data_17398 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; A protein from yeast ; _BMRB_accession_number 17398 _BMRB_flat_file_name bmr17398.str _Entry_type original _Submission_date 2011-01-07 _Accession_date 2011-01-07 _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 Qiu Yu . . 2 Zhang Jiahai . . 3 Zhang Wen . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 589 "13C chemical shifts" 379 "15N chemical shifts" 105 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-08-21 update BMRB 'update entry citation' 2011-12-20 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the Pdp1 PWWP domain reveals its unique binding sites for methylated H4K20 and DNA.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22150589 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Qiu Yu . . 2 Zhang Wen . . 3 Zhao Chen . . 4 Wang Yan . . 5 Wang Weiwei . . 6 Zhang Jiahai . . 7 Zhang Zhiyong . . 8 Li Guohong . . 9 Shi Yunyu . . 10 Tu Xiaoming . . 11 Wu Jihui . . stop_ _Journal_abbreviation 'Biochem. J.' _Journal_name_full 'The Biochemical journal' _Journal_volume 442 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 527 _Page_last 538 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'A protein from fission yeast' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'A protein from fission yeast' $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'A protein from fission yeast' _Molecular_mass 24872.488 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 216 _Mol_residue_sequence ; SADDRLNFGDRILVKAPGYP WWPALLLRRKETKDSLNTNS SFNVLYKVLFFPDFNFAWVK RNSVKPLLDSEIAKFLGSSK RKSKELIEAYEASKTPPDLK EESSTDLESADDRLNFGDRI LVKAPGYPWWPALLLRRKET KDSLNTNSSFNVLYKVLFFP DFNFAWVKRNSVKPLLDSEI AKFLGSSKRKSKELIEAYEA SKTPPDLKEESSTDLE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 45 SER 2 46 ALA 3 47 ASP 4 48 ASP 5 49 ARG 6 50 LEU 7 51 ASN 8 52 PHE 9 53 GLY 10 54 ASP 11 55 ARG 12 56 ILE 13 57 LEU 14 58 VAL 15 59 LYS 16 60 ALA 17 61 PRO 18 62 GLY 19 63 TYR 20 64 PRO 21 65 TRP 22 66 TRP 23 67 PRO 24 68 ALA 25 69 LEU 26 70 LEU 27 71 LEU 28 72 ARG 29 73 ARG 30 74 LYS 31 75 GLU 32 76 THR 33 77 LYS 34 78 ASP 35 79 SER 36 80 LEU 37 81 ASN 38 82 THR 39 83 ASN 40 84 SER 41 85 SER 42 86 PHE 43 87 ASN 44 88 VAL 45 89 LEU 46 90 TYR 47 91 LYS 48 92 VAL 49 93 LEU 50 94 PHE 51 95 PHE 52 96 PRO 53 97 ASP 54 98 PHE 55 99 ASN 56 100 PHE 57 101 ALA 58 102 TRP 59 103 VAL 60 104 LYS 61 105 ARG 62 106 ASN 63 107 SER 64 108 VAL 65 109 LYS 66 110 PRO 67 111 LEU 68 112 LEU 69 113 ASP 70 114 SER 71 115 GLU 72 116 ILE 73 117 ALA 74 118 LYS 75 119 PHE 76 120 LEU 77 121 GLY 78 122 SER 79 123 SER 80 124 LYS 81 125 ARG 82 126 LYS 83 127 SER 84 128 LYS 85 129 GLU 86 130 LEU 87 131 ILE 88 132 GLU 89 133 ALA 90 134 TYR 91 135 GLU 92 136 ALA 93 137 SER 94 138 LYS 95 139 THR 96 140 PRO 97 141 PRO 98 142 ASP 99 143 LEU 100 144 LYS 101 145 GLU 102 146 GLU 103 147 SER 104 148 SER 105 149 THR 106 150 ASP 107 151 LEU 108 152 GLU 109 153 SER 110 154 ALA 111 155 ASP 112 156 ASP 113 157 ARG 114 158 LEU 115 159 ASN 116 160 PHE 117 161 GLY 118 162 ASP 119 163 ARG 120 164 ILE 121 165 LEU 122 166 VAL 123 167 LYS 124 168 ALA 125 169 PRO 126 170 GLY 127 171 TYR 128 172 PRO 129 173 TRP 130 174 TRP 131 175 PRO 132 176 ALA 133 177 LEU 134 178 LEU 135 179 LEU 136 180 ARG 137 181 ARG 138 182 LYS 139 183 GLU 140 184 THR 141 185 LYS 142 186 ASP 143 187 SER 144 188 LEU 145 189 ASN 146 190 THR 147 191 ASN 148 192 SER 149 193 SER 150 194 PHE 151 195 ASN 152 196 VAL 153 197 LEU 154 198 TYR 155 199 LYS 156 200 VAL 157 201 LEU 158 202 PHE 159 203 PHE 160 204 PRO 161 205 ASP 162 206 PHE 163 207 ASN 164 208 PHE 165 209 ALA 166 210 TRP 167 211 VAL 168 212 LYS 169 213 ARG 170 214 ASN 171 215 SER 172 216 VAL 173 217 LYS 174 218 PRO 175 219 LEU 176 220 LEU 177 221 ASP 178 222 SER 179 223 GLU 180 224 ILE 181 225 ALA 182 226 LYS 183 227 PHE 184 228 LEU 185 229 GLY 186 230 SER 187 231 SER 188 232 LYS 189 233 ARG 190 234 LYS 191 235 SER 192 236 LYS 193 237 GLU 194 238 LEU 195 239 ILE 196 240 GLU 197 241 ALA 198 242 TYR 199 243 GLU 200 244 ALA 201 245 SER 202 246 LYS 203 247 THR 204 248 PRO 205 249 PRO 206 250 ASP 207 251 LEU 208 252 LYS 209 253 GLU 210 254 GLU 211 255 SER 212 256 SER 213 257 THR 214 258 ASP 215 259 LEU 216 260 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2L89 "Solution Structure Of Pdp1 Pwwp Domain Reveals Its Unique Binding Sites For Methylated H4k20 And Dna" 50.00 108 100.00 100.00 2.70e-67 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'fission yeast' 4896 Eukaryota Fungi Schizosaccharomyces pombe 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 $entity 'recombinant technology' . Escherichia coli . pET22b 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 $entity 0.6 mM . 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' EDTA 2 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.6 mM . 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' EDTA 2 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(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_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.140 . M pH 4.8 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D HN(CO)CA' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D HCCH-COSY' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'A protein from fission yeast' _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 45 1 SER HA H 4.190 0.006 1 2 45 1 SER HB2 H 4.043 0.004 2 3 45 1 SER HB3 H 4.043 0.004 2 4 45 1 SER C C 171.160 0.000 1 5 45 1 SER CA C 57.311 0.120 1 6 45 1 SER CB C 63.043 0.068 1 7 46 2 ALA H H 8.859 0.006 1 8 46 2 ALA HA H 4.333 0.010 1 9 46 2 ALA HB H 1.416 0.009 1 10 46 2 ALA C C 177.444 0.000 1 11 46 2 ALA CA C 53.231 0.087 1 12 46 2 ALA CB C 18.888 0.018 1 13 46 2 ALA N N 124.632 0.015 1 14 47 3 ASP H H 8.331 0.007 1 15 47 3 ASP HA H 4.554 0.004 1 16 47 3 ASP HB2 H 2.596 0.001 2 17 47 3 ASP HB3 H 2.706 0.004 2 18 47 3 ASP C C 175.942 0.000 1 19 47 3 ASP CA C 54.258 0.037 1 20 47 3 ASP CB C 40.810 0.041 1 21 47 3 ASP N N 118.117 0.066 1 22 48 4 ASP H H 8.025 0.006 1 23 48 4 ASP HA H 4.534 0.006 1 24 48 4 ASP HB2 H 2.665 0.007 2 25 48 4 ASP HB3 H 2.665 0.007 2 26 48 4 ASP C C 174.808 0.000 1 27 48 4 ASP CA C 54.449 0.100 1 28 48 4 ASP CB C 40.827 0.101 1 29 48 4 ASP N N 120.189 0.060 1 30 49 5 ARG H H 8.205 0.008 1 31 49 5 ARG HA H 4.239 0.009 1 32 49 5 ARG HB2 H 1.835 0.003 2 33 49 5 ARG HB3 H 1.835 0.003 2 34 49 5 ARG HG2 H 1.589 0.002 2 35 49 5 ARG HG3 H 1.589 0.002 2 36 49 5 ARG HD2 H 3.184 0.003 2 37 49 5 ARG HD3 H 3.184 0.003 2 38 49 5 ARG C C 175.447 0.000 1 39 49 5 ARG CA C 56.275 0.087 1 40 49 5 ARG CB C 30.218 0.090 1 41 49 5 ARG CG C 27.104 0.071 1 42 49 5 ARG CD C 43.232 0.018 1 43 49 5 ARG N N 120.044 0.042 1 44 50 6 LEU H H 7.831 0.005 1 45 50 6 LEU HA H 4.408 0.004 1 46 50 6 LEU HB2 H 1.476 0.005 2 47 50 6 LEU HB3 H 1.093 0.011 2 48 50 6 LEU HG H 0.535 0.004 1 49 50 6 LEU HD1 H 0.642 0.009 . 50 50 6 LEU C C 175.698 0.000 1 51 50 6 LEU CA C 54.099 0.089 1 52 50 6 LEU CB C 43.388 0.100 1 53 50 6 LEU CD1 C 23.391 0.050 2 54 50 6 LEU CD2 C 25.795 0.038 2 55 50 6 LEU N N 121.986 0.062 1 56 51 7 ASN H H 8.890 0.009 1 57 51 7 ASN HA H 4.870 0.010 1 58 51 7 ASN HB2 H 2.675 0.008 2 59 51 7 ASN HB3 H 2.675 0.008 2 60 51 7 ASN HD21 H 6.867 0.009 2 61 51 7 ASN HD22 H 7.965 0.004 2 62 51 7 ASN C C 173.757 0.000 1 63 51 7 ASN CA C 51.636 0.073 1 64 51 7 ASN CB C 42.214 0.089 1 65 51 7 ASN N N 121.456 0.072 1 66 51 7 ASN ND2 N 115.734 0.053 1 67 52 8 PHE H H 8.399 0.004 1 68 52 8 PHE HA H 4.009 0.007 1 69 52 8 PHE HB2 H 2.872 0.006 2 70 52 8 PHE HB3 H 3.133 0.009 2 71 52 8 PHE HD1 H 7.197 0.005 3 72 52 8 PHE HD2 H 7.197 0.005 3 73 52 8 PHE HE1 H 7.177 0.009 3 74 52 8 PHE HE2 H 7.177 0.009 3 75 52 8 PHE HZ H 6.997 0.006 . 76 52 8 PHE C C 176.462 0.000 1 77 52 8 PHE CA C 59.445 0.082 1 78 52 8 PHE CB C 38.719 0.055 1 79 52 8 PHE N N 120.422 0.045 1 80 53 9 GLY H H 9.139 0.006 1 81 53 9 GLY HA2 H 3.052 0.016 2 82 53 9 GLY HA3 H 4.047 0.009 2 83 53 9 GLY C C 173.268 0.000 1 84 53 9 GLY CA C 44.660 0.082 1 85 53 9 GLY N N 116.343 0.084 1 86 54 10 ASP H H 8.038 0.007 1 87 54 10 ASP HA H 4.544 0.004 1 88 54 10 ASP HB2 H 2.536 0.001 2 89 54 10 ASP HB3 H 2.717 0.004 2 90 54 10 ASP C C 175.311 0.000 1 91 54 10 ASP CA C 54.699 0.105 1 92 54 10 ASP CB C 40.862 0.098 1 93 54 10 ASP N N 120.070 0.076 1 94 55 11 ARG H H 8.518 0.006 1 95 55 11 ARG HA H 5.017 0.005 1 96 55 11 ARG HB2 H 1.881 0.000 2 97 55 11 ARG HB3 H 2.057 0.007 2 98 55 11 ARG C C 175.917 0.000 1 99 55 11 ARG CA C 56.318 0.080 1 100 55 11 ARG CB C 30.947 0.133 1 101 55 11 ARG N N 121.160 0.084 1 102 56 12 ILE H H 8.972 0.006 1 103 56 12 ILE HA H 5.002 0.009 1 104 56 12 ILE HB H 1.953 0.009 1 105 56 12 ILE HG12 H 0.863 0.000 . 106 56 12 ILE HG13 H 0.863 0.000 . 107 56 12 ILE HG2 H 0.610 0.005 . 108 56 12 ILE HD1 H 0.466 0.009 . 109 56 12 ILE C C 173.977 0.000 1 110 56 12 ILE CA C 60.115 0.131 1 111 56 12 ILE CB C 43.192 0.148 1 112 56 12 ILE CG2 C 18.848 0.040 1 113 56 12 ILE CD1 C 14.880 0.027 1 114 56 12 ILE N N 121.381 0.065 1 115 57 13 LEU H H 9.275 0.006 1 116 57 13 LEU HA H 5.005 0.012 1 117 57 13 LEU HB2 H 1.466 0.003 2 118 57 13 LEU HB3 H 1.466 0.003 2 119 57 13 LEU C C 176.687 0.000 1 120 57 13 LEU CA C 53.530 0.097 1 121 57 13 LEU CB C 46.818 0.120 1 122 57 13 LEU CG C 25.401 0.089 1 123 57 13 LEU CD1 C 23.398 0.044 2 124 57 13 LEU CD2 C 23.505 0.048 2 125 57 13 LEU N N 119.485 0.032 1 126 58 14 VAL H H 9.221 0.006 1 127 58 14 VAL HA H 5.469 0.014 1 128 58 14 VAL HB H 2.058 0.005 1 129 58 14 VAL HG1 H 0.794 0.009 . 130 58 14 VAL HG2 H 0.910 0.007 . 131 58 14 VAL C C 175.567 0.000 1 132 58 14 VAL CA C 59.806 0.105 1 133 58 14 VAL CB C 36.027 0.079 1 134 58 14 VAL CG1 C 23.673 0.038 2 135 58 14 VAL CG2 C 22.350 0.048 2 136 58 14 VAL N N 120.085 0.074 1 137 59 15 LYS H H 8.700 0.006 1 138 59 15 LYS HA H 4.143 0.019 1 139 59 15 LYS HB2 H 1.016 0.011 2 140 59 15 LYS HB3 H 1.016 0.011 2 141 59 15 LYS HG2 H 0.907 0.000 2 142 59 15 LYS HG3 H 0.907 0.000 2 143 59 15 LYS HD2 H 1.827 0.003 2 144 59 15 LYS HD3 H 1.827 0.003 2 145 59 15 LYS C C 173.145 0.000 1 146 59 15 LYS CA C 53.208 0.140 1 147 59 15 LYS CB C 31.223 0.093 1 148 59 15 LYS N N 132.853 0.048 1 149 60 16 ALA H H 8.899 0.005 1 150 60 16 ALA CA C 48.733 0.045 1 151 60 16 ALA CB C 19.382 0.034 1 152 60 16 ALA N N 133.244 0.098 1 153 61 17 PRO HA H 4.230 0.010 1 154 61 17 PRO HB2 H 2.256 0.014 2 155 61 17 PRO HB3 H 1.869 0.012 2 156 61 17 PRO HG2 H 1.939 0.000 2 157 61 17 PRO HG3 H 1.939 0.000 2 158 61 17 PRO HD3 H 3.846 0.002 2 159 61 17 PRO C C 177.930 0.000 1 160 61 17 PRO CA C 64.179 0.091 1 161 61 17 PRO CB C 31.481 0.134 1 162 62 18 GLY H H 8.617 0.007 1 163 62 18 GLY HA2 H 3.477 0.003 2 164 62 18 GLY HA3 H 3.904 0.004 2 165 62 18 GLY C C 173.473 0.000 1 166 62 18 GLY CA C 45.006 0.068 1 167 62 18 GLY N N 111.325 0.063 1 168 63 19 TYR H H 7.904 0.005 1 169 63 19 TYR HA H 4.943 0.006 1 170 63 19 TYR HB2 H 2.616 0.010 2 171 63 19 TYR HB3 H 3.115 0.012 2 172 63 19 TYR HD1 H 6.817 0.007 3 173 63 19 TYR HD2 H 6.817 0.007 3 174 63 19 TYR HE1 H 6.583 0.030 3 175 63 19 TYR HE2 H 6.583 0.030 3 176 63 19 TYR CA C 56.343 0.103 1 177 63 19 TYR CB C 41.048 0.106 1 178 63 19 TYR N N 119.057 0.040 1 179 64 20 PRO HA H 4.830 0.009 1 180 64 20 PRO HB2 H 2.575 0.012 2 181 64 20 PRO HB3 H 2.265 0.006 2 182 64 20 PRO HG2 H 2.420 0.013 2 183 64 20 PRO HG3 H 2.420 0.013 2 184 64 20 PRO HD2 H 4.093 0.017 2 185 64 20 PRO HD3 H 4.093 0.017 2 186 64 20 PRO C C 174.473 0.000 1 187 64 20 PRO CA C 61.935 0.051 1 188 64 20 PRO CB C 32.587 0.094 1 189 64 20 PRO CG C 27.836 0.061 1 190 65 21 TRP H H 8.113 0.004 1 191 65 21 TRP HA H 4.112 0.006 1 192 65 21 TRP HB2 H 3.075 0.008 2 193 65 21 TRP HB3 H 3.232 0.012 2 194 65 21 TRP HD1 H 7.632 0.009 1 195 65 21 TRP HE1 H 10.319 0.006 1 196 65 21 TRP HE3 H 8.033 0.003 1 197 65 21 TRP HZ3 H 7.072 0.006 1 198 65 21 TRP HH2 H 6.975 0.009 1 199 65 21 TRP C C 176.159 0.000 1 200 65 21 TRP CA C 59.950 0.076 1 201 65 21 TRP CB C 28.982 0.169 1 202 65 21 TRP N N 119.984 0.042 1 203 65 21 TRP NE1 N 129.703 0.025 . 204 66 22 TRP H H 9.265 0.006 1 205 66 22 TRP HA H 4.841 0.013 1 206 66 22 TRP HB2 H 3.440 0.020 2 207 66 22 TRP HB3 H 3.440 0.020 2 208 66 22 TRP HD1 H 7.028 0.012 1 209 66 22 TRP HE1 H 10.572 0.005 1 210 66 22 TRP HE3 H 7.477 0.002 1 211 66 22 TRP HZ2 H 7.240 0.011 1 212 66 22 TRP HZ3 H 6.937 0.000 1 213 66 22 TRP HH2 H 7.307 0.009 1 214 66 22 TRP CA C 55.578 0.113 1 215 66 22 TRP CB C 33.340 0.108 1 216 66 22 TRP N N 126.771 0.097 1 217 66 22 TRP NE1 N 130.249 0.042 1 218 67 23 PRO HA H 4.805 0.007 1 219 67 23 PRO HB2 H 1.607 0.008 2 220 67 23 PRO HB3 H 1.607 0.008 2 221 67 23 PRO HD2 H 3.099 0.014 2 222 67 23 PRO HD3 H 3.099 0.014 2 223 67 23 PRO C C 175.798 0.000 1 224 67 23 PRO CA C 63.846 0.097 1 225 67 23 PRO CB C 33.048 0.164 1 226 68 24 ALA H H 9.805 0.004 1 227 68 24 ALA HA H 5.199 0.005 1 228 68 24 ALA HB H 1.027 0.005 1 229 68 24 ALA C C 175.180 0.000 1 230 68 24 ALA CA C 51.709 0.065 1 231 68 24 ALA CB C 23.978 0.037 1 232 68 24 ALA N N 127.911 0.031 1 233 69 25 LEU H H 8.705 0.005 1 234 69 25 LEU HA H 5.153 0.006 1 235 69 25 LEU HB2 H 1.054 0.005 2 236 69 25 LEU HB3 H 1.226 0.010 2 237 69 25 LEU HD1 H 0.897 0.009 . 238 69 25 LEU HD2 H 0.613 0.007 . 239 69 25 LEU C C 176.109 0.000 1 240 69 25 LEU CA C 52.830 0.095 1 241 69 25 LEU CB C 46.648 0.168 1 242 69 25 LEU CG C 26.224 0.091 1 243 69 25 LEU CD1 C 24.126 0.076 2 244 69 25 LEU CD2 C 25.996 0.070 2 245 69 25 LEU N N 118.143 0.073 1 246 70 26 LEU H H 8.431 0.005 1 247 70 26 LEU HA H 4.043 0.009 1 248 70 26 LEU HB2 H 1.129 0.008 2 249 70 26 LEU HB3 H 2.068 0.010 2 250 70 26 LEU HG H 0.801 0.000 1 251 70 26 LEU HD1 H 0.581 0.008 . 252 70 26 LEU C C 175.021 0.000 1 253 70 26 LEU CA C 55.216 0.076 1 254 70 26 LEU CB C 42.538 0.074 1 255 70 26 LEU CG C 25.414 0.000 1 256 70 26 LEU CD1 C 25.718 0.032 2 257 70 26 LEU CD2 C 22.088 0.022 2 258 70 26 LEU N N 123.774 0.062 1 259 71 27 LEU H H 8.728 0.006 1 260 71 27 LEU HA H 4.598 0.009 1 261 71 27 LEU HB2 H 1.224 0.011 2 262 71 27 LEU HB3 H 1.441 0.006 2 263 71 27 LEU HG H 1.285 0.000 1 264 71 27 LEU C C 175.408 0.000 1 265 71 27 LEU CA C 54.794 0.149 1 266 71 27 LEU CB C 43.101 0.074 1 267 71 27 LEU CG C 24.958 0.000 1 268 71 27 LEU N N 126.931 0.029 1 269 72 28 ARG H H 7.287 0.005 1 270 72 28 ARG HA H 4.555 0.008 1 271 72 28 ARG HB2 H 1.753 0.007 2 272 72 28 ARG HB3 H 1.851 0.006 2 273 72 28 ARG HG2 H 1.542 0.000 2 274 72 28 ARG HG3 H 1.542 0.000 2 275 72 28 ARG HD2 H 3.205 0.009 2 276 72 28 ARG HD3 H 3.205 0.009 2 277 72 28 ARG C C 173.826 0.000 1 278 72 28 ARG CA C 55.131 0.077 1 279 72 28 ARG CB C 33.419 0.057 1 280 72 28 ARG N N 113.851 0.031 1 281 73 29 ARG H H 8.516 0.009 1 282 73 29 ARG HA H 5.075 0.018 1 283 73 29 ARG HB2 H 1.529 0.005 2 284 73 29 ARG HB3 H 1.663 0.008 2 285 73 29 ARG HG3 H 1.357 0.007 2 286 73 29 ARG HD2 H 3.136 0.006 2 287 73 29 ARG HD3 H 3.136 0.006 2 288 73 29 ARG C C 175.348 0.000 1 289 73 29 ARG CA C 54.637 0.088 1 290 73 29 ARG CB C 33.309 0.117 1 291 73 29 ARG CG C 26.963 0.064 1 292 73 29 ARG CD C 43.568 0.104 1 293 73 29 ARG N N 121.410 0.066 1 294 74 30 LYS H H 9.230 0.008 1 295 74 30 LYS HA H 4.572 0.014 1 296 74 30 LYS HB2 H 1.641 0.007 2 297 74 30 LYS HB3 H 1.641 0.007 2 298 74 30 LYS HG2 H 1.100 0.008 2 299 74 30 LYS HG3 H 1.127 0.003 2 300 74 30 LYS C C 174.472 0.000 1 301 74 30 LYS CA C 55.893 0.104 1 302 74 30 LYS CB C 35.906 0.079 1 303 74 30 LYS CG C 24.529 0.053 1 304 74 30 LYS N N 125.548 0.034 1 305 75 31 GLU H H 8.687 0.009 1 306 75 31 GLU HA H 4.856 0.013 1 307 75 31 GLU HB2 H 1.889 0.012 2 308 75 31 GLU HB3 H 1.889 0.012 2 309 75 31 GLU HG2 H 2.188 0.007 2 310 75 31 GLU HG3 H 2.188 0.007 2 311 75 31 GLU C C 176.175 0.000 1 312 75 31 GLU CA C 55.315 0.094 1 313 75 31 GLU CB C 30.764 0.092 1 314 75 31 GLU CG C 35.721 0.069 1 315 75 31 GLU N N 125.024 0.051 1 316 76 32 THR H H 8.516 0.005 1 317 76 32 THR HA H 4.483 0.007 1 318 76 32 THR HB H 4.108 0.006 1 319 76 32 THR HG2 H 1.069 0.004 . 320 76 32 THR C C 173.831 0.000 1 321 76 32 THR CA C 60.742 0.103 1 322 76 32 THR CB C 70.426 0.067 1 323 76 32 THR CG2 C 21.444 0.049 1 324 76 32 THR N N 116.845 0.064 1 325 77 33 LYS H H 8.508 0.006 1 326 77 33 LYS HA H 4.327 0.006 1 327 77 33 LYS HB2 H 1.662 0.009 2 328 77 33 LYS HB3 H 1.769 0.008 2 329 77 33 LYS HG2 H 1.302 0.004 2 330 77 33 LYS HG3 H 1.302 0.004 2 331 77 33 LYS HD2 H 1.577 0.011 2 332 77 33 LYS HD3 H 1.577 0.011 2 333 77 33 LYS HE2 H 2.875 0.003 2 334 77 33 LYS HE3 H 2.875 0.003 2 335 77 33 LYS C C 176.252 0.000 1 336 77 33 LYS CA C 56.336 0.087 1 337 77 33 LYS CB C 33.083 0.144 1 338 77 33 LYS CG C 24.706 0.033 1 339 77 33 LYS CD C 28.939 0.086 1 340 77 33 LYS N N 123.577 0.020 1 341 78 34 ASP H H 8.354 0.007 1 342 78 34 ASP HA H 4.596 0.006 1 343 78 34 ASP HB2 H 2.663 0.005 2 344 78 34 ASP HB3 H 2.663 0.005 2 345 78 34 ASP C C 176.341 0.000 1 346 78 34 ASP CA C 54.175 0.077 1 347 78 34 ASP CB C 41.433 0.040 1 348 78 34 ASP N N 121.901 0.043 1 349 79 35 SER H H 8.272 0.004 1 350 79 35 SER HA H 4.340 0.007 1 351 79 35 SER HB2 H 3.858 0.008 2 352 79 35 SER HB3 H 3.858 0.008 2 353 79 35 SER C C 174.660 0.000 1 354 79 35 SER CA C 58.923 0.102 1 355 79 35 SER CB C 63.670 0.116 1 356 79 35 SER N N 116.317 0.055 1 357 80 36 LEU H H 8.239 0.006 1 358 80 36 LEU HA H 4.318 0.008 1 359 80 36 LEU HB2 H 1.582 0.007 2 360 80 36 LEU HB3 H 1.682 0.006 2 361 80 36 LEU HD1 H 0.859 0.010 . 362 80 36 LEU C C 177.332 0.000 1 363 80 36 LEU CA C 55.442 0.090 1 364 80 36 LEU CB C 42.056 0.075 1 365 80 36 LEU CG C 27.078 0.000 1 366 80 36 LEU CD1 C 24.852 0.047 2 367 80 36 LEU CD2 C 23.299 0.053 2 368 80 36 LEU N N 122.253 0.033 1 369 81 37 ASN H H 8.177 0.008 1 370 81 37 ASN HA H 4.708 0.005 1 371 81 37 ASN HB2 H 2.729 0.007 2 372 81 37 ASN HB3 H 2.874 0.004 2 373 81 37 ASN HD21 H 6.912 0.010 2 374 81 37 ASN HD22 H 7.672 0.007 2 375 81 37 ASN C C 175.559 0.000 1 376 81 37 ASN CA C 53.283 0.109 1 377 81 37 ASN CB C 38.738 0.080 1 378 81 37 ASN N N 118.101 0.034 1 379 81 37 ASN ND2 N 113.106 0.093 1 380 82 38 THR H H 8.187 0.006 1 381 82 38 THR HA H 4.502 0.003 1 382 82 38 THR HB H 4.263 0.012 1 383 82 38 THR HG2 H 1.188 0.010 . 384 82 38 THR C C 174.796 0.000 1 385 82 38 THR CA C 62.530 0.138 1 386 82 38 THR CB C 69.480 0.112 1 387 82 38 THR CG2 C 21.545 0.079 . 388 82 38 THR N N 113.818 0.030 1 389 83 39 ASN H H 8.448 0.006 1 390 83 39 ASN HA H 4.731 0.005 1 391 83 39 ASN HB2 H 2.825 0.009 2 392 83 39 ASN HB3 H 2.825 0.009 2 393 83 39 ASN HD21 H 6.928 0.007 2 394 83 39 ASN HD22 H 7.617 0.007 2 395 83 39 ASN C C 175.302 0.000 1 396 83 39 ASN CA C 53.411 0.088 1 397 83 39 ASN CB C 38.586 0.073 1 398 83 39 ASN N N 119.960 0.035 1 399 83 39 ASN ND2 N 113.007 0.064 1 400 84 40 SER H H 8.119 0.005 1 401 84 40 SER HA H 4.434 0.005 1 402 84 40 SER HB2 H 3.868 0.005 2 403 84 40 SER HB3 H 3.868 0.005 2 404 84 40 SER C C 174.692 0.000 1 405 84 40 SER CA C 58.585 0.068 1 406 84 40 SER CB C 63.783 0.086 1 407 84 40 SER N N 115.345 0.048 1 408 85 41 SER H H 8.314 0.005 1 409 85 41 SER HA H 4.425 0.008 1 410 85 41 SER HB2 H 3.830 0.011 2 411 85 41 SER HB3 H 3.830 0.011 2 412 85 41 SER C C 174.274 0.000 1 413 85 41 SER CA C 58.619 0.085 1 414 85 41 SER CB C 63.685 0.103 1 415 85 41 SER N N 117.738 0.058 1 416 86 42 PHE H H 8.130 0.006 1 417 86 42 PHE HA H 4.737 0.006 1 418 86 42 PHE HB2 H 3.090 0.006 2 419 86 42 PHE HB3 H 2.989 0.005 2 420 86 42 PHE HD1 H 7.172 0.007 3 421 86 42 PHE HD2 H 7.172 0.007 3 422 86 42 PHE HE1 H 7.305 0.011 3 423 86 42 PHE HE2 H 7.305 0.011 3 424 86 42 PHE C C 175.398 0.000 1 425 86 42 PHE CA C 57.759 0.105 1 426 86 42 PHE CB C 39.851 0.071 1 427 86 42 PHE N N 120.323 0.047 1 428 87 43 ASN H H 8.510 0.006 1 429 87 43 ASN HA H 4.870 0.008 1 430 87 43 ASN HB2 H 2.702 0.007 2 431 87 43 ASN HB3 H 2.764 0.006 2 432 87 43 ASN HD21 H 6.939 0.005 2 433 87 43 ASN HD22 H 7.557 0.003 2 434 87 43 ASN C C 174.137 0.000 1 435 87 43 ASN CA C 52.797 0.098 1 436 87 43 ASN CB C 39.766 0.037 1 437 87 43 ASN N N 119.878 0.031 1 438 87 43 ASN ND2 N 113.060 0.081 1 439 88 44 VAL H H 7.940 0.008 1 440 88 44 VAL HA H 4.443 0.011 1 441 88 44 VAL HB H 1.923 0.006 1 442 88 44 VAL HG1 H 0.924 0.008 . 443 88 44 VAL HG2 H 0.654 0.002 . 444 88 44 VAL C C 174.647 0.000 1 445 88 44 VAL CA C 62.100 0.112 1 446 88 44 VAL CB C 33.438 0.094 1 447 88 44 VAL CG1 C 21.677 0.039 2 448 88 44 VAL CG2 C 21.536 0.015 2 449 88 44 VAL N N 121.141 0.054 1 450 89 45 LEU H H 8.494 0.005 1 451 89 45 LEU HA H 5.057 0.008 1 452 89 45 LEU HB2 H 1.587 0.007 2 453 89 45 LEU HB3 H 1.587 0.007 2 454 89 45 LEU HG H 0.682 0.005 1 455 89 45 LEU HD1 H 0.781 0.004 . 456 89 45 LEU C C 175.367 0.000 1 457 89 45 LEU CA C 53.166 0.082 1 458 89 45 LEU CB C 47.139 0.117 1 459 89 45 LEU CG C 25.570 0.091 1 460 89 45 LEU CD1 C 24.093 0.072 2 461 89 45 LEU N N 126.446 0.046 1 462 90 46 TYR H H 9.676 0.008 1 463 90 46 TYR HA H 5.217 0.005 1 464 90 46 TYR HB3 H 2.542 0.012 2 465 90 46 TYR HD1 H 7.013 0.006 3 466 90 46 TYR HD2 H 7.013 0.006 3 467 90 46 TYR HE1 H 6.733 0.012 3 468 90 46 TYR HE2 H 6.733 0.012 3 469 90 46 TYR HH H 8.343 0.000 1 470 90 46 TYR C C 174.330 0.000 1 471 90 46 TYR CA C 56.305 0.074 1 472 90 46 TYR CB C 40.454 0.097 1 473 90 46 TYR N N 119.342 0.057 1 474 91 47 LYS H H 8.659 0.007 1 475 91 47 LYS HA H 4.258 0.010 1 476 91 47 LYS HB2 H 1.783 0.004 2 477 91 47 LYS HB3 H 1.783 0.004 2 478 91 47 LYS HE2 H 3.174 0.012 2 479 91 47 LYS HE3 H 3.174 0.012 2 480 91 47 LYS CA C 55.056 0.128 1 481 91 47 LYS CB C 32.047 0.079 1 482 91 47 LYS N N 126.448 0.059 1 483 92 48 VAL HA H 5.031 0.007 1 484 92 48 VAL HB H 1.495 0.005 1 485 92 48 VAL HG2 H 0.162 0.013 . 486 92 48 VAL C C 173.169 0.000 1 487 92 48 VAL CA C 57.653 0.052 1 488 92 48 VAL CB C 34.109 0.047 1 489 92 48 VAL CG1 C 22.037 0.039 2 490 92 48 VAL CG2 C 17.903 0.024 2 491 93 49 LEU H H 8.352 0.005 1 492 93 49 LEU HA H 4.908 0.005 1 493 93 49 LEU HB2 H 1.185 0.004 2 494 93 49 LEU HB3 H 1.316 0.007 2 495 93 49 LEU HG H 0.810 0.006 1 496 93 49 LEU HD1 H 0.602 0.010 . 497 93 49 LEU C C 176.204 0.000 1 498 93 49 LEU CA C 51.635 0.085 1 499 93 49 LEU CB C 45.159 0.127 1 500 93 49 LEU CG C 25.432 0.087 1 501 93 49 LEU CD1 C 23.848 0.106 2 502 93 49 LEU N N 118.870 0.038 1 503 94 50 PHE H H 8.664 0.004 1 504 94 50 PHE HA H 4.627 0.007 1 505 94 50 PHE HB2 H 2.983 0.008 2 506 94 50 PHE HB3 H 2.983 0.008 2 507 94 50 PHE HD1 H 7.015 0.016 3 508 94 50 PHE HD2 H 7.015 0.016 3 509 94 50 PHE HE1 H 6.833 0.010 3 510 94 50 PHE HE2 H 6.833 0.010 3 511 94 50 PHE C C 176.994 0.000 1 512 94 50 PHE CA C 58.844 0.111 1 513 94 50 PHE CB C 39.624 0.082 1 514 94 50 PHE N N 120.830 0.059 1 515 95 51 PHE H H 8.626 0.008 1 516 95 51 PHE HA H 4.530 0.002 1 517 95 51 PHE HB2 H 2.735 0.003 2 518 95 51 PHE HB3 H 2.735 0.003 2 519 95 51 PHE HD1 H 7.027 0.010 3 520 95 51 PHE HD2 H 7.027 0.010 3 521 95 51 PHE HE1 H 7.130 0.014 3 522 95 51 PHE HE2 H 7.130 0.014 3 523 95 51 PHE CA C 57.215 0.048 1 524 95 51 PHE CB C 40.350 0.000 1 525 95 51 PHE N N 119.041 0.110 1 526 96 52 PRO HA H 4.501 0.010 1 527 96 52 PRO HB2 H 2.132 0.021 2 528 96 52 PRO HB3 H 1.612 0.008 2 529 96 52 PRO HG2 H 1.681 0.014 2 530 96 52 PRO HG3 H 1.681 0.014 2 531 96 52 PRO HD2 H 3.657 0.000 2 532 96 52 PRO HD3 H 3.657 0.000 2 533 96 52 PRO CA C 62.412 0.070 1 534 96 52 PRO CB C 31.991 0.083 1 535 96 52 PRO CG C 26.893 0.057 1 536 96 52 PRO CD C 50.253 0.000 1 537 97 53 ASP H H 8.453 0.008 1 538 97 53 ASP HA H 4.520 0.004 1 539 97 53 ASP HB2 H 2.609 0.009 2 540 97 53 ASP HB3 H 2.796 0.038 2 541 97 53 ASP C C 175.605 0.000 1 542 97 53 ASP CA C 55.323 0.110 1 543 97 53 ASP CB C 40.666 0.179 1 544 97 53 ASP N N 119.634 0.089 1 545 98 54 PHE H H 8.483 0.005 1 546 98 54 PHE HA H 4.177 0.008 1 547 98 54 PHE HB2 H 3.136 0.005 2 548 98 54 PHE HB3 H 3.136 0.005 2 549 98 54 PHE HD1 H 6.694 0.008 3 550 98 54 PHE HD2 H 6.694 0.008 3 551 98 54 PHE HE1 H 7.138 0.014 3 552 98 54 PHE HE2 H 7.138 0.014 3 553 98 54 PHE HZ H 6.632 0.002 1 554 98 54 PHE C C 175.230 0.000 1 555 98 54 PHE CA C 58.696 0.143 1 556 98 54 PHE CB C 34.216 0.058 1 557 98 54 PHE N N 114.428 0.070 1 558 99 55 ASN H H 8.365 0.011 1 559 99 55 ASN HA H 4.689 0.006 1 560 99 55 ASN HB2 H 2.652 0.007 2 561 99 55 ASN HB3 H 2.652 0.007 2 562 99 55 ASN HD21 H 6.627 0.008 2 563 99 55 ASN HD22 H 7.602 0.003 2 564 99 55 ASN C C 174.223 0.000 1 565 99 55 ASN CA C 53.780 0.078 1 566 99 55 ASN CB C 37.186 0.082 1 567 99 55 ASN N N 112.673 0.094 1 568 99 55 ASN ND2 N 116.352 0.061 1 569 100 56 PHE H H 8.089 0.008 1 570 100 56 PHE HA H 4.274 0.014 1 571 100 56 PHE HB2 H 2.721 0.015 2 572 100 56 PHE HB3 H 2.865 0.015 2 573 100 56 PHE HD1 H 6.908 0.009 . 574 100 56 PHE HD2 H 6.182 0.007 3 575 100 56 PHE HE1 H 7.380 0.014 3 576 100 56 PHE HE2 H 7.380 0.014 3 577 100 56 PHE HZ H 6.424 0.084 1 578 100 56 PHE C C 175.123 0.000 1 579 100 56 PHE CA C 55.280 0.140 1 580 100 56 PHE CB C 44.026 0.094 1 581 100 56 PHE N N 117.201 0.070 1 582 101 57 ALA H H 8.298 0.008 1 583 101 57 ALA HA H 4.452 0.005 1 584 101 57 ALA HB H 1.377 0.008 1 585 101 57 ALA C C 174.379 0.000 1 586 101 57 ALA CA C 51.566 0.105 1 587 101 57 ALA CB C 23.274 0.173 1 588 101 57 ALA N N 120.096 0.096 1 589 102 58 TRP H H 8.645 0.009 1 590 102 58 TRP HA H 5.682 0.088 1 591 102 58 TRP HB2 H 2.969 0.009 2 592 102 58 TRP HB3 H 3.120 0.011 2 593 102 58 TRP HD1 H 7.430 0.016 1 594 102 58 TRP HE1 H 10.398 0.003 1 595 102 58 TRP HE3 H 7.165 0.007 1 596 102 58 TRP HZ2 H 6.915 0.003 1 597 102 58 TRP C C 177.048 0.000 1 598 102 58 TRP CA C 56.165 0.113 1 599 102 58 TRP CB C 30.650 0.091 1 600 102 58 TRP N N 119.959 0.088 1 601 102 58 TRP NE1 N 129.349 0.036 . 602 103 59 VAL H H 9.707 0.005 1 603 103 59 VAL HA H 4.983 0.007 1 604 103 59 VAL HB H 2.394 0.007 1 605 103 59 VAL HG1 H 0.794 0.007 . 606 103 59 VAL HG2 H 0.731 0.014 . 607 103 59 VAL C C 175.629 0.000 1 608 103 59 VAL CA C 58.942 0.100 1 609 103 59 VAL CB C 35.895 0.124 1 610 103 59 VAL CG1 C 21.375 0.044 2 611 103 59 VAL CG2 C 19.283 0.073 2 612 103 59 VAL N N 117.095 0.050 1 613 104 60 LYS H H 8.637 0.010 1 614 104 60 LYS HA H 4.756 0.006 1 615 104 60 LYS HB2 H 1.898 0.013 2 616 104 60 LYS HB3 H 2.201 0.013 2 617 104 60 LYS C C 178.528 0.000 1 618 104 60 LYS CA C 56.312 0.110 1 619 104 60 LYS CB C 33.994 0.068 1 620 104 60 LYS N N 120.258 0.074 1 621 105 61 ARG H H 8.898 0.006 1 622 105 61 ARG HA H 3.840 0.007 1 623 105 61 ARG HB2 H 1.974 0.002 2 624 105 61 ARG HB3 H 2.045 0.003 2 625 105 61 ARG HD2 H 3.037 0.001 2 626 105 61 ARG HD3 H 3.037 0.001 2 627 105 61 ARG C C 177.516 0.000 1 628 105 61 ARG CA C 58.778 0.105 1 629 105 61 ARG CB C 30.052 0.034 1 630 105 61 ARG N N 119.910 0.039 1 631 106 62 ASN H H 8.417 0.006 1 632 106 62 ASN HA H 4.776 0.011 1 633 106 62 ASN HB2 H 2.962 0.005 2 634 106 62 ASN HB3 H 3.096 0.013 2 635 106 62 ASN HD21 H 7.655 0.001 2 636 106 62 ASN HD22 H 6.885 0.004 2 637 106 62 ASN C C 176.425 0.000 1 638 106 62 ASN CA C 54.489 0.112 1 639 106 62 ASN CB C 36.988 0.071 1 640 106 62 ASN N N 113.326 0.031 1 641 106 62 ASN ND2 N 111.861 0.052 1 642 107 63 SER H H 8.151 0.006 1 643 107 63 SER HA H 4.685 0.011 1 644 107 63 SER HB2 H 4.094 0.007 2 645 107 63 SER HB3 H 4.568 0.010 2 646 107 63 SER C C 171.291 0.000 1 647 107 63 SER CA C 58.496 0.106 1 648 107 63 SER CB C 64.104 0.258 1 649 107 63 SER N N 116.739 0.039 1 650 108 64 VAL H H 7.538 0.004 1 651 108 64 VAL HA H 5.455 0.006 1 652 108 64 VAL HB H 1.937 0.008 1 653 108 64 VAL HG1 H 0.698 0.002 . 654 108 64 VAL HG2 H 0.684 0.004 . 655 108 64 VAL C C 174.785 0.000 1 656 108 64 VAL CA C 60.539 0.109 1 657 108 64 VAL CB C 35.124 0.090 1 658 108 64 VAL CG1 C 21.463 0.023 2 659 108 64 VAL CG2 C 23.138 0.131 2 660 108 64 VAL N N 116.083 0.040 1 661 109 65 LYS H H 8.970 0.008 1 662 109 65 LYS HA H 4.985 0.000 1 663 109 65 LYS HB2 H 1.657 0.004 2 664 109 65 LYS HB3 H 1.657 0.004 2 665 109 65 LYS CA C 54.164 0.136 1 666 109 65 LYS CB C 34.017 0.095 1 667 109 65 LYS N N 122.920 0.063 1 668 110 66 PRO HA H 4.400 0.006 1 669 110 66 PRO HB2 H 2.408 0.006 2 670 110 66 PRO HB3 H 1.732 0.009 2 671 110 66 PRO HG2 H 1.885 0.012 2 672 110 66 PRO HG3 H 2.074 0.003 2 673 110 66 PRO HD2 H 3.574 0.008 2 674 110 66 PRO HD3 H 3.776 0.007 2 675 110 66 PRO C C 174.610 0.000 1 676 110 66 PRO CA C 63.917 0.102 1 677 110 66 PRO CB C 32.500 0.104 1 678 110 66 PRO CG C 27.983 0.105 1 679 111 67 LEU H H 7.845 0.007 1 680 111 67 LEU HA H 4.764 0.011 1 681 111 67 LEU HB2 H 1.060 0.010 2 682 111 67 LEU HB3 H 1.478 0.014 2 683 111 67 LEU HD2 H 0.526 0.002 . 684 111 67 LEU C C 174.218 0.000 1 685 111 67 LEU CA C 53.165 0.102 1 686 111 67 LEU CB C 42.326 0.112 1 687 111 67 LEU CD2 C 24.679 0.013 2 688 111 67 LEU N N 122.899 0.109 1 689 112 68 LEU H H 8.762 0.011 1 690 112 68 LEU HA H 4.602 0.006 1 691 112 68 LEU HB2 H 1.587 0.004 2 692 112 68 LEU HB3 H 1.853 0.003 2 693 112 68 LEU HG H 1.695 0.008 1 694 112 68 LEU HD1 H 0.875 0.007 . 695 112 68 LEU HD2 H 0.646 0.004 . 696 112 68 LEU C C 178.606 0.000 1 697 112 68 LEU CA C 53.816 0.121 1 698 112 68 LEU CB C 43.121 0.075 1 699 112 68 LEU CG C 23.237 0.000 1 700 112 68 LEU CD1 C 22.327 0.097 2 701 112 68 LEU CD2 C 24.918 0.044 2 702 112 68 LEU N N 128.304 0.050 1 703 113 69 ASP H H 9.047 0.008 1 704 113 69 ASP HA H 4.226 0.005 1 705 113 69 ASP HB2 H 2.706 0.006 2 706 113 69 ASP HB3 H 2.706 0.006 2 707 113 69 ASP C C 179.343 0.000 1 708 113 69 ASP CA C 58.312 0.108 1 709 113 69 ASP CB C 40.186 0.089 1 710 113 69 ASP N N 122.273 0.042 1 711 114 70 SER H H 8.661 0.006 1 712 114 70 SER HA H 4.162 0.008 1 713 114 70 SER HB2 H 3.861 0.001 2 714 114 70 SER HB3 H 3.902 0.004 2 715 114 70 SER C C 176.989 0.000 1 716 114 70 SER CA C 60.537 0.144 1 717 114 70 SER CB C 61.408 0.114 1 718 114 70 SER N N 113.650 0.070 1 719 115 71 GLU H H 7.066 0.005 1 720 115 71 GLU HA H 4.133 0.009 1 721 115 71 GLU HB2 H 2.123 0.008 2 722 115 71 GLU HB3 H 2.123 0.008 2 723 115 71 GLU HG2 H 2.336 0.008 2 724 115 71 GLU HG3 H 2.336 0.008 2 725 115 71 GLU C C 179.243 0.000 1 726 115 71 GLU CA C 58.346 0.117 1 727 115 71 GLU CB C 29.490 0.080 1 728 115 71 GLU CG C 35.875 0.020 1 729 115 71 GLU N N 123.719 0.043 1 730 116 72 ILE H H 7.730 0.006 1 731 116 72 ILE HA H 3.759 0.005 1 732 116 72 ILE HB H 2.016 0.007 1 733 116 72 ILE HG12 H 1.713 0.001 . 734 116 72 ILE HG13 H 1.713 0.001 . 735 116 72 ILE HG2 H 0.891 0.005 . 736 116 72 ILE C C 177.266 0.000 1 737 116 72 ILE CA C 66.088 0.117 1 738 116 72 ILE CB C 38.343 0.087 1 739 116 72 ILE CG2 C 17.134 0.006 1 740 116 72 ILE CD1 C 14.245 0.045 1 741 116 72 ILE N N 122.316 0.030 1 742 117 73 ALA H H 7.632 0.005 1 743 117 73 ALA HA H 4.057 0.008 1 744 117 73 ALA HB H 1.416 0.006 1 745 117 73 ALA C C 181.191 0.000 1 746 117 73 ALA CA C 54.966 0.118 1 747 117 73 ALA CB C 17.906 0.063 1 748 117 73 ALA N N 119.426 0.042 1 749 118 74 LYS H H 7.810 0.007 1 750 118 74 LYS HA H 3.928 0.004 1 751 118 74 LYS HB2 H 1.858 0.007 2 752 118 74 LYS HB3 H 1.858 0.007 2 753 118 74 LYS HG2 H 1.356 0.000 2 754 118 74 LYS HG3 H 1.447 0.007 2 755 118 74 LYS HD2 H 1.644 0.009 2 756 118 74 LYS HD3 H 1.644 0.009 2 757 118 74 LYS HE2 H 2.925 0.010 2 758 118 74 LYS HE3 H 2.925 0.010 2 759 118 74 LYS CA C 58.922 0.104 1 760 118 74 LYS CB C 32.610 0.076 1 761 118 74 LYS N N 118.638 0.053 1 762 119 75 PHE H H 8.048 0.006 1 763 119 75 PHE HA H 4.530 0.000 1 764 119 75 PHE HB2 H 2.578 0.000 2 765 119 75 PHE HB3 H 2.682 0.003 2 766 119 75 PHE HD1 H 6.488 0.021 3 767 119 75 PHE HD2 H 6.488 0.021 3 768 119 75 PHE HE1 H 6.807 0.011 3 769 119 75 PHE HE2 H 6.807 0.011 3 770 119 75 PHE HZ H 6.939 0.011 1 771 119 75 PHE C C 178.914 0.000 1 772 119 75 PHE CA C 62.011 0.047 1 773 119 75 PHE CB C 38.628 0.099 1 774 119 75 PHE N N 120.294 0.062 1 775 120 76 LEU H H 8.312 0.001 1 776 120 76 LEU HA H 3.740 0.005 1 777 120 76 LEU HB2 H 1.458 0.009 2 778 120 76 LEU HB3 H 1.807 0.015 2 779 120 76 LEU HG H 1.056 0.010 1 780 120 76 LEU C C 178.821 0.000 1 781 120 76 LEU CA C 56.915 0.121 1 782 120 76 LEU CB C 41.078 0.035 1 783 120 76 LEU CG C 23.092 0.049 1 784 120 76 LEU CD2 C 26.410 0.043 2 785 121 77 GLY H H 7.796 0.005 1 786 121 77 GLY HA2 H 3.659 0.008 2 787 121 77 GLY HA3 H 4.091 0.007 2 788 121 77 GLY C C 174.166 0.000 1 789 121 77 GLY CA C 45.178 0.097 1 790 121 77 GLY N N 104.900 0.029 1 791 122 78 SER H H 7.053 0.006 1 792 122 78 SER HA H 4.467 0.010 1 793 122 78 SER HB2 H 3.843 0.001 2 794 122 78 SER HB3 H 3.948 0.004 2 795 122 78 SER C C 174.865 0.000 1 796 122 78 SER CA C 58.075 0.122 1 797 122 78 SER CB C 63.886 0.102 1 798 122 78 SER N N 115.225 0.026 1 799 123 79 SER H H 8.443 0.003 1 800 123 79 SER HA H 4.304 0.005 1 801 123 79 SER HB2 H 3.740 0.005 2 802 123 79 SER HB3 H 3.886 0.002 2 803 123 79 SER C C 174.737 0.000 1 804 123 79 SER CA C 58.418 0.060 1 805 123 79 SER CB C 63.273 0.072 1 806 123 79 SER N N 117.610 0.104 1 807 124 80 LYS H H 7.591 0.006 1 808 124 80 LYS HA H 4.134 0.006 1 809 124 80 LYS HB2 H 1.646 0.007 2 810 124 80 LYS HB3 H 1.731 0.011 2 811 124 80 LYS HD2 H 1.366 0.009 2 812 124 80 LYS HD3 H 1.366 0.009 2 813 124 80 LYS HE2 H 2.970 0.002 2 814 124 80 LYS HE3 H 2.970 0.002 2 815 124 80 LYS C C 176.267 0.000 1 816 124 80 LYS CA C 56.543 0.093 1 817 124 80 LYS CB C 32.852 0.054 1 818 124 80 LYS CG C 24.822 0.000 1 819 124 80 LYS CE C 46.150 0.064 1 820 124 80 LYS N N 121.876 0.034 1 821 125 81 ARG H H 8.474 0.007 1 822 125 81 ARG HA H 4.166 0.002 1 823 125 81 ARG HB2 H 1.792 0.008 2 824 125 81 ARG HB3 H 1.792 0.008 2 825 125 81 ARG HG2 H 1.590 0.000 2 826 125 81 ARG HG3 H 1.590 0.000 2 827 125 81 ARG HD2 H 3.181 0.008 2 828 125 81 ARG HD3 H 3.181 0.008 2 829 125 81 ARG CA C 57.284 0.199 1 830 125 81 ARG CB C 29.566 0.107 1 831 125 81 ARG CG C 27.152 0.046 1 832 125 81 ARG N N 121.090 0.094 1 833 126 82 LYS H H 8.150 0.005 1 834 126 82 LYS HA H 4.616 0.011 1 835 126 82 LYS HB2 H 1.626 0.006 2 836 126 82 LYS HB3 H 1.823 0.009 2 837 126 82 LYS HG2 H 1.137 0.013 2 838 126 82 LYS HG3 H 1.137 0.013 2 839 126 82 LYS HD2 H 1.111 0.008 2 840 126 82 LYS HD3 H 1.111 0.008 2 841 126 82 LYS HE2 H 2.536 0.005 2 842 126 82 LYS HE3 H 2.536 0.005 2 843 126 82 LYS C C 175.464 0.000 1 844 126 82 LYS CA C 54.731 0.165 1 845 126 82 LYS CB C 34.777 0.093 1 846 126 82 LYS CG C 23.240 0.291 1 847 126 82 LYS CD C 28.675 0.031 1 848 126 82 LYS CE C 41.483 0.026 1 849 126 82 LYS N N 122.610 0.079 1 850 127 83 SER H H 8.468 0.007 1 851 127 83 SER HA H 4.521 0.008 1 852 127 83 SER HB2 H 4.114 0.005 2 853 127 83 SER HB3 H 4.444 0.008 2 854 127 83 SER C C 174.922 0.000 1 855 127 83 SER CA C 57.380 0.091 1 856 127 83 SER CB C 64.335 0.069 1 857 127 83 SER N N 117.094 0.078 1 858 128 84 LYS H H 8.995 0.006 1 859 128 84 LYS HA H 3.997 0.006 1 860 128 84 LYS HB2 H 1.850 0.006 2 861 128 84 LYS HB3 H 1.958 0.016 2 862 128 84 LYS C C 178.716 0.000 1 863 128 84 LYS CA C 59.665 0.047 1 864 128 84 LYS CB C 32.420 0.131 1 865 128 84 LYS CG C 24.738 0.044 1 866 128 84 LYS N N 125.142 0.029 1 867 129 85 GLU H H 9.107 0.017 1 868 129 85 GLU HA H 4.176 0.011 1 869 129 85 GLU HB2 H 2.347 0.013 2 870 129 85 GLU HB3 H 2.347 0.013 2 871 129 85 GLU HG2 H 2.416 0.000 2 872 129 85 GLU HG3 H 2.741 0.006 2 873 129 85 GLU C C 178.824 0.000 1 874 129 85 GLU CA C 60.386 0.132 1 875 129 85 GLU CB C 28.827 0.048 1 876 129 85 GLU CG C 37.079 0.039 1 877 129 85 GLU N N 118.057 0.022 1 878 130 86 LEU H H 7.797 0.007 1 879 130 86 LEU HA H 3.531 0.006 1 880 130 86 LEU HB2 H 1.865 0.000 2 881 130 86 LEU HB3 H 2.006 0.003 2 882 130 86 LEU HG H 1.291 0.005 1 883 130 86 LEU HD1 H 0.110 0.007 . 884 130 86 LEU C C 179.285 0.000 1 885 130 86 LEU CA C 56.817 0.133 1 886 130 86 LEU CB C 42.251 0.122 1 887 130 86 LEU CD1 C 21.714 0.048 2 888 130 86 LEU CD2 C 26.717 0.000 2 889 130 86 LEU N N 122.689 0.062 1 890 131 87 ILE H H 8.236 0.010 1 891 131 87 ILE HA H 3.653 0.005 1 892 131 87 ILE HB H 1.993 0.007 1 893 131 87 ILE HG2 H 0.907 0.012 . 894 131 87 ILE HD1 H 0.836 0.004 . 895 131 87 ILE CA C 66.795 0.103 1 896 131 87 ILE CB C 38.320 0.099 1 897 131 87 ILE CG1 C 30.012 0.000 1 898 131 87 ILE CG2 C 17.128 0.027 1 899 131 87 ILE CD1 C 14.075 0.026 1 900 131 87 ILE N N 120.377 0.050 1 901 132 88 GLU H H 8.299 0.009 1 902 132 88 GLU HA H 4.029 0.006 1 903 132 88 GLU HB2 H 2.064 0.004 2 904 132 88 GLU HB3 H 2.245 0.010 2 905 132 88 GLU HG2 H 2.358 0.004 2 906 132 88 GLU HG3 H 2.584 0.006 2 907 132 88 GLU C C 179.551 0.000 1 908 132 88 GLU CA C 59.140 0.092 1 909 132 88 GLU CB C 28.895 0.045 1 910 132 88 GLU CG C 35.738 0.022 1 911 132 88 GLU N N 117.432 0.091 1 912 133 89 ALA H H 7.951 0.008 1 913 133 89 ALA HA H 3.755 0.008 1 914 133 89 ALA HB H 1.357 0.007 1 915 133 89 ALA C C 178.791 0.000 1 916 133 89 ALA CA C 55.899 0.047 1 917 133 89 ALA CB C 19.684 0.050 1 918 133 89 ALA N N 122.584 0.035 1 919 134 90 TYR H H 8.351 0.009 1 920 134 90 TYR HA H 3.699 0.005 1 921 134 90 TYR HB2 H 2.532 0.013 2 922 134 90 TYR HB3 H 3.078 0.008 2 923 134 90 TYR HD1 H 6.684 0.009 3 924 134 90 TYR HD2 H 6.684 0.009 3 925 134 90 TYR HE1 H 5.920 0.009 3 926 134 90 TYR HE2 H 5.920 0.009 3 927 134 90 TYR C C 180.226 0.000 1 928 134 90 TYR CA C 62.429 0.134 1 929 134 90 TYR CB C 38.982 0.118 1 930 134 90 TYR N N 117.198 0.056 1 931 135 91 GLU H H 8.979 0.007 1 932 135 91 GLU HA H 3.933 0.005 1 933 135 91 GLU HB2 H 1.743 0.000 2 934 135 91 GLU HB3 H 2.084 0.016 2 935 135 91 GLU C C 179.893 0.000 1 936 135 91 GLU CA C 59.680 0.077 1 937 135 91 GLU CB C 28.829 0.060 1 938 135 91 GLU CG C 35.010 0.022 1 939 135 91 GLU N N 118.661 0.075 1 940 136 92 ALA H H 8.177 0.007 1 941 136 92 ALA HA H 4.101 0.013 1 942 136 92 ALA HB H 1.638 0.005 1 943 136 92 ALA C C 179.235 0.000 1 944 136 92 ALA CA C 54.631 0.080 1 945 136 92 ALA CB C 18.698 0.053 1 946 136 92 ALA N N 121.642 0.077 1 947 137 93 SER H H 7.282 0.005 1 948 137 93 SER HA H 2.881 0.012 1 949 137 93 SER HB2 H 2.471 0.014 2 950 137 93 SER HB3 H 2.471 0.014 2 951 137 93 SER C C 173.880 0.000 1 952 137 93 SER CA C 60.275 0.102 1 953 137 93 SER CB C 62.759 0.119 1 954 137 93 SER N N 113.680 0.062 1 955 138 94 LYS H H 7.053 0.006 1 956 138 94 LYS HA H 3.859 0.005 1 957 138 94 LYS HB2 H 1.900 0.005 2 958 138 94 LYS HB3 H 1.900 0.005 2 959 138 94 LYS HG2 H 1.466 0.004 2 960 138 94 LYS HG3 H 1.466 0.004 2 961 138 94 LYS HE2 H 2.535 0.000 2 962 138 94 LYS HE3 H 2.535 0.000 2 963 138 94 LYS C C 177.362 0.000 1 964 138 94 LYS CA C 59.098 0.073 1 965 138 94 LYS CB C 33.441 0.124 1 966 138 94 LYS CG C 26.045 0.000 1 967 138 94 LYS N N 120.124 0.088 1 968 139 95 THR H H 7.407 0.010 1 969 139 95 THR HA H 4.726 0.005 1 970 139 95 THR HB H 4.261 0.003 1 971 139 95 THR HG2 H 1.126 0.002 . 972 139 95 THR CA C 57.053 0.057 1 973 139 95 THR CB C 69.353 0.115 1 974 139 95 THR CG2 C 20.953 0.023 1 975 139 95 THR N N 109.398 0.114 1 976 141 97 PRO HA H 4.361 0.004 1 977 141 97 PRO HB2 H 2.252 0.006 2 978 141 97 PRO HB3 H 1.866 0.008 2 979 141 97 PRO HG2 H 2.000 0.008 2 980 141 97 PRO HG3 H 2.000 0.008 2 981 141 97 PRO HD3 H 3.784 0.011 2 982 141 97 PRO C C 176.474 0.000 1 983 141 97 PRO CA C 63.192 0.055 1 984 141 97 PRO CB C 32.017 0.066 1 985 141 97 PRO CG C 27.346 0.051 1 986 141 97 PRO CD C 50.470 0.105 1 987 142 98 ASP H H 8.368 0.005 1 988 142 98 ASP HA H 4.552 0.003 1 989 142 98 ASP HB2 H 2.661 0.009 2 990 142 98 ASP HB3 H 2.661 0.009 2 991 142 98 ASP C C 176.365 0.000 1 992 142 98 ASP CA C 53.898 0.043 1 993 142 98 ASP CB C 40.641 0.083 1 994 142 98 ASP N N 119.490 0.030 1 995 143 99 LEU H H 8.112 0.012 1 996 143 99 LEU HA H 4.295 0.008 1 997 143 99 LEU HB2 H 1.519 0.007 2 998 143 99 LEU HB3 H 1.519 0.007 2 999 143 99 LEU HG H 1.460 0.000 1 1000 143 99 LEU HD1 H 0.544 0.000 . 1001 143 99 LEU C C 177.385 0.000 1 1002 143 99 LEU CA C 55.222 0.092 1 1003 143 99 LEU CB C 42.011 0.097 1 1004 143 99 LEU CD1 C 25.773 0.069 2 1005 143 99 LEU CD2 C 22.811 0.068 2 1006 143 99 LEU N N 122.864 0.097 1 1007 144 100 LYS H H 8.312 0.010 1 1008 144 100 LYS HA H 4.207 0.009 1 1009 144 100 LYS HB2 H 1.816 0.020 2 1010 144 100 LYS HB3 H 1.816 0.020 2 1011 144 100 LYS HG2 H 1.410 0.007 2 1012 144 100 LYS HG3 H 1.410 0.007 2 1013 144 100 LYS HD2 H 1.660 0.007 2 1014 144 100 LYS HD3 H 1.660 0.007 2 1015 144 100 LYS CA C 57.150 0.056 1 1016 144 100 LYS CB C 32.736 0.044 1 1017 144 100 LYS CG C 24.716 0.060 1 1018 144 100 LYS N N 119.728 0.171 1 1019 145 101 GLU H H 8.381 0.018 1 1020 145 101 GLU HA H 4.156 0.002 1 1021 145 101 GLU HB2 H 1.827 0.012 2 1022 145 101 GLU HB3 H 2.013 0.004 2 1023 145 101 GLU HG2 H 2.175 0.011 2 1024 145 101 GLU HG3 H 2.175 0.011 2 1025 145 101 GLU C C 176.588 0.000 1 1026 145 101 GLU CA C 56.585 0.115 1 1027 145 101 GLU CB C 29.814 0.080 1 1028 145 101 GLU CG C 35.152 0.035 1 1029 145 101 GLU N N 120.694 0.078 1 1030 146 102 GLU H H 8.268 0.017 1 1031 146 102 GLU HA H 4.307 0.008 1 1032 146 102 GLU HB2 H 1.900 0.010 2 1033 146 102 GLU HB3 H 1.990 0.013 2 1034 146 102 GLU HG2 H 2.259 0.002 2 1035 146 102 GLU HG3 H 2.259 0.002 2 1036 146 102 GLU C C 176.002 0.000 1 1037 146 102 GLU CA C 56.445 0.154 1 1038 146 102 GLU CB C 29.899 0.076 1 1039 146 102 GLU CG C 35.147 0.061 1 1040 146 102 GLU N N 120.737 0.056 1 1041 147 103 SER H H 8.354 0.007 1 1042 147 103 SER HA H 4.445 0.005 1 1043 147 103 SER HB2 H 3.856 0.003 2 1044 147 103 SER HB3 H 3.964 0.005 2 1045 147 103 SER C C 175.418 0.000 1 1046 147 103 SER CA C 58.155 0.174 1 1047 147 103 SER CB C 63.774 0.120 1 1048 147 103 SER N N 115.966 0.071 1 1049 148 104 SER H H 8.483 0.006 1 1050 148 104 SER HA H 4.285 0.001 1 1051 148 104 SER HB2 H 3.876 0.016 2 1052 148 104 SER HB3 H 3.876 0.016 2 1053 148 104 SER C C 175.358 0.000 1 1054 148 104 SER CA C 59.542 0.058 1 1055 148 104 SER CB C 63.303 0.023 1 1056 148 104 SER N N 117.717 0.068 1 1057 149 105 THR H H 7.978 0.006 1 1058 149 105 THR HA H 4.184 0.012 1 1059 149 105 THR HB H 4.018 0.004 1 1060 149 105 THR HG2 H 1.137 0.003 . 1061 149 105 THR C C 174.861 0.000 1 1062 149 105 THR CA C 63.021 0.140 1 1063 149 105 THR CB C 69.193 0.057 1 1064 149 105 THR CG2 C 21.755 0.000 . 1065 149 105 THR N N 115.312 0.028 1 1066 150 106 ASP H H 8.075 0.010 1 1067 150 106 ASP HA H 4.528 0.005 1 1068 150 106 ASP HB2 H 2.717 0.009 2 1069 150 106 ASP HB3 H 2.717 0.009 2 1070 150 106 ASP C C 177.073 0.000 1 1071 150 106 ASP CA C 55.088 0.083 1 1072 150 106 ASP CB C 40.640 0.090 1 1073 150 106 ASP N N 122.506 0.073 1 stop_ save_