data_6074 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C and 15N resonance assignments for the 29kD Pseudomonas aeruginosa dimethylarginine dimethylaminohydrolase involved in nitric oxide synthase regulation ; _BMRB_accession_number 6074 _BMRB_flat_file_name bmr6074.str _Entry_type original _Submission_date 2004-01-13 _Accession_date 2004-01-14 _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 'S. Magalhaes' Beatriz . . 2 Harris Richard . . 3 Plevin Michael J. . 4 Driscoll Paul C. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 244 "13C chemical shifts" 736 "15N chemical shifts" 244 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-07-06 original author . stop_ _Original_release_date 2004-07-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Backbone 1H, 13C and 15N resonance assignments for a 29kD Monomeric Variant of Pseudomonas aeruginosa dimethylarginine dimethylaminohydrolase ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15213470 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Magalhaes Beatriz S. . 2 Harris Richard . . 3 Plevin Michael J. . 4 Driscoll Paul C. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 29 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 463 _Page_last 464 _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_system_DDAH _Saveframe_category molecular_system _Mol_system_name PaDDAH _Abbreviation_common DDAH _Enzyme_commission_number 3.5.3.18 loop_ _Mol_system_component_name _Mol_label 'PaDDAH protomer A' $PaDDAH stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'metabolism of asymmetric methylarginines' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PaDDAH _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Pseudomonas aeruginosa dimethylarginine dimethylaminohydrolase' _Abbreviation_common DDAH _Molecular_mass 29218 _Mol_thiol_state 'all free' _Details ; The molecule has two mutations (R40E and R98H) and an additional 7 N-terminal residues left after cleavage of the polyhistidine tag. ; ############################## # Polymer residue sequence # ############################## _Residue_count 261 _Mol_residue_sequence ; GAMDPEFMFKHIIARTPARS LVDGLTSSHLGKPDYAKALE QHNAYIEALQTCDVDITLLP PDERFPDSVFVEDPVLCTSR CAIITRPGAESRRGETEIIE ETVQHFYPGKVERIEAPGTV EAGDIMMVGDHFYIGESART NAEGARQMIAILEKHGLSGS VVRLEKVLHLKTGLAYLEHN NLLAAGEFVSKPEFQDFNII EIPEEESYAANCIWVNERVI MPAGYPRTREKIARLGYRVI EVDTSEYRKIDGGVSCMSLR F ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -7 GLY 2 -6 ALA 3 -5 MET 4 -4 ASP 5 -3 PRO 6 -2 GLU 7 -1 PHE 8 1 MET 9 2 PHE 10 3 LYS 11 4 HIS 12 5 ILE 13 6 ILE 14 7 ALA 15 8 ARG 16 9 THR 17 10 PRO 18 11 ALA 19 12 ARG 20 13 SER 21 14 LEU 22 15 VAL 23 16 ASP 24 17 GLY 25 18 LEU 26 19 THR 27 20 SER 28 21 SER 29 22 HIS 30 23 LEU 31 24 GLY 32 25 LYS 33 26 PRO 34 27 ASP 35 28 TYR 36 29 ALA 37 30 LYS 38 31 ALA 39 32 LEU 40 33 GLU 41 34 GLN 42 35 HIS 43 36 ASN 44 37 ALA 45 38 TYR 46 39 ILE 47 40 GLU 48 41 ALA 49 42 LEU 50 43 GLN 51 44 THR 52 45 CYS 53 46 ASP 54 47 VAL 55 48 ASP 56 49 ILE 57 50 THR 58 51 LEU 59 52 LEU 60 53 PRO 61 54 PRO 62 55 ASP 63 56 GLU 64 57 ARG 65 58 PHE 66 59 PRO 67 60 ASP 68 61 SER 69 62 VAL 70 63 PHE 71 64 VAL 72 65 GLU 73 66 ASP 74 67 PRO 75 68 VAL 76 69 LEU 77 70 CYS 78 71 THR 79 72 SER 80 73 ARG 81 74 CYS 82 75 ALA 83 76 ILE 84 77 ILE 85 78 THR 86 79 ARG 87 80 PRO 88 81 GLY 89 82 ALA 90 83 GLU 91 84 SER 92 85 ARG 93 86 ARG 94 87 GLY 95 88 GLU 96 89 THR 97 90 GLU 98 91 ILE 99 92 ILE 100 93 GLU 101 94 GLU 102 95 THR 103 96 VAL 104 97 GLN 105 98 HIS 106 99 PHE 107 100 TYR 108 101 PRO 109 102 GLY 110 103 LYS 111 104 VAL 112 105 GLU 113 106 ARG 114 107 ILE 115 108 GLU 116 109 ALA 117 110 PRO 118 111 GLY 119 112 THR 120 113 VAL 121 114 GLU 122 115 ALA 123 116 GLY 124 117 ASP 125 118 ILE 126 119 MET 127 120 MET 128 121 VAL 129 122 GLY 130 123 ASP 131 124 HIS 132 125 PHE 133 126 TYR 134 127 ILE 135 128 GLY 136 129 GLU 137 130 SER 138 131 ALA 139 132 ARG 140 133 THR 141 134 ASN 142 135 ALA 143 136 GLU 144 137 GLY 145 138 ALA 146 139 ARG 147 140 GLN 148 141 MET 149 142 ILE 150 143 ALA 151 144 ILE 152 145 LEU 153 146 GLU 154 147 LYS 155 148 HIS 156 149 GLY 157 150 LEU 158 151 SER 159 152 GLY 160 153 SER 161 154 VAL 162 155 VAL 163 156 ARG 164 157 LEU 165 158 GLU 166 159 LYS 167 160 VAL 168 161 LEU 169 162 HIS 170 163 LEU 171 164 LYS 172 165 THR 173 166 GLY 174 167 LEU 175 168 ALA 176 169 TYR 177 170 LEU 178 171 GLU 179 172 HIS 180 173 ASN 181 174 ASN 182 175 LEU 183 176 LEU 184 177 ALA 185 178 ALA 186 179 GLY 187 180 GLU 188 181 PHE 189 182 VAL 190 183 SER 191 184 LYS 192 185 PRO 193 186 GLU 194 187 PHE 195 188 GLN 196 189 ASP 197 190 PHE 198 191 ASN 199 192 ILE 200 193 ILE 201 194 GLU 202 195 ILE 203 196 PRO 204 197 GLU 205 198 GLU 206 199 GLU 207 200 SER 208 201 TYR 209 202 ALA 210 203 ALA 211 204 ASN 212 205 CYS 213 206 ILE 214 207 TRP 215 208 VAL 216 209 ASN 217 210 GLU 218 211 ARG 219 212 VAL 220 213 ILE 221 214 MET 222 215 PRO 223 216 ALA 224 217 GLY 225 218 TYR 226 219 PRO 227 220 ARG 228 221 THR 229 222 ARG 230 223 GLU 231 224 LYS 232 225 ILE 233 226 ALA 234 227 ARG 235 228 LEU 236 229 GLY 237 230 TYR 238 231 ARG 239 232 VAL 240 233 ILE 241 234 GLU 242 235 VAL 243 236 ASP 244 237 THR 245 238 SER 246 239 GLU 247 240 TYR 248 241 ARG 249 242 LYS 250 243 ILE 251 244 ASP 252 245 GLY 253 246 GLY 254 247 VAL 255 248 SER 256 249 CYS 257 250 MET 258 251 SER 259 252 LEU 260 253 ARG 261 254 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 BMRB 19615 PaDDAH_TM 97.32 254 99.61 99.61 0.00e+00 BMRB 19616 Dimethylarginine_Dimethylaminohydrolase 97.32 254 99.61 99.61 0.00e+00 BMRB 19742 Psuedomonas_aeruginosa_Dimethylarginine_Dimethylaminohydrolase_DDAH 97.32 254 100.00 100.00 0.00e+00 BMRB 19743 Psuedomonas_aeruginosa_Dimethylarginine_Dimethylaminohydrolase 97.32 254 100.00 100.00 0.00e+00 BMRB 19744 PaDDAH 97.32 254 100.00 100.00 0.00e+00 PDB 1H70 "Ddah From Pseudomonas Aeruginosa. C249s Mutant Complexed With Citrulline" 97.70 255 98.82 98.82 0.00e+00 PDB 3BPB "Crystal Structure Of The Dimethylarginine Dimethylaminohydrolase H162g Adduct With S-Methyl-L- Thiocitrulline" 97.32 254 98.82 98.82 0.00e+00 PDB 3RHY "Crystal Structure Of The Dimethylarginine Dimethylaminohydrolase Adduct With 4-Chloro-2-Hydroxymethylpyridine" 97.32 254 99.21 99.21 0.00e+00 DBJ BAK88928 "hypothetical protein NCGM2_2069 [Pseudomonas aeruginosa NCGM2.S1]" 97.32 254 99.21 99.21 0.00e+00 DBJ BAP20511 "hypothetical protein NCGM1900_1389 [Pseudomonas aeruginosa]" 97.32 254 99.21 99.21 0.00e+00 DBJ BAP52091 "hypothetical protein NCGM1984_4129 [Pseudomonas aeruginosa]" 97.32 254 99.21 99.21 0.00e+00 DBJ GAA16731 "putative dimethylarginine dimethylaminohydrolase [Pseudomonas aeruginosa NCMG1179]" 97.32 254 99.21 99.21 0.00e+00 DBJ GAJ52405 "NG,NG-dimethylarginine dimethylaminohydrolase 1 [Pseudomonas aeruginosa RB]" 97.32 254 99.21 99.21 0.00e+00 EMBL CAW28868 "putative dimethylarginine dimethylaminohydrolase [Pseudomonas aeruginosa LESB58]" 97.32 254 99.21 99.21 0.00e+00 EMBL CCQ86504 "NG,NG-dimethylarginine dimethylaminohydrolase 1 [Pseudomonas aeruginosa 18A]" 97.32 254 98.82 98.82 0.00e+00 EMBL CDH72250 "N(G), N(G)-dimethylargininedimethylaminohydrolase [Pseudomonas aeruginosa MH38]" 97.32 254 99.21 99.21 0.00e+00 EMBL CDH78521 "N(G), N(G)-dimethylargininedimethylaminohydrolase [Pseudomonas aeruginosa MH27]" 97.32 254 99.21 99.21 0.00e+00 EMBL CDI89341 "putative dimethylarginine dimethylaminohydrolase [Pseudomonas aeruginosa PA38182]" 97.32 254 99.21 99.21 0.00e+00 GB AAG04584 "hypothetical protein PA1195 [Pseudomonas aeruginosa PAO1]" 97.32 254 99.21 99.21 0.00e+00 GB ABJ10379 "putative dimethylarginine dimethylaminohydrolase [Pseudomonas aeruginosa UCBPP-PA14]" 97.32 254 99.21 99.21 0.00e+00 GB AEO76319 "putative dimethylarginine dimethylaminohydrolase [Pseudomonas aeruginosa M18]" 97.32 254 98.82 98.82 0.00e+00 GB AFM66206 "N-Dimethylarginine dimethylaminohydrolase [Pseudomonas aeruginosa DK2]" 97.32 254 99.21 99.21 0.00e+00 GB AGI82760 "N-Dimethylarginine dimethylaminohydrolase [Pseudomonas aeruginosa B136-33]" 97.32 254 99.21 99.21 0.00e+00 REF NP_249886 "hypothetical protein PA1195 [Pseudomonas aeruginosa PAO1]" 97.32 254 99.21 99.21 0.00e+00 REF WP_003082466 "N(G),N(G)-dimethylarginine dimethylaminohydrolase [Pseudomonas aeruginosa]" 97.32 254 98.82 99.21 0.00e+00 REF WP_003086612 "MULTISPECIES: N(G),N(G)-dimethylarginine dimethylaminohydrolase [Pseudomonas]" 97.32 254 99.21 99.21 0.00e+00 REF WP_003123128 "N(G),N(G)-dimethylarginine dimethylaminohydrolase [Pseudomonas aeruginosa]" 97.32 254 98.82 99.21 0.00e+00 REF WP_003133711 "N(G),N(G)-dimethylarginine dimethylaminohydrolase [Pseudomonas aeruginosa]" 97.32 254 98.82 99.21 0.00e+00 SP Q9I4E3 "RecName: Full=N(G),N(G)-dimethylarginine dimethylaminohydrolase; Short=DDAH; Short=Dimethylarginine dimethylaminohydrolase; Alt" 97.32 254 99.21 99.21 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PaDDAH 'Pseudomonas aeruginosa' 287 Eubacteria . Pseudomonas aeruginosa 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 $PaDDAH 'recombinant technology' 'E. coli' . . . . 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 $PaDDAH 1.5 mM '[U-13C; U-15N; U-2H]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CA)CB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CB _Sample_label . save_ save_HN(COCA)CB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(COCA)CB _Sample_label . save_ save_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(COCA)CB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.2 na temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label HNCO HNCA HN(CA)CB HN(COCA)CB HN(CO)CA stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'PaDDAH protomer A' _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 . 2 ALA CA C 54.112 0.4 1 2 . 2 ALA C C 178.089 0.4 1 3 . 2 ALA CB C 19.845 0.4 1 4 . 3 MET N N 117.96 0.1 1 5 . 3 MET H H 8.478 0.02 1 6 . 3 MET CA C 55.98 0.4 1 7 . 3 MET C C 175.875 0.4 1 8 . 3 MET CB C 32.852 0.4 1 9 . 4 ASP N N 122.545 0.1 1 10 . 4 ASP H H 8.091 0.02 1 11 . 4 ASP CA C 53.753 0.4 1 12 . 4 ASP CB C 41.367 0.4 1 13 . 5 PRO CA C 64.22 0.4 1 14 . 5 PRO C C 177.101 0.4 1 15 . 5 PRO CB C 32.578 0.4 1 16 . 6 GLU N N 120.677 0.1 1 17 . 6 GLU H H 8.565 0.02 1 18 . 6 GLU CA C 57.602 0.4 1 19 . 6 GLU C C 176.003 0.4 1 20 . 6 GLU CB C 30.777 0.4 1 21 . 7 PHE N N 120.962 0.1 1 22 . 7 PHE H H 8.092 0.02 1 23 . 7 PHE CA C 58.244 0.4 1 24 . 7 PHE C C 174.289 0.4 1 25 . 7 PHE CB C 40.646 0.4 1 26 . 8 MET N N 121.054 0.1 1 27 . 8 MET H H 7.576 0.02 1 28 . 8 MET CA C 56.391 0.4 1 29 . 8 MET C C 176.229 0.4 1 30 . 8 MET CB C 36.202 0.4 1 31 . 9 PHE N N 119.5 0.1 1 32 . 9 PHE H H 9.51 0.02 1 33 . 9 PHE CA C 56.379 0.4 1 34 . 9 PHE C C 175.779 0.4 1 35 . 9 PHE CB C 40.472 0.4 1 36 . 10 LYS N N 120.089 0.1 1 37 . 10 LYS H H 9.566 0.02 1 38 . 10 LYS CA C 57.65 0.4 1 39 . 10 LYS C C 176.425 0.4 1 40 . 10 LYS CB C 36.027 0.4 1 41 . 11 HIS N N 119.196 0.1 1 42 . 11 HIS H H 8.709 0.02 1 43 . 11 HIS CA C 55.479 0.4 1 44 . 11 HIS C C 172.175 0.4 1 45 . 11 HIS CB C 33.572 0.4 1 46 . 12 ILE N N 116.079 0.1 1 47 . 12 ILE H H 8.021 0.02 1 48 . 12 ILE CA C 57.245 0.4 1 49 . 12 ILE C C 177.381 0.4 1 50 . 12 ILE CB C 40.58 0.4 1 51 . 13 ILE N N 124.498 0.1 1 52 . 13 ILE H H 8.559 0.02 1 53 . 13 ILE CA C 60.892 0.4 1 54 . 13 ILE C C 174.077 0.4 1 55 . 13 ILE CB C 41.458 0.4 1 56 . 14 ALA N N 128.4 0.1 1 57 . 14 ALA H H 8.914 0.02 1 58 . 14 ALA CA C 51.653 0.4 1 59 . 14 ALA C C 174.095 0.4 1 60 . 14 ALA CB C 24.415 0.4 1 61 . 15 ARG N N 121.874 0.1 1 62 . 15 ARG H H 9.799 0.02 1 63 . 15 ARG CA C 56.603 0.4 1 64 . 15 ARG C C 172.103 0.4 1 65 . 15 ARG CB C 34.254 0.4 1 66 . 16 THR N N 123.875 0.1 1 67 . 16 THR H H 7.882 0.02 1 68 . 16 THR CA C 62.768 0.4 1 69 . 16 THR CB C 72.02 0.4 1 70 . 17 PRO CA C 62.748 0.4 1 71 . 17 PRO C C 174.837 0.4 1 72 . 17 PRO CB C 32.896 0.4 1 73 . 18 ALA N N 126.06 0.1 1 74 . 18 ALA H H 8.15 0.02 1 75 . 18 ALA CA C 51.474 0.4 1 76 . 18 ALA C C 177.979 0.4 1 77 . 18 ALA CB C 20.195 0.4 1 78 . 19 ARG N N 124.942 0.1 1 79 . 19 ARG H H 10.346 0.02 1 80 . 19 ARG CA C 60.433 0.4 1 81 . 19 ARG C C 180.147 0.4 1 82 . 19 ARG CB C 28.851 0.4 1 83 . 20 SER N N 113.236 0.1 1 84 . 20 SER H H 8.919 0.02 1 85 . 20 SER CA C 59.969 0.4 1 86 . 20 SER C C 175.764 0.4 1 87 . 20 SER CB C 63.895 0.4 1 88 . 21 LEU N N 124.951 0.1 1 89 . 21 LEU H H 7.826 0.02 1 90 . 21 LEU CA C 59.547 0.4 1 91 . 21 LEU C C 177.978 0.4 1 92 . 21 LEU CB C 43.402 0.4 1 93 . 22 VAL N N 108.337 0.1 1 94 . 22 VAL H H 7.053 0.02 1 95 . 22 VAL CA C 63.77 0.4 1 96 . 22 VAL C C 176.201 0.4 1 97 . 22 VAL CB C 31.946 0.4 1 98 . 23 ASP N N 120.179 0.1 1 99 . 23 ASP H H 7.695 0.02 1 100 . 23 ASP CA C 55.722 0.4 1 101 . 23 ASP C C 176.999 0.4 1 102 . 23 ASP CB C 41.927 0.4 1 103 . 24 GLY N N 107.989 0.1 1 104 . 24 GLY H H 7.941 0.02 1 105 . 24 GLY CA C 46.478 0.4 1 106 . 24 GLY C C 174.062 0.4 1 107 . 25 LEU N N 122.164 0.1 1 108 . 25 LEU H H 8.707 0.02 1 109 . 25 LEU CA C 56.589 0.4 1 110 . 25 LEU C C 177.953 0.4 1 111 . 25 LEU CB C 42.57 0.4 1 112 . 26 THR N N 114.259 0.1 1 113 . 26 THR H H 8.215 0.02 1 114 . 26 THR CA C 62.298 0.4 1 115 . 26 THR C C 180.213 0.4 1 116 . 26 THR CB C 70.784 0.4 1 117 . 27 SER N N 118.173 0.1 1 118 . 27 SER H H 8.59 0.02 1 119 . 27 SER CA C 59.22 0.4 1 120 . 27 SER CB C 65.143 0.4 1 121 . 29 HIS CA C 58.266 0.4 1 122 . 29 HIS C C 176.084 0.4 1 123 . 29 HIS CB C 30.59 0.4 1 124 . 30 LEU N N 120.227 0.1 1 125 . 30 LEU H H 7.992 0.02 1 126 . 30 LEU CA C 56.053 0.4 1 127 . 30 LEU C C 177.559 0.4 1 128 . 30 LEU CB C 43.048 0.4 1 129 . 31 GLY N N 106.983 0.1 1 130 . 31 GLY H H 7.76 0.02 1 131 . 31 GLY CA C 45.037 0.4 1 132 . 31 GLY C C 174.363 0.4 1 133 . 32 LYS N N 119.106 0.1 1 134 . 32 LYS H H 8.326 0.02 1 135 . 32 LYS CA C 54.948 0.4 1 136 . 32 LYS CB C 33.473 0.4 1 137 . 33 PRO CA C 63.579 0.4 1 138 . 33 PRO C C 174.091 0.4 1 139 . 33 PRO CB C 32.469 0.4 1 140 . 34 ASP N N 123.82 0.1 1 141 . 34 ASP H H 8.928 0.02 1 142 . 34 ASP CA C 53.429 0.4 1 143 . 34 ASP C C 176.309 0.4 1 144 . 34 ASP CB C 44.008 0.4 1 145 . 35 TYR N N 127.176 0.1 1 146 . 35 TYR H H 9 0.02 1 147 . 35 TYR CA C 63.352 0.4 1 148 . 35 TYR C C 175.432 0.4 1 149 . 35 TYR CB C 39.01 0.4 1 150 . 36 ALA N N 120.213 0.1 1 151 . 36 ALA H H 8.209 0.02 1 152 . 36 ALA CA C 56.411 0.4 1 153 . 36 ALA C C 181.862 0.4 1 154 . 36 ALA CB C 18.209 0.4 1 155 . 37 LYS N N 119.142 0.1 1 156 . 37 LYS H H 8.153 0.02 1 157 . 37 LYS CA C 59.41 0.4 1 158 . 37 LYS C C 178.43 0.4 1 159 . 37 LYS CB C 32.598 0.4 1 160 . 38 ALA N N 123.085 0.1 1 161 . 38 ALA H H 8.804 0.02 1 162 . 38 ALA CA C 55.825 0.4 1 163 . 38 ALA C C 183.048 0.4 1 164 . 38 ALA CB C 17.013 0.4 1 165 . 39 LEU N N 125.613 0.1 1 166 . 39 LEU H H 8.865 0.02 1 167 . 39 LEU CA C 59.246 0.4 1 168 . 39 LEU C C 178.556 0.4 1 169 . 39 LEU CB C 41.641 0.4 1 170 . 40 GLU N N 120.451 0.1 1 171 . 40 GLU H H 7.634 0.02 1 172 . 40 GLU CA C 60.632 0.4 1 173 . 40 GLU C C 180.578 0.4 1 174 . 40 GLU CB C 30.011 0.4 1 175 . 41 GLN N N 119.439 0.1 1 176 . 41 GLN H H 8.725 0.02 1 177 . 41 GLN CA C 59.871 0.4 1 178 . 41 GLN C C 179.332 0.4 1 179 . 41 GLN CB C 28.318 0.4 1 180 . 42 HIS N N 122.23 0.1 1 181 . 42 HIS H H 8.484 0.02 1 182 . 42 HIS CA C 63.974 0.4 1 183 . 42 HIS C C 177.587 0.4 1 184 . 42 HIS CB C 31.857 0.4 1 185 . 43 ASN N N 116.087 0.1 1 186 . 43 ASN H H 8.629 0.02 1 187 . 43 ASN CA C 57.473 0.4 1 188 . 43 ASN C C 178.118 0.4 1 189 . 43 ASN CB C 38.701 0.4 1 190 . 44 ALA N N 122.242 0.1 1 191 . 44 ALA H H 8.206 0.02 1 192 . 44 ALA CA C 55.953 0.4 1 193 . 44 ALA C C 180.406 0.4 1 194 . 44 ALA CB C 18.743 0.4 1 195 . 45 TYR N N 122.618 0.1 1 196 . 45 TYR H H 8.092 0.02 1 197 . 45 TYR CA C 62.099 0.4 1 198 . 45 TYR C C 176.048 0.4 1 199 . 45 TYR CB C 38.653 0.4 1 200 . 46 ILE N N 119.181 0.1 1 201 . 46 ILE H H 8.243 0.02 1 202 . 46 ILE CA C 63.287 0.4 1 203 . 46 ILE C C 178.254 0.4 1 204 . 46 ILE CB C 35.429 0.4 1 205 . 47 GLU N N 118.759 0.1 1 206 . 47 GLU H H 8.265 0.02 1 207 . 47 GLU CA C 60.372 0.4 1 208 . 47 GLU C C 179.526 0.4 1 209 . 47 GLU CB C 29.786 0.4 1 210 . 48 ALA N N 120.32 0.1 1 211 . 48 ALA H H 7.723 0.02 1 212 . 48 ALA CA C 55.691 0.4 1 213 . 48 ALA C C 181.64 0.4 1 214 . 48 ALA CB C 18.924 0.4 1 215 . 49 LEU N N 121.098 0.1 1 216 . 49 LEU H H 7.851 0.02 1 217 . 49 LEU CA C 59.078 0.4 1 218 . 49 LEU C C 178.6 0.4 1 219 . 49 LEU CB C 42.03 0.4 1 220 . 50 GLN N N 116.352 0.1 1 221 . 50 GLN H H 8.275 0.02 1 222 . 50 GLN CA C 58.985 0.4 1 223 . 50 GLN C C 177.642 0.4 1 224 . 50 GLN CB C 28.969 0.4 1 225 . 51 THR N N 108.382 0.1 1 226 . 51 THR H H 7.392 0.02 1 227 . 51 THR CA C 63.635 0.4 1 228 . 51 THR C C 175.359 0.4 1 229 . 51 THR CB C 70.295 0.4 1 230 . 52 CYS N N 117.454 0.1 1 231 . 52 CYS H H 7.557 0.02 1 232 . 52 CYS CA C 61.012 0.4 1 233 . 52 CYS C C 172.769 0.4 1 234 . 52 CYS CB C 28.388 0.4 1 235 . 53 ASP N N 115.817 0.1 1 236 . 53 ASP H H 8.11 0.02 1 237 . 53 ASP CA C 56.891 0.4 1 238 . 53 ASP C C 173.5 0.4 1 239 . 53 ASP CB C 39.411 0.4 1 240 . 54 VAL N N 105.61 0.1 1 241 . 54 VAL H H 6.595 0.02 1 242 . 54 VAL CA C 59.217 0.4 1 243 . 54 VAL C C 174.605 0.4 1 244 . 54 VAL CB C 36.18 0.4 1 245 . 55 ASP N N 119.037 0.1 1 246 . 55 ASP H H 7.836 0.02 1 247 . 55 ASP CA C 53.402 0.4 1 248 . 55 ASP C C 175.271 0.4 1 249 . 55 ASP CB C 43.328 0.4 1 250 . 56 ILE N N 120.954 0.1 1 251 . 56 ILE H H 8.575 0.02 1 252 . 56 ILE CA C 61.058 0.4 1 253 . 56 ILE C C 176.44 0.4 1 254 . 56 ILE CB C 39.573 0.4 1 255 . 57 THR N N 127.729 0.1 1 256 . 57 THR H H 8.841 0.02 1 257 . 57 THR CA C 64.141 0.4 1 258 . 57 THR C C 171.969 0.4 1 259 . 57 THR CB C 70.41 0.4 1 260 . 58 LEU N N 129.26 0.1 1 261 . 58 LEU H H 8.833 0.02 1 262 . 58 LEU CA C 53.973 0.4 1 263 . 58 LEU C C 176.053 0.4 1 264 . 58 LEU CB C 43.802 0.4 1 265 . 59 LEU N N 130.3 0.1 1 266 . 59 LEU H H 9.442 0.02 1 267 . 59 LEU CA C 53.43 0.4 1 268 . 59 LEU CB C 41.32 0.4 1 269 . 61 PRO CA C 63.152 0.4 1 270 . 61 PRO C C 177.861 0.4 1 271 . 61 PRO CB C 32.479 0.4 1 272 . 62 ASP N N 119.822 0.1 1 273 . 62 ASP H H 8.092 0.02 1 274 . 62 ASP CA C 54.097 0.4 1 275 . 62 ASP C C 176.198 0.4 1 276 . 62 ASP CB C 44.188 0.4 1 277 . 63 GLU N N 121.382 0.1 1 278 . 63 GLU H H 8.649 0.02 1 279 . 63 GLU CA C 58.447 0.4 1 280 . 63 GLU C C 178.958 0.4 1 281 . 63 GLU CB C 30.437 0.4 1 282 . 64 ARG N N 116.243 0.1 1 283 . 64 ARG H H 8.178 0.02 1 284 . 64 ARG CA C 58.256 0.4 1 285 . 64 ARG C C 175.957 0.4 1 286 . 64 ARG CB C 30.968 0.4 1 287 . 65 PHE N N 113.922 0.1 1 288 . 65 PHE H H 7.506 0.02 1 289 . 65 PHE CA C 56.28 0.4 1 290 . 65 PHE CB C 41.665 0.4 1 291 . 66 PRO CA C 66.864 0.4 1 292 . 66 PRO C C 177.822 0.4 1 293 . 66 PRO CB C 33.627 0.4 1 294 . 67 ASP N N 113.826 0.1 1 295 . 67 ASP H H 8.574 0.02 1 296 . 67 ASP CA C 55.478 0.4 1 297 . 67 ASP C C 177.535 0.4 1 298 . 67 ASP CB C 43.072 0.4 1 299 . 68 SER N N 112.908 0.1 1 300 . 68 SER H H 8.172 0.02 1 301 . 68 SER CA C 62.083 0.4 1 302 . 68 SER C C 175.769 0.4 1 303 . 68 SER CB C 64.093 0.4 1 304 . 69 VAL N N 121.033 0.1 1 305 . 69 VAL H H 7.141 0.02 1 306 . 69 VAL CA C 63.406 0.4 1 307 . 69 VAL C C 176.119 0.4 1 308 . 69 VAL CB C 31.741 0.4 1 309 . 70 PHE N N 125.996 0.1 1 310 . 70 PHE H H 8.262 0.02 1 311 . 70 PHE CA C 54.816 0.4 1 312 . 70 PHE C C 177.73 0.4 1 313 . 70 PHE CB C 35.289 0.4 1 314 . 71 VAL N N 115.857 0.1 1 315 . 71 VAL H H 7.494 0.02 1 316 . 71 VAL CA C 63.456 0.4 1 317 . 71 VAL C C 173.781 0.4 1 318 . 71 VAL CB C 31.99 0.4 1 319 . 72 GLU N N 116.378 0.1 1 320 . 72 GLU H H 7.626 0.02 1 321 . 72 GLU CA C 59.293 0.4 1 322 . 72 GLU C C 175.833 0.4 1 323 . 72 GLU CB C 31.818 0.4 1 324 . 73 ASP N N 108.831 0.1 1 325 . 73 ASP H H 6.857 0.02 1 326 . 73 ASP CA C 60.531 0.4 1 327 . 73 ASP CB C 40.638 0.4 1 328 . 74 PRO CA C 65.998 0.4 1 329 . 74 PRO C C 173.838 0.4 1 330 . 74 PRO CB C 33.554 0.4 1 331 . 75 VAL N N 114.303 0.1 1 332 . 75 VAL H H 6.941 0.02 1 333 . 75 VAL CA C 61.186 0.4 1 334 . 75 VAL C C 170.995 0.4 1 335 . 75 VAL CB C 36.004 0.4 1 336 . 76 LEU N N 122.976 0.1 1 337 . 76 LEU H H 8.666 0.02 1 338 . 76 LEU CA C 53.878 0.4 1 339 . 76 LEU C C 175.377 0.4 1 340 . 76 LEU CB C 45.901 0.4 1 341 . 77 CYS N N 127.05 0.1 1 342 . 77 CYS H H 10.113 0.02 1 343 . 77 CYS CA C 60.506 0.4 1 344 . 77 CYS C C 174.642 0.4 1 345 . 77 CYS CB C 29.001 0.4 1 346 . 78 THR N N 115.834 0.1 1 347 . 78 THR H H 8.158 0.02 1 348 . 78 THR CA C 61.244 0.4 1 349 . 78 THR C C 175.481 0.4 1 350 . 78 THR CB C 73.016 0.4 1 351 . 79 SER N N 116.608 0.1 1 352 . 79 SER H H 10.069 0.02 1 353 . 79 SER CA C 61.408 0.4 1 354 . 79 SER C C 176.337 0.4 1 355 . 79 SER CB C 63.901 0.4 1 356 . 80 ARG N N 117.566 0.1 1 357 . 80 ARG H H 7.945 0.02 1 358 . 80 ARG CA C 56.777 0.4 1 359 . 80 ARG C C 175.166 0.4 1 360 . 80 ARG CB C 34.081 0.4 1 361 . 81 CYS N N 109.276 0.1 1 362 . 81 CYS H H 7.115 0.02 1 363 . 81 CYS CA C 57.484 0.4 1 364 . 81 CYS C C 171.265 0.4 1 365 . 81 CYS CB C 29.573 0.4 1 366 . 82 ALA N N 123.072 0.1 1 367 . 82 ALA H H 8.206 0.02 1 368 . 82 ALA CA C 50.628 0.4 1 369 . 82 ALA C C 175.243 0.4 1 370 . 82 ALA CB C 21.74 0.4 1 371 . 83 ILE N N 119.942 0.1 1 372 . 83 ILE H H 9.108 0.02 1 373 . 83 ILE CA C 60.873 0.4 1 374 . 83 ILE C C 175.222 0.4 1 375 . 83 ILE CB C 41.185 0.4 1 376 . 84 ILE N N 128.817 0.1 1 377 . 84 ILE H H 9.07 0.02 1 378 . 84 ILE CA C 61.056 0.4 1 379 . 84 ILE C C 176.73 0.4 1 380 . 84 ILE CB C 36.161 0.4 1 381 . 85 THR N N 119.326 0.1 1 382 . 85 THR H H 8.226 0.02 1 383 . 85 THR CA C 61.452 0.4 1 384 . 85 THR C C 172.472 0.4 1 385 . 85 THR CB C 66.02 0.4 1 386 . 86 ARG N N 112.397 0.1 1 387 . 86 ARG H H 7.432 0.02 1 388 . 86 ARG CA C 55.903 0.4 1 389 . 86 ARG CB C 30.653 0.4 1 390 . 87 PRO CA C 64.914 0.4 1 391 . 87 PRO C C 175.077 0.4 1 392 . 87 PRO CB C 32.798 0.4 1 393 . 88 GLY N N 111.296 0.1 1 394 . 88 GLY H H 9.058 0.02 1 395 . 88 GLY CA C 47.898 0.4 1 396 . 88 GLY C C 174.979 0.4 1 397 . 89 ALA N N 122.786 0.1 1 398 . 89 ALA H H 7.878 0.02 1 399 . 89 ALA CA C 52.327 0.4 1 400 . 89 ALA C C 178.432 0.4 1 401 . 89 ALA CB C 18.499 0.4 1 402 . 90 GLU N N 126.94 0.1 1 403 . 90 GLU H H 9.018 0.02 1 404 . 90 GLU CA C 61.358 0.4 1 405 . 90 GLU C C 179.211 0.4 1 406 . 90 GLU CB C 29.81 0.4 1 407 . 91 SER N N 112.516 0.1 1 408 . 91 SER H H 8.621 0.02 1 409 . 91 SER CA C 61.598 0.4 1 410 . 91 SER C C 175.375 0.4 1 411 . 91 SER CB C 63.334 0.4 1 412 . 92 ARG N N 116.781 0.1 1 413 . 92 ARG H H 7.497 0.02 1 414 . 92 ARG CA C 57.684 0.4 1 415 . 92 ARG C C 178.307 0.4 1 416 . 92 ARG CB C 30.655 0.4 1 417 . 93 ARG N N 121.568 0.1 1 418 . 93 ARG H H 7.662 0.02 1 419 . 93 ARG CA C 61.982 0.4 1 420 . 93 ARG C C 178.874 0.4 1 421 . 93 ARG CB C 29.696 0.4 1 422 . 94 GLY N N 104.139 0.1 1 423 . 94 GLY H H 8.985 0.02 1 424 . 94 GLY CA C 47.264 0.4 1 425 . 94 GLY C C 175.147 0.4 1 426 . 95 GLU N N 119.106 0.1 1 427 . 95 GLU H H 7.527 0.02 1 428 . 95 GLU CA C 59.312 0.4 1 429 . 95 GLU C C 179.699 0.4 1 430 . 95 GLU CB C 31.327 0.4 1 431 . 96 THR N N 107.11 0.1 1 432 . 96 THR H H 7.522 0.02 1 433 . 96 THR CA C 65.36 0.4 1 434 . 96 THR C C 176.859 0.4 1 435 . 96 THR CB C 67.842 0.4 1 436 . 97 GLU N N 120.522 0.1 1 437 . 97 GLU H H 6.852 0.02 1 438 . 97 GLU CA C 59.428 0.4 1 439 . 97 GLU C C 179.554 0.4 1 440 . 97 GLU CB C 30.272 0.4 1 441 . 98 ILE N N 106.499 0.1 1 442 . 98 ILE H H 6.674 0.02 1 443 . 98 ILE CA C 63.57 0.4 1 444 . 98 ILE C C 176.665 0.4 1 445 . 98 ILE CB C 37.907 0.4 1 446 . 99 ILE N N 121.519 0.1 1 447 . 99 ILE H H 7.201 0.02 1 448 . 99 ILE CA C 61.066 0.4 1 449 . 99 ILE C C 175.551 0.4 1 450 . 99 ILE CB C 42.216 0.4 1 451 . 100 GLU N N 123.635 0.1 1 452 . 100 GLU H H 7.225 0.02 1 453 . 100 GLU CA C 61.765 0.4 1 454 . 100 GLU C C 177.305 0.4 1 455 . 100 GLU CB C 29.464 0.4 1 456 . 101 GLU N N 118.117 0.1 1 457 . 101 GLU H H 8.957 0.02 1 458 . 101 GLU CA C 60.928 0.4 1 459 . 101 GLU C C 179.27 0.4 1 460 . 101 GLU CB C 29.738 0.4 1 461 . 102 THR N N 116.224 0.1 1 462 . 102 THR H H 7.547 0.02 1 463 . 102 THR CA C 68.012 0.4 1 464 . 102 THR C C 176.326 0.4 1 465 . 102 THR CB C 69.088 0.4 1 466 . 103 VAL N N 119.505 0.1 1 467 . 103 VAL H H 7.659 0.02 1 468 . 103 VAL CA C 68.33 0.4 1 469 . 103 VAL C C 178.237 0.4 1 470 . 103 VAL CB C 31.998 0.4 1 471 . 104 GLN N N 118.241 0.1 1 472 . 104 GLN H H 8.696 0.02 1 473 . 104 GLN CA C 59.531 0.4 1 474 . 104 GLN CB C 28.113 0.4 1 475 . 105 HIS N N 115.355 0.1 1 476 . 105 HIS H H 7.311 0.02 1 477 . 105 HIS CA C 59.976 0.4 1 478 . 105 HIS C C 176.855 0.4 1 479 . 105 HIS CB C 29.76 0.4 1 480 . 106 PHE N N 114.302 0.1 1 481 . 106 PHE H H 7.195 0.02 1 482 . 106 PHE CA C 61.427 0.4 1 483 . 106 PHE C C 175.391 0.4 1 484 . 106 PHE CB C 42.192 0.4 1 485 . 107 TYR N N 119.348 0.1 1 486 . 107 TYR H H 8.01 0.02 1 487 . 107 TYR CA C 57.426 0.4 1 488 . 107 TYR CB C 39.017 0.4 1 489 . 108 PRO CA C 65.393 0.4 1 490 . 108 PRO C C 180.197 0.4 1 491 . 108 PRO CB C 31.094 0.4 1 492 . 109 GLY N N 113.309 0.1 1 493 . 109 GLY H H 8.926 0.02 1 494 . 109 GLY CA C 47.026 0.4 1 495 . 109 GLY C C 175.535 0.4 1 496 . 110 LYS N N 121.418 0.1 1 497 . 110 LYS H H 8.26 0.02 1 498 . 110 LYS CA C 55.279 0.4 1 499 . 110 LYS C C 174.099 0.4 1 500 . 110 LYS CB C 34.266 0.4 1 501 . 111 VAL N N 119.394 0.1 1 502 . 111 VAL H H 7.806 0.02 1 503 . 111 VAL CA C 63.061 0.4 1 504 . 111 VAL C C 176.529 0.4 1 505 . 111 VAL CB C 33.355 0.4 1 506 . 112 GLU N N 129.111 0.1 1 507 . 112 GLU H H 8.925 0.02 1 508 . 112 GLU CA C 55.187 0.4 1 509 . 112 GLU C C 174.7 0.4 1 510 . 112 GLU CB C 32.952 0.4 1 511 . 113 ARG N N 116.246 0.1 1 512 . 113 ARG H H 8.992 0.02 1 513 . 113 ARG CA C 56.263 0.4 1 514 . 113 ARG C C 174.503 0.4 1 515 . 113 ARG CB C 33.393 0.4 1 516 . 114 ILE N N 120.512 0.1 1 517 . 114 ILE H H 7.597 0.02 1 518 . 114 ILE CA C 58.058 0.4 1 519 . 114 ILE C C 175.257 0.4 1 520 . 114 ILE CB C 36.474 0.4 1 521 . 115 GLU N N 125.841 0.1 1 522 . 115 GLU H H 9.474 0.02 1 523 . 115 GLU CA C 55.104 0.4 1 524 . 115 GLU C C 177.096 0.4 1 525 . 115 GLU CB C 33.592 0.4 1 526 . 116 ALA N N 126.141 0.1 1 527 . 116 ALA H H 9.151 0.02 1 528 . 116 ALA CA C 53.131 0.4 1 529 . 116 ALA CB C 17.62 0.4 1 530 . 117 PRO CA C 64.861 0.4 1 531 . 117 PRO C C 177.006 0.4 1 532 . 117 PRO CB C 33.421 0.4 1 533 . 118 GLY N N 113.633 0.1 1 534 . 118 GLY H H 9.044 0.02 1 535 . 118 GLY CA C 46.59 0.4 1 536 . 118 GLY C C 172.33 0.4 1 537 . 119 THR N N 114.7 0.1 1 538 . 119 THR H H 8.585 0.02 1 539 . 119 THR CA C 60.753 0.4 1 540 . 119 THR C C 172.877 0.4 1 541 . 119 THR CB C 71.002 0.4 1 542 . 120 VAL N N 118.869 0.1 1 543 . 120 VAL H H 8.313 0.02 1 544 . 120 VAL CA C 61.652 0.4 1 545 . 120 VAL C C 174.499 0.4 1 546 . 120 VAL CB C 38.661 0.4 1 547 . 121 GLU N N 124.291 0.1 1 548 . 121 GLU H H 8.496 0.02 1 549 . 121 GLU CA C 55.457 0.4 1 550 . 121 GLU C C 176.667 0.4 1 551 . 121 GLU CB C 31.823 0.4 1 552 . 122 ALA N N 125.378 0.1 1 553 . 122 ALA H H 9.58 0.02 1 554 . 122 ALA CA C 55.868 0.4 1 555 . 122 ALA C C 178.579 0.4 1 556 . 122 ALA CB C 17.569 0.4 1 557 . 123 GLY N N 110.294 0.1 1 558 . 123 GLY H H 8.418 0.02 1 559 . 123 GLY CA C 48.594 0.4 1 560 . 123 GLY C C 173.34 0.4 1 561 . 124 ASP N N 117.296 0.1 1 562 . 124 ASP H H 8.145 0.02 1 563 . 124 ASP CA C 56.691 0.4 1 564 . 124 ASP C C 174.277 0.4 1 565 . 124 ASP CB C 41.475 0.4 1 566 . 125 ILE N N 118.929 0.1 1 567 . 125 ILE H H 7.648 0.02 1 568 . 125 ILE CA C 61.65 0.4 1 569 . 125 ILE C C 173.11 0.4 1 570 . 125 ILE CB C 39.683 0.4 1 571 . 126 MET N N 127.527 0.1 1 572 . 126 MET H H 9.221 0.02 1 573 . 126 MET CA C 54.664 0.4 1 574 . 126 MET C C 174.057 0.4 1 575 . 126 MET CB C 38.301 0.4 1 576 . 127 MET N N 129.889 0.1 1 577 . 127 MET H H 9.35 0.02 1 578 . 127 MET CA C 56.291 0.4 1 579 . 127 MET C C 175.494 0.4 1 580 . 127 MET CB C 35.108 0.4 1 581 . 128 VAL N N 132.166 0.1 1 582 . 128 VAL H H 9.263 0.02 1 583 . 128 VAL CA C 61.361 0.4 1 584 . 128 VAL C C 175.826 0.4 1 585 . 128 VAL CB C 32.434 0.4 1 586 . 129 GLY N N 120.545 0.1 1 587 . 129 GLY H H 9.402 0.02 1 588 . 129 GLY CA C 48.326 0.4 1 589 . 129 GLY C C 174.323 0.4 1 590 . 130 ASP N N 126.969 0.1 1 591 . 130 ASP H H 8.386 0.02 1 592 . 130 ASP CA C 54.867 0.4 1 593 . 130 ASP C C 172.883 0.4 1 594 . 130 ASP CB C 42.176 0.4 1 595 . 131 HIS N N 119.123 0.1 1 596 . 131 HIS H H 7.87 0.02 1 597 . 131 HIS CA C 55.551 0.4 1 598 . 131 HIS C C 172.797 0.4 1 599 . 131 HIS CB C 34.619 0.4 1 600 . 132 PHE N N 124.901 0.1 1 601 . 132 PHE H H 7.818 0.02 1 602 . 132 PHE CA C 56.779 0.4 1 603 . 132 PHE C C 174.496 0.4 1 604 . 132 PHE CB C 40.157 0.4 1 605 . 133 TYR N N 122.82 0.1 1 606 . 133 TYR H H 8.832 0.02 1 607 . 133 TYR CA C 59.3 0.4 1 608 . 133 TYR C C 175.114 0.4 1 609 . 133 TYR CB C 40.121 0.4 1 610 . 134 ILE N N 123.186 0.1 1 611 . 134 ILE H H 9.27 0.02 1 612 . 134 ILE CA C 60.824 0.4 1 613 . 134 ILE C C 175.611 0.4 1 614 . 134 ILE CB C 40.754 0.4 1 615 . 135 GLY N N 116.64 0.1 1 616 . 135 GLY H H 10.327 0.02 1 617 . 135 GLY CA C 46.495 0.4 1 618 . 135 GLY C C 171.051 0.4 1 619 . 136 GLU N N 123.374 0.1 1 620 . 136 GLU H H 8.039 0.02 1 621 . 136 GLU CA C 56.57 0.4 1 622 . 136 GLU C C 176.16 0.4 1 623 . 136 GLU CB C 30.798 0.4 1 624 . 137 SER N N 126.225 0.1 1 625 . 137 SER H H 9.201 0.02 1 626 . 137 SER CA C 57.753 0.4 1 627 . 137 SER C C 174.358 0.4 1 628 . 137 SER CB C 69.59 0.4 1 629 . 138 ALA N N 120.016 0.1 1 630 . 138 ALA H H 8.861 0.02 1 631 . 138 ALA CA C 54.823 0.4 1 632 . 138 ALA C C 178.898 0.4 1 633 . 138 ALA CB C 19.338 0.4 1 634 . 139 ARG N N 116.49 0.1 1 635 . 139 ARG H H 8.684 0.02 1 636 . 139 ARG CA C 56.134 0.4 1 637 . 139 ARG C C 176.146 0.4 1 638 . 139 ARG CB C 31.98 0.4 1 639 . 140 THR N N 122.132 0.1 1 640 . 140 THR H H 7.771 0.02 1 641 . 140 THR CA C 62.642 0.4 1 642 . 140 THR C C 174.044 0.4 1 643 . 140 THR CB C 70.115 0.4 1 644 . 141 ASN N N 120.739 0.1 1 645 . 141 ASN H H 8.168 0.02 1 646 . 141 ASN CA C 50.985 0.4 1 647 . 141 ASN C C 175.597 0.4 1 648 . 141 ASN CB C 40.32 0.4 1 649 . 142 ALA N N 121.339 0.1 1 650 . 142 ALA H H 8.449 0.02 1 651 . 142 ALA CA C 56.352 0.4 1 652 . 142 ALA C C 181.157 0.4 1 653 . 142 ALA CB C 18.905 0.4 1 654 . 143 GLU N N 118.995 0.1 1 655 . 143 GLU H H 8.538 0.02 1 656 . 143 GLU CA C 58.628 0.4 1 657 . 143 GLU C C 178.32 0.4 1 658 . 143 GLU CB C 28.876 0.4 1 659 . 144 GLY N N 110.256 0.1 1 660 . 144 GLY H H 8.842 0.02 1 661 . 144 GLY CA C 47.984 0.4 1 662 . 144 GLY C C 175.505 0.4 1 663 . 145 ALA N N 123.187 0.1 1 664 . 145 ALA H H 8.64 0.02 1 665 . 145 ALA CA C 56.626 0.4 1 666 . 145 ALA C C 178.656 0.4 1 667 . 145 ALA CB C 18.472 0.4 1 668 . 146 ARG N N 117.46 0.1 1 669 . 146 ARG H H 8.221 0.02 1 670 . 146 ARG CA C 60.658 0.4 1 671 . 146 ARG C C 180.621 0.4 1 672 . 146 ARG CB C 30.237 0.4 1 673 . 147 GLN N N 118.789 0.1 1 674 . 147 GLN H H 8.232 0.02 1 675 . 147 GLN CA C 60.349 0.4 1 676 . 147 GLN C C 179.291 0.4 1 677 . 147 GLN CB C 30.974 0.4 1 678 . 148 MET N N 117.674 0.1 1 679 . 148 MET H H 8.272 0.02 1 680 . 148 MET CA C 57.876 0.4 1 681 . 148 MET C C 177.445 0.4 1 682 . 148 MET CB C 30.804 0.4 1 683 . 149 ILE N N 119.386 0.1 1 684 . 149 ILE H H 8.342 0.02 1 685 . 149 ILE CA C 67.365 0.4 1 686 . 149 ILE C C 176.951 0.4 1 687 . 149 ILE CB C 37.986 0.4 1 688 . 150 ALA N N 120.155 0.1 1 689 . 150 ALA H H 7.635 0.02 1 690 . 150 ALA CA C 56.087 0.4 1 691 . 150 ALA C C 181.517 0.4 1 692 . 150 ALA CB C 18.233 0.4 1 693 . 151 ILE N N 120.026 0.1 1 694 . 151 ILE H H 7.881 0.02 1 695 . 151 ILE CA C 66.592 0.4 1 696 . 151 ILE C C 178.079 0.4 1 697 . 151 ILE CB C 38.774 0.4 1 698 . 152 LEU N N 119.596 0.1 1 699 . 152 LEU H H 8.332 0.02 1 700 . 152 LEU CA C 59.49 0.4 1 701 . 152 LEU C C 180.213 0.4 1 702 . 152 LEU CB C 40.325 0.4 1 703 . 153 GLU N N 118.156 0.1 1 704 . 153 GLU H H 8.6 0.02 1 705 . 153 GLU CA C 60.184 0.4 1 706 . 153 GLU C C 181.573 0.4 1 707 . 153 GLU CB C 29.854 0.4 1 708 . 154 LYS N N 122.517 0.1 1 709 . 154 LYS H H 7.721 0.02 1 710 . 154 LYS CA C 59.641 0.4 1 711 . 154 LYS C C 177.945 0.4 1 712 . 154 LYS CB C 32.3 0.4 1 713 . 155 HIS N N 115.699 0.1 1 714 . 155 HIS H H 7.328 0.02 1 715 . 155 HIS CA C 57.769 0.4 1 716 . 155 HIS C C 174.981 0.4 1 717 . 155 HIS CB C 31.927 0.4 1 718 . 156 GLY N N 107.637 0.1 1 719 . 156 GLY H H 7.894 0.02 1 720 . 156 GLY CA C 47.119 0.4 1 721 . 156 GLY C C 173.896 0.4 1 722 . 157 LEU N N 121.869 0.1 1 723 . 157 LEU H H 8.145 0.02 1 724 . 157 LEU CA C 54.043 0.4 1 725 . 157 LEU C C 174.655 0.4 1 726 . 157 LEU CB C 42.471 0.4 1 727 . 158 SER N N 111.879 0.1 1 728 . 158 SER H H 8.466 0.02 1 729 . 158 SER CA C 58.461 0.4 1 730 . 158 SER C C 173.841 0.4 1 731 . 158 SER CB C 67.118 0.4 1 732 . 159 GLY N N 104.489 0.1 1 733 . 159 GLY H H 8.538 0.02 1 734 . 159 GLY CA C 46.657 0.4 1 735 . 159 GLY C C 171.561 0.4 1 736 . 160 SER N N 113.229 0.1 1 737 . 160 SER H H 8.35 0.02 1 738 . 160 SER CA C 58.574 0.4 1 739 . 160 SER C C 171.688 0.4 1 740 . 160 SER CB C 65.889 0.4 1 741 . 161 VAL N N 119.738 0.1 1 742 . 161 VAL H H 8.512 0.02 1 743 . 161 VAL CA C 62.389 0.4 1 744 . 161 VAL C C 177.185 0.4 1 745 . 161 VAL CB C 34.367 0.4 1 746 . 162 VAL N N 128.833 0.1 1 747 . 162 VAL H H 9.204 0.02 1 748 . 162 VAL CA C 61.352 0.4 1 749 . 162 VAL C C 174.411 0.4 1 750 . 162 VAL CB C 35.465 0.4 1 751 . 163 ARG N N 126.904 0.1 1 752 . 163 ARG H H 8.797 0.02 1 753 . 163 ARG CA C 57.815 0.4 1 754 . 163 ARG C C 176.111 0.4 1 755 . 163 ARG CB C 30.837 0.4 1 756 . 164 LEU N N 121.597 0.1 1 757 . 164 LEU H H 8.144 0.02 1 758 . 164 LEU CA C 55.319 0.4 1 759 . 164 LEU C C 176.72 0.4 1 760 . 164 LEU CB C 44.4 0.4 1 761 . 165 GLU N N 120.927 0.1 1 762 . 165 GLU H H 10.702 0.02 1 763 . 165 GLU CA C 58.43 0.4 1 764 . 165 GLU C C 178.117 0.4 1 765 . 165 GLU CB C 33.589 0.4 1 766 . 166 LYS N N 118.75 0.1 1 767 . 166 LYS H H 9.626 0.02 1 768 . 166 LYS CA C 57.967 0.4 1 769 . 166 LYS C C 176.994 0.4 1 770 . 166 LYS CB C 34.687 0.4 1 771 . 167 VAL N N 111.021 0.1 1 772 . 167 VAL H H 7.078 0.02 1 773 . 167 VAL CA C 60.698 0.4 1 774 . 167 VAL C C 175.517 0.4 1 775 . 167 VAL CB C 35.655 0.4 1 776 . 168 LEU N N 120.287 0.1 1 777 . 168 LEU H H 8.13 0.02 1 778 . 168 LEU CA C 58.562 0.4 1 779 . 168 LEU C C 175.855 0.4 1 780 . 168 LEU CB C 42.947 0.4 1 781 . 169 HIS N N 108.225 0.1 1 782 . 169 HIS H H 7.138 0.02 1 783 . 169 HIS CA C 52.968 0.4 1 784 . 169 HIS C C 177.208 0.4 1 785 . 169 HIS CB C 33.963 0.4 1 786 . 170 LEU N N 123.982 0.1 1 787 . 170 LEU H H 10.111 0.02 1 788 . 170 LEU CA C 60.399 0.4 1 789 . 170 LEU C C 177.608 0.4 1 790 . 170 LEU CB C 44.615 0.4 1 791 . 171 LYS N N 107.021 0.1 1 792 . 171 LYS H H 7.182 0.02 1 793 . 171 LYS CA C 59.636 0.4 1 794 . 171 LYS C C 176.978 0.4 1 795 . 171 LYS CB C 29.969 0.4 1 796 . 172 THR N N 115.616 0.1 1 797 . 172 THR H H 7.985 0.02 1 798 . 172 THR CA C 67.517 0.4 1 799 . 172 THR C C 176.646 0.4 1 800 . 172 THR CB C 67.493 0.4 1 801 . 173 GLY N N 104.861 0.1 1 802 . 173 GLY H H 7.375 0.02 1 803 . 173 GLY CA C 46.411 0.4 1 804 . 173 GLY C C 169.614 0.4 1 805 . 174 LEU N N 120.717 0.1 1 806 . 174 LEU H H 6.441 0.02 1 807 . 174 LEU CA C 54.516 0.4 1 808 . 174 LEU C C 175.515 0.4 1 809 . 174 LEU CB C 49.754 0.4 1 810 . 175 ALA N N 118.858 0.1 1 811 . 175 ALA H H 7.972 0.02 1 812 . 175 ALA CA C 53.606 0.4 1 813 . 175 ALA C C 175.285 0.4 1 814 . 175 ALA CB C 24.324 0.4 1 815 . 176 TYR N N 123.366 0.1 1 816 . 176 TYR H H 10.004 0.02 1 817 . 176 TYR CA C 58.409 0.4 1 818 . 176 TYR C C 177.11 0.4 1 819 . 176 TYR CB C 38.337 0.4 1 820 . 177 LEU N N 129.525 0.1 1 821 . 177 LEU H H 8.571 0.02 1 822 . 177 LEU CA C 53.67 0.4 1 823 . 177 LEU CB C 41.004 0.4 1 824 . 178 GLU N N 104.543 0.1 1 825 . 178 GLU H H 4.308 0.02 1 826 . 178 GLU CA C 58.867 0.4 1 827 . 178 GLU C C 173.985 0.4 1 828 . 178 GLU CB C 28.142 0.4 1 829 . 179 HIS N N 111.641 0.1 1 830 . 179 HIS H H 8.584 0.02 1 831 . 179 HIS CA C 56.696 0.4 1 832 . 179 HIS C C 174.55 0.4 1 833 . 179 HIS CB C 26.816 0.4 1 834 . 180 ASN N N 108.872 0.1 1 835 . 180 ASN H H 8.113 0.02 1 836 . 180 ASN CA C 55.967 0.4 1 837 . 180 ASN C C 173.811 0.4 1 838 . 180 ASN CB C 41.435 0.4 1 839 . 181 ASN N N 119.317 0.1 1 840 . 181 ASN H H 7.683 0.02 1 841 . 181 ASN CA C 54.586 0.4 1 842 . 181 ASN C C 172.019 0.4 1 843 . 181 ASN CB C 40.52 0.4 1 844 . 182 LEU N N 128.212 0.1 1 845 . 182 LEU H H 8.76 0.02 1 846 . 182 LEU CA C 53.799 0.4 1 847 . 182 LEU C C 175.064 0.4 1 848 . 182 LEU CB C 48.128 0.4 1 849 . 183 LEU N N 126.527 0.1 1 850 . 183 LEU H H 9.325 0.02 1 851 . 183 LEU CA C 55.298 0.4 1 852 . 183 LEU C C 176.643 0.4 1 853 . 183 LEU CB C 42.106 0.4 1 854 . 184 ALA N N 120.811 0.1 1 855 . 184 ALA H H 8.058 0.02 1 856 . 184 ALA CA C 51.936 0.4 1 857 . 184 ALA C C 174.355 0.4 1 858 . 184 ALA CB C 23.938 0.4 1 859 . 185 ALA N N 121.893 0.1 1 860 . 185 ALA H H 8.582 0.02 1 861 . 185 ALA CA C 50.229 0.4 1 862 . 185 ALA C C 179.775 0.4 1 863 . 185 ALA CB C 24.131 0.4 1 864 . 186 GLY N N 108.399 0.1 1 865 . 186 GLY H H 8.851 0.02 1 866 . 186 GLY CA C 48.484 0.4 1 867 . 186 GLY C C 177.131 0.4 1 868 . 187 GLU N N 124.793 0.1 1 869 . 187 GLU H H 9.118 0.02 1 870 . 187 GLU CA C 58.213 0.4 1 871 . 187 GLU C C 176.08 0.4 1 872 . 187 GLU CB C 30.354 0.4 1 873 . 188 PHE N N 116.785 0.1 1 874 . 188 PHE H H 7.363 0.02 1 875 . 188 PHE CA C 61.093 0.4 1 876 . 188 PHE C C 176.251 0.4 1 877 . 188 PHE CB C 41.016 0.4 1 878 . 189 VAL N N 114.306 0.1 1 879 . 189 VAL H H 6.908 0.02 1 880 . 189 VAL CA C 67.075 0.4 1 881 . 189 VAL C C 176.502 0.4 1 882 . 189 VAL CB C 32.474 0.4 1 883 . 190 SER N N 109.183 0.1 1 884 . 190 SER H H 7.707 0.02 1 885 . 190 SER CA C 58.117 0.4 1 886 . 190 SER C C 175.555 0.4 1 887 . 190 SER CB C 64.669 0.4 1 888 . 191 LYS N N 123.622 0.1 1 889 . 191 LYS H H 7.246 0.02 1 890 . 191 LYS CA C 56.01 0.4 1 891 . 191 LYS CB C 32.169 0.4 1 892 . 192 PRO CA C 66.296 0.4 1 893 . 192 PRO C C 178.951 0.4 1 894 . 192 PRO CB C 32.465 0.4 1 895 . 193 GLU N N 117.702 0.1 1 896 . 193 GLU H H 10.419 0.02 1 897 . 193 GLU CA C 60.406 0.4 1 898 . 193 GLU C C 177.582 0.4 1 899 . 193 GLU CB C 28.658 0.4 1 900 . 194 PHE N N 115.469 0.1 1 901 . 194 PHE H H 7.302 0.02 1 902 . 194 PHE CA C 56.878 0.4 1 903 . 194 PHE C C 176.007 0.4 1 904 . 194 PHE CB C 39.48 0.4 1 905 . 195 GLN N N 114.997 0.1 1 906 . 195 GLN H H 7.205 0.02 1 907 . 195 GLN CA C 59.063 0.4 1 908 . 195 GLN C C 176.411 0.4 1 909 . 195 GLN CB C 29.236 0.4 1 910 . 196 ASP N N 117.034 0.1 1 911 . 196 ASP H H 8.63 0.02 1 912 . 196 ASP CA C 55.833 0.4 1 913 . 196 ASP C C 177.533 0.4 1 914 . 196 ASP CB C 41.273 0.4 1 915 . 197 PHE N N 118.611 0.1 1 916 . 197 PHE H H 7.602 0.02 1 917 . 197 PHE CA C 59.592 0.4 1 918 . 197 PHE C C 175.363 0.4 1 919 . 197 PHE CB C 40.588 0.4 1 920 . 198 ASN N N 118.968 0.1 1 921 . 198 ASN H H 8.871 0.02 1 922 . 198 ASN CA C 54.094 0.4 1 923 . 198 ASN C C 173.666 0.4 1 924 . 198 ASN CB C 38.123 0.4 1 925 . 199 ILE N N 126.436 0.1 1 926 . 199 ILE H H 8.135 0.02 1 927 . 199 ILE CA C 62.816 0.4 1 928 . 199 ILE C C 176.546 0.4 1 929 . 199 ILE CB C 38.614 0.4 1 930 . 200 ILE N N 133.954 0.1 1 931 . 200 ILE H H 9.491 0.02 1 932 . 200 ILE CA C 60.697 0.4 1 933 . 200 ILE C C 174.152 0.4 1 934 . 200 ILE CB C 37.507 0.4 1 935 . 201 GLU N N 126.081 0.1 1 936 . 201 GLU H H 8.302 0.02 1 937 . 201 GLU CA C 57.042 0.4 1 938 . 201 GLU C C 176.324 0.4 1 939 . 201 GLU CB C 30.306 0.4 1 940 . 202 ILE N N 130.072 0.1 1 941 . 202 ILE H H 8.516 0.02 1 942 . 202 ILE CA C 56.346 0.4 1 943 . 202 ILE CB C 37.602 0.4 1 944 . 203 PRO CA C 63.404 0.4 1 945 . 203 PRO C C 178.103 0.4 1 946 . 203 PRO CB C 32.759 0.4 1 947 . 204 GLU N N 123.102 0.1 1 948 . 204 GLU H H 8.873 0.02 1 949 . 204 GLU CA C 61.199 0.4 1 950 . 204 GLU C C 179.779 0.4 1 951 . 204 GLU CB C 30.289 0.4 1 952 . 205 GLU N N 117.54 0.1 1 953 . 205 GLU H H 9.749 0.02 1 954 . 205 GLU CA C 59.738 0.4 1 955 . 205 GLU C C 177.519 0.4 1 956 . 205 GLU CB C 29.144 0.4 1 957 . 206 GLU N N 118.461 0.1 1 958 . 206 GLU H H 8.062 0.02 1 959 . 206 GLU CA C 55.975 0.4 1 960 . 206 GLU C C 175.388 0.4 1 961 . 206 GLU CB C 30.878 0.4 1 962 . 207 SER N N 113.479 0.1 1 963 . 207 SER H H 7.27 0.02 1 964 . 207 SER CA C 64.19 0.4 1 965 . 207 SER C C 176.012 0.4 1 966 . 207 SER CB C 64.182 0.4 1 967 . 208 TYR N N 123.322 0.1 1 968 . 208 TYR H H 8.539 0.02 1 969 . 208 TYR CA C 60.997 0.4 1 970 . 208 TYR C C 177.543 0.4 1 971 . 208 TYR CB C 39.316 0.4 1 972 . 209 ALA N N 117.776 0.1 1 973 . 209 ALA H H 7.817 0.02 1 974 . 209 ALA CA C 53.298 0.4 1 975 . 209 ALA C C 172.984 0.4 1 976 . 209 ALA CB C 17.817 0.4 1 977 . 210 ALA N N 115.393 0.1 1 978 . 210 ALA H H 7.022 0.02 1 979 . 210 ALA CA C 54.384 0.4 1 980 . 210 ALA C C 173.984 0.4 1 981 . 210 ALA CB C 19.183 0.4 1 982 . 211 ASN N N 109 0.1 1 983 . 211 ASN H H 6.524 0.02 1 984 . 211 ASN CA C 53.801 0.4 1 985 . 211 ASN C C 174.056 0.4 1 986 . 211 ASN CB C 39.652 0.4 1 987 . 212 CYS N N 118.299 0.1 1 988 . 212 CYS H H 6.754 0.02 1 989 . 212 CYS CA C 58.638 0.4 1 990 . 212 CYS C C 173.086 0.4 1 991 . 212 CYS CB C 33.885 0.4 1 992 . 213 ILE N N 107.369 0.1 1 993 . 213 ILE H H 8.228 0.02 1 994 . 213 ILE CA C 59.054 0.4 1 995 . 213 ILE C C 174.235 0.4 1 996 . 213 ILE CB C 41.467 0.4 1 997 . 214 TRP N N 124.278 0.1 1 998 . 214 TRP H H 8.687 0.02 1 999 . 214 TRP CA C 57.801 0.4 1 1000 . 214 TRP C C 177.258 0.4 1 1001 . 214 TRP CB C 32.227 0.4 1 1002 . 214 TRP NE1 N 128.24 0.1 1 1003 . 214 TRP HE1 H 10.561 0.02 1 1004 . 215 VAL N N 126.784 0.1 1 1005 . 215 VAL H H 9.005 0.02 1 1006 . 215 VAL CA C 62.917 0.4 1 1007 . 215 VAL CB C 34.36 0.4 1 1008 . 216 ASN N N 120.9 0.1 1 1009 . 216 ASN H H 5.105 0.02 1 1010 . 216 ASN CA C 55.836 0.4 1 1011 . 217 GLU N N 105.288 0.1 1 1012 . 217 GLU H H 5.037 0.02 1 1013 . 217 GLU CA C 60.202 0.4 1 1014 . 217 GLU C C 175.796 0.4 1 1015 . 217 GLU CB C 26.637 0.4 1 1016 . 218 ARG N N 120.173 0.1 1 1017 . 218 ARG H H 7.208 0.02 1 1018 . 218 ARG CA C 56.345 0.4 1 1019 . 218 ARG C C 175.633 0.4 1 1020 . 218 ARG CB C 32.634 0.4 1 1021 . 219 VAL N N 120.209 0.1 1 1022 . 219 VAL H H 8.606 0.02 1 1023 . 219 VAL CA C 61.411 0.4 1 1024 . 219 VAL C C 174.469 0.4 1 1025 . 219 VAL CB C 34.936 0.4 1 1026 . 220 ILE N N 127.956 0.1 1 1027 . 220 ILE H H 8.772 0.02 1 1028 . 220 ILE CA C 60.901 0.4 1 1029 . 220 ILE C C 174 0.4 1 1030 . 220 ILE CB C 38.011 0.4 1 1031 . 221 MET N N 126.117 0.1 1 1032 . 221 MET H H 9.025 0.02 1 1033 . 221 MET CA C 52.528 0.4 1 1034 . 221 MET CB C 37.641 0.4 1 1035 . 222 PRO CA C 62.058 0.4 1 1036 . 222 PRO C C 177.463 0.4 1 1037 . 222 PRO CB C 32.613 0.4 1 1038 . 223 ALA N N 123.532 0.1 1 1039 . 223 ALA H H 7.722 0.02 1 1040 . 223 ALA CA C 52.854 0.4 1 1041 . 223 ALA C C 178.074 0.4 1 1042 . 223 ALA CB C 19.902 0.4 1 1043 . 224 GLY N N 108.757 0.1 1 1044 . 224 GLY H H 8.41 0.02 1 1045 . 224 GLY CA C 45.948 0.4 1 1046 . 224 GLY C C 174.044 0.4 1 1047 . 225 TYR N N 122.39 0.1 1 1048 . 225 TYR H H 9.316 0.02 1 1049 . 225 TYR CA C 57.681 0.4 1 1050 . 225 TYR CB C 39.2 0.4 1 1051 . 226 PRO CA C 65.778 0.4 1 1052 . 226 PRO C C 180.84 0.4 1 1053 . 226 PRO CB C 32.972 0.4 1 1054 . 227 ARG N N 123.859 0.1 1 1055 . 227 ARG H H 10.44 0.02 1 1056 . 227 ARG CA C 60.885 0.4 1 1057 . 227 ARG C C 180.957 0.4 1 1058 . 227 ARG CB C 29.946 0.4 1 1059 . 228 THR N N 123.41 0.1 1 1060 . 228 THR H H 10.304 0.02 1 1061 . 228 THR CA C 69.76 0.4 1 1062 . 228 THR C C 176.221 0.4 1 1063 . 228 THR CB C 68.571 0.4 1 1064 . 229 ARG N N 121.516 0.1 1 1065 . 229 ARG H H 8.388 0.02 1 1066 . 229 ARG CA C 61.411 0.4 1 1067 . 229 ARG C C 178.177 0.4 1 1068 . 229 ARG CB C 30.232 0.4 1 1069 . 230 GLU N N 116.09 0.1 1 1070 . 230 GLU H H 7.69 0.02 1 1071 . 230 GLU CA C 60.033 0.4 1 1072 . 230 GLU C C 179.183 0.4 1 1073 . 230 GLU CB C 29.884 0.4 1 1074 . 231 LYS N N 117.775 0.1 1 1075 . 231 LYS H H 7.532 0.02 1 1076 . 231 LYS CA C 60.944 0.4 1 1077 . 231 LYS C C 179.226 0.4 1 1078 . 231 LYS CB C 33.382 0.4 1 1079 . 232 ILE N N 117.831 0.1 1 1080 . 232 ILE H H 8.025 0.02 1 1081 . 232 ILE CA C 66.65 0.4 1 1082 . 232 ILE C C 179.175 0.4 1 1083 . 232 ILE CB C 39.146 0.4 1 1084 . 233 ALA N N 122.093 0.1 1 1085 . 233 ALA H H 8.866 0.02 1 1086 . 233 ALA CA C 56.078 0.4 1 1087 . 233 ALA C C 182.696 0.4 1 1088 . 233 ALA CB C 18.569 0.4 1 1089 . 234 ARG N N 117.543 0.1 1 1090 . 234 ARG H H 8.028 0.02 1 1091 . 234 ARG CA C 59.294 0.4 1 1092 . 234 ARG C C 178.023 0.4 1 1093 . 234 ARG CB C 30.373 0.4 1 1094 . 235 LEU N N 117.825 0.1 1 1095 . 235 LEU H H 7.427 0.02 1 1096 . 235 LEU CA C 56.163 0.4 1 1097 . 235 LEU C C 177.931 0.4 1 1098 . 235 LEU CB C 42.888 0.4 1 1099 . 236 GLY N N 104.583 0.1 1 1100 . 236 GLY H H 7.805 0.02 1 1101 . 236 GLY CA C 45.936 0.4 1 1102 . 236 GLY C C 174.28 0.4 1 1103 . 237 TYR N N 116.332 0.1 1 1104 . 237 TYR H H 6.453 0.02 1 1105 . 237 TYR CA C 58.763 0.4 1 1106 . 237 TYR C C 175.825 0.4 1 1107 . 237 TYR CB C 40.55 0.4 1 1108 . 238 ARG N N 122.179 0.1 1 1109 . 238 ARG H H 7.82 0.02 1 1110 . 238 ARG CA C 56.998 0.4 1 1111 . 238 ARG C C 175.001 0.4 1 1112 . 238 ARG CB C 30.923 0.4 1 1113 . 239 VAL N N 126.849 0.1 1 1114 . 239 VAL H H 8.434 0.02 1 1115 . 239 VAL CA C 63.215 0.4 1 1116 . 239 VAL C C 176.138 0.4 1 1117 . 239 VAL CB C 33.348 0.4 1 1118 . 240 ILE N N 130.443 0.1 1 1119 . 240 ILE H H 9.266 0.02 1 1120 . 240 ILE CA C 61.817 0.4 1 1121 . 240 ILE C C 174.751 0.4 1 1122 . 240 ILE CB C 41.012 0.4 1 1123 . 241 GLU N N 124.931 0.1 1 1124 . 241 GLU H H 8.628 0.02 1 1125 . 241 GLU CA C 55.777 0.4 1 1126 . 241 GLU C C 176.987 0.4 1 1127 . 241 GLU CB C 33.197 0.4 1 1128 . 242 VAL N N 119.416 0.1 1 1129 . 242 VAL H H 8.916 0.02 1 1130 . 242 VAL CA C 60.289 0.4 1 1131 . 242 VAL C C 175.102 0.4 1 1132 . 242 VAL CB C 34.922 0.4 1 1133 . 243 ASP N N 127.139 0.1 1 1134 . 243 ASP H H 9.058 0.02 1 1135 . 243 ASP CA C 55.482 0.4 1 1136 . 243 ASP C C 176.623 0.4 1 1137 . 243 ASP CB C 40.838 0.4 1 1138 . 244 THR N N 114.823 0.1 1 1139 . 244 THR H H 8.305 0.02 1 1140 . 244 THR CA C 61.583 0.4 1 1141 . 244 THR C C 178.063 0.4 1 1142 . 244 THR CB C 68.622 0.4 1 1143 . 245 SER N N 119.481 0.1 1 1144 . 245 SER H H 8.4 0.02 1 1145 . 245 SER CA C 63.469 0.4 1 1146 . 245 SER C C 177.052 0.4 1 1147 . 245 SER CB C 63.167 0.4 1 1148 . 246 GLU N N 121.659 0.1 1 1149 . 246 GLU H H 9.606 0.02 1 1150 . 246 GLU CA C 59.413 0.4 1 1151 . 246 GLU C C 176.74 0.4 1 1152 . 246 GLU CB C 29.178 0.4 1 1153 . 247 TYR N N 115.568 0.1 1 1154 . 247 TYR H H 7.102 0.02 1 1155 . 247 TYR CA C 61.713 0.4 1 1156 . 247 TYR C C 179.496 0.4 1 1157 . 247 TYR CB C 38.493 0.4 1 1158 . 248 ARG N N 124.13 0.1 1 1159 . 248 ARG H H 8.279 0.02 1 1160 . 248 ARG CA C 60.455 0.4 1 1161 . 248 ARG C C 179.235 0.4 1 1162 . 248 ARG CB C 29.996 0.4 1 1163 . 249 LYS N N 114.798 0.1 1 1164 . 249 LYS H H 6.875 0.02 1 1165 . 249 LYS CA C 60.395 0.4 1 1166 . 249 LYS C C 177.286 0.4 1 1167 . 249 LYS CB C 33.933 0.4 1 1168 . 250 ILE N N 109.875 0.1 1 1169 . 250 ILE H H 7.212 0.02 1 1170 . 250 ILE CA C 61.173 0.4 1 1171 . 250 ILE C C 173.979 0.4 1 1172 . 250 ILE CB C 37.363 0.4 1 1173 . 251 ASP N N 112.897 0.1 1 1174 . 251 ASP H H 7.521 0.02 1 1175 . 251 ASP CA C 57.048 0.4 1 1176 . 251 ASP C C 174.978 0.4 1 1177 . 251 ASP CB C 39.895 0.4 1 1178 . 252 GLY N N 103.997 0.1 1 1179 . 252 GLY H H 8.304 0.02 1 1180 . 252 GLY CA C 45.917 0.4 1 1181 . 252 GLY C C 173.224 0.4 1 1182 . 253 GLY N N 109.143 0.1 1 1183 . 253 GLY H H 6.892 0.02 1 1184 . 253 GLY CA C 45.067 0.4 1 1185 . 253 GLY C C 173.836 0.4 1 1186 . 254 VAL N N 113.247 0.1 1 1187 . 254 VAL H H 8.399 0.02 1 1188 . 254 VAL CA C 66.73 0.4 1 1189 . 254 VAL C C 180.345 0.4 1 1190 . 254 VAL CB C 32.965 0.4 1 1191 . 255 SER N N 122.638 0.1 1 1192 . 255 SER H H 10.433 0.02 1 1193 . 255 SER CA C 63.217 0.4 1 1194 . 255 SER C C 176.855 0.4 1 1195 . 255 SER CB C 61.388 0.4 1 1196 . 256 CYS N N 117.889 0.1 1 1197 . 256 CYS H H 7.163 0.02 1 1198 . 256 CYS CA C 58.842 0.4 1 1199 . 256 CYS C C 176.165 0.4 1 1200 . 256 CYS CB C 30.954 0.4 1 1201 . 257 MET N N 109.94 0.1 1 1202 . 257 MET H H 6.571 0.02 1 1203 . 257 MET CA C 57.155 0.4 1 1204 . 257 MET C C 175.077 0.4 1 1205 . 257 MET CB C 36.866 0.4 1 1206 . 258 SER N N 108.274 0.1 1 1207 . 258 SER H H 7.615 0.02 1 1208 . 258 SER CA C 59.756 0.4 1 1209 . 258 SER C C 173.162 0.4 1 1210 . 258 SER CB C 67.021 0.4 1 1211 . 259 LEU N N 119.603 0.1 1 1212 . 259 LEU H H 8.663 0.02 1 1213 . 259 LEU CA C 55.252 0.4 1 1214 . 259 LEU C C 175.723 0.4 1 1215 . 259 LEU CB C 44.941 0.4 1 1216 . 260 ARG N N 122.066 0.1 1 1217 . 260 ARG H H 9.405 0.02 1 1218 . 260 ARG CA C 55.347 0.4 1 1219 . 260 ARG C C 173.348 0.4 1 1220 . 260 ARG CB C 31.48 0.4 1 1221 . 261 PHE N N 125.464 0.1 1 1222 . 261 PHE H H 8.306 0.02 1 1223 . 261 PHE CA C 60.397 0.4 1 1224 . 261 PHE CB C 38.683 0.4 1 stop_ save_