data_19735 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure, dynamics and RNA binding of the multi-domain splicing factor TIA-1 ; _BMRB_accession_number 19735 _BMRB_flat_file_name bmr19735.str _Entry_type original _Submission_date 2014-01-13 _Accession_date 2014-01-13 _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 Sattler Michael . . 2 Wang Iren . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1073 "13C chemical shifts" 767 "15N chemical shifts" 198 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-04-23 update BMRB 'update entry citation' 2014-01-13 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure, dynamics and RNA binding of the multi-domain splicing factor TIA-1.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24682828 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Iren . . 2 Hennig Janosch . . 3 Jagtap 'Pravin Kumar Ankush' . . 4 Sonntag Miriam . . 5 Valcarcel Juan . . 6 Sattler Michael . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _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 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'TIA-1 RRM2,3 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'TIA-1 RRM2,3 monomer' $TIA-1_RRM2-3 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_TIA-1_RRM2-3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TIA-1_RRM2,3 _Molecular_mass 20568.250 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 185 _Mol_residue_sequence ; AMANHFHVFVGDLSPEITTE DIKAAFAPFGRISDARVVKD MATGKSKGYGFVSFFNKWDA ENAIQQMGGQWLGGRQIRTN WATRKPPAPKSTYESNTKQL SYDEVVNQSSPSNCTVYCGG VTSGLTEQLMRQTFSPFGQI MEIRVFPDKGYSFVRFNSHE SAAHAIVSVNGTTIEGHVVK CYWGK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 90 ALA 2 91 MET 3 92 ALA 4 93 ASN 5 94 HIS 6 95 PHE 7 96 HIS 8 97 VAL 9 98 PHE 10 99 VAL 11 100 GLY 12 101 ASP 13 102 LEU 14 103 SER 15 104 PRO 16 105 GLU 17 106 ILE 18 107 THR 19 108 THR 20 109 GLU 21 110 ASP 22 111 ILE 23 112 LYS 24 113 ALA 25 114 ALA 26 115 PHE 27 116 ALA 28 117 PRO 29 118 PHE 30 119 GLY 31 120 ARG 32 121 ILE 33 122 SER 34 123 ASP 35 124 ALA 36 125 ARG 37 126 VAL 38 127 VAL 39 128 LYS 40 129 ASP 41 130 MET 42 131 ALA 43 132 THR 44 133 GLY 45 134 LYS 46 135 SER 47 136 LYS 48 137 GLY 49 138 TYR 50 139 GLY 51 140 PHE 52 141 VAL 53 142 SER 54 143 PHE 55 144 PHE 56 145 ASN 57 146 LYS 58 147 TRP 59 148 ASP 60 149 ALA 61 150 GLU 62 151 ASN 63 152 ALA 64 153 ILE 65 154 GLN 66 155 GLN 67 156 MET 68 157 GLY 69 158 GLY 70 159 GLN 71 160 TRP 72 161 LEU 73 162 GLY 74 163 GLY 75 164 ARG 76 165 GLN 77 166 ILE 78 167 ARG 79 168 THR 80 169 ASN 81 170 TRP 82 171 ALA 83 172 THR 84 173 ARG 85 174 LYS 86 175 PRO 87 176 PRO 88 177 ALA 89 178 PRO 90 179 LYS 91 180 SER 92 181 THR 93 182 TYR 94 183 GLU 95 184 SER 96 185 ASN 97 186 THR 98 187 LYS 99 188 GLN 100 189 LEU 101 190 SER 102 191 TYR 103 192 ASP 104 193 GLU 105 194 VAL 106 195 VAL 107 196 ASN 108 197 GLN 109 198 SER 110 199 SER 111 200 PRO 112 201 SER 113 202 ASN 114 203 CYS 115 204 THR 116 205 VAL 117 206 TYR 118 207 CYS 119 208 GLY 120 209 GLY 121 210 VAL 122 211 THR 123 212 SER 124 213 GLY 125 214 LEU 126 215 THR 127 216 GLU 128 217 GLN 129 218 LEU 130 219 MET 131 220 ARG 132 221 GLN 133 222 THR 134 223 PHE 135 224 SER 136 225 PRO 137 226 PHE 138 227 GLY 139 228 GLN 140 229 ILE 141 230 MET 142 231 GLU 143 232 ILE 144 233 ARG 145 234 VAL 146 235 PHE 147 236 PRO 148 237 ASP 149 238 LYS 150 239 GLY 151 240 TYR 152 241 SER 153 242 PHE 154 243 VAL 155 244 ARG 156 245 PHE 157 246 ASN 158 247 SER 159 248 HIS 160 249 GLU 161 250 SER 162 251 ALA 163 252 ALA 164 253 HIS 165 254 ALA 166 255 ILE 167 256 VAL 168 257 SER 169 258 VAL 170 259 ASN 171 260 GLY 172 261 THR 173 262 THR 174 263 ILE 175 264 GLU 176 265 GLY 177 266 HIS 178 267 VAL 179 268 VAL 180 269 LYS 181 270 CYS 182 271 TYR 183 272 TRP 184 273 GLY 185 274 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-02 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 2MJN "Structure, Dynamics And Rna Binding Of The Multi-domain Splicing Factor Tia-1" 100.00 186 100.00 100.00 1.19e-135 REF XP_005264588 "PREDICTED: nucleolysin TIA-1 isoform p40 isoform X5 [Homo sapiens]" 99.46 285 98.91 99.46 1.24e-131 REF XP_009182643 "PREDICTED: nucleolysin TIA-1 isoform p40 isoform X2 [Papio anubis]" 99.46 285 98.91 99.46 1.24e-131 REF XP_011239587 "PREDICTED: nucleolysin TIA-1 isoform X3 [Mus musculus]" 99.46 285 97.28 99.46 1.76e-129 REF XP_012381224 "PREDICTED: nucleolysin TIA-1 isoform p40 isoform X3 [Dasypus novemcinctus]" 99.46 285 98.91 99.46 1.04e-131 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $TIA-1_RRM2-3 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 $TIA-1_RRM2-3 'recombinant technology' . Escherichia coli . pETtrx-1a 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 $TIA-1_RRM2-3 0.1-0.7 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 10 mM 'natural abundance' 'sodium azide' 0.02 % '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 $TIA-1_RRM2-3 0.1-0.55 mM '[U-99% 15N]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 10 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TIA-1_RRM2-3 0.1-0.5 mM '[U-10% 13C]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 10 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 'data analysis' processing stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'peak picking' processing stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'chemical shift calculation' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HNCACB_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D HNCACB' '3D HBHA(CO)NH' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'TIA-1 RRM2,3 monomer' _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 90 1 ALA HA H 4.329 0 1 2 90 1 ALA HB H 1.352 0 1 3 90 1 ALA CA C 52.376 0 1 4 90 1 ALA CB C 19.427 0 1 5 91 2 MET H H 8.178 0.017 1 6 91 2 MET HA H 4.39 0 1 7 91 2 MET HB2 H 1.668 0 2 8 91 2 MET HB3 H 1.969 0 2 9 91 2 MET HG2 H 2.505 0 1 10 91 2 MET HG3 H 2.505 0 1 11 91 2 MET HE H 2.061 0 1 12 91 2 MET CA C 54.964 0 1 13 91 2 MET CB C 32.674 0 1 14 91 2 MET CE C 16.946 0 1 15 91 2 MET N N 119.922 0.019 1 16 92 3 ALA H H 8.337 0.006 1 17 92 3 ALA HA H 4.206 0 1 18 92 3 ALA HB H 1.303 0 1 19 92 3 ALA CA C 52.953 0 1 20 92 3 ALA CB C 19.007 0 1 21 92 3 ALA N N 125.043 0.025 1 22 93 4 ASN H H 8.189 0.004 1 23 93 4 ASN HA H 4.562 0 1 24 93 4 ASN HB2 H 2.643 0.002 1 25 93 4 ASN HB3 H 2.643 0.002 1 26 93 4 ASN HD21 H 6.818 0.003 2 27 93 4 ASN HD22 H 7.502 0 2 28 93 4 ASN C C 174.184 0 1 29 93 4 ASN CA C 52.805 0 1 30 93 4 ASN CB C 38.507 0 1 31 93 4 ASN N N 116.361 0.104 1 32 93 4 ASN ND2 N 112.394 0.25 1 33 94 5 HIS H H 7.486 0.02 1 34 94 5 HIS HA H 4.622 0 1 35 94 5 HIS HB2 H 2.628 0 2 36 94 5 HIS HB3 H 2.808 0 2 37 94 5 HIS HD2 H 7.004 0.008 1 38 94 5 HIS HE1 H 7.581 0 1 39 94 5 HIS C C 172.167 0 1 40 94 5 HIS CA C 53.482 0 1 41 94 5 HIS CB C 32.25 0 1 42 94 5 HIS CD2 C 119.796 0 1 43 94 5 HIS CE1 C 138.534 0 1 44 94 5 HIS N N 118.284 0.107 1 45 95 6 PHE H H 8.416 0.002 1 46 95 6 PHE HA H 4.554 0 1 47 95 6 PHE HB2 H 2.752 0 2 48 95 6 PHE HB3 H 3.141 0 2 49 95 6 PHE HD1 H 7.076 0.017 3 50 95 6 PHE HD2 H 7.076 0.017 3 51 95 6 PHE HE1 H 7.261 0 3 52 95 6 PHE HE2 H 7.261 0 3 53 95 6 PHE C C 174.999 0 1 54 95 6 PHE CA C 58.316 0 1 55 95 6 PHE CB C 40.654 0.034 1 56 95 6 PHE CD1 C 129.338 0 1 57 95 6 PHE CD2 C 129.338 0 1 58 95 6 PHE CE1 C 131.835 0 1 59 95 6 PHE CE2 C 131.835 0 1 60 95 6 PHE N N 117.738 0.057 1 61 96 7 HIS H H 8.875 0.017 1 62 96 7 HIS HA H 5.162 0 1 63 96 7 HIS HB2 H 2.782 0 2 64 96 7 HIS HB3 H 3.299 0 2 65 96 7 HIS HD2 H 7.17 0.013 1 66 96 7 HIS HE1 H 7.492 0 1 67 96 7 HIS C C 174.158 0 1 68 96 7 HIS CA C 56.47 0 1 69 96 7 HIS CB C 32.932 0 1 70 96 7 HIS CD2 C 120.745 0 1 71 96 7 HIS CE1 C 138.312 0 1 72 96 7 HIS N N 124.245 0.037 1 73 97 8 VAL H H 9.787 0.007 1 74 97 8 VAL HA H 4.38 0 1 75 97 8 VAL HB H 2.333 0 1 76 97 8 VAL HG1 H 0.706 0.004 1 77 97 8 VAL HG2 H 0.929 0.003 1 78 97 8 VAL C C 175.302 0 1 79 97 8 VAL CA C 62.209 0.132 1 80 97 8 VAL CB C 33.874 0.087 1 81 97 8 VAL CG1 C 20.836 0.09 1 82 97 8 VAL CG2 C 21.857 0.016 1 83 97 8 VAL N N 126.619 0.035 1 84 98 9 PHE H H 9.165 0.003 1 85 98 9 PHE HA H 4.701 0 1 86 98 9 PHE HB2 H 2.755 0 2 87 98 9 PHE HB3 H 2.946 0 2 88 98 9 PHE HD1 H 6.919 0.001 3 89 98 9 PHE HD2 H 6.919 0.001 3 90 98 9 PHE HE1 H 6.844 0 3 91 98 9 PHE HE2 H 6.844 0 3 92 98 9 PHE HZ H 7.508 0 1 93 98 9 PHE C C 172.741 0 1 94 98 9 PHE CA C 57.398 0 1 95 98 9 PHE CB C 40.888 0.072 1 96 98 9 PHE CD1 C 132.323 0 1 97 98 9 PHE CD2 C 132.323 0 1 98 98 9 PHE CE1 C 130.351 0 1 99 98 9 PHE CE2 C 130.351 0 1 100 98 9 PHE CZ C 129.946 0 1 101 98 9 PHE N N 128.081 0.031 1 102 99 10 VAL H H 7.816 0.005 1 103 99 10 VAL HA H 4.516 0 1 104 99 10 VAL HB H 1.389 0 1 105 99 10 VAL HG1 H 0.74 0.003 1 106 99 10 VAL HG2 H 0.422 0.001 1 107 99 10 VAL C C 173.498 0 1 108 99 10 VAL CA C 59.536 0.093 1 109 99 10 VAL CB C 32.65 0.081 1 110 99 10 VAL CG1 C 22.714 0.068 1 111 99 10 VAL CG2 C 21.467 0.102 1 112 99 10 VAL N N 127.009 0.035 1 113 100 11 GLY H H 8.82 0.003 1 114 100 11 GLY HA2 H 3.399 0 2 115 100 11 GLY HA3 H 4.546 0 2 116 100 11 GLY C C 175.324 0 1 117 100 11 GLY CA C 43.355 0 1 118 100 11 GLY N N 111.352 0.026 1 119 101 12 ASP H H 8.415 0.009 1 120 101 12 ASP HA H 4.205 0 1 121 101 12 ASP HB2 H 2.925 0 2 122 101 12 ASP HB3 H 3.062 0.018 2 123 101 12 ASP C C 173.947 0 1 124 101 12 ASP CA C 55.402 0 1 125 101 12 ASP CB C 38.765 0.028 1 126 101 12 ASP N N 115.379 0.04 1 127 102 13 LEU H H 7.625 0.009 1 128 102 13 LEU HA H 4.3 0 1 129 102 13 LEU HB2 H 1.066 0.023 2 130 102 13 LEU HB3 H 1.146 0.01 2 131 102 13 LEU HG H 1.258 0 1 132 102 13 LEU HD1 H 0.421 0.002 1 133 102 13 LEU HD2 H 0.609 0.002 1 134 102 13 LEU C C 178.323 0 1 135 102 13 LEU CA C 52.999 0.028 1 136 102 13 LEU CB C 42.833 0.088 1 137 102 13 LEU CG C 26.433 0 1 138 102 13 LEU CD1 C 26.269 0.019 1 139 102 13 LEU CD2 C 23.163 0.072 1 140 102 13 LEU N N 112.395 0.057 1 141 103 14 SER H H 8.908 0.011 1 142 103 14 SER HA H 4.445 0 1 143 103 14 SER HB2 H 3.999 0 2 144 103 14 SER HB3 H 4.161 0 2 145 103 14 SER CA C 56.798 0 1 146 103 14 SER CB C 62.884 0.01 1 147 103 14 SER N N 120.81 0.1 1 148 104 15 PRO HA H 4.244 0.006 1 149 104 15 PRO HB2 H 2.028 0 2 150 104 15 PRO HB3 H 2.453 0 2 151 104 15 PRO HG2 H 2.094 0 1 152 104 15 PRO HG3 H 2.094 0 1 153 104 15 PRO HD2 H 3.899 0 2 154 104 15 PRO HD3 H 3.955 0 2 155 104 15 PRO C C 176.235 0 1 156 104 15 PRO CA C 65.513 0.004 1 157 104 15 PRO CB C 31.912 0 1 158 104 15 PRO CD C 51.101 0.006 1 159 105 16 GLU H H 8.963 0.006 1 160 105 16 GLU HA H 4.345 0 1 161 105 16 GLU HB2 H 1.986 0 2 162 105 16 GLU HB3 H 2.111 0 2 163 105 16 GLU HG2 H 2.228 0 2 164 105 16 GLU HG3 H 2.351 0 2 165 105 16 GLU C C 176.759 0 1 166 105 16 GLU CA C 56.624 0 1 167 105 16 GLU CB C 28.986 0 1 168 105 16 GLU CG C 36.836 0.001 1 169 105 16 GLU N N 116.02 0.028 1 170 106 17 ILE H H 7.363 0.002 1 171 106 17 ILE HA H 4.31 0 1 172 106 17 ILE HB H 2.146 0 1 173 106 17 ILE HG12 H 1.394 0 2 174 106 17 ILE HG13 H 1.619 0 2 175 106 17 ILE HG2 H 0.929 0.003 1 176 106 17 ILE HD1 H 0.708 0.004 1 177 106 17 ILE C C 177.061 0 1 178 106 17 ILE CA C 59.466 0.096 1 179 106 17 ILE CB C 34.963 0.059 1 180 106 17 ILE CG1 C 27.045 0.026 1 181 106 17 ILE CG2 C 18.356 0.04 1 182 106 17 ILE CD1 C 9.619 0.048 1 183 106 17 ILE N N 121.567 0.025 1 184 107 18 THR H H 9.428 0.003 1 185 107 18 THR HA H 4.747 0 1 186 107 18 THR HB H 4.749 0 1 187 107 18 THR HG2 H 1.378 0 1 188 107 18 THR C C 176.265 0 1 189 107 18 THR CA C 60.181 0 1 190 107 18 THR CB C 73.217 0 1 191 107 18 THR CG2 C 21.453 0 1 192 107 18 THR N N 121.147 0.031 1 193 108 19 THR H H 9.045 0.007 1 194 108 19 THR HA H 4.178 0 1 195 108 19 THR HB H 3.578 0 1 196 108 19 THR HG2 H 1.176 0.01 1 197 108 19 THR C C 175.359 0 1 198 108 19 THR CA C 66.93 0.099 1 199 108 19 THR CB C 69.011 0 1 200 108 19 THR CG2 C 23.35 0.064 1 201 108 19 THR N N 118.388 0.031 1 202 109 20 GLU H H 8.448 0.003 1 203 109 20 GLU HA H 3.876 0 1 204 109 20 GLU HB2 H 2.009 0 1 205 109 20 GLU HB3 H 2.009 0 1 206 109 20 GLU HG2 H 2.31 0 2 207 109 20 GLU HG3 H 2.484 0 2 208 109 20 GLU C C 179.184 0 1 209 109 20 GLU CA C 60.568 0 1 210 109 20 GLU CB C 28.491 0 1 211 109 20 GLU CG C 37.114 0.004 1 212 109 20 GLU N N 119.943 0.019 1 213 110 21 ASP H H 7.729 0.004 1 214 110 21 ASP HA H 4.462 0 1 215 110 21 ASP HB2 H 2.589 0 2 216 110 21 ASP HB3 H 3.26 0 2 217 110 21 ASP C C 179.775 0 1 218 110 21 ASP CA C 57.446 0 1 219 110 21 ASP CB C 41.455 0 1 220 110 21 ASP N N 120.103 0.032 1 221 111 22 ILE H H 7.887 0.043 1 222 111 22 ILE HA H 4.051 0 1 223 111 22 ILE HB H 1.86 0.001 1 224 111 22 ILE HG12 H 1.243 0 2 225 111 22 ILE HG13 H 1.274 0 2 226 111 22 ILE HG2 H 0.714 0 1 227 111 22 ILE HD1 H 0.515 0.007 1 228 111 22 ILE C C 177.459 0 1 229 111 22 ILE CA C 64.148 0.079 1 230 111 22 ILE CB C 36.935 0.075 1 231 111 22 ILE CG1 C 27.511 0 1 232 111 22 ILE CG2 C 18.152 0.076 1 233 111 22 ILE CD1 C 12.417 0.019 1 234 111 22 ILE N N 118.186 0.041 1 235 112 23 LYS H H 8.315 0.005 1 236 112 23 LYS HA H 3.74 0.005 1 237 112 23 LYS HB2 H 1.777 0 2 238 112 23 LYS HB3 H 1.923 0 2 239 112 23 LYS HG2 H 1.235 0 2 240 112 23 LYS HG3 H 1.51 0 2 241 112 23 LYS HD2 H 1.678 0 1 242 112 23 LYS HD3 H 1.678 0 1 243 112 23 LYS HE2 H 2.801 0 2 244 112 23 LYS HE3 H 2.876 0 2 245 112 23 LYS C C 177.789 0 1 246 112 23 LYS CA C 60.908 0.054 1 247 112 23 LYS CB C 32.07 0.065 1 248 112 23 LYS CG C 26.841 0 1 249 112 23 LYS CD C 29.677 0 1 250 112 23 LYS N N 121.649 0.028 1 251 113 24 ALA H H 7.761 0.002 1 252 113 24 ALA HA H 4.178 0.004 1 253 113 24 ALA HB H 1.536 0 1 254 113 24 ALA C C 180.258 0 1 255 113 24 ALA CA C 54.852 0.017 1 256 113 24 ALA CB C 18.047 0.077 1 257 113 24 ALA N N 118.305 0.026 1 258 114 25 ALA H H 7.848 0.003 1 259 114 25 ALA HA H 4.207 0 1 260 114 25 ALA HB H 1.482 0 1 261 114 25 ALA C C 177.779 0 1 262 114 25 ALA CA C 53.818 0.076 1 263 114 25 ALA CB C 18.907 0.052 1 264 114 25 ALA N N 117.983 0.032 1 265 115 26 PHE H H 7.987 0.002 1 266 115 26 PHE HA H 4.863 0 1 267 115 26 PHE HB2 H 3.09 0 2 268 115 26 PHE HB3 H 3.391 0 2 269 115 26 PHE HD1 H 7.718 0.014 3 270 115 26 PHE HD2 H 7.718 0.014 3 271 115 26 PHE HE1 H 7.354 0 3 272 115 26 PHE HE2 H 7.354 0 3 273 115 26 PHE C C 175.403 0 1 274 115 26 PHE CA C 59.27 0 1 275 115 26 PHE CB C 40.253 0.034 1 276 115 26 PHE CD1 C 131.625 0 1 277 115 26 PHE CD2 C 131.625 0 1 278 115 26 PHE CE1 C 131.629 0 1 279 115 26 PHE CE2 C 131.629 0 1 280 115 26 PHE N N 111.938 0.019 1 281 116 27 ALA H H 8.046 0.003 1 282 116 27 ALA HA H 4.561 0 1 283 116 27 ALA HB H 1.601 0 1 284 116 27 ALA CA C 55.639 0 1 285 116 27 ALA CB C 16.685 0.044 1 286 116 27 ALA N N 125.036 0.032 1 287 117 28 PRO HA H 4.164 0.006 1 288 117 28 PRO HB2 H 2.027 0 1 289 117 28 PRO HB3 H 2.027 0 1 290 117 28 PRO HD2 H 3.682 0.005 2 291 117 28 PRO HD3 H 3.773 0 2 292 117 28 PRO C C 177.358 0 1 293 117 28 PRO CA C 65.251 0.075 1 294 117 28 PRO CB C 31.551 0.056 1 295 117 28 PRO CG C 27.639 0.347 1 296 117 28 PRO CD C 50.704 0.05 1 297 118 29 PHE H H 7.716 0.013 1 298 118 29 PHE HA H 4.26 0 1 299 118 29 PHE HB2 H 3.025 0 2 300 118 29 PHE HB3 H 3.334 0 2 301 118 29 PHE HD1 H 7.399 0.002 3 302 118 29 PHE HD2 H 7.399 0.002 3 303 118 29 PHE HE1 H 6.501 0 3 304 118 29 PHE HE2 H 6.501 0 3 305 118 29 PHE C C 174.557 0 1 306 118 29 PHE CA C 59.491 0 1 307 118 29 PHE CB C 38.926 0.078 1 308 118 29 PHE CD1 C 130.247 0 1 309 118 29 PHE CD2 C 130.247 0 1 310 118 29 PHE CE1 C 133.347 0 1 311 118 29 PHE CE2 C 133.347 0 1 312 118 29 PHE N N 112.491 0.172 1 313 119 30 GLY H H 7.616 0.003 1 314 119 30 GLY HA2 H 3.878 0 2 315 119 30 GLY HA3 H 4.821 0 2 316 119 30 GLY C C 171.629 0 1 317 119 30 GLY CA C 44.46 0 1 318 119 30 GLY N N 104.616 0.03 1 319 120 31 ARG H H 8.283 0.004 1 320 120 31 ARG HA H 4.319 0 1 321 120 31 ARG HB2 H 1.959 0 1 322 120 31 ARG HB3 H 1.959 0 1 323 120 31 ARG HG2 H 1.657 0 2 324 120 31 ARG HG3 H 1.871 0 2 325 120 31 ARG HD2 H 2.958 0 2 326 120 31 ARG HD3 H 3.121 0 2 327 120 31 ARG C C 177.001 0 1 328 120 31 ARG CA C 57.651 0 1 329 120 31 ARG CB C 30.929 0 1 330 120 31 ARG N N 117.05 0.04 1 331 121 32 ILE H H 8.527 0.006 1 332 121 32 ILE HA H 4.246 0 1 333 121 32 ILE HB H 1.612 0.001 1 334 121 32 ILE HG12 H 0.246 0.006 2 335 121 32 ILE HG2 H 0.59 0.002 1 336 121 32 ILE HD1 H 0.7 0.006 1 337 121 32 ILE C C 176.684 0 1 338 121 32 ILE CA C 60.353 0.039 1 339 121 32 ILE CB C 40.783 0.056 1 340 121 32 ILE CG1 C 27.891 0.056 1 341 121 32 ILE CG2 C 17.398 0.084 1 342 121 32 ILE CD1 C 14.279 0.026 1 343 121 32 ILE N N 127.76 0.03 1 344 122 33 SER H H 8.817 0.008 1 345 122 33 SER HA H 4.184 0 1 346 122 33 SER HB2 H 2.077 0 2 347 122 33 SER HB3 H 2.954 0 2 348 122 33 SER C C 174.543 0 1 349 122 33 SER CA C 58.236 0 1 350 122 33 SER CB C 62.99 0 1 351 122 33 SER N N 123.088 0.034 1 352 123 34 ASP H H 7.257 0.005 1 353 123 34 ASP HA H 4.651 0 1 354 123 34 ASP HB2 H 2.303 0 2 355 123 34 ASP HB3 H 2.74 0 2 356 123 34 ASP C C 172.734 0 1 357 123 34 ASP CA C 53.597 0 1 358 123 34 ASP CB C 43.823 0 1 359 123 34 ASP N N 118.984 0.057 1 360 124 35 ALA H H 8.029 0.003 1 361 124 35 ALA HA H 4.978 0.023 1 362 124 35 ALA HB H 1.224 0 1 363 124 35 ALA C C 176.562 0 1 364 124 35 ALA CA C 51.553 0.036 1 365 124 35 ALA CB C 22.495 0 1 366 124 35 ALA N N 121.377 0.039 1 367 125 36 ARG H H 8.656 0.003 1 368 125 36 ARG HA H 4.693 0 1 369 125 36 ARG HB2 H 1.673 0 2 370 125 36 ARG HB3 H 1.87 0 2 371 125 36 ARG HG2 H 1.474 0 1 372 125 36 ARG HG3 H 1.474 0 1 373 125 36 ARG HD2 H 3.172 0 1 374 125 36 ARG HD3 H 3.172 0 1 375 125 36 ARG C C 174.358 0 1 376 125 36 ARG CA C 55.586 0 1 377 125 36 ARG CB C 32.807 0 1 378 125 36 ARG N N 115.548 0.025 1 379 126 37 VAL H H 7.676 0.003 1 380 126 37 VAL HA H 3.882 0 1 381 126 37 VAL HB H 1.717 0 1 382 126 37 VAL HG1 H 0.725 0.006 1 383 126 37 VAL HG2 H 0.608 0.001 1 384 126 37 VAL C C 175.881 0 1 385 126 37 VAL CA C 62.918 0.123 1 386 126 37 VAL CB C 32.998 0.036 1 387 126 37 VAL CG1 C 20.782 0.05 1 388 126 37 VAL CG2 C 22.698 0.105 1 389 126 37 VAL N N 123.615 0.033 1 390 127 38 VAL H H 8.468 0.003 1 391 127 38 VAL HA H 3.655 0 1 392 127 38 VAL HB H 1.044 0 1 393 127 38 VAL HG1 H 0.818 0 1 394 127 38 VAL HG2 H 0.89 0 1 395 127 38 VAL C C 173.933 0 1 396 127 38 VAL CA C 64.085 0.036 1 397 127 38 VAL CB C 30.404 0.019 1 398 127 38 VAL CG1 C 21.185 0.03 1 399 127 38 VAL CG2 C 22.33 0.17 1 400 127 38 VAL N N 130.444 0.031 1 401 128 39 LYS H H 8.123 0.003 1 402 128 39 LYS HA H 4.76 0 1 403 128 39 LYS HB2 H 1.354 0 2 404 128 39 LYS HB3 H 1.503 0 2 405 128 39 LYS HG2 H 0.876 0 1 406 128 39 LYS HG3 H 0.876 0 1 407 128 39 LYS HD2 H 1.088 0 1 408 128 39 LYS HD3 H 1.088 0 1 409 128 39 LYS HE2 H 2.934 0 1 410 128 39 LYS HE3 H 2.934 0 1 411 128 39 LYS C C 175.896 0 1 412 128 39 LYS CA C 53.901 0 1 413 128 39 LYS CB C 35.488 0 1 414 128 39 LYS N N 125.223 0.039 1 415 129 40 ASP H H 8.678 0.002 1 416 129 40 ASP HA H 4.539 0 1 417 129 40 ASP HB2 H 2.433 0 2 418 129 40 ASP HB3 H 3.09 0 2 419 129 40 ASP C C 177.384 0 1 420 129 40 ASP CA C 53.682 0 1 421 129 40 ASP CB C 42.63 0 1 422 129 40 ASP N N 121.993 0.018 1 423 130 41 MET H H 9.02 0.006 1 424 130 41 MET HA H 4.246 0 1 425 130 41 MET HB2 H 2.13 0 1 426 130 41 MET HB3 H 2.13 0 1 427 130 41 MET HG2 H 2.627 0 2 428 130 41 MET HG3 H 2.766 0 2 429 130 41 MET HE H 2.123 0 1 430 130 41 MET C C 177.33 0 1 431 130 41 MET CA C 57.264 0 1 432 130 41 MET CB C 31.634 0 1 433 130 41 MET CG C 32.123 0.005 1 434 130 41 MET CE C 16.598 0 1 435 130 41 MET N N 127.035 0.014 1 436 131 42 ALA H H 8.573 0.005 1 437 131 42 ALA HA H 4.369 0 1 438 131 42 ALA HB H 1.542 0.002 1 439 131 42 ALA C C 179.591 0 1 440 131 42 ALA CA C 54.34 0.036 1 441 131 42 ALA CB C 19.185 0.038 1 442 131 42 ALA N N 120.749 0.026 1 443 132 43 THR H H 7.781 0.003 1 444 132 43 THR HA H 4.46 0 1 445 132 43 THR HB H 4.35 0.003 1 446 132 43 THR HG2 H 1.233 0 1 447 132 43 THR C C 176.521 0 1 448 132 43 THR CA C 61.437 0 1 449 132 43 THR CB C 71.239 0.098 1 450 132 43 THR CG2 C 20.899 0 1 451 132 43 THR N N 104.877 0.02 1 452 133 44 GLY H H 8.432 0.001 1 453 133 44 GLY HA2 H 3.775 0 2 454 133 44 GLY HA3 H 4.208 0 2 455 133 44 GLY C C 173.604 0 1 456 133 44 GLY CA C 45.7 0 1 457 133 44 GLY N N 111.319 0.019 1 458 134 45 LYS H H 7.72 0.002 1 459 134 45 LYS HA H 4.325 0 1 460 134 45 LYS HB2 H 1.69 0 2 461 134 45 LYS HB3 H 1.865 0 2 462 134 45 LYS HG2 H 1.438 0.001 1 463 134 45 LYS HG3 H 1.438 0.001 1 464 134 45 LYS HD2 H 1.686 0.002 1 465 134 45 LYS HD3 H 1.686 0.002 1 466 134 45 LYS HE2 H 3.018 0 1 467 134 45 LYS HE3 H 3.018 0 1 468 134 45 LYS CA C 55.551 0.182 1 469 134 45 LYS CB C 33.562 0.107 1 470 134 45 LYS CG C 24.774 0.092 1 471 134 45 LYS CD C 28.983 0.051 1 472 134 45 LYS CE C 42.16 0.036 1 473 134 45 LYS N N 119.154 0.025 1 474 135 46 SER H H 8.775 0.002 1 475 135 46 SER HA H 4.194 0 1 476 135 46 SER HB2 H 3.748 0 2 477 135 46 SER HB3 H 3.98 0 2 478 135 46 SER C C 177.109 0 1 479 135 46 SER CA C 58.318 0 1 480 135 46 SER CB C 63.934 0 1 481 135 46 SER N N 115.429 0.026 1 482 136 47 LYS H H 9.304 0.007 1 483 136 47 LYS HA H 4.411 0 1 484 136 47 LYS HB2 H 1.176 0 2 485 136 47 LYS HB3 H 2.059 0 2 486 136 47 LYS HG2 H 1.379 0 1 487 136 47 LYS HG3 H 1.379 0 1 488 136 47 LYS HD2 H 1.7 0 1 489 136 47 LYS HD3 H 1.7 0 1 490 136 47 LYS HE2 H 3.035 0 1 491 136 47 LYS HE3 H 3.035 0 1 492 136 47 LYS C C 177.328 0 1 493 136 47 LYS CA C 56.642 0 1 494 136 47 LYS CB C 32.222 0 1 495 136 47 LYS N N 125.868 0.057 1 496 137 48 GLY H H 9.261 0.005 1 497 137 48 GLY HA2 H 3.627 0 2 498 137 48 GLY HA3 H 4.218 0 2 499 137 48 GLY C C 172.691 0 1 500 137 48 GLY CA C 45.797 0 1 501 137 48 GLY N N 107.176 0.041 1 502 138 49 TYR H H 7.101 0.005 1 503 138 49 TYR HA H 5.068 0 1 504 138 49 TYR HB2 H 2.821 0 2 505 138 49 TYR HB3 H 3.131 0 2 506 138 49 TYR HD1 H 6.688 0.004 3 507 138 49 TYR HD2 H 6.688 0.004 3 508 138 49 TYR HE1 H 6.835 0 3 509 138 49 TYR HE2 H 6.835 0 3 510 138 49 TYR C C 172.236 0 1 511 138 49 TYR CA C 55.181 0 1 512 138 49 TYR CB C 40.467 0.076 1 513 138 49 TYR CD1 C 134.079 0 1 514 138 49 TYR CD2 C 134.079 0 1 515 138 49 TYR CE1 C 118.03 0 1 516 138 49 TYR CE2 C 118.03 0 1 517 138 49 TYR N N 112.904 0.023 1 518 139 50 GLY H H 8.849 0.002 1 519 139 50 GLY HA2 H 3.804 0.004 2 520 139 50 GLY HA3 H 4.09 0.012 2 521 139 50 GLY C C 169.387 0 1 522 139 50 GLY CA C 45.218 0.045 1 523 139 50 GLY N N 106.301 0.022 1 524 140 51 PHE H H 8.475 0.004 1 525 140 51 PHE HA H 5.798 0.005 1 526 140 51 PHE HB2 H 2.555 0 2 527 140 51 PHE HB3 H 3 0 2 528 140 51 PHE HD1 H 7.022 0.01 3 529 140 51 PHE HD2 H 7.022 0.01 3 530 140 51 PHE HE1 H 7.47 0 3 531 140 51 PHE HE2 H 7.47 0 3 532 140 51 PHE C C 174.599 0 1 533 140 51 PHE CA C 55.736 0.056 1 534 140 51 PHE CB C 44.596 0.019 1 535 140 51 PHE CD1 C 131.413 0 1 536 140 51 PHE CD2 C 131.413 0 1 537 140 51 PHE CE1 C 130.921 0 1 538 140 51 PHE CE2 C 130.921 0 1 539 140 51 PHE N N 113.844 0.038 1 540 141 52 VAL H H 8.987 0.004 1 541 141 52 VAL HA H 4.28 0 1 542 141 52 VAL HB H 1.319 0 1 543 141 52 VAL HG1 H 0.265 0.003 1 544 141 52 VAL HG2 H 0.153 0.004 1 545 141 52 VAL C C 173.676 0 1 546 141 52 VAL CA C 61.277 0.027 1 547 141 52 VAL CB C 34.767 0.063 1 548 141 52 VAL CG1 C 21.929 0.07 1 549 141 52 VAL CG2 C 20.723 0.036 1 550 141 52 VAL N N 120.089 0.026 1 551 142 53 SER H H 8.742 0.005 1 552 142 53 SER HA H 5.541 0.001 1 553 142 53 SER HB2 H 3.459 0 1 554 142 53 SER HB3 H 3.459 0 1 555 142 53 SER C C 172.785 0 1 556 142 53 SER CA C 57.425 0.029 1 557 142 53 SER CB C 64.119 0.03 1 558 142 53 SER N N 122.36 0.03 1 559 143 54 PHE H H 9.265 0.007 1 560 143 54 PHE HA H 5.032 0 1 561 143 54 PHE HB2 H 2.792 0 2 562 143 54 PHE HB3 H 3.922 0 2 563 143 54 PHE HD1 H 7.218 0.002 3 564 143 54 PHE HD2 H 7.218 0.002 3 565 143 54 PHE HE1 H 7.098 0 3 566 143 54 PHE HE2 H 7.098 0 3 567 143 54 PHE C C 175.858 0 1 568 143 54 PHE CA C 56.9 0 1 569 143 54 PHE CB C 42.871 0.005 1 570 143 54 PHE CD1 C 130.016 0 1 571 143 54 PHE CD2 C 130.016 0 1 572 143 54 PHE CE1 C 129.89 0 1 573 143 54 PHE CE2 C 129.89 0 1 574 143 54 PHE N N 122.242 0.037 1 575 144 55 PHE H H 7.865 0.013 1 576 144 55 PHE HA H 4.143 0 1 577 144 55 PHE HB2 H 2.982 0.013 2 578 144 55 PHE HB3 H 3.21 0.003 2 579 144 55 PHE HD1 H 7.258 0.002 3 580 144 55 PHE HD2 H 7.258 0.002 3 581 144 55 PHE HE1 H 7.241 0 3 582 144 55 PHE HE2 H 7.241 0 3 583 144 55 PHE C C 175.795 0 1 584 144 55 PHE CA C 61.308 0.051 1 585 144 55 PHE CB C 40.005 0.148 1 586 144 55 PHE CD1 C 130.272 0 1 587 144 55 PHE CD2 C 130.272 0 1 588 144 55 PHE CE1 C 132.691 0 1 589 144 55 PHE CE2 C 132.691 0 1 590 144 55 PHE N N 117.985 0.032 1 591 145 56 ASN H H 8.64 0.007 1 592 145 56 ASN HA H 5.013 0 1 593 145 56 ASN HB2 H 2.178 0 2 594 145 56 ASN HB3 H 2.553 0 2 595 145 56 ASN HD21 H 7.077 0 2 596 145 56 ASN HD22 H 7.64 0 2 597 145 56 ASN C C 174.748 0 1 598 145 56 ASN CA C 51.753 0 1 599 145 56 ASN CB C 40.674 0 1 600 145 56 ASN N N 114.502 0.053 1 601 145 56 ASN ND2 N 114.473 0.018 1 602 146 57 LYS H H 8.189 0.004 1 603 146 57 LYS HA H 2.863 0.002 1 604 146 57 LYS HB2 H 0.463 0 2 605 146 57 LYS HB3 H 0.931 0 2 606 146 57 LYS HG2 H 1.324 0 1 607 146 57 LYS HG3 H 1.324 0 1 608 146 57 LYS HD2 H 1.108 0 1 609 146 57 LYS HD3 H 1.108 0 1 610 146 57 LYS HE2 H 2.606 0 2 611 146 57 LYS HE3 H 2.671 0 2 612 146 57 LYS C C 177.085 0 1 613 146 57 LYS CA C 60.043 0.055 1 614 146 57 LYS CB C 32.09 0.073 1 615 146 57 LYS CG C 24.877 0 1 616 146 57 LYS CE C 41.648 0.013 1 617 146 57 LYS N N 126.493 0.021 1 618 147 58 TRP H H 7.61 0.002 1 619 147 58 TRP HA H 4.476 0 1 620 147 58 TRP HB2 H 3.307 0.012 2 621 147 58 TRP HB3 H 3.335 0 2 622 147 58 TRP HD1 H 7.35 0.001 1 623 147 58 TRP HE1 H 10.211 0 1 624 147 58 TRP HE3 H 7.765 0 1 625 147 58 TRP HZ2 H 7.493 0 1 626 147 58 TRP HZ3 H 7.249 0 1 627 147 58 TRP HH2 H 7.247 0 1 628 147 58 TRP C C 177.824 0 1 629 147 58 TRP CA C 59.147 0 1 630 147 58 TRP CB C 27.961 0.096 1 631 147 58 TRP CD1 C 128.131 0 1 632 147 58 TRP CE3 C 120.821 0 1 633 147 58 TRP CZ2 C 114.609 0 1 634 147 58 TRP CZ3 C 122.424 0 1 635 147 58 TRP CH2 C 124.656 0 1 636 147 58 TRP N N 116.785 0.063 1 637 147 58 TRP NE1 N 130.189 0 1 638 148 59 ASP H H 6.919 0.01 1 639 148 59 ASP HA H 4.387 0 1 640 148 59 ASP HB2 H 2.626 0.006 1 641 148 59 ASP HB3 H 2.626 0.006 1 642 148 59 ASP C C 176.52 0 1 643 148 59 ASP CA C 56.971 0.047 1 644 148 59 ASP CB C 40.606 0.059 1 645 148 59 ASP N N 121.24 0.024 1 646 149 60 ALA H H 6.613 0.004 1 647 149 60 ALA HA H 2.995 0.002 1 648 149 60 ALA HB H 1.32 0 1 649 149 60 ALA C C 177.954 0 1 650 149 60 ALA CA C 54.424 0.005 1 651 149 60 ALA CB C 19.096 0 1 652 149 60 ALA N N 119.583 0.035 1 653 150 61 GLU H H 8.309 0.017 1 654 150 61 GLU HA H 3.504 0 1 655 150 61 GLU HB2 H 2.074 0 2 656 150 61 GLU HB3 H 2.262 0 2 657 150 61 GLU HG2 H 2.379 0 2 658 150 61 GLU HG3 H 2.459 0 2 659 150 61 GLU C C 178.931 0 1 660 150 61 GLU CA C 59.558 0 1 661 150 61 GLU CB C 29.932 0 1 662 150 61 GLU N N 117.121 0.031 1 663 151 62 ASN H H 7.96 0.003 1 664 151 62 ASN HA H 4.307 0 1 665 151 62 ASN HB2 H 2.661 0 2 666 151 62 ASN HB3 H 2.748 0 2 667 151 62 ASN HD21 H 6.728 0 2 668 151 62 ASN HD22 H 8.009 0 2 669 151 62 ASN C C 176.31 0 1 670 151 62 ASN CA C 55.815 0 1 671 151 62 ASN CB C 38.096 0 1 672 151 62 ASN N N 117.984 0.022 1 673 151 62 ASN ND2 N 113.275 0.002 1 674 152 63 ALA H H 7.875 0.002 1 675 152 63 ALA HA H 2.416 0 1 676 152 63 ALA HB H 1.201 0 1 677 152 63 ALA C C 179.359 0 1 678 152 63 ALA CA C 54.948 0.042 1 679 152 63 ALA CB C 18.924 0 1 680 152 63 ALA N N 121.658 0.022 1 681 153 64 ILE H H 8.094 0.003 1 682 153 64 ILE HA H 3.016 0.003 1 683 153 64 ILE HB H 1.465 0 1 684 153 64 ILE HG12 H 0.206 0 2 685 153 64 ILE HG2 H 0.576 0 1 686 153 64 ILE HD1 H -0.64 0.003 1 687 153 64 ILE C C 179.066 0 1 688 153 64 ILE CA C 66.188 0.148 1 689 153 64 ILE CB C 38.18 0.138 1 690 153 64 ILE CG1 C 32.114 0 1 691 153 64 ILE CG2 C 16.681 0 1 692 153 64 ILE CD1 C 11.178 0.052 1 693 153 64 ILE N N 116.526 0.046 1 694 154 65 GLN H H 7.664 0.003 1 695 154 65 GLN HA H 3.93 0.001 1 696 154 65 GLN HB2 H 2.132 0 1 697 154 65 GLN HB3 H 2.132 0 1 698 154 65 GLN HG2 H 2.448 0 1 699 154 65 GLN HG3 H 2.448 0 1 700 154 65 GLN HE21 H 6.869 0 2 701 154 65 GLN HE22 H 7.641 0 2 702 154 65 GLN C C 178.475 0 1 703 154 65 GLN CA C 58.454 0.11 1 704 154 65 GLN CB C 28.771 0 1 705 154 65 GLN CG C 33.584 0.129 1 706 154 65 GLN N N 117.175 0.032 1 707 154 65 GLN NE2 N 112.745 0.006 1 708 155 66 GLN H H 8.439 0.003 1 709 155 66 GLN HA H 4.142 0 1 710 155 66 GLN HB2 H 2.01 0.011 2 711 155 66 GLN HB3 H 2.198 0 2 712 155 66 GLN HG2 H 2.448 0 1 713 155 66 GLN HG3 H 2.448 0 1 714 155 66 GLN HE21 H 6.824 0 2 715 155 66 GLN HE22 H 7.514 0 2 716 155 66 GLN C C 178.18 0 1 717 155 66 GLN CA C 57.985 0 1 718 155 66 GLN CB C 29.054 0.112 1 719 155 66 GLN CG C 33.762 0 1 720 155 66 GLN N N 114.712 0.027 1 721 155 66 GLN NE2 N 111.785 0.004 1 722 156 67 MET H H 7.707 0.005 1 723 156 67 MET HA H 4.764 0 1 724 156 67 MET HB2 H 1.588 0 2 725 156 67 MET HB3 H 1.997 0 2 726 156 67 MET HG2 H 1.344 0 2 727 156 67 MET HG3 H 1.667 0 2 728 156 67 MET HE H 1.511 0 1 729 156 67 MET C C 177.45 0 1 730 156 67 MET CA C 53.961 0 1 731 156 67 MET CB C 30.483 0 1 732 156 67 MET CE C 15.644 0 1 733 156 67 MET N N 113.06 0.068 1 734 157 68 GLY H H 7.061 0.006 1 735 157 68 GLY HA2 H 3.696 0 2 736 157 68 GLY HA3 H 3.861 0 2 737 157 68 GLY CA C 48.778 0 1 738 157 68 GLY N N 106.974 0.039 1 739 158 69 GLY H H 8.48 0.004 1 740 158 69 GLY HA2 H 4.018 0 2 741 158 69 GLY HA3 H 4.193 0.002 2 742 158 69 GLY C C 173.662 0 1 743 158 69 GLY CA C 45.765 0.005 1 744 158 69 GLY N N 115.337 0.037 1 745 159 70 GLN H H 7.645 0.009 1 746 159 70 GLN HA H 4.327 0 1 747 159 70 GLN HB2 H 1.981 0 2 748 159 70 GLN HB3 H 2.192 0 2 749 159 70 GLN HG2 H 2.296 0 2 750 159 70 GLN HG3 H 2.783 0 2 751 159 70 GLN HE21 H 6.978 0 2 752 159 70 GLN HE22 H 7.554 0 2 753 159 70 GLN C C 174.984 0 1 754 159 70 GLN CA C 55.055 0 1 755 159 70 GLN CB C 28.407 0 1 756 159 70 GLN N N 118.523 0.028 1 757 159 70 GLN NE2 N 114.456 0.007 1 758 160 71 TRP H H 8.638 0.006 1 759 160 71 TRP HA H 4.508 0 1 760 160 71 TRP HB2 H 3.035 0.023 1 761 160 71 TRP HB3 H 3.035 0.023 1 762 160 71 TRP HD1 H 7.355 0.002 1 763 160 71 TRP HE1 H 10.148 0 1 764 160 71 TRP HE3 H 7.226 0 1 765 160 71 TRP HZ2 H 7.397 0 1 766 160 71 TRP HZ3 H 7.068 0 1 767 160 71 TRP HH2 H 7.18 0 1 768 160 71 TRP C C 176.491 0 1 769 160 71 TRP CA C 57.611 0 1 770 160 71 TRP CB C 28.981 0.046 1 771 160 71 TRP CD1 C 127.065 0 1 772 160 71 TRP CE3 C 119.874 0 1 773 160 71 TRP CZ2 C 114.654 0 1 774 160 71 TRP CZ3 C 121.952 0 1 775 160 71 TRP CH2 C 123.965 0 1 776 160 71 TRP N N 121.045 0.036 1 777 160 71 TRP NE1 N 129.508 0 1 778 161 72 LEU H H 8.607 0.005 1 779 161 72 LEU HA H 4.71 0 1 780 161 72 LEU HB2 H 1.406 0 2 781 161 72 LEU HB3 H 1.707 0 2 782 161 72 LEU HG H 1.517 0 1 783 161 72 LEU HD1 H 0.873 0.002 1 784 161 72 LEU HD2 H 0.8 0.002 1 785 161 72 LEU CA C 54.726 0.005 1 786 161 72 LEU CB C 43.917 0.076 1 787 161 72 LEU CG C 27.462 0.005 1 788 161 72 LEU CD1 C 24.363 0.058 1 789 161 72 LEU CD2 C 25.208 0.041 1 790 161 72 LEU N N 125.831 0.037 1 791 162 73 GLY H H 9.331 0.006 1 792 162 73 GLY HA2 H 3.865 0.002 1 793 162 73 GLY HA3 H 3.865 0.002 1 794 162 73 GLY C C 175.632 0 1 795 162 73 GLY CA C 47.204 0.043 1 796 162 73 GLY N N 115.388 0.05 1 797 163 74 GLY H H 8.758 0.006 1 798 163 74 GLY HA2 H 3.628 0 2 799 163 74 GLY HA3 H 4.194 0 2 800 163 74 GLY C C 174.429 0 1 801 163 74 GLY CA C 45.763 0 1 802 163 74 GLY N N 107.49 0.038 1 803 164 75 ARG H H 7.629 0.001 1 804 164 75 ARG HA H 4.703 0 1 805 164 75 ARG HB2 H 1.795 0 2 806 164 75 ARG HB3 H 1.951 0 2 807 164 75 ARG HG2 H 1.628 0 2 808 164 75 ARG HG3 H 1.776 0 2 809 164 75 ARG HD2 H 3.066 0 1 810 164 75 ARG HD3 H 3.066 0 1 811 164 75 ARG C C 173.722 0 1 812 164 75 ARG CA C 54.892 0 1 813 164 75 ARG CB C 33.901 0 1 814 164 75 ARG N N 119.05 0.033 1 815 165 76 GLN H H 7.832 0.004 1 816 165 76 GLN HA H 3.957 0 1 817 165 76 GLN HB2 H 0.96 0.001 2 818 165 76 GLN HB3 H 1.199 0 2 819 165 76 GLN HE21 H 6.759 0 2 820 165 76 GLN HE22 H 7.443 0 2 821 165 76 GLN C C 176.153 0 1 822 165 76 GLN CA C 55.075 0 1 823 165 76 GLN CB C 29.664 0.039 1 824 165 76 GLN N N 121.684 0.024 1 825 165 76 GLN NE2 N 112.202 0.008 1 826 166 77 ILE H H 8.192 0.003 1 827 166 77 ILE HA H 4.647 0 1 828 166 77 ILE HB H 2.072 0 1 829 166 77 ILE HG12 H 1.387 0 2 830 166 77 ILE HG2 H 0.91 0 1 831 166 77 ILE HD1 H 0.76 0.005 1 832 166 77 ILE C C 176.029 0 1 833 166 77 ILE CA C 61.021 0.051 1 834 166 77 ILE CB C 39.72 0.08 1 835 166 77 ILE CG1 C 25.005 0.011 1 836 166 77 ILE CG2 C 19.87 0.024 1 837 166 77 ILE CD1 C 14.546 0.061 1 838 166 77 ILE N N 118.309 0.059 1 839 167 78 ARG H H 7.934 0.004 1 840 167 78 ARG HA H 4.959 0 1 841 167 78 ARG HB2 H 1.61 0 2 842 167 78 ARG HB3 H 1.763 0 2 843 167 78 ARG HG2 H 1.223 0 2 844 167 78 ARG HG3 H 1.533 0 2 845 167 78 ARG HD2 H 3.199 0 1 846 167 78 ARG HD3 H 3.199 0 1 847 167 78 ARG C C 175.21 0 1 848 167 78 ARG CA C 53.691 0.02 1 849 167 78 ARG CB C 33.288 0.038 1 850 167 78 ARG CG C 27.065 0 1 851 167 78 ARG CD C 43.436 0.034 1 852 167 78 ARG N N 119.764 0.039 1 853 168 79 THR H H 8.435 0.004 1 854 168 79 THR HA H 5.655 0.007 1 855 168 79 THR HB H 3.945 0 1 856 168 79 THR HG2 H 1.095 0 1 857 168 79 THR C C 174.16 0 1 858 168 79 THR CA C 58.28 0.071 1 859 168 79 THR CB C 71.302 0.073 1 860 168 79 THR CG2 C 23.168 0 1 861 168 79 THR N N 110.789 0.067 1 862 169 80 ASN H H 8.645 0.004 1 863 169 80 ASN HA H 4.699 0 1 864 169 80 ASN HB2 H 2.919 0 2 865 169 80 ASN HB3 H 3.004 0 2 866 169 80 ASN HD21 H 6.803 0 2 867 169 80 ASN HD22 H 7.513 0 2 868 169 80 ASN C C 174.272 0 1 869 169 80 ASN CA C 52.51 0 1 870 169 80 ASN CB C 41.996 0 1 871 169 80 ASN N N 114.985 0.069 1 872 169 80 ASN ND2 N 112.263 0.002 1 873 170 81 TRP H H 8.818 0.005 1 874 170 81 TRP HA H 4.889 0 1 875 170 81 TRP HB2 H 3.091 0 2 876 170 81 TRP HB3 H 3.526 0 2 877 170 81 TRP HD1 H 7.425 0.008 1 878 170 81 TRP HE1 H 10.377 0 1 879 170 81 TRP HZ2 H 7.453 0 1 880 170 81 TRP HZ3 H 7.061 0 1 881 170 81 TRP HH2 H 7.187 0 1 882 170 81 TRP C C 177.401 0 1 883 170 81 TRP CA C 58.889 0 1 884 170 81 TRP CB C 30.122 0.198 1 885 170 81 TRP CD1 C 127.335 0 1 886 170 81 TRP CZ2 C 114.276 0 1 887 170 81 TRP CZ3 C 121.627 0 1 888 170 81 TRP CH2 C 124.193 0 1 889 170 81 TRP N N 122.043 0.032 1 890 170 81 TRP NE1 N 129.413 0 1 891 171 82 ALA H H 8.941 0.007 1 892 171 82 ALA HA H 4.683 0 1 893 171 82 ALA HB H 1.603 0 1 894 171 82 ALA C C 177.519 0 1 895 171 82 ALA CA C 52.622 0 1 896 171 82 ALA CB C 19.559 0 1 897 171 82 ALA N N 125.556 0.091 1 898 172 83 THR H H 8.486 0.009 1 899 172 83 THR HA H 4.364 0 1 900 172 83 THR HB H 4.235 0 1 901 172 83 THR HG2 H 1.219 0 1 902 172 83 THR C C 174.56 0 1 903 172 83 THR CA C 61.991 0 1 904 172 83 THR CB C 69.72 0 1 905 172 83 THR CG2 C 21.54 0 1 906 172 83 THR N N 113.941 0.114 1 907 173 84 ARG H H 8.185 0.033 1 908 173 84 ARG HA H 4.282 0 1 909 173 84 ARG HB2 H 1.63 0 2 910 173 84 ARG HB3 H 1.769 0 2 911 173 84 ARG HG2 H 1.472 0 1 912 173 84 ARG HG3 H 1.472 0 1 913 173 84 ARG HD2 H 3.023 0 1 914 173 84 ARG HD3 H 3.023 0 1 915 173 84 ARG C C 175.277 0 1 916 173 84 ARG CA C 55.356 0.088 1 917 173 84 ARG CB C 31.011 0.011 1 918 173 84 ARG CG C 26.675 0 1 919 173 84 ARG CD C 43.221 0.022 1 920 173 84 ARG N N 122.316 0.084 1 921 174 85 LYS H H 8.247 0.005 1 922 174 85 LYS HA H 4.297 0.008 1 923 174 85 LYS HB2 H 1.621 0.002 1 924 174 85 LYS HB3 H 1.621 0.002 1 925 174 85 LYS HG2 H 1.263 0.004 1 926 174 85 LYS HG3 H 1.263 0.004 1 927 174 85 LYS HD2 H 1.558 0 1 928 174 85 LYS HD3 H 1.558 0 1 929 174 85 LYS HE2 H 2.876 0 1 930 174 85 LYS HE3 H 2.876 0 1 931 174 85 LYS CA C 53.9 0.07 1 932 174 85 LYS CB C 32.383 0.104 1 933 174 85 LYS CG C 24.325 0.029 1 934 174 85 LYS CD C 29.114 0.075 1 935 174 85 LYS CE C 41.977 0.079 1 936 174 85 LYS N N 123.794 0.077 1 937 175 86 PRO HA H 4.427 0.012 1 938 175 86 PRO HB2 H 1.744 0.002 2 939 175 86 PRO HB3 H 2.137 0.002 2 940 175 86 PRO HG2 H 1.817 0 2 941 175 86 PRO HG3 H 1.891 0 2 942 175 86 PRO HD2 H 3.298 0.009 2 943 175 86 PRO HD3 H 3.535 0.014 2 944 175 86 PRO CA C 61.228 0.039 1 945 175 86 PRO CB C 30.62 0.099 1 946 175 86 PRO CG C 27.22 0.101 1 947 175 86 PRO CD C 50.316 0.05 1 948 176 87 PRO HA H 4.339 0 1 949 176 87 PRO HB2 H 1.837 0 2 950 176 87 PRO HB3 H 2.21 0 2 951 176 87 PRO HG2 H 1.935 0.002 1 952 176 87 PRO HG3 H 1.935 0.002 1 953 176 87 PRO HD2 H 3.458 0.004 2 954 176 87 PRO HD3 H 3.626 0.002 2 955 176 87 PRO C C 175.988 0 1 956 176 87 PRO CA C 62.528 0.015 1 957 176 87 PRO CB C 31.87 0.032 1 958 176 87 PRO CG C 27.32 0.036 1 959 176 87 PRO CD C 50.295 0.074 1 960 177 88 ALA H H 8.307 0.009 1 961 177 88 ALA HA H 4.539 0 1 962 177 88 ALA HB H 1.333 0 1 963 177 88 ALA CA C 50.365 0 1 964 177 88 ALA CB C 18.047 0 1 965 177 88 ALA N N 125.463 0.022 1 966 178 89 PRO HA H 4.415 0.003 1 967 178 89 PRO HB2 H 1.913 0 2 968 178 89 PRO HB3 H 2.296 0 2 969 178 89 PRO HG2 H 2.002 0 1 970 178 89 PRO HG3 H 2.002 0 1 971 178 89 PRO HD2 H 3.623 0.005 2 972 178 89 PRO HD3 H 3.777 0.006 2 973 178 89 PRO C C 176.855 0 1 974 178 89 PRO CA C 62.876 0.063 1 975 178 89 PRO CB C 31.932 0.036 1 976 178 89 PRO CG C 27.525 0.117 1 977 178 89 PRO CD C 50.391 0.057 1 978 179 90 LYS H H 8.419 0.006 1 979 179 90 LYS HA H 4.287 0 1 980 179 90 LYS HB2 H 1.783 0.002 2 981 179 90 LYS HB3 H 1.827 0.004 2 982 179 90 LYS HG2 H 1.455 0 1 983 179 90 LYS HG3 H 1.455 0 1 984 179 90 LYS HD2 H 1.706 0 1 985 179 90 LYS HD3 H 1.706 0 1 986 179 90 LYS HE2 H 2.997 0 1 987 179 90 LYS HE3 H 2.997 0 1 988 179 90 LYS C C 176.659 0 1 989 179 90 LYS CA C 56.379 0.041 1 990 179 90 LYS CB C 33.029 0.058 1 991 179 90 LYS CG C 24.678 0.011 1 992 179 90 LYS CD C 29.085 0.01 1 993 179 90 LYS CE C 42.215 0.002 1 994 179 90 LYS N N 121.487 0.027 1 995 180 91 SER H H 8.377 0.006 1 996 180 91 SER HA H 4.499 0 1 997 180 91 SER HB2 H 3.852 0 1 998 180 91 SER HB3 H 3.852 0 1 999 180 91 SER CA C 58.118 0.095 1 1000 180 91 SER CB C 63.917 0.005 1 1001 180 91 SER N N 116.987 0.022 1 1002 181 92 THR H H 8.157 0.004 1 1003 181 92 THR HA H 4.301 0 1 1004 181 92 THR HB H 4.183 0 1 1005 181 92 THR HG2 H 1.144 0 1 1006 181 92 THR C C 174.252 0 1 1007 181 92 THR CA C 62.008 0 1 1008 181 92 THR CB C 69.664 0 1 1009 181 92 THR CG2 C 22.14 0 1 1010 181 92 THR N N 115.637 0.02 1 1011 182 93 TYR H H 8.135 0.004 1 1012 182 93 TYR HA H 4.565 0 1 1013 182 93 TYR HB2 H 2.934 0 2 1014 182 93 TYR HB3 H 3.045 0 2 1015 182 93 TYR HD1 H 7.101 0.002 3 1016 182 93 TYR HD2 H 7.101 0.002 3 1017 182 93 TYR HE1 H 6.819 0 3 1018 182 93 TYR HE2 H 6.819 0 3 1019 182 93 TYR C C 175.709 0 1 1020 182 93 TYR CA C 57.989 0 1 1021 182 93 TYR CB C 38.725 0.068 1 1022 182 93 TYR CD1 C 133.386 0 1 1023 182 93 TYR CD2 C 133.386 0 1 1024 182 93 TYR CE1 C 118.154 0 1 1025 182 93 TYR CE2 C 118.154 0 1 1026 182 93 TYR N N 121.749 0.019 1 1027 183 94 GLU H H 8.227 0.004 1 1028 183 94 GLU HA H 4.274 0.003 1 1029 183 94 GLU HB2 H 1.912 0 2 1030 183 94 GLU HB3 H 2.027 0 2 1031 183 94 GLU HG2 H 2.226 0.001 1 1032 183 94 GLU HG3 H 2.226 0.001 1 1033 183 94 GLU C C 176.145 0 1 1034 183 94 GLU CA C 56.408 0.022 1 1035 183 94 GLU CB C 30.467 0.072 1 1036 183 94 GLU CG C 36.285 0.034 1 1037 183 94 GLU N N 122.518 0.015 1 1038 184 95 SER H H 8.284 0.004 1 1039 184 95 SER HA H 4.415 0.001 1 1040 184 95 SER HB2 H 3.88 0 1 1041 184 95 SER HB3 H 3.88 0 1 1042 184 95 SER C C 174.42 0 1 1043 184 95 SER CA C 58.355 0.114 1 1044 184 95 SER CB C 63.834 0.045 1 1045 184 95 SER N N 116.709 0.021 1 1046 185 96 ASN H H 8.502 0.003 1 1047 185 96 ASN HA H 4.8 0 1 1048 185 96 ASN HB2 H 2.852 0 1 1049 185 96 ASN HB3 H 2.852 0 1 1050 185 96 ASN HD21 H 6.927 0 2 1051 185 96 ASN HD22 H 7.6 0 2 1052 185 96 ASN C C 175.387 0 1 1053 185 96 ASN CA C 53.381 0 1 1054 185 96 ASN CB C 38.754 0 1 1055 185 96 ASN N N 120.886 0.019 1 1056 185 96 ASN ND2 N 112.66 0.002 1 1057 186 97 THR H H 8.113 0.003 1 1058 186 97 THR HA H 4.325 0 1 1059 186 97 THR HB H 4.241 0.005 1 1060 186 97 THR HG2 H 1.218 0 1 1061 186 97 THR C C 174.335 0 1 1062 186 97 THR CA C 62.018 0 1 1063 186 97 THR CB C 69.721 0.049 1 1064 186 97 THR CG2 C 21.559 0 1 1065 186 97 THR N N 114.308 0.018 1 1066 187 98 LYS H H 8.251 0.004 1 1067 187 98 LYS HA H 4.323 0.003 1 1068 187 98 LYS HB2 H 1.812 0 1 1069 187 98 LYS HB3 H 1.812 0 1 1070 187 98 LYS HG2 H 1.714 0 1 1071 187 98 LYS HG3 H 1.714 0 1 1072 187 98 LYS HD2 H 1.427 0 1 1073 187 98 LYS HD3 H 1.427 0 1 1074 187 98 LYS HE2 H 3.011 0 1 1075 187 98 LYS HE3 H 3.011 0 1 1076 187 98 LYS C C 176.184 0 1 1077 187 98 LYS CA C 56.296 0.118 1 1078 187 98 LYS CB C 32.962 0.003 1 1079 187 98 LYS CG C 24.711 0 1 1080 187 98 LYS CD C 29.2 0 1 1081 187 98 LYS CE C 42.197 0 1 1082 187 98 LYS N N 123.883 0.026 1 1083 188 99 GLN H H 8.386 0.006 1 1084 188 99 GLN HA H 4.36 0 1 1085 188 99 GLN HB2 H 2.008 0.003 2 1086 188 99 GLN HB3 H 2.106 0.006 2 1087 188 99 GLN HG2 H 2.427 0.005 1 1088 188 99 GLN HG3 H 2.427 0.005 1 1089 188 99 GLN HE21 H 6.902 0 2 1090 188 99 GLN HE22 H 7.526 0 2 1091 188 99 GLN C C 175.905 0 1 1092 188 99 GLN CA C 55.63 0.076 1 1093 188 99 GLN CB C 29.624 0.13 1 1094 188 99 GLN CG C 33.756 0.044 1 1095 188 99 GLN N N 122.619 0.029 1 1096 188 99 GLN NE2 N 112.01 0.015 1 1097 189 100 LEU H H 8.459 0.006 1 1098 189 100 LEU HA H 4.468 0 1 1099 189 100 LEU HB2 H 1.422 0.003 2 1100 189 100 LEU HB3 H 1.696 0.007 2 1101 189 100 LEU HG H 1.751 0.007 1 1102 189 100 LEU HD1 H 0.91 0.003 1 1103 189 100 LEU HD2 H 0.868 0.005 1 1104 189 100 LEU C C 176.57 0 1 1105 189 100 LEU CA C 54.811 0.033 1 1106 189 100 LEU CB C 43.542 0.11 1 1107 189 100 LEU CG C 26.906 0.12 1 1108 189 100 LEU CD1 C 25.982 0.061 1 1109 189 100 LEU CD2 C 22.92 0.053 1 1110 189 100 LEU N N 124.41 0.021 1 1111 190 101 SER H H 8.642 0.007 1 1112 190 101 SER HA H 4.737 0 1 1113 190 101 SER HB2 H 3.982 0.001 2 1114 190 101 SER HB3 H 4.178 0.007 2 1115 190 101 SER C C 175.146 0 1 1116 190 101 SER CA C 56.621 0 1 1117 190 101 SER CB C 65.176 0.067 1 1118 190 101 SER N N 116.072 0.018 1 1119 191 102 TYR H H 9.316 0.006 1 1120 191 102 TYR HA H 3.782 0 1 1121 191 102 TYR HB2 H 2.925 0 2 1122 191 102 TYR HB3 H 3.111 0 2 1123 191 102 TYR HD1 H 6.627 0.005 3 1124 191 102 TYR HD2 H 6.627 0.005 3 1125 191 102 TYR HE1 H 6.482 0 3 1126 191 102 TYR HE2 H 6.482 0 3 1127 191 102 TYR C C 175.344 0 1 1128 191 102 TYR CA C 62.804 0 1 1129 191 102 TYR CB C 38.239 0.06 1 1130 191 102 TYR CD1 C 132.319 0 1 1131 191 102 TYR CD2 C 132.319 0 1 1132 191 102 TYR CE1 C 117.829 0 1 1133 191 102 TYR CE2 C 117.829 0 1 1134 191 102 TYR N N 126.261 0.055 1 1135 192 103 ASP H H 8.406 0.003 1 1136 192 103 ASP HA H 4.118 0 1 1137 192 103 ASP HB2 H 2.555 0.003 2 1138 192 103 ASP HB3 H 2.614 0 2 1139 192 103 ASP C C 177.732 0 1 1140 192 103 ASP CA C 57.134 0.013 1 1141 192 103 ASP CB C 40.534 0.086 1 1142 192 103 ASP N N 116.143 0.023 1 1143 193 104 GLU H H 7.347 0.004 1 1144 193 104 GLU HA H 4.184 0.003 1 1145 193 104 GLU HB2 H 2.096 0 2 1146 193 104 GLU HB3 H 2.195 0 2 1147 193 104 GLU HG2 H 2.229 0 2 1148 193 104 GLU HG3 H 2.312 0 2 1149 193 104 GLU C C 178.809 0 1 1150 193 104 GLU CA C 58.529 0.029 1 1151 193 104 GLU CB C 30.218 0 1 1152 193 104 GLU CG C 36.71 0.069 1 1153 193 104 GLU N N 116.988 0.025 1 1154 194 105 VAL H H 8.226 0.004 1 1155 194 105 VAL HA H 3.847 0 1 1156 194 105 VAL HB H 1.821 0 1 1157 194 105 VAL HG1 H 0.893 0 1 1158 194 105 VAL HG2 H 1.037 0.001 1 1159 194 105 VAL C C 180.157 0 1 1160 194 105 VAL CA C 66.246 0.02 1 1161 194 105 VAL CB C 32.381 0.018 1 1162 194 105 VAL CG1 C 22.014 0.046 1 1163 194 105 VAL CG2 C 24.389 0.046 1 1164 194 105 VAL N N 120.479 0.038 1 1165 195 106 VAL H H 8.895 0.004 1 1166 195 106 VAL HA H 3.763 0 1 1167 195 106 VAL HB H 1.285 0 1 1168 195 106 VAL HG1 H 0.762 0 1 1169 195 106 VAL HG2 H 0.952 0.002 1 1170 195 106 VAL C C 176.053 0 1 1171 195 106 VAL CA C 65.425 0.024 1 1172 195 106 VAL CB C 31.277 0.054 1 1173 195 106 VAL CG1 C 20.035 0.027 1 1174 195 106 VAL CG2 C 23.56 0.029 1 1175 195 106 VAL N N 119.497 0.013 1 1176 196 107 ASN H H 7.095 0.009 1 1177 196 107 ASN HA H 5.089 0.008 1 1178 196 107 ASN HB2 H 2.685 0.002 2 1179 196 107 ASN HB3 H 3.01 0.002 2 1180 196 107 ASN HD21 H 6.954 0.003 2 1181 196 107 ASN HD22 H 7.71 0.003 2 1182 196 107 ASN C C 175.311 0 1 1183 196 107 ASN CA C 53.506 0.074 1 1184 196 107 ASN CB C 39.807 0.155 1 1185 196 107 ASN N N 116.913 0.03 1 1186 196 107 ASN ND2 N 114.892 0.161 1 1187 197 108 GLN H H 7.659 0.003 1 1188 197 108 GLN HA H 4.28 0 1 1189 197 108 GLN HB2 H 2.395 0 1 1190 197 108 GLN HB3 H 2.395 0 1 1191 197 108 GLN HG2 H 2.534 0.003 2 1192 197 108 GLN HG3 H 2.842 0.005 2 1193 197 108 GLN HE21 H 6.596 0 2 1194 197 108 GLN HE22 H 7.491 0 2 1195 197 108 GLN C C 174.809 0 1 1196 197 108 GLN CA C 56.581 0.022 1 1197 197 108 GLN CB C 29.734 0.036 1 1198 197 108 GLN CG C 34.402 0.051 1 1199 197 108 GLN N N 118.556 0.016 1 1200 197 108 GLN NE2 N 109.835 0 1 1201 198 109 SER H H 7.15 0.003 1 1202 198 109 SER HA H 4.193 0 1 1203 198 109 SER HB2 H 2.406 0.001 2 1204 198 109 SER HB3 H 3.235 0 2 1205 198 109 SER C C 172.76 0 1 1206 198 109 SER CA C 55.58 0.029 1 1207 198 109 SER CB C 64.828 0.092 1 1208 198 109 SER N N 109.897 0.024 1 1209 199 110 SER H H 8.067 0.002 1 1210 199 110 SER HA H 4.505 0 1 1211 199 110 SER HB2 H 3.7 0 2 1212 199 110 SER HB3 H 3.968 0 2 1213 199 110 SER CA C 56.188 0 1 1214 199 110 SER CB C 63.205 0 1 1215 199 110 SER N N 115.895 0.033 1 1216 200 111 PRO HA H 2.847 0 1 1217 200 111 PRO HB2 H 1.761 0 2 1218 200 111 PRO HB3 H 2.144 0 2 1219 200 111 PRO HG2 H 1.776 0 2 1220 200 111 PRO HG3 H 1.907 0 2 1221 200 111 PRO HD2 H 3.696 0.006 1 1222 200 111 PRO HD3 H 3.696 0.006 1 1223 200 111 PRO C C 176.144 0 1 1224 200 111 PRO CA C 64.145 0 1 1225 200 111 PRO CB C 31.318 0.15 1 1226 200 111 PRO CG C 27.807 0 1 1227 200 111 PRO CD C 51.746 0.047 1 1228 201 112 SER H H 7.385 0.002 1 1229 201 112 SER HA H 4.29 0 1 1230 201 112 SER HB2 H 3.792 0 2 1231 201 112 SER HB3 H 3.876 0 2 1232 201 112 SER C C 174.889 0 1 1233 201 112 SER CA C 58.426 0 1 1234 201 112 SER CB C 63.343 0 1 1235 201 112 SER N N 108.152 0.021 1 1236 202 113 ASN H H 8.05 0.003 1 1237 202 113 ASN HA H 4.691 0 1 1238 202 113 ASN HB2 H 2.667 0 2 1239 202 113 ASN HB3 H 2.8 0 2 1240 202 113 ASN HD21 H 7.262 0 2 1241 202 113 ASN HD22 H 7.291 0 2 1242 202 113 ASN C C 176.514 0 1 1243 202 113 ASN CA C 53.757 0 1 1244 202 113 ASN CB C 37.703 0 1 1245 202 113 ASN N N 122.412 0.023 1 1246 202 113 ASN ND2 N 109.574 0.011 1 1247 203 114 CYS H H 9.583 0.004 1 1248 203 114 CYS HA H 4.924 0 1 1249 203 114 CYS HB2 H 2.855 0 2 1250 203 114 CYS HB3 H 3.239 0 2 1251 203 114 CYS C C 174.176 0 1 1252 203 114 CYS CA C 58.017 0 1 1253 203 114 CYS CB C 31.107 0 1 1254 203 114 CYS N N 125.846 0.033 1 1255 204 115 THR H H 8.876 0.002 1 1256 204 115 THR HA H 5.135 0 1 1257 204 115 THR HB H 4.199 0 1 1258 204 115 THR HG2 H 1.137 0 1 1259 204 115 THR C C 172.689 0 1 1260 204 115 THR CA C 63.582 0 1 1261 204 115 THR CB C 69.7 0 1 1262 204 115 THR CG2 C 22.251 0 1 1263 204 115 THR N N 120.417 0.016 1 1264 205 116 VAL H H 9.36 0.004 1 1265 205 116 VAL HA H 4.267 0 1 1266 205 116 VAL HB H 1.816 0 1 1267 205 116 VAL HG1 H 0.608 0.002 1 1268 205 116 VAL HG2 H 0.747 0.005 1 1269 205 116 VAL C C 174.423 0 1 1270 205 116 VAL CA C 60.66 0.043 1 1271 205 116 VAL CB C 34.283 0.197 1 1272 205 116 VAL CG1 C 21.728 0.037 1 1273 205 116 VAL CG2 C 22.379 0.043 1 1274 205 116 VAL N N 126.183 0.041 1 1275 206 117 TYR H H 9.03 0.004 1 1276 206 117 TYR HA H 4.942 0 1 1277 206 117 TYR HB2 H 2.308 0 2 1278 206 117 TYR HB3 H 2.494 0 2 1279 206 117 TYR HD1 H 6.351 0.001 3 1280 206 117 TYR HD2 H 6.351 0.001 3 1281 206 117 TYR HE1 H 6.042 0 3 1282 206 117 TYR HE2 H 6.042 0 3 1283 206 117 TYR C C 173.666 0 1 1284 206 117 TYR CA C 56.629 0 1 1285 206 117 TYR CB C 39.879 0.063 1 1286 206 117 TYR CD1 C 132.952 0 1 1287 206 117 TYR CD2 C 132.952 0 1 1288 206 117 TYR CE1 C 117.721 0 1 1289 206 117 TYR CE2 C 117.721 0 1 1290 206 117 TYR N N 126.438 0.034 1 1291 207 118 CYS H H 8.399 0.005 1 1292 207 118 CYS HA H 5.217 0.003 1 1293 207 118 CYS HB2 H 2.491 0 2 1294 207 118 CYS HB3 H 2.68 0 2 1295 207 118 CYS C C 173.164 0 1 1296 207 118 CYS CA C 56.883 0.047 1 1297 207 118 CYS CB C 28.497 0 1 1298 207 118 CYS N N 127.771 0.019 1 1299 208 119 GLY H H 9.383 0.002 1 1300 208 119 GLY HA2 H 3.827 0.005 2 1301 208 119 GLY HA3 H 5.028 0 2 1302 208 119 GLY C C 172.772 0 1 1303 208 119 GLY CA C 43.474 0.207 1 1304 208 119 GLY N N 116.31 0.022 1 1305 209 120 GLY H H 8.098 0.002 1 1306 209 120 GLY HA2 H 3.759 0 2 1307 209 120 GLY HA3 H 4.759 0 2 1308 209 120 GLY C C 175.178 0 1 1309 209 120 GLY CA C 44.575 0 1 1310 209 120 GLY N N 105.295 0.035 1 1311 210 121 VAL H H 8.235 0.023 1 1312 210 121 VAL HA H 3.716 0 1 1313 210 121 VAL HB H 2.017 0 1 1314 210 121 VAL HG1 H 0.677 0.016 1 1315 210 121 VAL HG2 H 0.658 0.005 1 1316 210 121 VAL C C 175.09 0 1 1317 210 121 VAL CA C 60.729 0.022 1 1318 210 121 VAL CB C 28.7 0.071 1 1319 210 121 VAL CG1 C 22.573 0.077 1 1320 210 121 VAL CG2 C 20.98 0.029 1 1321 210 121 VAL N N 122.52 0.083 1 1322 211 122 THR H H 6.669 0.004 1 1323 211 122 THR HA H 3.784 0.004 1 1324 211 122 THR HB H 4.228 0.006 1 1325 211 122 THR HG2 H 1.141 0 1 1326 211 122 THR C C 173.764 0 1 1327 211 122 THR CA C 63.643 0.075 1 1328 211 122 THR CB C 68.03 0.001 1 1329 211 122 THR CG2 C 22.196 0 1 1330 211 122 THR N N 113.335 0.139 1 1331 212 123 SER H H 7.098 0.004 1 1332 212 123 SER HA H 4.616 0 1 1333 212 123 SER HB2 H 3.926 0 1 1334 212 123 SER HB3 H 3.926 0 1 1335 212 123 SER C C 173.441 0 1 1336 212 123 SER CA C 57.942 0 1 1337 212 123 SER CB C 65.215 0 1 1338 212 123 SER N N 114.241 0.035 1 1339 213 124 GLY H H 8.59 0.004 1 1340 213 124 GLY HA2 H 3.692 0 2 1341 213 124 GLY HA3 H 4.011 0 2 1342 213 124 GLY C C 174.21 0 1 1343 213 124 GLY CA C 45.578 0 1 1344 213 124 GLY N N 106.902 0.077 1 1345 214 125 LEU H H 8.039 0.004 1 1346 214 125 LEU HA H 3.969 0 1 1347 214 125 LEU HB2 H 1.388 0.004 2 1348 214 125 LEU HB3 H 1.799 0.002 2 1349 214 125 LEU HG H 1.136 0 1 1350 214 125 LEU HD1 H 0.873 0.003 1 1351 214 125 LEU HD2 H 0.583 0.003 1 1352 214 125 LEU C C 175.331 0 1 1353 214 125 LEU CA C 56.925 0.023 1 1354 214 125 LEU CB C 40.935 0.057 1 1355 214 125 LEU CG C 26.893 0 1 1356 214 125 LEU CD1 C 23.01 0.017 1 1357 214 125 LEU CD2 C 26.392 0.021 1 1358 214 125 LEU N N 119.146 0.029 1 1359 215 126 THR H H 6.73 0.004 1 1360 215 126 THR HA H 4.634 0 1 1361 215 126 THR HB H 4.631 0 1 1362 215 126 THR HG2 H 1.172 0 1 1363 215 126 THR C C 174.37 0 1 1364 215 126 THR CA C 58.68 0 1 1365 215 126 THR CB C 73.251 0 1 1366 215 126 THR CG2 C 21.058 0 1 1367 215 126 THR N N 114.805 0.036 1 1368 216 127 GLU H H 9.373 0.003 1 1369 216 127 GLU HA H 3.642 0 1 1370 216 127 GLU HB2 H 1.974 0 2 1371 216 127 GLU HB3 H 2.044 0 2 1372 216 127 GLU HG2 H 2.103 0 2 1373 216 127 GLU HG3 H 2.203 0 2 1374 216 127 GLU C C 178.016 0 1 1375 216 127 GLU CA C 60.383 0.005 1 1376 216 127 GLU CB C 28.979 0.003 1 1377 216 127 GLU CG C 36.53 0.079 1 1378 216 127 GLU N N 122.658 0.02 1 1379 217 128 GLN H H 8.631 0.004 1 1380 217 128 GLN HA H 3.998 0 1 1381 217 128 GLN HB2 H 1.945 0 2 1382 217 128 GLN HB3 H 2.148 0 2 1383 217 128 GLN HG3 H 2.442 0 2 1384 217 128 GLN HE21 H 6.913 0 2 1385 217 128 GLN HE22 H 7.599 0 2 1386 217 128 GLN C C 177.841 0 1 1387 217 128 GLN CA C 59.199 0 1 1388 217 128 GLN CB C 27.581 0 1 1389 217 128 GLN N N 119.097 0.022 1 1390 217 128 GLN NE2 N 112.755 0.008 1 1391 218 129 LEU H H 8.201 0.002 1 1392 218 129 LEU HA H 4.229 0.005 1 1393 218 129 LEU HB2 H 1.808 0.011 2 1394 218 129 LEU HB3 H 1.893 0.008 2 1395 218 129 LEU HG H 1.336 0.004 1 1396 218 129 LEU HD1 H 0.956 0.002 1 1397 218 129 LEU HD2 H 0.961 0 1 1398 218 129 LEU C C 181.196 0 1 1399 218 129 LEU CA C 57.562 0.121 1 1400 218 129 LEU CB C 42.574 0.088 1 1401 218 129 LEU CG C 27.056 0.107 1 1402 218 129 LEU CD1 C 22.326 0.033 1 1403 218 129 LEU CD2 C 21.216 0 1 1404 218 129 LEU N N 121.528 0.025 1 1405 219 130 MET H H 7.666 0.003 1 1406 219 130 MET HA H 4.594 0 1 1407 219 130 MET HB2 H 1.759 0 2 1408 219 130 MET HB3 H 2.512 0 2 1409 219 130 MET HG2 H 2.422 0 2 1410 219 130 MET HG3 H 2.867 0 2 1411 219 130 MET HE H 2.018 0 1 1412 219 130 MET C C 177.882 0 1 1413 219 130 MET CA C 57.276 0 1 1414 219 130 MET CB C 36.491 0 1 1415 219 130 MET CE C 19.92 0 1 1416 219 130 MET N N 118.544 0.018 1 1417 220 131 ARG H H 8.995 0.003 1 1418 220 131 ARG HA H 3.795 0 1 1419 220 131 ARG HB2 H 1.852 0 1 1420 220 131 ARG HB3 H 1.921 0 2 1421 220 131 ARG HG2 H 1.576 0 2 1422 220 131 ARG HG3 H 1.576 0 1 1423 220 131 ARG HD2 H 3.156 0 2 1424 220 131 ARG HD3 H 3.346 0 2 1425 220 131 ARG C C 179.17 0 1 1426 220 131 ARG CA C 60.727 0 1 1427 220 131 ARG CB C 29.44 0 1 1428 220 131 ARG CD C 42.521 0.005 1 1429 220 131 ARG N N 123.117 0.022 1 1430 221 132 GLN H H 8.7 0.002 1 1431 221 132 GLN HA H 4.084 0 1 1432 221 132 GLN HB2 H 2.138 0 1 1433 221 132 GLN HB3 H 2.264 0 2 1434 221 132 GLN HG2 H 2.45 0 2 1435 221 132 GLN HG3 H 2.45 0 1 1436 221 132 GLN HE21 H 6.835 0 2 1437 221 132 GLN HE22 H 7.478 0 2 1438 221 132 GLN C C 177.996 0 1 1439 221 132 GLN CA C 58.744 0 1 1440 221 132 GLN CB C 28.682 0 1 1441 221 132 GLN N N 119.482 0.038 1 1442 221 132 GLN NE2 N 111.407 0.002 1 1443 222 133 THR H H 7.747 0.003 1 1444 222 133 THR HA H 3.76 0.004 1 1445 222 133 THR HB H 4.075 0.008 1 1446 222 133 THR HG2 H 0.457 0 1 1447 222 133 THR C C 174.783 0 1 1448 222 133 THR CA C 66.475 0.031 1 1449 222 133 THR CB C 69.669 0.08 1 1450 222 133 THR CG2 C 20.45 0 1 1451 222 133 THR N N 113.839 0.026 1 1452 223 134 PHE H H 8.29 0.002 1 1453 223 134 PHE HA H 5.145 0 1 1454 223 134 PHE HB2 H 2.967 0 2 1455 223 134 PHE HB3 H 3.593 0 2 1456 223 134 PHE HD1 H 7.738 0.01 3 1457 223 134 PHE HD2 H 7.738 0.01 3 1458 223 134 PHE HE1 H 6.844 0 3 1459 223 134 PHE HE2 H 6.844 0 3 1460 223 134 PHE C C 176.018 0 1 1461 223 134 PHE CA C 61.427 0 1 1462 223 134 PHE CB C 40.207 0.077 1 1463 223 134 PHE CD1 C 131.965 0 1 1464 223 134 PHE CD2 C 131.965 0 1 1465 223 134 PHE CE1 C 130.675 0 1 1466 223 134 PHE CE2 C 130.675 0 1 1467 223 134 PHE N N 113.872 0.024 1 1468 224 135 SER H H 8.443 0.004 1 1469 224 135 SER HA H 4.617 0 1 1470 224 135 SER HB2 H 4.181 0 1 1471 224 135 SER HB3 H 4.181 0 1 1472 224 135 SER CA C 62.91 0 1 1473 224 135 SER CB C 62.881 0 1 1474 224 135 SER N N 118.855 0.03 1 1475 225 136 PRO HA H 4.167 0.004 1 1476 225 136 PRO HB2 H 0.344 0.007 1 1477 225 136 PRO HB3 H 0.344 0.007 1 1478 225 136 PRO HG2 H 1.677 0.018 2 1479 225 136 PRO HG3 H 1.976 0 2 1480 225 136 PRO HD2 H 3.1 0.008 2 1481 225 136 PRO HD3 H 3.761 0.004 2 1482 225 136 PRO C C 177.396 0 1 1483 225 136 PRO CA C 65.26 0.047 1 1484 225 136 PRO CB C 31.453 0.114 1 1485 225 136 PRO CG C 27.791 0.14 1 1486 225 136 PRO CD C 51.857 0.051 1 1487 226 137 PHE H H 7.457 0.003 1 1488 226 137 PHE HA H 4.294 0 1 1489 226 137 PHE HB2 H 2.886 0 2 1490 226 137 PHE HB3 H 3.35 0 2 1491 226 137 PHE HD1 H 7.497 0.002 3 1492 226 137 PHE HD2 H 7.497 0.002 3 1493 226 137 PHE HE1 H 7.398 0 3 1494 226 137 PHE HE2 H 7.398 0 3 1495 226 137 PHE C C 175.425 0 1 1496 226 137 PHE CA C 59.062 0 1 1497 226 137 PHE CB C 39.34 0.124 1 1498 226 137 PHE CD1 C 129.489 0 1 1499 226 137 PHE CD2 C 129.489 0 1 1500 226 137 PHE CE1 C 130.247 0 1 1501 226 137 PHE CE2 C 130.247 0 1 1502 226 137 PHE N N 111.037 0.018 1 1503 227 138 GLY H H 7.704 0.003 1 1504 227 138 GLY HA2 H 4.042 0 2 1505 227 138 GLY HA3 H 4.43 0 2 1506 227 138 GLY C C 170.556 0 1 1507 227 138 GLY CA C 45.007 0 1 1508 227 138 GLY N N 106.014 0.018 1 1509 228 139 GLN H H 8.458 0.005 1 1510 228 139 GLN HA H 4.332 0 1 1511 228 139 GLN HB2 H 2.019 0 1 1512 228 139 GLN HB3 H 2.019 0 1 1513 228 139 GLN HG2 H 2.285 0 2 1514 228 139 GLN HG3 H 2.379 0 2 1515 228 139 GLN HE21 H 6.876 0 2 1516 228 139 GLN HE22 H 7.442 0 2 1517 228 139 GLN C C 175.168 0 1 1518 228 139 GLN CA C 55.901 0 1 1519 228 139 GLN CB C 28.843 0 1 1520 228 139 GLN N N 119.012 0.012 1 1521 228 139 GLN NE2 N 111.65 0.001 1 1522 229 140 ILE H H 8.684 0.007 1 1523 229 140 ILE HA H 3.659 0 1 1524 229 140 ILE HB H 1.61 0 1 1525 229 140 ILE HG12 H 0.119 0 2 1526 229 140 ILE HG13 H 1.7 0 2 1527 229 140 ILE HG2 H 0.529 0.001 1 1528 229 140 ILE HD1 H 0.708 0.006 1 1529 229 140 ILE C C 176.469 0 1 1530 229 140 ILE CA C 61.785 0.034 1 1531 229 140 ILE CB C 38.591 0.018 1 1532 229 140 ILE CG1 C 28.067 0.022 1 1533 229 140 ILE CG2 C 17.717 0.054 1 1534 229 140 ILE CD1 C 14.299 0.03 1 1535 229 140 ILE N N 127.533 0.021 1 1536 230 141 MET H H 9.451 0.004 1 1537 230 141 MET HA H 4.707 0 1 1538 230 141 MET HB2 H 1.475 0 2 1539 230 141 MET HB3 H 2.09 0 2 1540 230 141 MET HG2 H 2.239 0 2 1541 230 141 MET HG3 H 2.576 0 2 1542 230 141 MET HE H 2.096 0 1 1543 230 141 MET C C 176.718 0 1 1544 230 141 MET CA C 54.065 0 1 1545 230 141 MET CB C 31.967 0 1 1546 230 141 MET CE C 16.291 0 1 1547 230 141 MET N N 125.804 0.022 1 1548 231 142 GLU H H 7.431 0.003 1 1549 231 142 GLU HA H 4.39 0 1 1550 231 142 GLU HB2 H 1.835 0 2 1551 231 142 GLU HB3 H 2.116 0 2 1552 231 142 GLU HG2 H 1.99 0 2 1553 231 142 GLU HG3 H 2.28 0 2 1554 231 142 GLU C C 173.084 0 1 1555 231 142 GLU CA C 56.207 0 1 1556 231 142 GLU CB C 33.127 0 1 1557 231 142 GLU N N 118.735 0.035 1 1558 232 143 ILE H H 8.688 0.006 1 1559 232 143 ILE HA H 4.685 0 1 1560 232 143 ILE HB H 1.56 0 1 1561 232 143 ILE HG12 H 0.795 0.003 2 1562 232 143 ILE HG13 H 1.517 0 2 1563 232 143 ILE HG2 H 0.714 0 1 1564 232 143 ILE HD1 H 0.8 0.005 1 1565 232 143 ILE C C 174.534 0 1 1566 232 143 ILE CA C 60.617 0 1 1567 232 143 ILE CB C 41.337 0.073 1 1568 232 143 ILE CG1 C 28.438 0.083 1 1569 232 143 ILE CG2 C 17.781 0.061 1 1570 232 143 ILE CD1 C 13.891 0.044 1 1571 232 143 ILE N N 125.55 0.027 1 1572 233 144 ARG H H 8.804 0.002 1 1573 233 144 ARG HA H 4.7 0 1 1574 233 144 ARG HB2 H 1.745 0 1 1575 233 144 ARG HB3 H 1.745 0 1 1576 233 144 ARG HG2 H 1.608 0 1 1577 233 144 ARG HG3 H 1.608 0 1 1578 233 144 ARG HD2 H 3.27 0 2 1579 233 144 ARG HD3 H 3.368 0 2 1580 233 144 ARG C C 175.488 0 1 1581 233 144 ARG CA C 54.184 0 1 1582 233 144 ARG CB C 33.211 0 1 1583 233 144 ARG CD C 43.383 0.003 1 1584 233 144 ARG N N 126.173 0.02 1 1585 234 145 VAL H H 8.681 0.004 1 1586 234 145 VAL HA H 4.412 0 1 1587 234 145 VAL HB H 1.646 0 1 1588 234 145 VAL HG1 H 0.608 0.001 1 1589 234 145 VAL HG2 H 0.732 0.003 1 1590 234 145 VAL C C 173.632 0 1 1591 234 145 VAL CA C 60.061 0.078 1 1592 234 145 VAL CB C 34.491 0.028 1 1593 234 145 VAL CG1 C 21.767 0.066 1 1594 234 145 VAL CG2 C 19.13 0.019 1 1595 234 145 VAL N N 118.486 0.03 1 1596 235 146 PHE H H 8.016 0.003 1 1597 235 146 PHE HA H 4.851 0 1 1598 235 146 PHE HB2 H 2.206 0 2 1599 235 146 PHE HB3 H 2.557 0 2 1600 235 146 PHE HD1 H 6.88 0.004 3 1601 235 146 PHE HD2 H 6.88 0.004 3 1602 235 146 PHE HE1 H 7.176 0 3 1603 235 146 PHE HE2 H 7.176 0 3 1604 235 146 PHE CA C 54.599 0.011 1 1605 235 146 PHE CB C 37.341 0.052 1 1606 235 146 PHE CD1 C 132.953 0 1 1607 235 146 PHE CD2 C 132.953 0 1 1608 235 146 PHE CE1 C 130.39 0 1 1609 235 146 PHE CE2 C 130.39 0 1 1610 235 146 PHE N N 120.302 0.035 1 1611 236 147 PRO HA H 4.114 0 1 1612 236 147 PRO HB2 H 2.085 0 2 1613 236 147 PRO HB3 H 2.476 0 2 1614 236 147 PRO HG2 H 1.752 0 2 1615 236 147 PRO HG3 H 2.159 0 2 1616 236 147 PRO HD2 H 3.353 0.009 2 1617 236 147 PRO HD3 H 3.813 0 2 1618 236 147 PRO C C 178.002 0 1 1619 236 147 PRO CA C 65.967 0 1 1620 236 147 PRO CB C 31.929 0.011 1 1621 236 147 PRO CG C 27.526 0 1 1622 236 147 PRO CD C 50.293 0.039 1 1623 237 148 ASP H H 8.949 0.005 1 1624 237 148 ASP HA H 4.421 0.001 1 1625 237 148 ASP HB2 H 2.706 0 2 1626 237 148 ASP HB3 H 2.764 0.005 2 1627 237 148 ASP C C 176.722 0 1 1628 237 148 ASP CA C 55.64 0.051 1 1629 237 148 ASP CB C 39.178 0.126 1 1630 237 148 ASP N N 115.029 0.013 1 1631 238 149 LYS H H 7.351 0.003 1 1632 238 149 LYS HA H 4.572 0 1 1633 238 149 LYS HB2 H 1.517 0 1 1634 238 149 LYS HB3 H 2.202 0 2 1635 238 149 LYS HG2 H 1.553 0 2 1636 238 149 LYS HG3 H 1.553 0 1 1637 238 149 LYS HD2 H 1.756 0 1 1638 238 149 LYS HD3 H 1.756 0 1 1639 238 149 LYS HE2 H 3.026 0 1 1640 238 149 LYS HE3 H 3.026 0 1 1641 238 149 LYS C C 177.412 0 1 1642 238 149 LYS CA C 54.909 0 1 1643 238 149 LYS CB C 34.907 0 1 1644 238 149 LYS N N 116.658 0.036 1 1645 239 150 GLY H H 7.867 0.003 1 1646 239 150 GLY HA2 H 3.733 0 1 1647 239 150 GLY HA3 H 3.733 0 1 1648 239 150 GLY C C 172.439 0 1 1649 239 150 GLY CA C 46.678 0.01 1 1650 239 150 GLY N N 107.403 0.027 1 1651 240 151 TYR H H 7.047 0.008 1 1652 240 151 TYR HA H 5.819 0.007 1 1653 240 151 TYR HB2 H 2.536 0 2 1654 240 151 TYR HB3 H 2.77 0 2 1655 240 151 TYR HD1 H 6.53 0.002 3 1656 240 151 TYR HD2 H 6.53 0.002 3 1657 240 151 TYR HE1 H 6.303 0 3 1658 240 151 TYR HE2 H 6.303 0 3 1659 240 151 TYR C C 171.953 0 1 1660 240 151 TYR CA C 54.342 0.056 1 1661 240 151 TYR CB C 42.26 0.035 1 1662 240 151 TYR CD1 C 133.346 0 1 1663 240 151 TYR CD2 C 133.346 0 1 1664 240 151 TYR CE1 C 118.365 0 1 1665 240 151 TYR CE2 C 118.365 0 1 1666 240 151 TYR N N 113.234 0.026 1 1667 241 152 SER H H 8.552 0.005 1 1668 241 152 SER HA H 5.188 0 1 1669 241 152 SER HB2 H 3.507 0 1 1670 241 152 SER HB3 H 3.507 0 1 1671 241 152 SER C C 172.548 0 1 1672 241 152 SER CA C 55.136 0.006 1 1673 241 152 SER CB C 67.732 0.221 1 1674 241 152 SER N N 113.381 0.03 1 1675 242 153 PHE H H 8.674 0.005 1 1676 242 153 PHE HA H 5.82 0.003 1 1677 242 153 PHE HB2 H 2.813 0 1 1678 242 153 PHE HB3 H 2.813 0 1 1679 242 153 PHE HD1 H 7.28 0.005 3 1680 242 153 PHE HD2 H 7.28 0.005 3 1681 242 153 PHE HE1 H 7.584 0 3 1682 242 153 PHE HE2 H 7.584 0 3 1683 242 153 PHE HZ H 7.283 0 1 1684 242 153 PHE C C 175.155 0 1 1685 242 153 PHE CA C 55.818 0.103 1 1686 242 153 PHE CB C 42.465 0.02 1 1687 242 153 PHE CD1 C 131.43 0 1 1688 242 153 PHE CD2 C 131.43 0 1 1689 242 153 PHE CE1 C 131.697 0 1 1690 242 153 PHE CE2 C 131.697 0 1 1691 242 153 PHE CZ C 132.678 0 1 1692 242 153 PHE N N 119.703 0.009 1 1693 243 154 VAL H H 9.116 0.003 1 1694 243 154 VAL HA H 4.269 0 1 1695 243 154 VAL HB H 1.212 0 1 1696 243 154 VAL HG1 H 0.016 0.003 1 1697 243 154 VAL HG2 H 0.426 0.012 1 1698 243 154 VAL C C 173.083 0 1 1699 243 154 VAL CA C 61.253 0.072 1 1700 243 154 VAL CB C 34.005 0.047 1 1701 243 154 VAL CG1 C 20.878 0.063 1 1702 243 154 VAL CG2 C 20.355 0.177 1 1703 243 154 VAL N N 123.707 0.031 1 1704 244 155 ARG H H 8.948 0.003 1 1705 244 155 ARG HA H 5.167 0 1 1706 244 155 ARG HB2 H 1.564 0 1 1707 244 155 ARG HB3 H 1.943 0 2 1708 244 155 ARG HG2 H 1.442 0 2 1709 244 155 ARG HG3 H 1.442 0 1 1710 244 155 ARG HD2 H 3.074 0 2 1711 244 155 ARG HD3 H 3.421 0 2 1712 244 155 ARG C C 175.835 0 1 1713 244 155 ARG CA C 54.916 0 1 1714 244 155 ARG CB C 33.52 0 1 1715 244 155 ARG N N 128.41 0.017 1 1716 245 156 PHE H H 8.998 0.004 1 1717 245 156 PHE HA H 5.368 0.004 1 1718 245 156 PHE HB2 H 3.243 0 2 1719 245 156 PHE HB3 H 3.644 0.003 2 1720 245 156 PHE HD1 H 7.117 0.004 3 1721 245 156 PHE HD2 H 7.117 0.004 3 1722 245 156 PHE HE1 H 7.403 0 3 1723 245 156 PHE HE2 H 7.403 0 3 1724 245 156 PHE C C 174.622 0 1 1725 245 156 PHE CA C 58.181 0.015 1 1726 245 156 PHE CB C 42.691 0.028 1 1727 245 156 PHE CD1 C 131.698 0 1 1728 245 156 PHE CD2 C 131.698 0 1 1729 245 156 PHE CE1 C 131.865 0 1 1730 245 156 PHE CE2 C 131.865 0 1 1731 245 156 PHE N N 126.351 0.021 1 1732 246 157 ASN H H 8.613 0.004 1 1733 246 157 ASN HA H 4.825 0 1 1734 246 157 ASN HB2 H 3.016 0 2 1735 246 157 ASN HB3 H 3.222 0 2 1736 246 157 ASN HD21 H 7.078 0 2 1737 246 157 ASN HD22 H 7.683 0 2 1738 246 157 ASN C C 174.833 0 1 1739 246 157 ASN CA C 53.497 0 1 1740 246 157 ASN CB C 38.942 0 1 1741 246 157 ASN N N 115.957 0.048 1 1742 246 157 ASN ND2 N 112.324 0.003 1 1743 247 158 SER H H 7.425 0.004 1 1744 247 158 SER HA H 5.095 0.004 1 1745 247 158 SER HB2 H 3.973 0.005 2 1746 247 158 SER HB3 H 4.41 0.003 2 1747 247 158 SER C C 174.009 0 1 1748 247 158 SER CA C 56.643 0.045 1 1749 247 158 SER CB C 66.615 0.103 1 1750 247 158 SER N N 110.911 0.033 1 1751 248 159 HIS H H 9.384 0.002 1 1752 248 159 HIS HA H 4.674 0 1 1753 248 159 HIS HB2 H 3.266 0 2 1754 248 159 HIS HB3 H 3.526 0 2 1755 248 159 HIS HD2 H 7.317 0.001 1 1756 248 159 HIS HE1 H 7.552 0 1 1757 248 159 HIS C C 176.628 0 1 1758 248 159 HIS CA C 58.865 0 1 1759 248 159 HIS CB C 29.143 0.038 1 1760 248 159 HIS CD2 C 119.584 0 1 1761 248 159 HIS CE1 C 138.194 0 1 1762 248 159 HIS N N 125.829 0.032 1 1763 249 160 GLU H H 9.151 0.004 1 1764 249 160 GLU HA H 4.099 0 1 1765 249 160 GLU HB2 H 2.265 0 1 1766 249 160 GLU HB3 H 2.265 0 1 1767 249 160 GLU HG2 H 2.495 0 2 1768 249 160 GLU HG3 H 2.666 0 2 1769 249 160 GLU C C 178.795 0 1 1770 249 160 GLU CA C 60.821 0 1 1771 249 160 GLU CB C 28.971 0 1 1772 249 160 GLU CG C 37.609 0.013 1 1773 249 160 GLU N N 119.198 0.029 1 1774 250 161 SER H H 7.947 0.003 1 1775 250 161 SER HA H 4.276 0 1 1776 250 161 SER HB2 H 3.304 0.005 2 1777 250 161 SER HB3 H 3.67 0.003 2 1778 250 161 SER C C 174.409 0 1 1779 250 161 SER CA C 62.872 0 1 1780 250 161 SER CB C 62.689 0.003 1 1781 250 161 SER N N 116.669 0.05 1 1782 251 162 ALA H H 6.769 0.005 1 1783 251 162 ALA HA H 3.297 0.002 1 1784 251 162 ALA HB H 1.444 0.002 1 1785 251 162 ALA C C 177.23 0 1 1786 251 162 ALA CA C 54.381 0.06 1 1787 251 162 ALA CB C 18.881 0.033 1 1788 251 162 ALA N N 121.401 0.039 1 1789 252 163 ALA H H 8.003 0.003 1 1790 252 163 ALA HA H 3.406 0.003 1 1791 252 163 ALA HB H 1.287 0 1 1792 252 163 ALA C C 179.076 0 1 1793 252 163 ALA CA C 54.714 0.034 1 1794 252 163 ALA CB C 18.94 0.038 1 1795 252 163 ALA N N 118.561 0.02 1 1796 253 164 HIS H H 8.303 0.003 1 1797 253 164 HIS HA H 4.272 0 1 1798 253 164 HIS HB2 H 3.228 0 2 1799 253 164 HIS HB3 H 3.506 0 2 1800 253 164 HIS HD2 H 7.244 0 1 1801 253 164 HIS HE1 H 7.769 0 1 1802 253 164 HIS C C 176.999 0 1 1803 253 164 HIS CA C 59.748 0 1 1804 253 164 HIS CB C 28.498 0.194 1 1805 253 164 HIS CE1 C 136.56 0 1 1806 253 164 HIS N N 115.038 0.053 1 1807 254 165 ALA H H 7.89 0.002 1 1808 254 165 ALA HA H 2.316 0 1 1809 254 165 ALA HB H 1.313 0 1 1810 254 165 ALA C C 178.376 0 1 1811 254 165 ALA CA C 54.563 0 1 1812 254 165 ALA CB C 19.127 0 1 1813 254 165 ALA N N 123.037 0.017 1 1814 255 166 ILE H H 7.759 0.003 1 1815 255 166 ILE HA H 3.16 0 1 1816 255 166 ILE HB H 1.371 0 1 1817 255 166 ILE HG12 H 0.105 0 2 1818 255 166 ILE HG13 H 1.333 0 2 1819 255 166 ILE HG2 H 0.559 0 1 1820 255 166 ILE HD1 H -0.988 0.007 1 1821 255 166 ILE C C 177.722 0 1 1822 255 166 ILE CA C 66.14 0.047 1 1823 255 166 ILE CB C 37.889 0.027 1 1824 255 166 ILE CG1 C 30.966 0.046 1 1825 255 166 ILE CG2 C 17.446 0.035 1 1826 255 166 ILE CD1 C 10.871 0.036 1 1827 255 166 ILE N N 117.435 0.027 1 1828 256 167 VAL H H 7.408 0.007 1 1829 256 167 VAL HA H 3.63 0 1 1830 256 167 VAL HB H 2.212 0 1 1831 256 167 VAL HG1 H 1.023 0.009 1 1832 256 167 VAL HG2 H 1.035 0.002 1 1833 256 167 VAL C C 178.007 0 1 1834 256 167 VAL CA C 65.489 0.082 1 1835 256 167 VAL CB C 31.707 0.075 1 1836 256 167 VAL CG1 C 21.5 0.133 1 1837 256 167 VAL CG2 C 22.498 0.147 1 1838 256 167 VAL N N 114.054 0.029 1 1839 257 168 SER H H 7.73 0.003 1 1840 257 168 SER HA H 4.383 0 1 1841 257 168 SER HB2 H 3.679 0 2 1842 257 168 SER HB3 H 3.901 0 2 1843 257 168 SER C C 175.166 0 1 1844 257 168 SER CA C 61.415 0 1 1845 257 168 SER CB C 64.516 0 1 1846 257 168 SER N N 112.645 0.033 1 1847 258 169 VAL H H 8.168 0.003 1 1848 258 169 VAL HA H 3.9 0 1 1849 258 169 VAL HB H 2.056 0 1 1850 258 169 VAL HG1 H 0.613 0 1 1851 258 169 VAL HG2 H 0.64 0.002 1 1852 258 169 VAL C C 177.652 0 1 1853 258 169 VAL CA C 63.296 0.069 1 1854 258 169 VAL CB C 31.926 0.033 1 1855 258 169 VAL CG1 C 21.886 0.037 1 1856 258 169 VAL CG2 C 23.678 0.029 1 1857 258 169 VAL N N 118.129 0.029 1 1858 259 170 ASN H H 7.897 0.005 1 1859 259 170 ASN HA H 4.169 0 1 1860 259 170 ASN HB2 H 2.913 0 2 1861 259 170 ASN HB3 H 3.151 0 2 1862 259 170 ASN HD21 H 7.132 0 2 1863 259 170 ASN HD22 H 7.661 0 2 1864 259 170 ASN C C 175.748 0 1 1865 259 170 ASN CA C 57.522 0 1 1866 259 170 ASN CB C 39.753 0 1 1867 259 170 ASN N N 118.854 0.023 1 1868 259 170 ASN ND2 N 115.685 0.002 1 1869 260 171 GLY H H 8.602 0.008 1 1870 260 171 GLY HA2 H 3.792 0 2 1871 260 171 GLY HA3 H 4.259 0 2 1872 260 171 GLY C C 174.545 0 1 1873 260 171 GLY CA C 46.056 0 1 1874 260 171 GLY N N 113.867 0.024 1 1875 261 172 THR H H 7.768 0.003 1 1876 261 172 THR HA H 4.547 0 1 1877 261 172 THR HB H 4.355 0.003 1 1878 261 172 THR HG2 H 1.278 0 1 1879 261 172 THR C C 172.112 0 1 1880 261 172 THR CA C 61.515 0.117 1 1881 261 172 THR CB C 71.115 0.092 1 1882 261 172 THR CG2 C 22.134 0 1 1883 261 172 THR N N 111.817 0.026 1 1884 262 173 THR H H 8.247 0.011 1 1885 262 173 THR HA H 5.081 0 1 1886 262 173 THR HB H 3.854 0.001 1 1887 262 173 THR HG2 H 0.948 0 1 1888 262 173 THR C C 174.841 0 1 1889 262 173 THR CA C 61.268 0 1 1890 262 173 THR CB C 69.584 0.018 1 1891 262 173 THR CG2 C 21.136 0 1 1892 262 173 THR N N 112.807 0.054 1 1893 263 174 ILE H H 9.196 0.009 1 1894 263 174 ILE HA H 4.194 0 1 1895 263 174 ILE HB H 1.611 0.002 1 1896 263 174 ILE HG12 H 0.973 0 2 1897 263 174 ILE HG13 H 1.394 0 2 1898 263 174 ILE HG2 H 0.795 0 1 1899 263 174 ILE HD1 H 0.622 0.003 1 1900 263 174 ILE C C 175.154 0 1 1901 263 174 ILE CA C 60.814 0.056 1 1902 263 174 ILE CB C 39.913 0.078 1 1903 263 174 ILE CG1 C 26.097 0 1 1904 263 174 ILE CG2 C 17.7 0.045 1 1905 263 174 ILE CD1 C 14.217 0.021 1 1906 263 174 ILE N N 127.076 0.026 1 1907 264 175 GLU H H 9.328 0.008 1 1908 264 175 GLU HA H 3.727 0 1 1909 264 175 GLU HB2 H 1.945 0.008 1 1910 264 175 GLU HB3 H 2.409 0 2 1911 264 175 GLU HG2 H 2.201 0 2 1912 264 175 GLU HG3 H 2.201 0 1 1913 264 175 GLU C C 175.787 0 1 1914 264 175 GLU CA C 56.79 0 1 1915 264 175 GLU CB C 27.493 0 1 1916 264 175 GLU N N 126.417 0.054 1 1917 265 176 GLY H H 8.094 0.007 1 1918 265 176 GLY HA2 H 3.336 0 2 1919 265 176 GLY HA3 H 3.832 0 2 1920 265 176 GLY C C 173.617 0 1 1921 265 176 GLY CA C 45.057 0 1 1922 265 176 GLY N N 100.965 0.034 1 1923 266 177 HIS H H 7.997 0.007 1 1924 266 177 HIS HA H 4.918 0 1 1925 266 177 HIS HB2 H 3.195 0 2 1926 266 177 HIS HB3 H 3.382 0 2 1927 266 177 HIS HD2 H 7.395 0.004 1 1928 266 177 HIS HE1 H 8.198 0 1 1929 266 177 HIS C C 173.476 0 1 1930 266 177 HIS CA C 54.169 0 1 1931 266 177 HIS CB C 30.669 0.175 1 1932 266 177 HIS CD2 C 127.317 0 1 1933 266 177 HIS CE1 C 138.279 0 1 1934 266 177 HIS N N 119.76 0.153 1 1935 267 178 VAL H H 8.841 0.008 1 1936 267 178 VAL HA H 4.325 0 1 1937 267 178 VAL HB H 1.982 0 1 1938 267 178 VAL HG1 H 0.867 0.004 1 1939 267 178 VAL HG2 H 0.968 0.002 1 1940 267 178 VAL C C 177.293 0 1 1941 267 178 VAL CA C 63.31 0.042 1 1942 267 178 VAL CB C 31.144 0.031 1 1943 267 178 VAL CG1 C 21.029 0.048 1 1944 267 178 VAL CG2 C 21.614 0.016 1 1945 267 178 VAL N N 125.556 0.047 1 1946 268 179 VAL H H 8.658 0.005 1 1947 268 179 VAL HA H 5.1 0 1 1948 268 179 VAL HB H 2.293 0 1 1949 268 179 VAL HG1 H 0.756 0 1 1950 268 179 VAL HG2 H 0.817 0.003 1 1951 268 179 VAL C C 176.28 0 1 1952 268 179 VAL CA C 60.226 0.02 1 1953 268 179 VAL CB C 33.839 0.067 1 1954 268 179 VAL CG1 C 23.062 0.016 1 1955 268 179 VAL CG2 C 18.767 0.029 1 1956 268 179 VAL N N 122.767 0.037 1 1957 269 180 LYS H H 8.588 0.006 1 1958 269 180 LYS HA H 5.107 0 1 1959 269 180 LYS HB2 H 1.81 0 1 1960 269 180 LYS HB3 H 1.883 0 2 1961 269 180 LYS HG2 H 1.519 0.008 2 1962 269 180 LYS HG3 H 1.636 0.009 2 1963 269 180 LYS HD2 H 1.554 0.002 2 1964 269 180 LYS HD3 H 1.837 0.002 2 1965 269 180 LYS HE2 H 3.04 0 2 1966 269 180 LYS HE3 H 3.04 0 1 1967 269 180 LYS C C 175.889 0 1 1968 269 180 LYS CA C 54.156 0.054 1 1969 269 180 LYS CB C 35.255 0.128 1 1970 269 180 LYS CG C 24.906 0.087 1 1971 269 180 LYS CD C 29.249 0.14 1 1972 269 180 LYS N N 122.543 0.023 1 1973 270 181 CYS H H 9.202 0.003 1 1974 270 181 CYS HA H 6.024 0.002 1 1975 270 181 CYS HB2 H 2.7 0 1 1976 270 181 CYS HB3 H 2.7 0 1 1977 270 181 CYS C C 172.583 0 1 1978 270 181 CYS CA C 56.002 0.174 1 1979 270 181 CYS CB C 31.56 0.02 1 1980 270 181 CYS N N 120.405 0.028 1 1981 271 182 TYR H H 8.49 0.005 1 1982 271 182 TYR HA H 4.546 0 1 1983 271 182 TYR HB2 H 3.254 0 1 1984 271 182 TYR HB3 H 3.254 0 1 1985 271 182 TYR HD1 H 7.098 0.001 3 1986 271 182 TYR HD2 H 7.098 0.001 3 1987 271 182 TYR HE1 H 7.104 0 3 1988 271 182 TYR HE2 H 7.104 0 3 1989 271 182 TYR C C 173.983 0 1 1990 271 182 TYR CA C 56.014 0 1 1991 271 182 TYR CB C 38.852 0.059 1 1992 271 182 TYR CD1 C 133.295 0 1 1993 271 182 TYR CD2 C 133.295 0 1 1994 271 182 TYR CE1 C 118.174 0 1 1995 271 182 TYR CE2 C 118.174 0 1 1996 271 182 TYR N N 118.589 0.023 1 1997 272 183 TRP H H 7.784 0.009 1 1998 272 183 TRP HA H 4.638 0 1 1999 272 183 TRP HB2 H 3.136 0.005 2 2000 272 183 TRP HB3 H 3.444 0.005 2 2001 272 183 TRP HD1 H 7.279 0.003 1 2002 272 183 TRP HE1 H 9.934 0 1 2003 272 183 TRP HE3 H 7.846 0 1 2004 272 183 TRP HZ2 H 6.803 0 1 2005 272 183 TRP HZ3 H 6.643 0 1 2006 272 183 TRP HH2 H 6.641 0 1 2007 272 183 TRP C C 177.492 0 1 2008 272 183 TRP CA C 58.638 0 1 2009 272 183 TRP CB C 30.246 0.043 1 2010 272 183 TRP CD1 C 122.444 0 1 2011 272 183 TRP CE3 C 121.587 0 1 2012 272 183 TRP CZ2 C 112.566 0 1 2013 272 183 TRP CZ3 C 123.47 0 1 2014 272 183 TRP CH2 C 124.1 0 1 2015 272 183 TRP N N 120.355 0.028 1 2016 272 183 TRP NE1 N 128.393 0 1 2017 273 184 GLY H H 9.058 0.004 1 2018 273 184 GLY HA2 H 3.421 0 1 2019 273 184 GLY HA3 H 4.487 0 2 2020 273 184 GLY C C 171.844 0 1 2021 273 184 GLY CA C 44.71 0 1 2022 273 184 GLY N N 109.318 0.021 1 2023 274 185 LYS H H 7.365 0.003 1 2024 274 185 LYS HA H 4.189 0 1 2025 274 185 LYS HB2 H 1.655 0.001 1 2026 274 185 LYS HB3 H 1.746 0.001 2 2027 274 185 LYS HG2 H 1.327 0.002 2 2028 274 185 LYS HG3 H 1.327 0.002 1 2029 274 185 LYS HD2 H 1.63 0.004 1 2030 274 185 LYS HD3 H 1.63 0.004 1 2031 274 185 LYS HE2 H 2.943 0 1 2032 274 185 LYS HE3 H 2.943 0 1 2033 274 185 LYS CA C 57.779 0.039 1 2034 274 185 LYS CB C 33.931 0.106 1 2035 274 185 LYS CG C 24.531 0.03 1 2036 274 185 LYS CD C 29.168 0.041 1 2037 274 185 LYS CE C 42.112 0.193 1 2038 274 185 LYS N N 125.469 0.019 1 stop_ save_