586 55 55 ASN N N 118.319 0.038 1 587 55 55 ASN ND2 N 112.723 0.038 1 588 56 56 PRO HA H 4.277 0.000 1 589 56 56 PRO HB3 H 2.151 0.000 1 590 56 56 PRO HG2 H 1.795 0.003 1 591 56 56 PRO HD2 H 3.504 0.002 2 592 56 56 PRO HD3 H 3.329 0.010 2 593 56 56 PRO CA C 65.206 0.000 1 594 56 56 PRO CG C 27.027 0.100 1 595 56 56 PRO CD C 50.118 0.125 1 596 57 57 PRO HA H 4.294 0.000 1 597 57 57 PRO HB2 H 2.246 0.002 2 598 57 57 PRO HB3 H 1.903 0.009 2 599 57 57 PRO HG2 H 1.988 0.000 2 600 57 57 PRO HG3 H 1.787 0.003 2 601 57 57 PRO HD2 H 3.036 0.011 2 602 57 57 PRO HD3 H 3.435 0.000 2 603 57 57 PRO C C 175.783 0.000 1 604 57 57 PRO CB C 31.630 0.000 1 605 57 57 PRO CG C 27.077 0.121 1 606 57 57 PRO CD C 50.351 0.058 1 607 58 58 ALA H H 8.275 0.002 1 608 58 58 ALA HA H 4.289 0.005 1 609 58 58 ALA HB H 1.276 0.007 1 610 58 58 ALA C C 177.334 0.000 1 611 58 58 ALA CA C 51.547 0.078 1 612 58 58 ALA CB C 20.280 0.035 1 613 58 58 ALA N N 124.380 0.016 1 614 59 59 GLU H H 8.468 0.006 1 615 59 59 GLU HA H 4.075 0.004 1 616 59 59 GLU HB2 H 1.648 0.002 2 617 59 59 GLU HB3 H 1.850 0.003 2 618 59 59 GLU HG3 H 2.051 0.006 1 619 59 59 GLU C C 176.431 0.000 1 620 59 59 GLU CA C 56.305 0.084 1 621 59 59 GLU CB C 30.184 0.061 1 622 59 59 GLU N N 121.213 0.071 1 623 60 60 ILE H H 8.342 0.004 1 624 60 60 ILE HA H 4.106 0.007 1 625 60 60 ILE HB H 1.819 0.003 1 626 60 60 ILE HG12 H 1.147 0.004 2 627 60 60 ILE HG13 H 1.432 0.003 2 628 60 60 ILE HG2 H 0.869 0.004 1 629 60 60 ILE HD1 H 0.818 0.004 1 630 60 60 ILE C C 176.788 0.000 1 631 60 60 ILE CA C 61.220 0.054 1 632 60 60 ILE CB C 38.715 0.041 1 633 60 60 ILE CG1 C 27.263 0.123 1 634 60 60 ILE CG2 C 17.483 0.055 1 635 60 60 ILE CD1 C 12.956 0.098 1 636 60 60 ILE N N 122.911 0.074 1 637 61 61 GLY H H 8.581 0.003 1 638 61 61 GLY HA3 H 3.902 0.001 1 639 61 61 GLY C C 174.000 0.000 1 640 61 61 GLY CA C 45.260 0.058 1 641 61 61 GLY N N 113.087 0.022 1 642 62 62 GLN H H 8.312 0.002 1 643 62 62 GLN HA H 4.280 0.002 1 644 62 62 GLN HB2 H 1.914 0.006 2 645 62 62 GLN HB3 H 2.049 0.008 2 646 62 62 GLN HG3 H 2.295 0.009 1 647 62 62 GLN HE21 H 7.596 0.001 1 648 62 62 GLN HE22 H 6.905 0.004 1 649 62 62 GLN C C 175.695 0.000 1 650 62 62 GLN CA C 55.610 0.153 1 651 62 62 GLN CB C 29.692 0.120 1 652 62 62 GLN CG C 33.741 0.060 1 653 62 62 GLN N N 119.729 0.040 1 654 62 62 GLN NE2 N 112.878 0.040 1 655 63 63 ASN H H 8.643 0.003 1 656 63 63 ASN HA H 4.670 0.003 1 657 63 63 ASN HB2 H 2.797 0.003 2 658 63 63 ASN HB3 H 2.700 0.005 2 659 63 63 ASN HD21 H 6.963 0.003 1 660 63 63 ASN HD22 H 7.666 0.002 1 661 63 63 ASN C C 175.133 0.000 1 662 63 63 ASN CA C 53.321 0.087 1 663 63 63 ASN CB C 38.917 0.176 1 664 63 63 ASN N N 120.189 0.028 1 665 63 63 ASN ND2 N 113.361 0.055 1 666 64 64 ILE H H 8.215 0.005 1 667 64 64 ILE HA H 4.177 0.002 1 668 64 64 ILE HB H 1.858 0.005 1 669 64 64 ILE HG12 H 1.388 0.003 2 670 64 64 ILE HG13 H 1.127 0.004 2 671 64 64 ILE HG2 H 0.862 0.003 1 672 64 64 ILE HD1 H 0.808 0.003 1 673 64 64 ILE C C 176.452 0.000 1 674 64 64 ILE CA C 61.266 0.041 1 675 64 64 ILE CB C 38.675 0.046 1 676 64 64 ILE CG1 C 27.049 0.091 1 677 64 64 ILE CG2 C 17.502 0.027 1 678 64 64 ILE CD1 C 12.862 0.061 1 679 64 64 ILE N N 121.369 0.051 1 680 65 65 SER H H 8.519 0.002 1 681 65 65 SER HA H 4.453 0.001 1 682 65 65 SER HB3 H 3.830 0.005 1 683 65 65 SER C C 174.768 0.000 1 684 65 65 SER CA C 58.400 0.016 1 685 65 65 SER CB C 63.811 0.017 1 686 65 65 SER N N 120.090 0.024 1 687 66 66 SER H H 8.507 0.010 1 688 66 66 SER HA H 4.430 0.006 1 689 66 66 SER CA C 58.542 0.033 1 690 66 66 SER CB C 63.735 0.020 1 691 66 66 SER N N 117.978 0.104 1 692 67 67 ASN H H 8.482 0.006 1 693 67 67 ASN HA H 4.752 0.001 1 694 67 67 ASN HB2 H 2.821 0.010 2 695 67 67 ASN HB3 H 2.735 0.011 2 696 67 67 ASN HD21 H 6.968 0.003 1 697 67 67 ASN HD22 H 7.664 0.000 1 698 67 67 ASN C C 175.199 0.000 1 699 67 67 ASN CA C 53.347 0.053 1 700 67 67 ASN CB C 38.930 0.021 1 701 67 67 ASN N N 120.839 0.137 1 702 67 67 ASN ND2 N 113.233 0.053 1 703 68 68 SER H H 8.364 0.005 1 704 68 68 SER HA H 4.427 0.002 1 705 68 68 SER HB2 H 3.915 0.000 2 706 68 68 SER HB3 H 3.822 0.001 2 707 68 68 SER C C 174.780 0.000 1 708 68 68 SER CA C 58.415 0.047 1 709 68 68 SER CB C 63.818 0.003 1 710 68 68 SER N N 116.501 0.039 1 711 69 69 SER H H 8.470 0.001 1 712 69 69 SER HA H 4.380 0.003 1 713 69 69 SER HB3 H 3.873 0.005 1 714 69 69 SER C C 174.778 0.000 1 715 69 69 SER CA C 58.798 0.221 1 716 69 69 SER CB C 63.644 0.055 1 717 69 69 SER N N 118.185 0.040 1 718 70 70 ALA H H 8.334 0.008 1 719 70 70 ALA HA H 4.280 0.003 1 720 70 70 ALA HB H 1.356 0.002 1 721 70 70 ALA C C 178.547 0.000 1 722 70 70 ALA CA C 53.166 0.167 1 723 70 70 ALA CB C 19.047 0.137 1 724 70 70 ALA N N 125.366 0.022 1 725 71 71 SER H H 8.394 0.002 1 726 71 71 SER HA H 4.384 0.002 1 727 71 71 SER HB2 H 3.896 0.001 2 728 71 71 SER HB3 H 3.996 0.005 2 729 71 71 SER C C 175.978 0.000 1 730 71 71 SER CA C 59.015 0.123 1 731 71 71 SER CB C 63.712 0.058 1 732 71 71 SER N N 115.592 0.014 1 733 72 72 ILE H H 8.295 0.005 1 734 72 72 ILE HA H 4.022 0.004 1 735 72 72 ILE HB H 1.894 0.005 1 736 72 72 ILE HG12 H 1.497 0.007 2 737 72 72 ILE HG13 H 1.204 0.004 2 738 72 72 ILE HG2 H 0.881 0.005 1 739 72 72 ILE HD1 H 0.818 0.004 1 740 72 72 ILE C C 177.441 0.000 1 741 72 72 ILE CA C 62.758 0.057 1 742 72 72 ILE CB C 38.091 0.068 1 743 72 72 ILE CG1 C 28.068 0.093 1 744 72 72 ILE CG2 C 17.641 0.158 1 745 72 72 ILE CD1 C 12.944 0.070 1 746 72 72 ILE N N 123.741 0.063 1 747 73 73 LEU H H 8.108 0.004 1 748 73 73 LEU HA H 4.194 0.005 1 749 73 73 LEU HB2 H 1.699 0.009 2 750 73 73 LEU HB3 H 1.582 0.007 2 751 73 73 LEU HG H 1.654 0.002 1 752 73 73 LEU HD1 H 0.865 0.012 1 753 73 73 LEU C C 174.033 0.000 1 754 73 73 LEU CA C 57.004 0.154 1 755 73 73 LEU CB C 41.877 0.097 1 756 73 73 LEU CG C 27.079 0.064 1 757 73 73 LEU CD1 C 23.617 0.103 1 758 73 73 LEU CD2 C 24.835 0.000 1 759 73 73 LEU N N 123.221 0.037 1 760 74 74 GLU H H 8.260 0.007 1 761 74 74 GLU HA H 4.185 0.002 1 762 74 74 GLU HB2 H 2.071 0.015 1 763 74 74 GLU HG2 H 2.336 0.003 2 764 74 74 GLU HG3 H 2.229 0.000 2 765 74 74 GLU CA C 58.319 0.026 1 766 74 74 GLU CB C 29.669 0.000 1 767 74 74 GLU N N 120.920 0.075 1 768 75 75 SER H H 8.429 0.006 1 769 75 75 SER HA H 4.124 0.003 1 770 75 75 SER HB2 H 3.814 0.006 2 771 75 75 SER HB3 H 3.985 0.000 2 772 75 75 SER CA C 61.853 0.000 1 773 75 75 SER CB C 62.430 0.000 1 774 75 75 SER N N 116.401 0.014 1 775 76 76 LYS HA H 4.162 0.011 1 776 76 76 LYS HB2 H 2.050 0.000 2 777 76 76 LYS HB3 H 1.877 0.000 2 778 76 76 LYS CA C 58.869 0.159 1 779 77 77 SER H H 8.288 0.003 1 780 77 77 SER HA H 4.401 0.006 1 781 77 77 SER HB3 H 4.041 0.000 1 782 77 77 SER C C 178.418 0.000 1 783 77 77 SER CA C 61.114 0.143 1 784 77 77 SER N N 115.246 0.042 1 785 78 78 LEU H H 8.193 0.008 1 786 78 78 LEU HA H 4.173 0.008 1 787 78 78 LEU HB2 H 1.851 0.000 2 788 78 78 LEU HB3 H 1.953 0.008 2 789 78 78 LEU HG H 1.858 0.000 1 790 78 78 LEU HD1 H 0.921 0.010 1 791 78 78 LEU C C 178.968 0.000 1 792 78 78 LEU CA C 57.922 0.000 1 793 78 78 LEU CB C 42.618 0.000 1 794 78 78 LEU CG C 27.238 0.000 1 795 78 78 LEU CD1 C 25.038 0.066 1 796 78 78 LEU N N 122.840 0.061 1 797 79 79 TYR H H 8.750 0.003 1 798 79 79 TYR HA H 3.756 0.009 1 799 79 79 TYR HB2 H 3.393 0.003 2 800 79 79 TYR HB3 H 3.501 0.005 2 801 79 79 TYR HD1 H 7.263 0.016 3 802 79 79 TYR HD2 H 7.263 0.016 3 803 79 79 TYR HE1 H 6.668 0.002 3 804 79 79 TYR HE2 H 6.668 0.002 3 805 79 79 TYR C C 177.028 0.000 1 806 79 79 TYR CA C 62.872 0.090 1 807 79 79 TYR CB C 38.612 0.127 1 808 79 79 TYR N N 121.343 0.034 1 809 80 80 ASP H H 8.553 0.004 1 810 80 80 ASP HA H 4.410 0.009 1 811 80 80 ASP HB2 H 2.696 0.011 2 812 80 80 ASP HB3 H 2.946 0.006 2 813 80 80 ASP CA C 57.132 0.114 1 814 80 80 ASP CB C 39.418 0.000 1 815 80 80 ASP N N 118.661 0.052 1 816 81 81 GLU H H 8.124 0.008 1 817 81 81 GLU HA H 4.110 0.001 1 818 81 81 GLU HB2 H 2.262 0.000 2 819 81 81 GLU HB3 H 2.141 0.012 2 820 81 81 GLU HG3 H 2.486 0.000 1 821 81 81 GLU N N 122.521 0.093 1 822 82 82 VAL H H 8.155 0.004 1 823 82 82 VAL HA H 3.116 0.008 1 824 82 82 VAL HB H 1.434 0.004 1 825 82 82 VAL HG1 H -0.523 0.004 1 826 82 82 VAL HG2 H 0.586 0.004 1 827 82 82 VAL C C 175.672 0.000 1 828 82 82 VAL CA C 66.785 0.047 1 829 82 82 VAL CB C 31.477 0.114 1 830 82 82 VAL CG1 C 21.390 0.000 1 831 82 82 VAL CG2 C 22.143 0.064 1 832 82 82 VAL N N 122.213 0.028 1 833 83 83 ALA H H 8.153 0.005 1 834 83 83 ALA HA H 3.815 0.010 1 835 83 83 ALA HB H 1.391 0.005 1 836 83 83 ALA C C 181.486 0.000 1 837 83 83 ALA CA C 55.129 0.084 1 838 83 83 ALA CB C 18.086 0.075 1 839 83 83 ALA N N 122.164 0.033 1 840 84 84 ALA H H 8.349 0.003 1 841 84 84 ALA HA H 4.113 0.006 1 842 84 84 ALA HB H 1.478 0.003 1 843 84 84 ALA C C 180.862 0.000 1 844 84 84 ALA CA C 54.995 0.002 1 845 84 84 ALA CB C 17.852 0.051 1 846 84 84 ALA N N 121.044 0.078 1 847 85 85 GLN H H 7.960 0.006 1 848 85 85 GLN HA H 4.202 0.005 1 849 85 85 GLN HB2 H 1.871 0.010 2 850 85 85 GLN HB3 H 2.100 0.008 2 851 85 85 GLN HG3 H 2.312 0.010 1 852 85 85 GLN HE21 H 7.570 0.007 1 853 85 85 GLN HE22 H 7.169 0.009 1 854 85 85 GLN C C 178.432 0.000 1 855 85 85 GLN CA C 57.206 0.070 1 856 85 85 GLN CB C 26.128 0.000 1 857 85 85 GLN N N 120.924 0.055 1 858 85 85 GLN NE2 N 110.098 0.064 1 859 86 86 GLY H H 8.771 0.004 1 860 86 86 GLY HA2 H 3.656 0.007 2 861 86 86 GLY HA3 H 3.979 0.005 2 862 86 86 GLY C C 176.779 0.000 1 863 86 86 GLY CA C 47.268 0.061 1 864 86 86 GLY N N 109.819 0.033 1 865 87 87 GLU H H 7.577 0.003 1 866 87 87 GLU HA H 4.375 0.007 1 867 87 87 GLU HB2 H 2.147 0.006 2 868 87 87 GLU HB3 H 2.065 0.001 2 869 87 87 GLU HG3 H 2.322 0.003 1 870 87 87 GLU C C 178.008 0.000 1 871 87 87 GLU CA C 58.170 0.174 1 872 87 87 GLU CB C 28.973 0.000 1 873 87 87 GLU N N 123.004 0.025 1 874 88 88 VAL H H 7.593 0.004 1 875 88 88 VAL HA H 3.561 0.003 1 876 88 88 VAL HB H 2.313 0.004 1 877 88 88 VAL HG1 H 0.894 0.005 1 878 88 88 VAL HG2 H 1.020 0.005 1 879 88 88 VAL C C 178.533 0.000 1 880 88 88 VAL CA C 66.948 0.013 1 881 88 88 VAL CB C 31.527 0.037 1 882 88 88 VAL CG1 C 20.954 0.067 1 883 88 88 VAL CG2 C 22.630 0.029 1 884 88 88 VAL N N 122.488 0.028 1 885 89 89 VAL H H 7.905 0.003 1 886 89 89 VAL HA H 3.278 0.012 1 887 89 89 VAL HB H 2.161 0.013 1 888 89 89 VAL HG1 H 0.875 0.008 1 889 89 89 VAL HG2 H 1.019 0.003 1 890 89 89 VAL CA C 67.691 0.000 1 891 89 89 VAL CB C 31.915 0.088 1 892 89 89 VAL CG1 C 22.023 0.000 1 893 89 89 VAL CG2 C 24.424 0.082 1 894 89 89 VAL N N 117.978 0.012 1 895 90 90 ARG H H 7.871 0.008 1 896 90 90 ARG HA H 3.902 0.004 1 897 90 90 ARG HB2 H 1.894 0.008 1 898 90 90 ARG HG2 H 1.496 0.002 2 899 90 90 ARG HG3 H 1.683 0.002 2 900 90 90 ARG HD2 H 3.097 0.004 2 901 90 90 ARG HD3 H 3.262 0.004 2 902 90 90 ARG C C 179.627 0.000 1 903 90 90 ARG CA C 60.010 0.000 1 904 90 90 ARG CG C 27.166 0.172 1 905 90 90 ARG CD C 42.901 0.070 1 906 90 90 ARG N N 118.349 0.061 1 907 91 91 LYS H H 8.407 0.003 1 908 91 91 LYS HA H 3.911 0.006 1 909 91 91 LYS HB3 H 1.871 0.000 1 910 91 91 LYS HG2 H 1.263 0.000 2 911 91 91 LYS HG3 H 1.519 0.001 2 912 91 91 LYS HD3 H 1.630 0.000 1 913 91 91 LYS HE3 H 2.921 0.001 1 914 91 91 LYS CA C 59.985 0.026 1 915 91 91 LYS CB C 32.793 0.000 1 916 91 91 LYS CG C 25.244 0.126 1 917 91 91 LYS N N 121.767 0.022 1 918 92 92 LEU H H 8.307 0.004 1 919 92 92 LEU HA H 4.022 0.008 1 920 92 92 LEU HB2 H 1.160 0.011 2 921 92 92 LEU HB3 H 1.891 0.004 2 922 92 92 LEU HG H 1.905 0.002 1 923 92 92 LEU HD1 H 0.804 0.002 1 924 92 92 LEU HD2 H 0.673 0.004 1 925 92 92 LEU CB C 43.089 0.000 1 926 92 92 LEU CG C 26.844 0.000 1 927 92 92 LEU CD1 C 22.366 0.145 1 928 92 92 LEU CD2 C 27.813 0.093 1 929 92 92 LEU N N 118.751 0.030 1 930 93 93 LYS H H 8.159 0.004 1 931 93 93 LYS HA H 4.014 0.005 1 932 93 93 LYS HB2 H 1.860 0.003 2 933 93 93 LYS HB3 H 1.811 0.000 2 934 93 93 LYS HG2 H 1.356 0.004 2 935 93 93 LYS HG3 H 1.679 0.010 2 936 93 93 LYS HD3 H 1.588 0.003 1 937 93 93 LYS HE2 H 2.822 0.006 2 938 93 93 LYS HE3 H 2.662 0.002 2 939 93 93 LYS CA C 59.951 0.088 1 940 93 93 LYS CB C 32.725 0.000 1 941 93 93 LYS CG C 26.757 0.101 1 942 93 93 LYS CD C 30.064 0.000 1 943 93 93 LYS CE C 41.721 0.039 1 944 93 93 LYS N N 117.456 0.044 1 945 94 94 ALA H H 8.294 0.007 1 946 94 94 ALA HA H 4.120 0.003 1 947 94 94 ALA HB H 1.519 0.001 1 948 94 94 ALA C C 179.483 0.000 1 949 94 94 ALA CA C 54.990 0.048 1 950 94 94 ALA CB C 18.349 0.075 1 951 94 94 ALA N N 124.159 0.049 1 952 95 95 GLU H H 7.896 0.005 1 953 95 95 GLU HA H 4.219 0.007 1 954 95 95 GLU HB2 H 2.125 0.000 2 955 95 95 GLU HB3 H 1.900 0.002 2 956 95 95 GLU HG2 H 2.331 0.008 2 957 95 95 GLU HG3 H 2.416 0.002 2 958 95 95 GLU C C 175.514 0.000 1 959 95 95 GLU CA C 55.705 0.014 1 960 95 95 GLU CB C 29.441 0.126 1 961 95 95 GLU CG C 36.164 0.112 1 962 95 95 GLU N N 115.165 0.014 1 963 96 96 LYS H H 7.926 0.007 1 964 96 96 LYS HA H 3.892 0.008 1 965 96 96 LYS HB2 H 2.015 0.001 2 966 96 96 LYS HB3 H 1.813 0.000 2 967 96 96 LYS HG3 H 1.325 0.004 1 968 96 96 LYS HD3 H 1.704 0.000 1 969 96 96 LYS HE3 H 2.979 0.000 1 970 96 96 LYS C C 176.292 0.000 1 971 96 96 LYS CA C 56.989 0.043 1 972 96 96 LYS CB C 28.544 0.011 1 973 96 96 LYS CG C 24.935 0.017 1 974 96 96 LYS N N 117.043 0.030 1 975 97 97 SER H H 7.619 0.002 1 976 97 97 SER HA H 4.537 0.000 1 977 97 97 SER HB2 H 3.762 0.005 2 978 97 97 SER HB3 H 3.543 0.006 2 979 97 97 SER CA C 58.972 0.000 1 980 97 97 SER CB C 62.494 0.000 1 981 97 97 SER N N 114.558 0.022 1 982 98 98 PRO HA H 4.383 0.003 1 983 98 98 PRO HB2 H 2.456 0.003 2 984 98 98 PRO HB3 H 2.079 0.014 2 985 98 98 PRO HG2 H 2.083 0.005 1 986 98 98 PRO HD2 H 3.511 0.010 2 987 98 98 PRO HD3 H 3.989 0.000 2 988 98 98 PRO C C 177.821 0.000 1 989 98 98 PRO CA C 63.282 0.053 1 990 98 98 PRO CB C 32.520 0.000 1 991 98 98 PRO CG C 28.064 0.076 1 992 98 98 PRO CD C 50.803 0.073 1 993 99 99 LYS H H 8.765 0.003 1 994 99 99 LYS HA H 3.796 0.006 1 995 99 99 LYS HB2 H 1.851 0.004 2 996 99 99 LYS HB3 H 1.784 0.004 2 997 99 99 LYS HG2 H 1.435 0.002 2 998 99 99 LYS HG3 H 1.494 0.010 2 999 99 99 LYS HD3 H 1.683 0.000 1 1000 99 99 LYS CA C 59.836 0.148 1 1001 99 99 LYS CB C 32.038 0.000 1 1002 99 99 LYS CG C 24.692 0.060 1 1003 99 99 LYS N N 125.092 0.093 1 1004 100 100 ALA H H 9.000 0.003 1 1005 100 100 ALA HA H 4.094 0.005 1 1006 100 100 ALA HB H 1.389 0.006 1 1007 100 100 ALA C C 180.704 0.000 1 1008 100 100 ALA CA C 55.235 0.089 1 1009 100 100 ALA CB C 18.376 0.083 1 1010 100 100 ALA N N 119.064 0.046 1 1011 101 101 LYS H H 7.149 0.003 1 1012 101 101 LYS HA H 4.130 0.007 1 1013 101 101 LYS HB2 H 1.975 0.000 2 1014 101 101 LYS HB3 H 1.832 0.008 2 1015 101 101 LYS HG2 H 1.530 0.001 2 1016 101 101 LYS HG3 H 1.451 0.009 2 1017 101 101 LYS CA C 57.623 0.115 1 1018 101 101 LYS CB C 32.170 0.002 1 1019 101 101 LYS CG C 24.752 0.051 1 1020 101 101 LYS N N 116.371 0.037 1 1021 102 102 ILE H H 7.665 0.004 1 1022 102 102 ILE HA H 3.481 0.006 1 1023 102 102 ILE HB H 1.821 0.005 1 1024 102 102 ILE HG12 H 1.493 0.015 2 1025 102 102 ILE HG13 H 0.669 0.003 2 1026 102 102 ILE HG2 H 0.854 0.008 1 1027 102 102 ILE HD1 H 0.794 0.003 1 1028 102 102 ILE C C 177.339 0.000 1 1029 102 102 ILE CA C 66.215 0.114 1 1030 102 102 ILE CB C 38.289 0.078 1 1031 102 102 ILE CG1 C 30.293 0.015 1 1032 102 102 ILE CG2 C 17.902 0.173 1 1033 102 102 ILE CD1 C 14.471 0.159 1 1034 102 102 ILE N N 121.241 0.058 1 1035 103 103 ASN H H 8.846 0.008 1 1036 103 103 ASN HA H 4.330 0.011 1 1037 103 103 ASN HB3 H 2.812 0.006 1 1038 103 103 ASN HD21 H 7.684 0.003 1 1039 103 103 ASN HD22 H 6.850 0.008 1 1040 103 103 ASN C C 178.099 0.000 1 1041 103 103 ASN CA C 56.210 0.118 1 1042 103 103 ASN CB C 37.448 0.059 1 1043 103 103 ASN N N 117.669 0.064 1 1044 103 103 ASN ND2 N 111.361 0.061 1 1045 104 104 GLU H H 7.713 0.008 1 1046 104 104 GLU HA H 4.044 0.012 1 1047 104 104 GLU HB2 H 2.081 0.007 1 1048 104 104 GLU HG2 H 2.194 0.007 2 1049 104 104 GLU HG3 H 2.414 0.003 2 1050 104 104 GLU C C 178.669 0.000 1 1051 104 104 GLU CA C 59.312 0.122 1 1052 104 104 GLU CB C 29.901 0.038 1 1053 104 104 GLU CG C 36.208 0.089 1 1054 104 104 GLU N N 119.785 0.033 1 1055 105 105 ALA H H 7.605 0.007 1 1056 105 105 ALA HA H 4.078 0.008 1 1057 105 105 ALA HB H 1.427 0.006 1 1058 105 105 ALA C C 180.712 0.000 1 1059 105 105 ALA CA C 54.589 0.074 1 1060 105 105 ALA CB C 19.267 0.094 1 1061 105 105 ALA N N 123.132 0.050 1 1062 106 106 VAL H H 8.941 0.004 1 1063 106 106 VAL HA H 3.534 0.006 1 1064 106 106 VAL HB H 2.207 0.013 1 1065 106 106 VAL HG1 H 0.923 0.007 1 1066 106 106 VAL HG2 H 1.077 0.009 1 1067 106 106 VAL C C 177.639 0.000 1 1068 106 106 VAL CA C 66.820 0.022 1 1069 106 106 VAL CB C 31.990 0.000 1 1070 106 106 VAL CG1 C 21.058 0.064 1 1071 106 106 VAL CG2 C 24.115 0.053 1 1072 106 106 VAL N N 123.067 0.015 1 1073 107 107 GLU H H 8.389 0.003 1 1074 107 107 GLU HA H 3.930 0.006 1 1075 107 107 GLU HB2 H 2.082 0.003 1 1076 107 107 GLU HG2 H 2.246 0.008 2 1077 107 107 GLU HG3 H 2.363 0.012 2 1078 107 107 GLU CA C 59.917 0.146 1 1079 107 107 GLU CB C 28.966 0.062 1 1080 107 107 GLU CG C 36.193 0.046 1 1081 107 107 GLU N N 120.666 0.039 1 1082 108 108 CYS H H 7.730 0.002 1 1083 108 108 CYS HA H 4.184 0.006 1 1084 108 108 CYS HB2 H 3.164 0.003 2 1085 108 108 CYS HB3 H 2.815 0.004 2 1086 108 108 CYS C C 176.543 0.000 1 1087 108 108 CYS CA C 61.790 0.073 1 1088 108 108 CYS CB C 26.537 0.108 1 1089 108 108 CYS N N 119.059 0.025 1 1090 109 109 LEU H H 8.015 0.008 1 1091 109 109 LEU HA H 3.874 0.005 1 1092 109 109 LEU HB2 H 1.338 0.004 2 1093 109 109 LEU HB3 H 2.451 0.007 2 1094 109 109 LEU HG H 1.366 0.000 1 1095 109 109 LEU HD1 H 0.723 0.005 1 1096 109 109 LEU HD2 H 0.936 0.008 1 1097 109 109 LEU C C 177.778 0.000 1 1098 109 109 LEU CA C 58.565 0.126 1 1099 109 109 LEU CB C 42.070 0.080 1 1100 109 109 LEU CG C 27.181 0.030 1 1101 109 109 LEU CD1 C 24.056 0.070 1 1102 109 109 LEU CD2 C 26.686 0.000 1 1103 109 109 LEU N N 120.908 0.021 1 1104 110 110 LEU H H 8.864 0.005 1 1105 110 110 LEU HA H 3.912 0.005 1 1106 110 110 LEU HB2 H 1.882 0.022 2 1107 110 110 LEU HB3 H 1.494 0.007 2 1108 110 110 LEU HG H 1.852 0.001 1 1109 110 110 LEU HD1 H 0.828 0.000 1 1110 110 110 LEU HD2 H 0.846 0.005 1 1111 110 110 LEU C C 180.694 0.000 1 1112 110 110 LEU CA C 58.352 0.089 1 1113 110 110 LEU CB C 41.488 0.124 1 1114 110 110 LEU CG C 26.934 0.065 1 1115 110 110 LEU CD1 C 23.046 0.000 1 1116 110 110 LEU CD2 C 25.066 0.083 1 1117 110 110 LEU N N 118.620 0.035 1 1118 111 111 SER H H 8.065 0.003 1 1119 111 111 SER HA H 4.316 0.008 1 1120 111 111 SER HB3 H 4.040 0.005 1 1121 111 111 SER CA C 61.417 0.086 1 1122 111 111 SER CB C 62.609 0.067 1 1123 111 111 SER N N 116.684 0.014 1 1124 112 112 LEU H H 8.424 0.009 1 1125 112 112 LEU HA H 4.065 0.013 1 1126 112 112 LEU HB2 H 1.925 0.000 2 1127 112 112 LEU HB3 H 1.303 0.002 2 1128 112 112 LEU HG H 1.843 0.002 1 1129 112 112 LEU HD1 H 0.764 0.002 1 1130 112 112 LEU HD2 H 0.719 0.014 1 1131 112 112 LEU C C 179.940 0.000 1 1132 112 112 LEU CB C 42.959 0.016 1 1133 112 112 LEU CG C 26.987 0.000 1 1134 112 112 LEU CD1 C 22.374 0.062 1 1135 112 112 LEU CD2 C 26.686 0.063 1 1136 112 112 LEU N N 123.268 0.093 1 1137 113 113 LYS H H 8.707 0.004 1 1138 113 113 LYS HA H 3.735 0.004 1 1139 113 113 LYS HB2 H 1.897 0.008 2 1140 113 113 LYS HB3 H 2.017 0.001 2 1141 113 113 LYS HG2 H 1.603 0.005 2 1142 113 113 LYS HG3 H 0.885 0.008 2 1143 113 113 LYS HD3 H 1.606 0.001 1 1144 113 113 LYS HE2 H 2.757 0.000 2 1145 113 113 LYS HE3 H 2.658 0.001 2 1146 113 113 LYS C C 179.685 0.000 1 1147 113 113 LYS CA C 61.304 0.064 1 1148 113 113 LYS CB C 32.586 0.066 1 1149 113 113 LYS CG C 28.225 0.005 1 1150 113 113 LYS CD C 30.006 0.076 1 1151 113 113 LYS CE C 41.888 0.055 1 1152 113 113 LYS N N 119.474 0.036 1 1153 114 114 ALA H H 8.143 0.004 1 1154 114 114 ALA HA H 4.298 0.003 1 1155 114 114 ALA HB H 1.580 0.004 1 1156 114 114 ALA C C 180.978 0.000 1 1157 114 114 ALA CA C 55.262 0.000 1 1158 114 114 ALA CB C 17.671 0.060 1 1159 114 114 ALA N N 124.333 0.022 1 1160 115 115 GLN H H 8.402 0.003 1 1161 115 115 GLN HA H 4.100 0.006 1 1162 115 115 GLN HB2 H 2.149 0.003 2 1163 115 115 GLN HB3 H 2.262 0.003 2 1164 115 115 GLN HG2 H 2.330 0.004 2 1165 115 115 GLN HG3 H 2.574 0.006 2 1166 115 115 GLN HE21 H 6.958 0.002 1 1167 115 115 GLN HE22 H 7.336 0.002 1 1168 115 115 GLN CA C 58.940 0.176 1 1169 115 115 GLN CB C 29.232 0.106 1 1170 115 115 GLN CG C 34.466 0.128 1 1171 115 115 GLN N N 120.627 0.096 1 1172 115 115 GLN NE2 N 111.530 0.036 1 1173 116 116 TYR H H 8.721 0.003 1 1174 116 116 TYR HA H 3.947 0.003 1 1175 116 116 TYR HB2 H 2.980 0.004 2 1176 116 116 TYR HB3 H 3.299 0.004 2 1177 116 116 TYR HD1 H 7.157 0.005 3 1178 116 116 TYR HD2 H 7.157 0.005 3 1179 116 116 TYR HE1 H 6.867 0.005 3 1180 116 116 TYR HE2 H 6.867 0.005 3 1181 116 116 TYR C C 178.202 0.000 1 1182 116 116 TYR CA C 62.883 0.000 1 1183 116 116 TYR CB C 38.778 0.082 1 1184 116 116 TYR N N 121.738 0.033 1 1185 117 117 LYS H H 8.053 0.004 1 1186 117 117 LYS HA H 4.453 0.002 1 1187 117 117 LYS HB3 H 1.981 0.008 1 1188 117 117 LYS HG2 H 1.026 0.002 2 1189 117 117 LYS HG3 H 1.352 0.002 2 1190 117 117 LYS HE3 H 2.872 0.002 1 1191 117 117 LYS C C 179.764 0.000 1 1192 117 117 LYS CA C 58.364 0.006 1 1193 117 117 LYS CB C 32.342 0.000 1 1194 117 117 LYS CG C 24.701 0.074 1 1195 117 117 LYS CD C 29.289 0.000 1 1196 117 117 LYS CE C 42.267 0.090 1 1197 117 117 LYS N N 123.089 0.045 1 1198 118 118 GLU H H 8.110 0.004 1 1199 118 118 GLU HA H 3.927 0.002 1 1200 118 118 GLU HB2 H 2.103 0.002 1 1201 118 118 GLU HG2 H 2.298 0.005 2 1202 118 118 GLU HG3 H 2.206 0.004 2 1203 118 118 GLU C C 178.597 0.000 1 1204 118 118 GLU CA C 59.294 0.081 1 1205 118 118 GLU CB C 29.683 0.126 1 1206 118 118 GLU CG C 36.094 0.088 1 1207 118 118 GLU N N 120.674 0.071 1 1208 119 119 LYS H H 8.227 0.003 1 1209 119 119 LYS HA H 4.105 0.008 1 1210 119 119 LYS HB2 H 1.768 0.005 2 1211 119 119 LYS HB3 H 1.586 0.001 2 1212 119 119 LYS HG3 H 1.399 0.003 1 1213 119 119 LYS HE3 H 2.662 0.000 1 1214 119 119 LYS C C 178.457 0.000 1 1215 119 119 LYS CA C 58.238 0.060 1 1216 119 119 LYS CB C 32.989 0.092 1 1217 119 119 LYS CG C 25.696 0.046 1 1218 119 119 LYS CD C 28.979 0.000 1 1219 119 119 LYS CE C 41.755 0.000 1 1220 119 119 LYS N N 116.034 0.035 1 1221 120 120 THR H H 8.103 0.004 1 1222 120 120 THR HA H 4.359 0.017 1 1223 120 120 THR HB H 4.043 0.011 1 1224 120 120 THR HG1 H 2.704 0.003 1 1225 120 120 THR HG2 H 0.746 0.005 1 1226 120 120 THR CA C 62.821 0.091 1 1227 120 120 THR CB C 68.289 0.000 1 1228 120 120 THR CG2 C 19.615 0.096 1 1229 120 120 THR N N 105.912 0.023 1 1230 121 121 GLY H H 8.150 0.003 1 1231 121 121 GLY HA2 H 4.235 0.002 2 1232 121 121 GLY HA3 H 3.794 0.004 2 1233 121 121 GLY C C 173.372 0.000 1 1234 121 121 GLY CA C 45.462 0.083 1 1235 121 121 GLY N N 112.123 0.002 1 1236 122 122 LYS H H 8.264 0.005 1 1237 122 122 LYS HA H 4.611 0.006 1 1238 122 122 LYS HB2 H 1.874 0.007 2 1239 122 122 LYS HB3 H 1.753 0.008 2 1240 122 122 LYS HG3 H 1.345 0.003 1 1241 122 122 LYS HD3 H 1.611 0.000 1 1242 122 122 LYS HE3 H 3.004 0.001 1 1243 122 122 LYS C C 173.868 0.000 1 1244 122 122 LYS CA C 54.287 0.083 1 1245 122 122 LYS CB C 35.610 0.119 1 1246 122 122 LYS CE C 42.257 0.024 1 1247 122 122 LYS N N 121.136 0.032 1 1248 123 123 GLU H H 8.148 0.003 1 1249 123 123 GLU HA H 4.387 0.001 1 1250 123 123 GLU HB2 H 1.956 0.009 2 1251 123 123 GLU HB3 H 1.871 0.004 2 1252 123 123 GLU HG2 H 2.367 0.001 2 1253 123 123 GLU HG3 H 2.317 0.008 2 1254 123 123 GLU CA C 55.688 0.048 1 1255 123 123 GLU CB C 30.267 0.188 1 1256 123 123 GLU CG C 36.115 0.045 1 1257 123 123 GLU N N 117.280 0.029 1 1258 124 124 TYR H H 9.261 0.004 1 1259 124 124 TYR HA H 3.884 0.003 1 1260 124 124 TYR HB2 H 2.630 0.008 2 1261 124 124 TYR HB3 H 2.328 0.000 2 1262 124 124 TYR HD1 H 6.189 0.007 3 1263 124 124 TYR HD2 H 6.189 0.007 3 1264 124 124 TYR C C 174.124 0.000 1 1265 124 124 TYR CA C 59.947 0.120 1 1266 124 124 TYR CB C 38.348 0.000 1 1267 124 124 TYR N N 125.301 0.036 1 1268 125 125 ILE H H 7.803 0.004 1 1269 125 125 ILE HA H 4.250 0.003 1 1270 125 125 ILE HB H 1.623 0.006 1 1271 125 125 ILE HG12 H 1.466 0.008 2 1272 125 125 ILE HG13 H 1.009 0.006 2 1273 125 125 ILE HG2 H 0.757 0.003 1 1274 125 125 ILE HD1 H 0.775 0.001 1 1275 125 125 ILE CA C 57.070 0.000 1 1276 125 125 ILE CB C 40.481 0.138 1 1277 125 125 ILE CG1 C 26.574 0.000 1 1278 125 125 ILE CG2 C 16.566 0.097 1 1279 125 125 ILE CD1 C 12.453 0.122 1 1280 125 125 ILE N N 131.495 0.053 1 1281 126 126 PRO HA H 3.998 0.010 1 1282 126 126 PRO HB2 H 2.258 0.014 2 1283 126 126 PRO HB3 H 1.909 0.004 2 1284 126 126 PRO HG2 H 2.019 0.019 1 1285 126 126 PRO HD2 H 3.469 0.001 2 1286 126 126 PRO HD3 H 3.631 0.004 2 1287 126 126 PRO C C 177.199 0.000 1 1288 126 126 PRO CA C 62.958 0.000 1 1289 126 126 PRO CB C 32.188 0.087 1 1290 126 126 PRO CG C 27.230 0.000 1 1291 126 126 PRO CD C 51.007 0.302 1 1292 127 127 GLY H H 8.577 0.002 1 1293 127 127 GLY HA2 H 4.034 0.000 2 1294 127 127 GLY HA3 H 3.753 0.001 2 1295 127 127 GLY C C 173.859 0.000 1 1296 127 127 GLY CA C 45.454 0.075 1 1297 127 127 GLY N N 110.658 0.016 1 1298 128 128 GLN H H 7.904 0.002 1 1299 128 128 GLN HA H 4.694 0.000 1 1300 128 128 GLN HB2 H 1.930 0.006 2 1301 128 128 GLN HB3 H 1.690 0.001 2 1302 128 128 GLN HG3 H 2.146 0.007 1 1303 128 128 GLN HE21 H 7.512 0.001 1 1304 128 128 GLN HE22 H 6.831 0.003 1 1305 128 128 GLN CA C 52.847 0.000 1 1306 128 128 GLN CB C 28.920 0.091 1 1307 128 128 GLN CG C 33.433 0.082 1 1308 128 128 GLN N N 119.779 0.031 1 1309 128 128 GLN NE2 N 112.431 0.011 1 1310 129 129 PRO C C 176.212 0.000 1 1311 130 130 PRO HA H 4.325 0.000 1 1312 130 130 PRO C C 176.212 0.000 1 1313 130 130 PRO CA C 62.729 0.000 1 1314 130 130 PRO CB C 31.728 0.000 1 1315 131 131 LEU H H 8.285 0.004 1 1316 131 131 LEU HA H 4.311 0.010 1 1317 131 131 LEU HB2 H 1.569 0.004 2 1318 131 131 LEU HB3 H 1.503 0.002 2 1319 131 131 LEU HD1 H 0.802 0.009 1 1320 131 131 LEU C C 177.383 0.000 1 1321 131 131 LEU CA C 54.793 0.065 1 1322 131 131 LEU CB C 42.842 0.123 1 1323 131 131 LEU CG C 26.872 0.072 1 1324 131 131 LEU CD1 C 23.385 0.158 1 1325 131 131 LEU CD2 C 24.974 0.079 1 1326 131 131 LEU N N 122.118 0.065 1 1327 132 132 SER H H 8.408 0.002 1 1328 132 132 SER HA H 4.372 0.000 1 1329 132 132 SER HB3 H 3.797 0.000 1 1330 132 132 SER CA C 58.302 0.027 1 1331 132 132 SER CB C 63.896 0.096 1 1332 132 132 SER N N 116.662 0.017 1 1333 133 133 GLN H H 8.515 0.005 1 1334 133 133 GLN HA H 4.384 0.002 1 1335 133 133 GLN HB2 H 2.102 0.004 2 1336 133 133 GLN HB3 H 1.928 0.010 2 1337 133 133 GLN HG3 H 2.321 0.001 1 1338 133 133 GLN C C 175.974 0.000 1 1339 133 133 GLN CA C 55.627 0.078 1 1340 133 133 GLN CB C 29.930 0.010 1 1341 133 133 GLN CG C 33.692 0.045 1 1342 134 134 SER H H 8.513 0.004 1 1343 134 134 SER HA H 4.438 0.002 1 1344 134 134 SER HB2 H 3.911 0.000 2 1345 134 134 SER HB3 H 3.823 0.003 2 1346 134 134 SER C C 177.482 0.000 1 1347 134 134 SER CA C 58.412 0.091 1 1348 134 134 SER CB C 63.716 0.062 1 1349 134 134 SER N N 117.634 0.017 1 1350 135 135 SER H H 8.446 0.002 1 1351 135 135 SER HA H 4.435 0.000 1 1352 135 135 SER HB2 H 3.885 0.000 2 1353 135 135 SER HB3 H 3.827 0.000 2 1354 135 135 SER C C 174.396 0.000 1 1355 135 135 SER CA C 58.558 0.002 1 1356 135 135 SER CB C 63.760 0.003 1 1357 135 135 SER N N 118.232 0.026 1 1358 136 136 ASP H H 8.385 0.004 1 1359 136 136 ASP HA H 4.605 0.002 1 1360 136 136 ASP HB2 H 2.615 0.004 2 1361 136 136 ASP HB3 H 2.681 0.005 2 1362 136 136 ASP C C 176.269 0.000 1 1363 136 136 ASP CA C 54.523 0.085 1 1364 136 136 ASP CB C 41.138 0.032 1 1365 136 136 ASP N N 122.492 0.072 1 1366 137 137 SER H H 8.262 0.002 1 1367 137 137 SER HA H 4.435 0.001 1 1368 137 137 SER HB3 H 3.834 0.000 1 1369 137 137 SER C C 174.310 0.000 1 1370 137 137 SER CA C 58.236 0.006 1 1371 137 137 SER CB C 63.780 0.005 1 1372 137 137 SER N N 116.197 0.027 1 1373 138 138 SER H H 8.362 0.003 1 1374 138 138 SER HA H 4.706 0.001 1 1375 138 138 SER HB3 H 3.815 0.000 1 1376 138 138 SER CA C 56.706 0.000 1 1377 138 138 SER CB C 63.268 0.000 1 1378 138 138 SER N N 119.160 0.060 1 1379 139 139 PRO HA H 4.477 0.001 1 1380 139 139 PRO HB2 H 1.893 0.006 2 1381 139 139 PRO HB3 H 2.280 0.002 2 1382 139 139 PRO HG2 H 1.989 0.004 1 1383 139 139 PRO HD2 H 3.798 0.008 2 1384 139 139 PRO HD3 H 3.695 0.002 2 1385 139 139 PRO C C 177.201 0.000 1 1386 139 139 PRO CA C 63.336 0.061 1 1387 139 139 PRO CB C 32.089 0.118 1 1388 139 139 PRO CG C 27.357 0.000 1 1389 139 139 PRO CD C 50.784 0.122 1 1390 140 140 THR H H 8.275 0.002 1 1391 140 140 THR HA H 4.244 0.004 1 1392 140 140 THR HB H 4.153 0.004 1 1393 140 140 THR HG2 H 1.168 0.001 1 1394 140 140 THR CA C 61.964 0.075 1 1395 140 140 THR CB C 69.689 0.072 1 1396 140 140 THR CG2 C 21.723 0.019 1 1397 140 140 THR N N 114.610 0.056 1 1398 141 141 ARG H H 8.385 0.003 1 1399 141 141 ARG HA H 4.323 0.002 1 1400 141 141 ARG HB2 H 1.723 0.007 2 1401 141 141 ARG HB3 H 1.822 0.009 2 1402 141 141 ARG HG3 H 1.573 0.004 1 1403 141 141 ARG HD2 H 3.149 0.001 1 1404 141 141 ARG C C 175.963 0.000 1 1405 141 141 ARG CA C 55.961 0.084 1 1406 141 141 ARG CB C 30.870 0.028 1 1407 141 141 ARG CG C 26.961 0.018 1 1408 141 141 ARG CD C 43.143 0.055 1 1409 141 141 ARG N N 123.837 0.028 1 1410 142 142 ASN H H 8.608 0.009 1 1411 142 142 ASN HA H 4.686 0.006 1 1412 142 142 ASN HB2 H 2.709 0.007 2 1413 142 142 ASN HB3 H 2.809 0.008 2 1414 142 142 ASN HD21 H 6.964 0.000 1 1415 142 142 ASN HD22 H 7.665 0.000 1 1416 142 142 ASN C C 175.341 0.000 1 1417 142 142 ASN CA C 53.313 0.046 1 1418 142 142 ASN CB C 38.834 0.130 1 1419 142 142 ASN N N 120.725 0.008 1 1420 142 142 ASN ND2 N 113.339 0.000 1 1421 143 143 SER H H 8.365 0.002 1 1422 143 143 SER HA H 4.410 0.000 1 1423 143 143 SER HB3 H 3.812 0.009 1 1424 143 143 SER C C 174.438 0.000 1 1425 143 143 SER CA C 58.366 0.060 1 1426 143 143 SER CB C 63.819 0.028 1 1427 143 143 SER N N 116.496 0.034 1 1428 144 144 GLU H H 8.525 0.009 1 1429 144 144 GLU HA H 4.377 0.000 1 1430 144 144 GLU HB2 H 1.945 0.001 1 1431 144 144 GLU HG3 H 2.317 0.001 1 1432 144 144 GLU C C 176.592 0.000 1 1433 144 144 GLU CA C 55.724 0.000 1 1434 144 144 GLU CB C 29.814 0.092 1 1435 144 144 GLU N N 122.383 0.098 1 1436 145 145 PRO HA H 4.344 0.000 1 1437 145 145 PRO HB3 H 2.218 0.000 1 1438 145 145 PRO HG2 H 1.839 0.000 2 1439 145 145 PRO HG3 H 1.953 0.000 2 1440 145 145 PRO C C 176.592 0.000 1 1441 145 145 PRO CA C 63.169 0.010 1 1442 145 145 PRO CB C 32.112 0.041 1 1443 146 146 ALA H H 8.509 0.007 1 1444 146 146 ALA HA H 4.290 0.003 1 1445 146 146 ALA HB H 1.352 0.001 1 1446 146 146 ALA C C 174.342 0.000 1 1447 146 146 ALA CA C 52.490 0.147 1 1448 146 146 ALA CB C 19.462 0.159 1 1449 146 146 ALA N N 124.865 0.026 1 1450 147 147 GLY H H 8.465 0.006 1 1451 147 147 GLY HA2 H 3.925 0.001 2 1452 147 147 GLY HA3 H 3.904 0.003 2 1453 147 147 GLY C C 174.342 0.000 1 1454 147 147 GLY CA C 45.480 0.021 1 1455 147 147 GLY N N 107.990 0.014 1 1456 148 148 LEU H H 8.168 0.001 1 1457 148 148 LEU HA H 4.189 0.003 1 1458 148 148 LEU HB2 H 1.600 0.011 2 1459 148 148 LEU HB3 H 1.534 0.009 2 1460 148 148 LEU HG H 1.576 0.002 1 1461 148 148 LEU HD1 H 0.837 0.005 1 1462 148 148 LEU HD2 H 0.844 0.008 1 1463 148 148 LEU C C 177.340 0.000 1 1464 148 148 LEU CA C 55.628 0.114 1 1465 148 148 LEU CB C 42.317 0.071 1 1466 148 148 LEU CG C 27.091 0.172 1 1467 148 148 LEU CD1 C 23.697 0.075 1 1468 148 148 LEU CD2 C 24.951 0.047 1 1469 148 148 LEU N N 121.124 0.031 1 1470 149 149 GLU H H 8.497 0.002 1 1471 149 149 GLU HA H 4.325 0.017 1 1472 149 149 GLU HB2 H 2.108 0.002 1 1473 149 149 GLU HG3 H 2.211 0.000 1 1474 149 149 GLU C C 176.559 0.000 1 1475 149 149 GLU CA C 56.155 0.086 1 1476 149 149 GLU CB C 29.988 0.040 1 1477 149 149 GLU N N 119.505 0.019 1 1478 150 150 THR H H 7.726 0.007 1 1479 150 150 THR HA H 4.596 0.003 1 1480 150 150 THR HB H 4.520 0.002 1 1481 150 150 THR HG2 H 1.299 0.001 1 1482 150 150 THR CA C 59.941 0.062 1 1483 150 150 THR CB C 69.133 0.091 1 1484 150 150 THR CG2 C 22.142 0.051 1 1485 150 150 THR N N 114.384 0.025 1 1486 151 151 PRO HA H 4.277 0.002 1 1487 151 151 PRO HB3 H 2.174 0.001 1 1488 151 151 PRO HD3 H 3.882 0.000 1 1489 151 151 PRO C C 178.999 0.000 1 1490 151 151 PRO CA C 65.212 0.105 1 1491 151 151 PRO CB C 31.906 0.000 1 1492 152 152 GLU H H 8.869 0.005 1 1493 152 152 GLU HA H 3.988 0.005 1 1494 152 152 GLU HB2 H 2.031 0.006 2 1495 152 152 GLU HB3 H 1.916 0.003 2 1496 152 152 GLU HG2 H 2.372 0.003 2 1497 152 152 GLU HG3 H 2.269 0.004 2 1498 152 152 GLU C C 178.851 0.000 1 1499 152 152 GLU CA C 59.683 0.099 1 1500 152 152 GLU CB C 29.071 0.102 1 1501 152 152 GLU CG C 36.550 0.178 1 1502 152 152 GLU N N 117.520 0.027 1 1503 153 153 ALA H H 8.007 0.007 1 1504 153 153 ALA HA H 3.996 0.002 1 1505 153 153 ALA HB H 1.495 0.006 1 1506 153 153 ALA C C 179.306 0.000 1 1507 153 153 ALA CA C 55.485 0.049 1 1508 153 153 ALA CB C 18.997 0.064 1 1509 153 153 ALA N N 123.143 0.035 1 1510 154 154 LYS H H 7.890 0.003 1 1511 154 154 LYS HA H 4.153 0.003 1 1512 154 154 LYS HB2 H 1.892 0.001 2 1513 154 154 LYS HB3 H 1.947 0.009 2 1514 154 154 LYS HG2 H 1.514 0.010 2 1515 154 154 LYS HG3 H 1.409 0.002 2 1516 154 154 LYS C C 178.572 0.000 1 1517 154 154 LYS CA C 59.052 0.148 1 1518 154 154 LYS CB C 32.063 0.016 1 1519 154 154 LYS CG C 25.225 0.094 1 1520 154 154 LYS N N 118.906 0.066 1 1521 155 155 VAL H H 7.768 0.004 1 1522 155 155 VAL HA H 3.854 0.002 1 1523 155 155 VAL HB H 2.115 0.004 1 1524 155 155 VAL HG1 H 0.963 0.003 1 1525 155 155 VAL HG2 H 1.082 0.004 1 1526 155 155 VAL C C 179.476 0.000 1 1527 155 155 VAL CA C 66.031 0.053 1 1528 155 155 VAL CB C 32.089 0.077 1 1529 155 155 VAL CG1 C 21.168 0.039 1 1530 155 155 VAL CG2 C 22.909 0.050 1 1531 155 155 VAL N N 118.297 0.069 1 1532 156 156 LEU H H 7.743 0.005 1 1533 156 156 LEU HA H 4.211 0.008 1 1534 156 156 LEU HB3 H 1.875 0.004 1 1535 156 156 LEU HG H 1.510 0.000 1 1536 156 156 LEU HD2 H 0.936 0.000 1 1537 156 156 LEU C C 178.152 0.000 1 1538 156 156 LEU CA C 57.911 0.023 1 1539 156 156 LEU CB C 42.157 0.117 1 1540 156 156 LEU CD2 C 25.100 0.000 1 1541 156 156 LEU N N 120.664 0.023 1 1542 157 157 PHE H H 9.080 0.002 1 1543 157 157 PHE HA H 3.758 0.006 1 1544 157 157 PHE HB3 H 3.496 0.004 1 1545 157 157 PHE HD1 H 7.375 0.000 3 1546 157 157 PHE HD2 H 7.375 0.000 3 1547 157 157 PHE HE1 H 6.926 0.000 3 1548 157 157 PHE HE2 H 6.926 0.000 3 1549 157 157 PHE HZ H 7.158 0.004 1 1550 157 157 PHE C C 174.830 0.000 1 1551 157 157 PHE CA C 62.729 0.103 1 1552 157 157 PHE CB C 39.569 0.118 1 1553 157 157 PHE N N 121.518 0.029 1 1554 158 158 ASP H H 8.441 0.004 1 1555 158 158 ASP HA H 4.515 0.005 1 1556 158 158 ASP HB2 H 2.925 0.015 2 1557 158 158 ASP HB3 H 2.710 0.006 2 1558 158 158 ASP C C 179.671 0.000 1 1559 158 158 ASP CA C 57.238 0.128 1 1560 158 158 ASP CB C 39.889 0.106 1 1561 158 158 ASP N N 118.264 0.036 1 1562 159 159 LYS H H 8.182 0.004 1 1563 159 159 LYS HA H 4.112 0.003 1 1564 159 159 LYS HB2 H 2.143 0.001 2 1565 159 159 LYS HB3 H 1.903 0.007 2 1566 159 159 LYS HG2 H 1.469 0.009 2 1567 159 159 LYS HG3 H 1.406 0.000 2 1568 159 159 LYS HD2 H 1.767 0.001 2 1569 159 159 LYS HD3 H 1.618 0.000 2 1570 159 159 LYS HE3 H 2.887 0.016 1 1571 159 159 LYS C C 179.801 0.000 1 1572 159 159 LYS CA C 59.880 0.125 1 1573 159 159 LYS CB C 33.028 0.003 1 1574 159 159 LYS CE C 42.073 0.107 1 1575 159 159 LYS N N 122.476 0.036 1 1576 160 160 VAL H H 8.364 0.005 1 1577 160 160 VAL HA H 3.098 0.004 1 1578 160 160 VAL HB H 1.495 0.003 1 1579 160 160 VAL HG1 H -0.345 0.004 1 1580 160 160 VAL HG2 H 0.618 0.005 1 1581 160 160 VAL CA C 66.818 0.055 1 1582 160 160 VAL CB C 31.442 0.124 1 1583 160 160 VAL CG1 C 21.216 0.079 1 1584 160 160 VAL CG2 C 22.646 0.055 1 1585 160 160 VAL N N 121.919 0.038 1 1586 161 161 ALA H H 8.192 0.007 1 1587 161 161 ALA HA H 3.797 0.002 1 1588 161 161 ALA HB H 1.416 0.001 1 1589 161 161 ALA C C 181.761 0.000 1 1590 161 161 ALA CA C 55.401 0.095 1 1591 161 161 ALA CB C 18.105 0.090 1 1592 161 161 ALA N N 122.864 0.035 1 1593 162 162 SER H H 8.603 0.002 1 1594 162 162 SER HA H 4.183 0.007 1 1595 162 162 SER HB2 H 3.922 0.000 2 1596 162 162 SER HB3 H 3.978 0.006 2 1597 162 162 SER C C 177.368 0.000 1 1598 162 162 SER CA C 61.863 0.075 1 1599 162 162 SER CB C 62.555 0.121 1 1600 162 162 SER N N 114.970 0.028 1 1601 163 163 GLN H H 8.267 0.007 1 1602 163 163 GLN HA H 4.194 0.007 1 1603 163 163 GLN HB3 H 2.117 0.003 1 1604 163 163 GLN HG3 H 2.329 0.005 1 1605 163 163 GLN HE21 H 7.560 0.003 1 1606 163 163 GLN HE22 H 7.362 0.004 1 1607 163 163 GLN C C 178.415 0.000 1 1608 163 163 GLN CA C 57.230 0.006 1 1609 163 163 GLN CB C 26.204 0.032 1 1610 163 163 GLN N N 123.757 0.035 1 1611 163 163 GLN NE2 N 110.708 0.059 1 1612 164 164 GLY H H 8.699 0.002 1 1613 164 164 GLY HA2 H 4.001 0.011 2 1614 164 164 GLY HA3 H 3.664 0.011 2 1615 164 164 GLY C C 176.736 0.000 1 1616 164 164 GLY CA C 47.252 0.075 1 1617 164 164 GLY N N 109.281 0.037 1 1618 165 165 GLU H H 7.503 0.004 1 1619 165 165 GLU HA H 4.308 0.005 1 1620 165 165 GLU HB2 H 2.095 0.010 2 1621 165 165 GLU HB3 H 2.190 0.001 2 1622 165 165 GLU HG3 H 2.336 0.002 1 1623 165 165 GLU C C 178.364 0.000 1 1624 165 165 GLU CA C 58.255 0.115 1 1625 165 165 GLU CB C 28.975 0.041 1 1626 165 165 GLU CG C 35.608 0.047 1 1627 165 165 GLU N N 122.595 0.016 1 1628 166 166 VAL H H 7.647 0.005 1 1629 166 166 VAL HA H 3.564 0.003 1 1630 166 166 VAL HB H 2.309 0.006 1 1631 166 166 VAL HG1 H 0.885 0.006 1 1632 166 166 VAL HG2 H 1.017 0.004 1 1633 166 166 VAL C C 178.556 0.000 1 1634 166 166 VAL CA C 66.866 0.030 1 1635 166 166 VAL CB C 31.544 0.054 1 1636 166 166 VAL CG1 C 20.895 0.058 1 1637 166 166 VAL CG2 C 22.619 0.015 1 1638 166 166 VAL N N 122.725 0.028 1 1639 167 167 VAL H H 7.906 0.004 1 1640 167 167 VAL HA H 3.297 0.003 1 1641 167 167 VAL HB H 2.162 0.007 1 1642 167 167 VAL HG1 H 0.869 0.009 1 1643 167 167 VAL HG2 H 1.020 0.003 1 1644 167 167 VAL C C 176.754 0.000 1 1645 167 167 VAL CA C 67.626 0.024 1 1646 167 167 VAL CB C 32.053 0.023 1 1647 167 167 VAL CG1 C 21.830 0.084 1 1648 167 167 VAL CG2 C 24.378 0.134 1 1649 167 167 VAL N N 118.008 0.059 1 1650 168 168 ARG H H 7.873 0.012 1 1651 168 168 ARG HA H 3.890 0.003 1 1652 168 168 ARG HB2 H 1.891 0.003 1 1653 168 168 ARG HG3 H 1.681 0.000 1 1654 168 168 ARG C C 179.641 0.000 1 1655 168 168 ARG CA C 59.917 0.026 1 1656 168 168 ARG CB C 30.081 0.141 1 1657 168 168 ARG N N 118.345 0.035 1 1658 169 169 LYS H H 8.408 0.003 1 1659 169 169 LYS HA H 3.913 0.006 1 1660 169 169 LYS HB2 H 1.913 0.008 2 1661 169 169 LYS HB3 H 1.838 0.005 2 1662 169 169 LYS HG2 H 1.457 0.004 2 1663 169 169 LYS HG3 H 1.265 0.005 2 1664 169 169 LYS HD2 H 1.677 0.000 2 1665 169 169 LYS HD3 H 1.618 0.005 2 1666 169 169 LYS C C 178.284 0.000 1 1667 169 169 LYS CA C 60.048 0.154 1 1668 169 169 LYS CB C 32.673 0.055 1 1669 169 169 LYS N N 121.780 0.028 1 1670 170 170 LEU H H 8.162 0.004 1 1671 170 170 LEU HA H 4.008 0.001 1 1672 170 170 LEU HB2 H 2.107 0.000 2 1673 170 170 LEU HB3 H 1.894 0.008 2 1674 170 170 LEU HD1 H 0.740 0.002 1 1675 170 170 LEU HD2 H 0.665 0.004 1 1676 170 170 LEU C C 179.669 0.000 1 1677 170 170 LEU CA C 57.901 0.012 1 1678 170 170 LEU CB C 42.731 0.041 1 1679 170 170 LEU CD1 C 22.396 0.038 1 1680 170 170 LEU CD2 C 27.597 0.109 1 1681 170 170 LEU N N 118.583 0.025 1 1682 171 171 LYS H H 8.232 0.003 1 1683 171 171 LYS HA H 4.032 0.009 1 1684 171 171 LYS HB2 H 1.830 0.000 2 1685 171 171 LYS HB3 H 1.905 0.002 2 1686 171 171 LYS HG2 H 1.366 0.000 2 1687 171 171 LYS HG3 H 1.215 0.000 2 1688 171 171 LYS HD2 H 1.682 0.005 2 1689 171 171 LYS HD3 H 1.578 0.000 2 1690 171 171 LYS C C 181.362 0.000 1 1691 171 171 LYS CA C 60.117 0.138 1 1692 171 171 LYS CB C 32.594 0.036 1 1693 171 171 LYS N N 116.514 0.072 1 1694 172 172 THR H H 8.520 0.003 1 1695 172 172 THR HA H 3.943 0.007 1 1696 172 172 THR HB H 4.326 0.002 1 1697 172 172 THR HG2 H 1.277 0.004 1 1698 172 172 THR C C 176.138 0.000 1 1699 172 172 THR CA C 66.461 0.069 1 1700 172 172 THR CB C 68.984 0.053 1 1701 172 172 THR CG2 C 21.648 0.066 1 1702 172 172 THR N N 117.917 0.027 1 1703 173 173 GLU H H 8.157 0.003 1 1704 173 173 GLU HA H 4.174 0.006 1 1705 173 173 GLU HB2 H 1.998 0.001 2 1706 173 173 GLU HB3 H 2.100 0.004 2 1707 173 173 GLU HG2 H 2.292 0.003 2 1708 173 173 GLU HG3 H 2.420 0.001 2 1709 173 173 GLU C C 175.401 0.000 1 1710 173 173 GLU CA C 56.187 0.099 1 1711 173 173 GLU CB C 28.746 0.017 1 1712 173 173 GLU N N 119.005 0.037 1 1713 174 174 LYS H H 7.740 0.003 1 1714 174 174 LYS HA H 3.881 0.002 1 1715 174 174 LYS HB2 H 2.022 0.004 2 1716 174 174 LYS HB3 H 1.798 0.004 2 1717 174 174 LYS HG3 H 1.320 0.004 1 1718 174 174 LYS C C 175.835 0.000 1 1719 174 174 LYS CA C 56.816 0.010 1 1720 174 174 LYS CB C 28.519 0.033 1 1721 174 174 LYS N N 116.782 0.017 1 1722 175 175 ALA H H 7.951 0.007 1 1723 175 175 ALA HA H 4.388 0.002 1 1724 175 175 ALA HB H 1.291 0.009 1 1725 175 175 ALA CA C 51.311 0.073 1 1726 175 175 ALA CB C 18.456 0.092 1 1727 175 175 ALA N N 121.307 0.094 1 1728 176 176 PRO HA H 3.812 0.000 1 1729 176 176 PRO HB3 H 2.061 0.010 1 1730 176 176 PRO HG2 H 1.962 0.000 1 1731 176 176 PRO HD2 H 3.842 0.002 2 1732 176 176 PRO HD3 H 3.473 0.003 2 1733 176 176 PRO C C 177.588 0.000 1 1734 176 176 PRO CA C 63.028 0.024 1 1735 176 176 PRO CB C 32.811 0.075 1 1736 176 176 PRO CD C 50.228 0.098 1 1737 177 177 LYS H H 8.666 0.005 1 1738 177 177 LYS HA H 3.823 0.012 1 1739 177 177 LYS HB2 H 1.756 0.001 2 1740 177 177 LYS HB3 H 1.901 0.000 2 1741 177 177 LYS HG3 H 1.426 0.007 1 1742 177 177 LYS C C 177.352 0.000 1 1743 177 177 LYS CA C 59.807 0.078 1 1744 177 177 LYS CB C 32.799 0.094 1 1745 177 177 LYS N N 124.285 0.018 1 1746 178 178 ASP H H 8.764 0.002 1 1747 178 178 ASP HA H 4.319 0.009 1 1748 178 178 ASP HB2 H 2.561 0.006 2 1749 178 178 ASP HB3 H 2.671 0.004 2 1750 178 178 ASP C C 178.709 0.000 1 1751 178 178 ASP CA C 57.006 0.066 1 1752 178 178 ASP CB C 39.538 0.048 1 1753 178 178 ASP N N 115.033 0.022 1 1754 179 179 GLN H H 7.341 0.003 1 1755 179 179 GLN HA H 3.995 0.005 1 1756 179 179 GLN HB3 H 2.075 0.010 1 1757 179 179 GLN HG2 H 2.314 0.004 2 1758 179 179 GLN HG3 H 2.442 0.003 2 1759 179 179 GLN HE21 H 7.782 0.001 1 1760 179 179 GLN HE22 H 6.903 0.002 1 1761 179 179 GLN C C 179.436 0.000 1 1762 179 179 GLN CA C 58.376 0.061 1 1763 179 179 GLN CB C 28.750 0.013 1 1764 179 179 GLN CG C 33.964 0.080 1 1765 179 179 GLN N N 118.137 0.016 1 1766 179 179 GLN NE2 N 112.600 0.035 1 1767 180 180 VAL H H 7.739 0.009 1 1768 180 180 VAL HA H 3.385 0.002 1 1769 180 180 VAL HB H 2.136 0.004 1 1770 180 180 VAL HG1 H 0.891 0.009 1 1771 180 180 VAL HG2 H 0.829 0.003 1 1772 180 180 VAL CA C 67.335 0.038 1 1773 180 180 VAL CB C 31.940 0.152 1 1774 180 180 VAL CG1 C 22.122 0.072 1 1775 180 180 VAL CG2 C 22.921 0.100 1 1776 180 180 VAL N N 121.813 0.044 1 1777 181 181 ASP H H 8.893 0.003 1 1778 181 181 ASP HA H 4.292 0.006 1 1779 181 181 ASP HB2 H 2.546 0.008 2 1780 181 181 ASP HB3 H 2.724 0.003 2 1781 181 181 ASP C C 179.786 0.000 1 1782 181 181 ASP CA C 57.696 0.118 1 1783 181 181 ASP CB C 39.921 0.056 1 1784 181 181 ASP N N 118.698 0.035 1 1785 182 182 ILE H H 7.461 0.005 1 1786 182 182 ILE HA H 3.618 0.002 1 1787 182 182 ILE HB H 1.758 0.004 1 1788 182 182 ILE HG12 H 1.773 0.004 2 1789 182 182 ILE HG13 H 1.090 0.002 2 1790 182 182 ILE HG2 H 0.876 0.008 1 1791 182 182 ILE HD1 H 0.837 0.006 1 1792 182 182 ILE C C 177.654 0.000 1 1793 182 182 ILE CA C 65.155 0.073 1 1794 182 182 ILE CB C 38.793 0.105 1 1795 182 182 ILE CG1 C 29.728 0.091 1 1796 182 182 ILE CG2 C 17.110 0.056 1 1797 182 182 ILE CD1 C 13.496 0.119 1 1798 182 182 ILE N N 120.297 0.021 1 1799 183 183 ALA H H 7.404 0.004 1 1800 183 183 ALA HA H 4.089 0.004 1 1801 183 183 ALA HB H 1.402 0.005 1 1802 183 183 ALA C C 180.846 0.000 1 1803 183 183 ALA CA C 54.647 0.090 1 1804 183 183 ALA CB C 19.157 0.102 1 1805 183 183 ALA N N 123.283 0.015 1 1806 184 184 VAL H H 9.036 0.010 1 1807 184 184 VAL HA H 3.531 0.005 1 1808 184 184 VAL HB H 2.170 0.011 1 1809 184 184 VAL HG1 H 0.921 0.008 1 1810 184 184 VAL HG2 H 1.082 0.004 1 1811 184 184 VAL C C 177.608 0.000 1 1812 184 184 VAL CA C 66.677 0.006 1 1813 184 184 VAL CB C 32.125 0.092 1 1814 184 184 VAL CG1 C 21.109 0.026 1 1815 184 184 VAL CG2 C 24.148 0.034 1 1816 184 184 VAL N N 121.699 0.031 1 1817 185 185 GLN H H 8.170 0.005 1 1818 185 185 GLN HB2 H 1.938 0.004 2 1819 185 185 GLN HB3 H 1.788 0.001 2 1820 185 185 GLN HG3 H 2.146 0.000 1 1821 185 185 GLN C C 179.629 0.000 1 1822 185 185 GLN CA C 60.298 0.035 1 1823 185 185 GLN CB C 29.826 0.085 1 1824 185 185 GLN N N 121.056 0.063 1 1825 186 186 GLU H H 7.888 0.002 1 1826 186 186 GLU HA H 4.168 0.007 1 1827 186 186 GLU HB2 H 1.901 0.011 2 1828 186 186 GLU HB3 H 2.109 0.010 2 1829 186 186 GLU HG2 H 2.184 0.002 2 1830 186 186 GLU HG3 H 2.227 0.003 2 1831 186 186 GLU C C 178.705 0.000 1 1832 186 186 GLU CA C 58.947 0.112 1 1833 186 186 GLU CB C 29.313 0.144 1 1834 186 186 GLU CG C 35.305 0.159 1 1835 186 186 GLU N N 119.183 0.053 1 1836 187 187 LEU H H 7.958 0.005 1 1837 187 187 LEU HA H 3.890 0.002 1 1838 187 187 LEU HB2 H 1.363 0.011 2 1839 187 187 LEU HB3 H 2.455 0.006 2 1840 187 187 LEU HG H 1.352 0.001 1 1841 187 187 LEU HD1 H 0.731 0.008 1 1842 187 187 LEU HD2 H 0.945 0.007 1 1843 187 187 LEU C C 177.797 0.000 1 1844 187 187 LEU CA C 58.583 0.021 1 1845 187 187 LEU CB C 42.028 0.057 1 1846 187 187 LEU CG C 27.093 0.011 1 1847 187 187 LEU CD1 C 24.169 0.056 1 1848 187 187 LEU CD2 C 26.769 0.057 1 1849 187 187 LEU N N 120.802 0.035 1 1850 188 188 LEU H H 8.664 0.007 1 1851 188 188 LEU HA H 3.913 0.002 1 1852 188 188 LEU HB2 H 1.907 0.006 2 1853 188 188 LEU HB3 H 1.522 0.008 2 1854 188 188 LEU HG H 1.855 0.003 1 1855 188 188 LEU HD1 H 0.840 0.007 1 1856 188 188 LEU HD2 H 0.937 0.000 1 1857 188 188 LEU C C 180.705 0.000 1 1858 188 188 LEU CA C 58.252 0.134 1 1859 188 188 LEU CB C 41.145 0.048 1 1860 188 188 LEU CG C 26.876 0.000 1 1861 188 188 LEU CD1 C 22.902 0.037 1 1862 188 188 LEU CD2 C 25.152 0.128 1 1863 188 188 LEU N N 118.568 0.029 1 1864 189 189 GLN H H 8.083 0.004 1 1865 189 189 GLN HA H 4.161 0.009 1 1866 189 189 GLN HB2 H 2.239 0.005 2 1867 189 189 GLN HB3 H 2.136 0.003 2 1868 189 189 GLN HG2 H 2.530 0.005 2 1869 189 189 GLN HG3 H 2.402 0.012 2 1870 189 189 GLN C C 179.013 0.000 1 1871 189 189 GLN CA C 58.949 0.120 1 1872 189 189 GLN CB C 28.090 0.067 1 1873 189 189 GLN CG C 33.802 0.041 1 1874 189 189 GLN N N 120.944 0.016 1 1875 190 190 LEU H H 8.281 0.008 1 1876 190 190 LEU HA H 4.053 0.016 1 1877 190 190 LEU HB2 H 1.271 0.000 2 1878 190 190 LEU HB3 H 1.941 0.012 2 1879 190 190 LEU HG H 1.853 0.012 1 1880 190 190 LEU HD1 H 0.820 0.005 1 1881 190 190 LEU HD2 H 0.713 0.005 1 1882 190 190 LEU C C 179.478 0.000 1 1883 190 190 LEU CA C 58.061 0.005 1 1884 190 190 LEU CB C 43.003 0.000 1 1885 190 190 LEU CD1 C 22.790 0.205 1 1886 190 190 LEU CD2 C 26.651 0.089 1 1887 190 190 LEU N N 122.224 0.021 1 1888 191 191 LYS H H 8.634 0.006 1 1889 191 191 LYS HA H 3.751 0.003 1 1890 191 191 LYS HB2 H 1.887 0.005 2 1891 191 191 LYS HB3 H 1.989 0.005 2 1892 191 191 LYS HG3 H 1.359 0.000 1 1893 191 191 LYS HD2 H 1.631 0.000 2 1894 191 191 LYS HD3 H 1.534 0.000 2 1895 191 191 LYS C C 179.716 0.000 1 1896 191 191 LYS CA C 61.279 0.077 1 1897 191 191 LYS CB C 32.675 0.021 1 1898 191 191 LYS N N 118.639 0.040 1 1899 192 192 ALA H H 8.120 0.005 1 1900 192 192 ALA HA H 4.282 0.004 1 1901 192 192 ALA HB H 1.536 0.007 1 1902 192 192 ALA C C 180.782 0.000 1 1903 192 192 ALA CA C 55.149 0.019 1 1904 192 192 ALA CB C 17.748 0.115 1 1905 192 192 ALA N N 124.268 0.035 1 1906 193 193 GLN H H 8.323 0.004 1 1907 193 193 GLN HA H 4.031 0.011 1 1908 193 193 GLN HB2 H 2.167 0.005 2 1909 193 193 GLN HB3 H 2.324 0.003 2 1910 193 193 GLN HG2 H 2.598 0.007 2 1911 193 193 GLN HG3 H 2.323 0.003 2 1912 193 193 GLN HE21 H 7.425 0.001 1 1913 193 193 GLN HE22 H 6.734 0.002 1 1914 193 193 GLN C C 178.686 0.000 1 1915 193 193 GLN CA C 58.976 0.079 1 1916 193 193 GLN CB C 28.654 0.099 1 1917 193 193 GLN CG C 34.058 0.144 1 1918 193 193 GLN N N 121.158 0.029 1 1919 193 193 GLN NE2 N 110.286 0.044 1 1920 194 194 TYR H H 8.659 0.003 1 1921 194 194 TYR HA H 3.989 0.011 1 1922 194 194 TYR HB2 H 3.313 0.000 2 1923 194 194 TYR HB3 H 2.879 0.002 2 1924 194 194 TYR C C 176.274 0.000 1 1925 194 194 TYR CA C 62.515 0.040 1 1926 194 194 TYR CB C 38.755 0.084 1 1927 194 194 TYR N N 121.836 0.028 1 1928 195 195 LYS H H 8.221 0.003 1 1929 195 195 LYS HA H 4.175 0.021 1 1930 195 195 LYS HB3 H 1.955 0.007 1 1931 195 195 LYS HD3 H 1.557 0.003 1 1932 195 195 LYS C C 179.958 0.000 1 1933 195 195 LYS CA C 58.794 0.017 1 1934 195 195 LYS CB C 32.321 0.042 1 1935 195 195 LYS N N 119.504 0.022 1 1936 196 196 SER H H 8.117 0.003 1 1937 196 196 SER HA H 4.110 0.003 1 1938 196 196 SER HB3 H 3.907 0.002 1 1939 196 196 SER C C 175.533 0.000 1 1940 196 196 SER CA C 61.476 0.108 1 1941 196 196 SER CB C 63.054 0.024 1 1942 196 196 SER N N 113.913 0.028 1 1943 197 197 LEU H H 7.852 0.004 1 1944 197 197 LEU HA H 4.200 0.003 1 1945 197 197 LEU HB3 H 1.574 0.003 1 1946 197 197 LEU HG H 1.540 0.000 1 1947 197 197 LEU HD1 H 0.850 0.004 1 1948 197 197 LEU HD2 H 0.757 0.007 1 1949 197 197 LEU C C 176.137 0.000 1 1950 197 197 LEU CA C 57.290 0.001 1 1951 197 197 LEU CB C 42.611 0.110 1 1952 197 197 LEU CG C 26.959 0.000 1 1953 197 197 LEU CD1 C 23.870 0.060 1 1954 197 197 LEU CD2 C 24.623 0.097 1 1955 197 197 LEU N N 120.512 0.018 1 1956 198 198 ILE H H 8.220 0.007 1 1957 198 198 ILE HA H 4.069 0.007 1 1958 198 198 ILE HB H 1.677 0.005 1 1959 198 198 ILE HG12 H 0.831 0.008 2 1960 198 198 ILE HG13 H 1.028 0.009 2 1961 198 198 ILE HG2 H 0.759 0.004 1 1962 198 198 ILE HD1 H 0.500 0.004 1 1963 198 198 ILE C C 177.636 0.000 1 1964 198 198 ILE CA C 60.895 0.121 1 1965 198 198 ILE CB C 37.859 0.107 1 1966 198 198 ILE CG1 C 27.738 0.105 1 1967 198 198 ILE CG2 C 18.411 0.100 1 1968 198 198 ILE CD1 C 11.905 0.156 1 1969 198 198 ILE N N 115.708 0.126 1 1970 199 199 GLY H H 7.942 0.003 1 1971 199 199 GLY HA2 H 3.793 0.009 2 1972 199 199 GLY HA3 H 4.236 0.003 2 1973 199 199 GLY C C 173.833 0.000 1 1974 199 199 GLY CA C 45.455 0.032 1 1975 199 199 GLY N N 108.382 0.026 1 1976 200 200 VAL H H 7.237 0.003 1 1977 200 200 VAL HA H 4.422 0.002 1 1978 200 200 VAL HB H 2.142 0.004 1 1979 200 200 VAL HG1 H 0.841 0.001 1 1980 200 200 VAL HG2 H 0.951 0.027 1 1981 200 200 VAL C C 173.852 0.000 1 1982 200 200 VAL CA C 59.291 0.049 1 1983 200 200 VAL CB C 35.278 0.093 1 1984 200 200 VAL CG1 C 19.394 0.097 1 1985 200 200 VAL CG2 C 21.460 0.104 1 1986 200 200 VAL N N 114.148 0.040 1 1987 201 201 GLU H H 8.319 0.004 1 1988 201 201 GLU HA H 4.351 0.013 1 1989 201 201 GLU HB2 H 1.888 0.002 2 1990 201 201 GLU HB3 H 1.993 0.004 2 1991 201 201 GLU HG2 H 2.274 0.000 2 1992 201 201 GLU HG3 H 2.359 0.012 2 1993 201 201 GLU CA C 56.019 0.139 1 1994 201 201 GLU CB C 30.383 0.175 1 1995 201 201 GLU N N 119.309 0.083 1 1996 202 202 TYR H H 9.131 0.005 1 1997 202 202 TYR HA H 3.812 0.004 1 1998 202 202 TYR HB2 H 2.548 0.005 2 1999 202 202 TYR HB3 H 2.260 0.004 2 2000 202 202 TYR C C 174.303 0.000 1 2001 202 202 TYR CA C 59.879 0.062 1 2002 202 202 TYR CB C 38.319 0.122 1 2003 202 202 TYR N N 124.783 0.024 1 2004 203 203 LYS H H 7.210 0.003 1 2005 203 203 LYS HA H 4.414 0.004 1 2006 203 203 LYS HB2 H 1.524 0.007 2 2007 203 203 LYS HB3 H 1.629 0.001 2 2008 203 203 LYS HG3 H 1.288 0.000 1 2009 203 203 LYS CA C 52.818 0.057 1 2010 203 203 LYS CB C 34.238 0.000 1 2011 203 203 LYS N N 129.539 0.026 1 2012 204 204 PRO HA H 4.192 0.001 1 2013 204 204 PRO HB3 H 2.230 0.002 1 2014 204 204 PRO HG2 H 1.913 0.003 1 2015 204 204 PRO HD2 H 3.385 0.004 2 2016 204 204 PRO HD3 H 3.521 0.003 2 2017 204 204 PRO C C 176.884 0.000 1 2018 204 204 PRO CA C 62.221 0.046 1 2019 204 204 PRO CB C 32.229 0.000 1 2020 204 204 PRO CG C 27.045 0.021 1 2021 204 204 PRO CD C 50.429 0.054 1 2022 205 205 VAL H H 8.399 0.002 1 2023 205 205 VAL HA H 4.020 0.003 1 2024 205 205 VAL HB H 2.049 0.002 1 2025 205 205 VAL HG2 H 0.966 0.010 1 2026 205 205 VAL CA C 62.661 0.071 1 2027 205 205 VAL CB C 32.680 0.067 1 2028 205 205 VAL CG1 C 20.776 0.090 1 2029 205 205 VAL N N 119.628 0.021 1 2030 206 206 SER H H 8.372 0.003 1 2031 206 206 SER HA H 4.416 0.004 1 2032 206 206 SER HB3 H 3.800 0.002 1 2033 206 206 SER C C 174.005 0.000 1 2034 206 206 SER CA C 57.960 0.010 1 2035 206 206 SER CB C 63.798 0.069 1 2036 206 206 SER N N 119.172 0.054 1 2037 207 207 ALA H H 8.516 0.004 1 2038 207 207 ALA HA H 4.358 0.003 1 2039 207 207 ALA HB H 1.376 0.001 1 2040 207 207 ALA C C 177.082 0.000 1 2041 207 207 ALA CA C 52.699 0.046 1 2042 207 207 ALA CB C 19.410 0.028 1 2043 207 207 ALA N N 127.440 0.021 1 2044 208 208 THR H H 7.801 0.002 1 2045 208 208 THR HA H 4.081 0.000 1 2046 208 208 THR HB H 4.186 0.000 1 2047 208 208 THR HG2 H 1.106 0.003 1 2048 208 208 THR CA C 63.081 0.000 1 2049 208 208 THR CB C 70.736 0.000 1 2050 208 208 THR CG2 C 21.940 0.069 1 2051 208 208 THR N N 118.214 0.026 1 stop_ save_