data_19207 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; backbone NMR assignments for human apo-HDHD4 ; _BMRB_accession_number 19207 _BMRB_flat_file_name bmr19207.str _Entry_type original _Submission_date 2013-04-30 _Accession_date 2013-04-30 _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 Constantine Keith . . 2 Kim Soong-hoon . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 201 "13C chemical shifts" 610 "15N chemical shifts" 201 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-05-29 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 19209 'HDHD4 (complex form)' stop_ _Original_release_date 2013-05-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'design, synthesis, functional and structural characterization of an inhibitor of N-acetylneuraminate-9-phosphate phosphatase: observation of extensive dynamics in an enzyme/inhibitor complex' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Constantine Keith . . 2 Kim Soong-hoon . . stop_ _Journal_abbreviation 'Not known' _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 . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name HDHD4 _Enzyme_commission_number 'EC 3.1.3.29' loop_ _Mol_system_component_name _Mol_label HDHD4 $HDHD4 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_HDHD4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HDHD4 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 241 _Mol_residue_sequence ; MRAVFFDLDNTLIDTAGASR RGMLEVIKLLQSKYHYKEEA EIICDKVQVKLSKECFHPYN TCITDLRTSHWEEAIQETKG GAANRKLAEECYFLWKSTRL QHMTLAEDVKAMLTELRKEV RLLLLTNGDRQTQREKIEAC ACQSYFDAVVVGGEQREEKP APSIFYYCCNLLGVQPGDCV MVGDTLETDIQGGLNAGLKA TVWINKNGIVPLKSSPVPHY MVSSVLELPALLQSIDCLVP R ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 6 MET 2 7 ARG 3 8 ALA 4 9 VAL 5 10 PHE 6 11 PHE 7 12 ASP 8 13 LEU 9 14 ASP 10 15 ASN 11 16 THR 12 17 LEU 13 18 ILE 14 19 ASP 15 20 THR 16 21 ALA 17 22 GLY 18 23 ALA 19 24 SER 20 25 ARG 21 26 ARG 22 27 GLY 23 28 MET 24 29 LEU 25 30 GLU 26 31 VAL 27 32 ILE 28 33 LYS 29 34 LEU 30 35 LEU 31 36 GLN 32 37 SER 33 38 LYS 34 39 TYR 35 40 HIS 36 41 TYR 37 42 LYS 38 43 GLU 39 44 GLU 40 45 ALA 41 46 GLU 42 47 ILE 43 48 ILE 44 49 CYS 45 50 ASP 46 51 LYS 47 52 VAL 48 53 GLN 49 54 VAL 50 55 LYS 51 56 LEU 52 57 SER 53 58 LYS 54 59 GLU 55 60 CYS 56 61 PHE 57 62 HIS 58 63 PRO 59 64 TYR 60 65 ASN 61 66 THR 62 67 CYS 63 68 ILE 64 69 THR 65 70 ASP 66 71 LEU 67 72 ARG 68 73 THR 69 74 SER 70 75 HIS 71 76 TRP 72 77 GLU 73 78 GLU 74 79 ALA 75 80 ILE 76 81 GLN 77 82 GLU 78 83 THR 79 84 LYS 80 85 GLY 81 86 GLY 82 87 ALA 83 88 ALA 84 89 ASN 85 90 ARG 86 91 LYS 87 92 LEU 88 93 ALA 89 94 GLU 90 95 GLU 91 96 CYS 92 97 TYR 93 98 PHE 94 99 LEU 95 100 TRP 96 101 LYS 97 102 SER 98 103 THR 99 104 ARG 100 105 LEU 101 106 GLN 102 107 HIS 103 108 MET 104 109 THR 105 110 LEU 106 111 ALA 107 112 GLU 108 113 ASP 109 114 VAL 110 115 LYS 111 116 ALA 112 117 MET 113 118 LEU 114 119 THR 115 120 GLU 116 121 LEU 117 122 ARG 118 123 LYS 119 124 GLU 120 125 VAL 121 126 ARG 122 127 LEU 123 128 LEU 124 129 LEU 125 130 LEU 126 131 THR 127 132 ASN 128 133 GLY 129 134 ASP 130 135 ARG 131 136 GLN 132 137 THR 133 138 GLN 134 139 ARG 135 140 GLU 136 141 LYS 137 142 ILE 138 143 GLU 139 144 ALA 140 145 CYS 141 146 ALA 142 147 CYS 143 148 GLN 144 149 SER 145 150 TYR 146 151 PHE 147 152 ASP 148 153 ALA 149 154 VAL 150 155 VAL 151 156 VAL 152 157 GLY 153 158 GLY 154 159 GLU 155 160 GLN 156 161 ARG 157 162 GLU 158 163 GLU 159 164 LYS 160 165 PRO 161 166 ALA 162 167 PRO 163 168 SER 164 169 ILE 165 170 PHE 166 171 TYR 167 172 TYR 168 173 CYS 169 174 CYS 170 175 ASN 171 176 LEU 172 177 LEU 173 178 GLY 174 179 VAL 175 180 GLN 176 181 PRO 177 182 GLY 178 183 ASP 179 184 CYS 180 185 VAL 181 186 MET 182 187 VAL 183 188 GLY 184 189 ASP 185 190 THR 186 191 LEU 187 192 GLU 188 193 THR 189 194 ASP 190 195 ILE 191 196 GLN 192 197 GLY 193 198 GLY 194 199 LEU 195 200 ASN 196 201 ALA 197 202 GLY 198 203 LEU 199 204 LYS 200 205 ALA 201 206 THR 202 207 VAL 203 208 TRP 204 209 ILE 205 210 ASN 206 211 LYS 207 212 ASN 208 213 GLY 209 214 ILE 210 215 VAL 211 216 PRO 212 217 LEU 213 218 LYS 214 219 SER 215 220 SER 216 221 PRO 217 222 VAL 218 223 PRO 219 224 HIS 220 225 TYR 221 226 MET 222 227 VAL 223 228 SER 224 229 SER 225 230 VAL 226 231 LEU 227 232 GLU 228 233 LEU 229 234 PRO 230 235 ALA 231 236 LEU 232 237 LEU 233 238 GLN 234 239 SER 235 240 ILE 236 241 ASP 237 242 CYS 238 243 LEU 239 244 VAL 240 245 PRO 241 246 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 19209 HDHD4 100.00 241 100.00 100.00 1.72e-178 PDB 2W4M "The Crystal Structure Of Human N-Acetylneuraminic Acid Phosphatase, Nanp" 99.17 270 99.16 99.58 4.43e-175 PDB 4KNV "The Crystal Structure Of Apo Human Hdhd4 From Se-mad" 99.59 241 97.92 97.92 1.91e-172 DBJ BAG51524 "unnamed protein product [Homo sapiens]" 99.17 248 99.16 99.58 2.69e-175 GB AAH22552 "N-acetylneuraminic acid phosphatase [Homo sapiens]" 99.17 248 99.16 99.58 2.69e-175 GB ACE86671 "N-acetylneuraminic acid phosphatase protein [synthetic construct]" 99.17 248 99.16 99.58 2.69e-175 GB ACE87355 "N-acetylneuraminic acid phosphatase protein [synthetic construct]" 99.17 248 99.16 99.58 2.69e-175 GB ADQ31846 "N-acetylneuraminic acid phosphatase [synthetic construct]" 99.17 248 99.16 99.58 2.69e-175 GB AIC53137 "NANP, partial [synthetic construct]" 99.17 248 99.16 99.58 2.69e-175 REF NP_001253086 "N-acylneuraminate-9-phosphatase [Macaca mulatta]" 97.93 248 98.73 99.58 1.87e-172 REF NP_689880 "N-acylneuraminate-9-phosphatase [Homo sapiens]" 99.17 248 99.16 99.58 2.69e-175 REF XP_002747573 "PREDICTED: N-acylneuraminate-9-phosphatase [Callithrix jacchus]" 99.17 296 97.49 99.58 4.58e-172 REF XP_002830094 "PREDICTED: N-acylneuraminate-9-phosphatase [Pongo abelii]" 97.93 368 99.58 100.00 7.49e-173 REF XP_003278554 "PREDICTED: N-acylneuraminate-9-phosphatase [Nomascus leucogenys]" 97.93 248 98.73 100.00 5.02e-173 SP Q8TBE9 "RecName: Full=N-acylneuraminate-9-phosphatase; AltName: Full=Haloacid dehalogenase-like hydrolase domain-containing protein 4; " 99.17 248 99.16 99.58 2.69e-175 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HDHD4 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 $HDHD4 'recombinant technology' . Escherichia coli . pET28b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'apo HDHD4, 1.0 mM, 2H/13C/15N labeled' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HDHD4 1.0 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' d-TrisHCL 25 mM 'natural abundance' NaCl 50 mM 'natural abundance' d-DTT 1 mM 'natural abundance' d-BME 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Felix _Saveframe_category software _Name FELIX _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details 'in-house modified' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCACO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '25 mM d-TrisHCL, 50 mM NaCl, 5 mM d-DTT, 1 mM d-BME, pH7.5' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 7.5 . pH pressure 1 . atm temperature 293 . 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 water C 13 protons ppm 0.0 internal indirect . . . 0.251449530 water H 1 protons ppm 4.84 internal direct . . . 1 water N 15 protons ppm 0.0 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HNCA' '3D HNCACB' '3D HCACO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name HDHD4 _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 7 2 ARG H H 9.23 0.02 1 2 7 2 ARG C C 176.70 0.30 1 3 7 2 ARG CA C 54.68 0.30 1 4 7 2 ARG CB C 31.46 0.30 1 5 7 2 ARG N N 122.50 0.15 1 6 8 3 ALA H H 7.75 0.02 1 7 8 3 ALA C C 174.40 0.30 1 8 8 3 ALA CA C 50.90 0.30 1 9 8 3 ALA CB C 22.29 0.30 1 10 8 3 ALA N N 120.50 0.15 1 11 9 4 VAL H H 8.84 0.02 1 12 9 4 VAL C C 173.50 0.30 1 13 9 4 VAL CA C 60.37 0.30 1 14 9 4 VAL CB C 33.12 0.30 1 15 9 4 VAL N N 119.90 0.15 1 16 10 5 PHE H H 9.43 0.02 1 17 10 5 PHE C C 174.30 0.30 1 18 10 5 PHE CB C 38.33 0.30 1 19 10 5 PHE N N 126.80 0.15 1 20 11 6 PHE H H 9.72 0.02 1 21 11 6 PHE C C 175.70 0.30 1 22 11 6 PHE CA C 56.90 0.30 1 23 11 6 PHE CB C 42.10 0.30 1 24 11 6 PHE N N 119.40 0.15 1 25 12 7 ASP H H 8.17 0.02 1 26 12 7 ASP C C 172.90 0.30 1 27 12 7 ASP CA C 52.91 0.30 1 28 12 7 ASP CB C 43.51 0.30 1 29 12 7 ASP N N 120.40 0.15 1 30 16 11 THR C C 174.50 0.30 1 31 16 11 THR CA C 65.83 0.30 1 32 17 12 LEU H H 7.93 0.02 1 33 17 12 LEU C C 175.40 0.30 1 34 17 12 LEU CA C 54.79 0.30 1 35 17 12 LEU CB C 44.17 0.30 1 36 17 12 LEU N N 116.10 0.15 1 37 18 13 ILE H H 7.07 0.02 1 38 18 13 ILE C C 175.80 0.30 1 39 18 13 ILE CA C 58.22 0.30 1 40 18 13 ILE CB C 41.79 0.30 1 41 18 13 ILE N N 107.40 0.15 1 42 19 14 ASP H H 9.32 0.02 1 43 19 14 ASP C C 175.90 0.30 1 44 19 14 ASP CA C 51.31 0.30 1 45 19 14 ASP CB C 37.81 0.30 1 46 19 14 ASP N N 124.00 0.15 1 47 20 15 THR H H 8.04 0.02 1 48 20 15 THR C C 177.40 0.30 1 49 20 15 THR CA C 67.45 0.30 1 50 20 15 THR N N 124.50 0.15 1 51 21 16 ALA H H 9.37 0.02 1 52 21 16 ALA C C 181.20 0.30 1 53 21 16 ALA CA C 55.14 0.30 1 54 21 16 ALA CB C 16.94 0.30 1 55 21 16 ALA N N 126.30 0.15 1 56 22 17 GLY H H 8.55 0.02 1 57 22 17 GLY C C 177.10 0.30 1 58 22 17 GLY CA C 46.66 0.30 1 59 22 17 GLY N N 109.60 0.15 1 60 23 18 ALA H H 8.53 0.02 1 61 23 18 ALA C C 179.80 0.30 1 62 23 18 ALA CA C 54.97 0.30 1 63 23 18 ALA CB C 18.04 0.30 1 64 23 18 ALA N N 126.60 0.15 1 65 24 19 SER H H 8.47 0.02 1 66 24 19 SER C C 175.90 0.30 1 67 24 19 SER CA C 62.06 0.30 1 68 24 19 SER N N 114.10 0.15 1 69 25 20 ARG H H 7.86 0.02 1 70 25 20 ARG C C 178.80 0.30 1 71 25 20 ARG CA C 58.54 0.30 1 72 25 20 ARG CB C 28.08 0.30 1 73 25 20 ARG N N 121.90 0.15 1 74 26 21 ARG H H 7.95 0.02 1 75 26 21 ARG C C 179.70 0.30 1 76 26 21 ARG CA C 58.31 0.30 1 77 26 21 ARG CB C 27.37 0.30 1 78 26 21 ARG N N 118.90 0.15 1 79 27 22 GLY H H 8.16 0.02 1 80 27 22 GLY C C 174.90 0.30 1 81 27 22 GLY CA C 47.77 0.30 1 82 27 22 GLY N N 107.00 0.15 1 83 28 23 MET H H 8.39 0.02 1 84 28 23 MET C C 178.30 0.30 1 85 28 23 MET CA C 57.50 0.30 1 86 28 23 MET CB C 30.81 0.30 1 87 28 23 MET N N 120.10 0.15 1 88 29 24 LEU H H 8.51 0.02 1 89 29 24 LEU C C 180.60 0.30 1 90 29 24 LEU CA C 57.86 0.30 1 91 29 24 LEU CB C 40.18 0.30 1 92 29 24 LEU N N 118.30 0.15 1 93 30 25 GLU H H 7.95 0.02 1 94 30 25 GLU C C 179.30 0.30 1 95 30 25 GLU CA C 58.04 0.30 1 96 30 25 GLU CB C 27.80 0.30 1 97 30 25 GLU N N 118.10 0.15 1 98 31 26 VAL H H 8.07 0.02 1 99 31 26 VAL C C 177.80 0.30 1 100 31 26 VAL CA C 66.95 0.30 1 101 31 26 VAL N N 122.90 0.15 1 102 32 27 ILE C C 177.50 0.30 1 103 32 27 ILE CA C 66.80 0.30 1 104 32 27 ILE CB C 37.91 0.30 1 105 33 28 LYS H H 7.59 0.02 1 106 33 28 LYS C C 179.70 0.30 1 107 33 28 LYS CA C 58.91 0.30 1 108 33 28 LYS CB C 31.01 0.30 1 109 33 28 LYS N N 117.10 0.15 1 110 34 29 LEU H H 8.02 0.02 1 111 34 29 LEU C C 178.90 0.30 1 112 34 29 LEU CA C 58.09 0.30 1 113 34 29 LEU CB C 41.13 0.30 1 114 34 29 LEU N N 123.80 0.15 1 115 35 30 LEU H H 9.03 0.02 1 116 35 30 LEU C C 180.10 0.30 1 117 35 30 LEU CA C 57.40 0.30 1 118 35 30 LEU CB C 39.81 0.30 1 119 35 30 LEU N N 118.00 0.15 1 120 36 31 GLN H H 8.57 0.02 1 121 36 31 GLN C C 178.30 0.30 1 122 36 31 GLN CA C 57.94 0.30 1 123 36 31 GLN CB C 27.13 0.30 1 124 36 31 GLN N N 115.20 0.15 1 125 37 32 SER H H 8.60 0.02 1 126 37 32 SER C C 174.90 0.30 1 127 37 32 SER CA C 60.21 0.30 1 128 37 32 SER CB C 62.88 0.30 1 129 37 32 SER N N 114.50 0.15 1 130 38 33 LYS H H 8.53 0.02 1 131 38 33 LYS C C 177.20 0.30 1 132 38 33 LYS CA C 57.49 0.30 1 133 38 33 LYS CB C 32.40 0.30 1 134 38 33 LYS N N 121.90 0.15 1 135 39 34 TYR H H 6.39 0.02 1 136 39 34 TYR C C 175.10 0.30 1 137 39 34 TYR CA C 57.71 0.30 1 138 39 34 TYR CB C 37.76 0.30 1 139 39 34 TYR N N 112.00 0.15 1 140 40 35 HIS H H 6.85 0.02 1 141 40 35 HIS C C 175.30 0.30 1 142 40 35 HIS CA C 56.64 0.30 1 143 40 35 HIS CB C 25.94 0.30 1 144 40 35 HIS N N 112.30 0.15 1 145 41 36 TYR H H 8.74 0.02 1 146 41 36 TYR C C 176.20 0.30 1 147 41 36 TYR CA C 56.74 0.30 1 148 41 36 TYR CB C 37.12 0.30 1 149 41 36 TYR N N 121.70 0.15 1 150 42 37 LYS H H 8.70 0.02 1 151 42 37 LYS C C 178.60 0.30 1 152 42 37 LYS CA C 55.02 0.30 1 153 42 37 LYS CB C 29.68 0.30 1 154 42 37 LYS N N 121.80 0.15 1 155 43 38 GLU H H 9.47 0.02 1 156 43 38 GLU C C 177.50 0.30 1 157 43 38 GLU CA C 59.36 0.30 1 158 43 38 GLU CB C 27.02 0.30 1 159 43 38 GLU N N 125.50 0.15 1 160 44 39 GLU H H 10.51 0.02 1 161 44 39 GLU C C 177.80 0.30 1 162 44 39 GLU CA C 58.01 0.30 1 163 44 39 GLU CB C 26.59 0.30 1 164 44 39 GLU N N 121.90 0.15 1 165 45 40 ALA H H 8.09 0.02 1 166 45 40 ALA C C 178.30 0.30 1 167 45 40 ALA CA C 55.35 0.30 1 168 45 40 ALA CB C 19.03 0.30 1 169 45 40 ALA N N 122.40 0.15 1 170 46 41 GLU H H 8.12 0.02 1 171 46 41 GLU C C 178.20 0.30 1 172 46 41 GLU CA C 59.14 0.30 1 173 46 41 GLU CB C 28.49 0.30 1 174 46 41 GLU N N 116.00 0.15 1 175 47 42 ILE H H 6.95 0.02 1 176 47 42 ILE C C 178.80 0.30 1 177 47 42 ILE CA C 63.94 0.30 1 178 47 42 ILE CB C 36.88 0.30 1 179 47 42 ILE N N 119.00 0.15 1 180 48 43 ILE H H 8.01 0.02 1 181 48 43 ILE C C 177.00 0.30 1 182 48 43 ILE CA C 65.66 0.30 1 183 48 43 ILE CB C 37.39 0.30 1 184 48 43 ILE N N 119.80 0.15 1 185 49 44 CYS H H 7.39 0.02 1 186 49 44 CYS C C 177.00 0.30 1 187 49 44 CYS CA C 63.95 0.30 1 188 49 44 CYS CB C 26.50 0.30 1 189 49 44 CYS N N 116.20 0.15 1 190 50 45 ASP H H 8.32 0.02 1 191 50 45 ASP C C 179.00 0.30 1 192 50 45 ASP CA C 57.27 0.30 1 193 50 45 ASP CB C 39.28 0.30 1 194 50 45 ASP N N 121.00 0.15 1 195 51 46 LYS H H 8.11 0.02 1 196 51 46 LYS C C 180.30 0.30 1 197 51 46 LYS CA C 59.10 0.30 1 198 51 46 LYS CB C 32.49 0.30 1 199 51 46 LYS N N 119.60 0.15 1 200 52 47 VAL H H 7.85 0.02 1 201 52 47 VAL C C 176.70 0.30 1 202 52 47 VAL CA C 66.89 0.30 1 203 52 47 VAL CB C 28.87 0.30 1 204 52 47 VAL N N 120.70 0.15 1 205 53 48 GLN H H 7.96 0.02 1 206 53 48 GLN C C 178.80 0.30 1 207 53 48 GLN CA C 58.45 0.30 1 208 53 48 GLN CB C 27.31 0.30 1 209 53 48 GLN N N 118.90 0.15 1 210 54 49 VAL H H 7.54 0.02 1 211 54 49 VAL C C 179.50 0.30 1 212 54 49 VAL CA C 65.85 0.30 1 213 54 49 VAL CB C 30.42 0.30 1 214 54 49 VAL N N 118.70 0.15 1 215 55 50 LYS H H 7.54 0.02 1 216 55 50 LYS C C 179.40 0.30 1 217 55 50 LYS CA C 59.28 0.30 1 218 55 50 LYS CB C 30.37 0.30 1 219 55 50 LYS N N 121.80 0.15 1 220 56 51 LEU H H 8.36 0.02 1 221 56 51 LEU C C 178.90 0.30 1 222 56 51 LEU CA C 57.04 0.30 1 223 56 51 LEU CB C 41.34 0.30 1 224 56 51 LEU N N 119.10 0.15 1 225 57 52 SER H H 7.58 0.02 1 226 57 52 SER C C 174.70 0.30 1 227 57 52 SER CA C 59.70 0.30 1 228 57 52 SER CB C 62.97 0.30 1 229 57 52 SER N N 113.00 0.15 1 230 58 53 LYS H H 7.29 0.02 1 231 58 53 LYS C C 176.60 0.30 1 232 58 53 LYS CA C 55.77 0.30 1 233 58 53 LYS CB C 31.44 0.30 1 234 58 53 LYS N N 121.40 0.15 1 235 74 69 SER C C 175.90 0.30 1 236 74 69 SER CA C 61.90 0.30 1 237 75 70 HIS H H 7.46 0.02 1 238 75 70 HIS C C 178.70 0.30 1 239 75 70 HIS CA C 57.42 0.30 1 240 75 70 HIS CB C 30.83 0.30 1 241 75 70 HIS N N 120.20 0.15 1 242 76 71 TRP H H 7.18 0.02 1 243 76 71 TRP C C 177.30 0.30 1 244 76 71 TRP CA C 60.30 0.30 1 245 76 71 TRP CB C 28.16 0.30 1 246 76 71 TRP N N 117.80 0.15 1 247 77 72 GLU H H 8.32 0.02 1 248 77 72 GLU C C 179.50 0.30 1 249 77 72 GLU CA C 60.08 0.30 1 250 77 72 GLU CB C 30.31 0.30 1 251 77 72 GLU N N 121.00 0.15 1 252 78 73 GLU H H 8.84 0.02 1 253 78 73 GLU C C 178.00 0.30 1 254 78 73 GLU CA C 58.18 0.30 1 255 78 73 GLU CB C 28.87 0.30 1 256 78 73 GLU N N 118.50 0.15 1 257 79 74 ALA H H 8.25 0.02 1 258 79 74 ALA C C 180.70 0.30 1 259 79 74 ALA CA C 54.82 0.30 1 260 79 74 ALA CB C 19.86 0.30 1 261 79 74 ALA N N 120.80 0.15 1 262 80 75 ILE H H 8.81 0.02 1 263 80 75 ILE C C 177.70 0.30 1 264 80 75 ILE CA C 65.93 0.30 1 265 80 75 ILE CB C 37.78 0.30 1 266 80 75 ILE N N 119.10 0.15 1 267 81 76 GLN H H 8.10 0.02 1 268 81 76 GLN C C 179.60 0.30 1 269 81 76 GLN CA C 59.36 0.30 1 270 81 76 GLN CB C 27.52 0.30 1 271 81 76 GLN N N 121.70 0.15 1 272 82 77 GLU H H 9.09 0.02 1 273 82 77 GLU C C 177.90 0.30 1 274 82 77 GLU CA C 58.08 0.30 1 275 82 77 GLU CB C 29.24 0.30 1 276 82 77 GLU N N 117.80 0.15 1 277 83 78 THR H H 7.44 0.02 1 278 83 78 THR C C 175.30 0.30 1 279 83 78 THR CA C 65.17 0.30 1 280 83 78 THR CB C 68.80 0.30 1 281 83 78 THR N N 112.90 0.15 1 282 84 79 LYS H H 8.88 0.02 1 283 84 79 LYS C C 178.00 0.30 1 284 84 79 LYS CA C 54.11 0.30 1 285 84 79 LYS CB C 30.21 0.30 1 286 84 79 LYS N N 118.40 0.15 1 287 85 80 GLY H H 7.99 0.02 1 288 85 80 GLY C C 173.70 0.30 1 289 85 80 GLY CA C 44.00 0.30 1 290 85 80 GLY N N 109.10 0.15 1 291 86 81 GLY H H 8.31 0.02 1 292 86 81 GLY C C 173.70 0.30 1 293 86 81 GLY CA C 43.89 0.30 1 294 86 81 GLY N N 106.00 0.15 1 295 87 82 ALA H H 8.28 0.02 1 296 87 82 ALA C C 178.30 0.30 1 297 87 82 ALA CA C 51.02 0.30 1 298 87 82 ALA CB C 18.30 0.30 1 299 87 82 ALA N N 121.90 0.15 1 300 88 83 ALA H H 8.68 0.02 1 301 88 83 ALA C C 177.50 0.30 1 302 88 83 ALA CA C 52.53 0.30 1 303 88 83 ALA CB C 17.18 0.30 1 304 88 83 ALA N N 125.50 0.15 1 305 89 84 ASN H H 9.20 0.02 1 306 89 84 ASN C C 174.20 0.30 1 307 89 84 ASN CA C 50.38 0.30 1 308 89 84 ASN CB C 37.33 0.30 1 309 89 84 ASN N N 123.00 0.15 1 310 90 85 ARG H H 8.49 0.02 1 311 90 85 ARG C C 177.80 0.30 1 312 90 85 ARG CA C 57.85 0.30 1 313 90 85 ARG CB C 28.21 0.30 1 314 90 85 ARG N N 124.70 0.15 1 315 91 86 LYS H H 8.35 0.02 1 316 91 86 LYS C C 179.90 0.30 1 317 91 86 LYS CA C 58.68 0.30 1 318 91 86 LYS CB C 30.47 0.30 1 319 91 86 LYS N N 117.90 0.15 1 320 92 87 LEU H H 7.48 0.02 1 321 92 87 LEU C C 178.30 0.30 1 322 92 87 LEU CA C 56.35 0.30 1 323 92 87 LEU CB C 41.17 0.30 1 324 92 87 LEU N N 121.90 0.15 1 325 93 88 ALA H H 7.88 0.02 1 326 93 88 ALA C C 178.80 0.30 1 327 93 88 ALA CA C 55.36 0.30 1 328 93 88 ALA CB C 17.44 0.30 1 329 93 88 ALA N N 121.50 0.15 1 330 94 89 GLU H H 8.57 0.02 1 331 94 89 GLU C C 177.50 0.30 1 332 94 89 GLU CA C 59.20 0.30 1 333 94 89 GLU CB C 28.81 0.30 1 334 94 89 GLU N N 116.10 0.15 1 335 95 90 GLU H H 7.79 0.02 1 336 95 90 GLU C C 180.10 0.30 1 337 95 90 GLU CA C 59.19 0.30 1 338 95 90 GLU CB C 28.79 0.30 1 339 95 90 GLU N N 120.70 0.15 1 340 96 91 CYS H H 8.14 0.02 1 341 96 91 CYS C C 175.20 0.30 1 342 96 91 CYS CA C 63.64 0.30 1 343 96 91 CYS CB C 26.23 0.30 1 344 96 91 CYS N N 116.50 0.15 1 345 97 92 TYR H H 8.20 0.02 1 346 97 92 TYR C C 177.10 0.30 1 347 97 92 TYR CA C 61.16 0.30 1 348 97 92 TYR CB C 37.43 0.30 1 349 97 92 TYR N N 119.00 0.15 1 350 98 93 PHE H H 8.78 0.02 1 351 98 93 PHE C C 179.00 0.30 1 352 98 93 PHE CA C 61.02 0.30 1 353 98 93 PHE CB C 36.55 0.30 1 354 98 93 PHE N N 115.00 0.15 1 355 99 94 LEU H H 7.72 0.02 1 356 99 94 LEU C C 179.10 0.30 1 357 99 94 LEU CA C 57.16 0.30 1 358 99 94 LEU CB C 40.29 0.30 1 359 99 94 LEU N N 123.10 0.15 1 360 100 95 TRP H H 8.71 0.02 1 361 100 95 TRP C C 176.90 0.30 1 362 100 95 TRP CA C 62.43 0.30 1 363 100 95 TRP CB C 27.29 0.30 1 364 100 95 TRP N N 125.80 0.15 1 365 101 96 LYS H H 8.96 0.02 1 366 101 96 LYS C C 178.00 0.30 1 367 101 96 LYS CA C 58.92 0.30 1 368 101 96 LYS CB C 32.08 0.30 1 369 101 96 LYS N N 118.20 0.15 1 370 102 97 SER H H 8.42 0.02 1 371 102 97 SER C C 178.00 0.30 1 372 102 97 SER CA C 60.76 0.30 1 373 102 97 SER CB C 61.77 0.30 1 374 102 97 SER N N 112.40 0.15 1 375 103 98 THR H H 8.07 0.02 1 376 103 98 THR C C 176.30 0.30 1 377 103 98 THR CA C 66.56 0.30 1 378 103 98 THR CB C 67.90 0.30 1 379 103 98 THR N N 118.10 0.15 1 380 104 99 ARG H H 8.22 0.02 1 381 104 99 ARG C C 178.10 0.30 1 382 104 99 ARG CA C 58.57 0.30 1 383 104 99 ARG CB C 28.66 0.30 1 384 104 99 ARG N N 120.80 0.15 1 385 105 100 LEU H H 7.56 0.02 1 386 105 100 LEU C C 179.50 0.30 1 387 105 100 LEU CA C 57.33 0.30 1 388 105 100 LEU CB C 40.05 0.30 1 389 105 100 LEU N N 118.30 0.15 1 390 106 101 GLN H H 7.47 0.02 1 391 106 101 GLN C C 176.50 0.30 1 392 106 101 GLN CA C 57.16 0.30 1 393 106 101 GLN CB C 27.61 0.30 1 394 106 101 GLN N N 116.90 0.15 1 395 107 102 HIS H H 7.30 0.02 1 396 107 102 HIS C C 174.40 0.30 1 397 107 102 HIS CA C 56.26 0.30 1 398 107 102 HIS CB C 30.08 0.30 1 399 107 102 HIS N N 115.20 0.15 1 400 108 103 MET H H 7.34 0.02 1 401 108 103 MET C C 172.80 0.30 1 402 108 103 MET CA C 55.18 0.30 1 403 108 103 MET CB C 30.40 0.30 1 404 108 103 MET N N 122.40 0.15 1 405 109 104 THR H H 7.64 0.02 1 406 109 104 THR C C 173.90 0.30 1 407 109 104 THR CA C 59.40 0.30 1 408 109 104 THR CB C 70.76 0.30 1 409 109 104 THR N N 112.30 0.15 1 410 110 105 LEU H H 8.93 0.02 1 411 110 105 LEU C C 176.10 0.30 1 412 110 105 LEU CA C 53.25 0.30 1 413 110 105 LEU CB C 42.08 0.30 1 414 110 105 LEU N N 123.80 0.15 1 415 111 106 ALA H H 8.99 0.02 1 416 111 106 ALA C C 178.60 0.30 1 417 111 106 ALA CA C 51.28 0.30 1 418 111 106 ALA CB C 18.56 0.30 1 419 111 106 ALA N N 127.20 0.15 1 420 112 107 GLU H H 9.07 0.02 1 421 112 107 GLU C C 179.20 0.30 1 422 112 107 GLU CA C 59.35 0.30 1 423 112 107 GLU CB C 28.01 0.30 1 424 112 107 GLU N N 121.30 0.15 1 425 113 108 ASP H H 8.83 0.02 1 426 113 108 ASP C C 179.20 0.30 1 427 113 108 ASP CA C 55.72 0.30 1 428 113 108 ASP CB C 37.82 0.30 1 429 113 108 ASP N N 117.30 0.15 1 430 114 109 VAL H H 7.44 0.02 1 431 114 109 VAL C C 177.30 0.30 1 432 114 109 VAL CA C 66.08 0.30 1 433 114 109 VAL CB C 30.44 0.30 1 434 114 109 VAL N N 125.30 0.15 1 435 115 110 LYS H H 8.23 0.02 1 436 115 110 LYS C C 179.10 0.30 1 437 115 110 LYS CA C 60.27 0.30 1 438 115 110 LYS CB C 31.49 0.30 1 439 115 110 LYS N N 119.80 0.15 1 440 116 111 ALA H H 7.90 0.02 1 441 116 111 ALA C C 179.70 0.30 1 442 116 111 ALA CA C 54.56 0.30 1 443 116 111 ALA CB C 16.71 0.30 1 444 116 111 ALA N N 120.90 0.15 1 445 117 112 MET H H 7.66 0.02 1 446 117 112 MET C C 178.70 0.30 1 447 117 112 MET CA C 58.68 0.30 1 448 117 112 MET CB C 29.69 0.30 1 449 117 112 MET N N 119.90 0.15 1 450 118 113 LEU H H 8.58 0.02 1 451 118 113 LEU C C 180.60 0.30 1 452 118 113 LEU CA C 57.54 0.30 1 453 118 113 LEU CB C 40.05 0.30 1 454 118 113 LEU N N 119.40 0.15 1 455 119 114 THR H H 8.33 0.02 1 456 119 114 THR C C 176.20 0.30 1 457 119 114 THR CA C 66.92 0.30 1 458 119 114 THR CB C 68.15 0.30 1 459 119 114 THR N N 117.90 0.15 1 460 120 115 GLU H H 7.82 0.02 1 461 120 115 GLU C C 180.30 0.30 1 462 120 115 GLU CA C 58.32 0.30 1 463 120 115 GLU CB C 28.23 0.30 1 464 120 115 GLU N N 120.40 0.15 1 465 121 116 LEU H H 8.70 0.02 1 466 121 116 LEU C C 178.80 0.30 1 467 121 116 LEU CA C 57.24 0.30 1 468 121 116 LEU CB C 41.58 0.30 1 469 121 116 LEU N N 120.50 0.15 1 470 122 117 ARG H H 7.66 0.02 1 471 122 117 ARG C C 176.60 0.30 1 472 122 117 ARG CA C 56.23 0.30 1 473 122 117 ARG CB C 29.72 0.30 1 474 122 117 ARG N N 117.50 0.15 1 475 123 118 LYS H H 7.25 0.02 1 476 123 118 LYS C C 177.90 0.30 1 477 123 118 LYS CA C 58.31 0.30 1 478 123 118 LYS CB C 31.77 0.30 1 479 123 118 LYS N N 114.70 0.15 1 480 124 119 GLU H H 7.88 0.02 1 481 124 119 GLU C C 176.00 0.30 1 482 124 119 GLU CA C 56.19 0.30 1 483 124 119 GLU CB C 32.19 0.30 1 484 124 119 GLU N N 114.20 0.15 1 485 125 120 VAL H H 8.09 0.02 1 486 125 120 VAL C C 173.90 0.30 1 487 125 120 VAL CA C 58.75 0.30 1 488 125 120 VAL CB C 34.58 0.30 1 489 125 120 VAL N N 113.70 0.15 1 490 126 121 ARG H H 7.63 0.02 1 491 126 121 ARG C C 176.20 0.30 1 492 126 121 ARG CA C 54.73 0.30 1 493 126 121 ARG CB C 30.77 0.30 1 494 126 121 ARG N N 117.20 0.15 1 495 127 122 LEU H H 9.50 0.02 1 496 127 122 LEU C C 176.20 0.30 1 497 127 122 LEU CA C 52.82 0.30 1 498 127 122 LEU CB C 45.84 0.30 1 499 127 122 LEU N N 119.80 0.15 1 500 128 123 LEU H H 9.29 0.02 1 501 128 123 LEU C C 172.70 0.30 1 502 128 123 LEU CA C 53.18 0.30 1 503 128 123 LEU CB C 45.18 0.30 1 504 128 123 LEU N N 126.60 0.15 1 505 129 124 LEU H H 8.23 0.02 1 506 129 124 LEU C C 172.80 0.30 1 507 129 124 LEU CA C 52.90 0.30 1 508 129 124 LEU CB C 42.47 0.30 1 509 129 124 LEU N N 131.10 0.15 1 510 130 125 LEU H H 9.14 0.02 1 511 130 125 LEU C C 174.20 0.30 1 512 130 125 LEU CA C 52.85 0.30 1 513 130 125 LEU CB C 42.11 0.30 1 514 130 125 LEU N N 129.70 0.15 1 515 131 126 THR H H 8.40 0.02 1 516 131 126 THR CA C 57.53 0.30 1 517 131 126 THR CB C 69.89 0.30 1 518 131 126 THR N N 120.60 0.15 1 519 132 127 ASN C C 176.30 0.30 1 520 133 128 GLY H H 9.50 0.02 1 521 133 128 GLY C C 172.30 0.30 1 522 133 128 GLY CA C 43.20 0.30 1 523 133 128 GLY N N 105.50 0.15 1 524 134 129 ASP H H 7.46 0.02 1 525 134 129 ASP C C 175.90 0.30 1 526 134 129 ASP CA C 54.06 0.30 1 527 134 129 ASP CB C 41.74 0.30 1 528 134 129 ASP N N 116.20 0.15 1 529 135 130 ARG H H 8.84 0.02 1 530 135 130 ARG C C 176.50 0.30 1 531 135 130 ARG CA C 59.19 0.30 1 532 135 130 ARG CB C 29.78 0.30 1 533 135 130 ARG N N 122.40 0.15 1 534 136 131 GLN H H 8.43 0.02 1 535 136 131 GLN C C 178.40 0.30 1 536 136 131 GLN CA C 58.74 0.30 1 537 136 131 GLN CB C 27.14 0.30 1 538 136 131 GLN N N 118.80 0.15 1 539 137 132 THR H H 8.65 0.02 1 540 137 132 THR C C 177.80 0.30 1 541 137 132 THR CA C 65.11 0.30 1 542 137 132 THR CB C 67.33 0.30 1 543 137 132 THR N N 116.80 0.15 1 544 138 133 GLN H H 8.49 0.02 1 545 138 133 GLN C C 179.00 0.30 1 546 138 133 GLN CA C 57.66 0.30 1 547 138 133 GLN CB C 28.30 0.30 1 548 138 133 GLN N N 116.50 0.15 1 549 139 134 ARG C C 179.50 0.30 1 550 139 134 ARG CA C 59.00 0.30 1 551 139 134 ARG CB C 28.56 0.30 1 552 140 135 GLU H H 8.31 0.02 1 553 140 135 GLU C C 180.40 0.30 1 554 140 135 GLU CA C 58.76 0.30 1 555 140 135 GLU CB C 28.56 0.30 1 556 140 135 GLU N N 120.10 0.15 1 557 141 136 LYS H H 7.52 0.02 1 558 141 136 LYS C C 178.50 0.30 1 559 141 136 LYS CA C 59.52 0.30 1 560 141 136 LYS CB C 32.78 0.30 1 561 141 136 LYS N N 119.70 0.15 1 562 142 137 ILE H H 8.18 0.02 1 563 142 137 ILE C C 178.40 0.30 1 564 142 137 ILE CA C 64.90 0.30 1 565 142 137 ILE CB C 37.56 0.30 1 566 142 137 ILE N N 120.40 0.15 1 567 143 138 GLU H H 8.17 0.02 1 568 143 138 GLU C C 179.40 0.30 1 569 143 138 GLU CA C 58.71 0.30 1 570 143 138 GLU CB C 28.41 0.30 1 571 143 138 GLU N N 119.70 0.15 1 572 144 139 ALA H H 8.23 0.02 1 573 144 139 ALA C C 179.10 0.30 1 574 144 139 ALA CA C 54.90 0.30 1 575 144 139 ALA CB C 17.95 0.30 1 576 144 139 ALA N N 123.00 0.15 1 577 145 140 CYS H H 7.97 0.02 1 578 145 140 CYS C C 173.80 0.30 1 579 145 140 CYS CA C 57.02 0.30 1 580 145 140 CYS CB C 27.94 0.30 1 581 145 140 CYS N N 109.90 0.15 1 582 146 141 ALA H H 7.92 0.02 1 583 146 141 ALA C C 178.30 0.30 1 584 146 141 ALA CA C 52.50 0.30 1 585 146 141 ALA CB C 15.53 0.30 1 586 146 141 ALA N N 123.70 0.15 1 587 147 142 CYS H H 7.54 0.02 1 588 147 142 CYS C C 176.80 0.30 1 589 147 142 CYS CA C 58.45 0.30 1 590 147 142 CYS CB C 29.30 0.30 1 591 147 142 CYS N N 110.40 0.15 1 592 148 143 GLN H H 9.39 0.02 1 593 148 143 GLN C C 177.60 0.30 1 594 148 143 GLN CA C 60.28 0.30 1 595 148 143 GLN CB C 26.77 0.30 1 596 148 143 GLN N N 124.70 0.15 1 597 149 144 SER H H 8.14 0.02 1 598 149 144 SER C C 174.40 0.30 1 599 149 144 SER CA C 60.08 0.30 1 600 149 144 SER CB C 61.85 0.30 1 601 149 144 SER N N 110.90 0.15 1 602 150 145 TYR H H 7.59 0.02 1 603 150 145 TYR C C 173.90 0.30 1 604 150 145 TYR CA C 58.80 0.30 1 605 150 145 TYR CB C 37.91 0.30 1 606 150 145 TYR N N 117.10 0.15 1 607 151 146 PHE H H 7.39 0.02 1 608 151 146 PHE C C 174.60 0.30 1 609 151 146 PHE CA C 57.36 0.30 1 610 151 146 PHE CB C 42.09 0.30 1 611 151 146 PHE N N 113.50 0.15 1 612 152 147 ASP H H 9.31 0.02 1 613 152 147 ASP C C 176.20 0.30 1 614 152 147 ASP CA C 57.29 0.30 1 615 152 147 ASP CB C 41.74 0.30 1 616 152 147 ASP N N 120.70 0.15 1 617 153 148 ALA H H 7.72 0.02 1 618 153 148 ALA C C 174.60 0.30 1 619 153 148 ALA CA C 51.43 0.30 1 620 153 148 ALA CB C 21.69 0.30 1 621 153 148 ALA N N 116.20 0.15 1 622 154 149 VAL H H 8.70 0.02 1 623 154 149 VAL C C 173.60 0.30 1 624 154 149 VAL CA C 61.06 0.30 1 625 154 149 VAL CB C 33.59 0.30 1 626 154 149 VAL N N 120.70 0.15 1 627 155 150 VAL H H 9.45 0.02 1 628 155 150 VAL C C 172.90 0.30 1 629 155 150 VAL CA C 61.47 0.30 1 630 155 150 VAL CB C 32.94 0.30 1 631 155 150 VAL N N 128.40 0.15 1 632 156 151 VAL H H 8.83 0.02 1 633 156 151 VAL C C 178.00 0.30 1 634 156 151 VAL CA C 59.22 0.30 1 635 156 151 VAL CB C 33.08 0.30 1 636 156 151 VAL N N 127.40 0.15 1 637 157 152 GLY H H 10.32 0.02 1 638 157 152 GLY C C 177.60 0.30 1 639 157 152 GLY CA C 48.86 0.30 1 640 157 152 GLY N N 115.90 0.15 1 641 158 153 GLY H H 8.35 0.02 1 642 158 153 GLY C C 174.70 0.30 1 643 158 153 GLY CA C 46.64 0.30 1 644 158 153 GLY N N 105.60 0.15 1 645 159 154 GLU H H 8.09 0.02 1 646 159 154 GLU C C 175.90 0.30 1 647 159 154 GLU CA C 55.50 0.30 1 648 159 154 GLU CB C 28.68 0.30 1 649 159 154 GLU N N 117.50 0.15 1 650 160 155 GLN H H 7.91 0.02 1 651 160 155 GLN C C 176.80 0.30 1 652 160 155 GLN CA C 51.87 0.30 1 653 160 155 GLN CB C 29.32 0.30 1 654 160 155 GLN N N 116.90 0.15 1 655 161 156 ARG H H 8.87 0.02 1 656 161 156 ARG C C 175.70 0.30 1 657 161 156 ARG CA C 58.62 0.30 1 658 161 156 ARG CB C 29.27 0.30 1 659 161 156 ARG N N 120.80 0.15 1 660 162 157 GLU H H 7.44 0.02 1 661 162 157 GLU C C 173.70 0.30 1 662 162 157 GLU CA C 53.70 0.30 1 663 162 157 GLU CB C 32.99 0.30 1 664 162 157 GLU N N 112.50 0.15 1 665 163 158 GLU H H 8.54 0.02 1 666 163 158 GLU C C 175.60 0.30 1 667 163 158 GLU CA C 53.11 0.30 1 668 163 158 GLU CB C 29.83 0.30 1 669 163 158 GLU N N 117.70 0.15 1 670 164 159 LYS H H 9.01 0.02 1 671 164 159 LYS C C 176.60 0.30 1 672 164 159 LYS CA C 56.88 0.30 1 673 164 159 LYS N N 116.70 0.15 1 674 165 160 PRO C C 173.20 0.30 1 675 165 160 PRO CA C 63.77 0.30 1 676 165 160 PRO CB C 33.41 0.30 1 677 166 161 ALA H H 9.31 0.02 1 678 166 161 ALA C C 177.20 0.30 1 679 166 161 ALA CA C 51.00 0.30 1 680 166 161 ALA CB C 16.95 0.30 1 681 166 161 ALA N N 132.60 0.15 1 682 167 162 PRO C C 178.10 0.30 1 683 167 162 PRO CA C 64.37 0.30 1 684 167 162 PRO CB C 30.64 0.30 1 685 168 163 SER H H 8.41 0.02 1 686 168 163 SER C C 178.10 0.30 1 687 168 163 SER CA C 60.89 0.30 1 688 168 163 SER N N 111.70 0.15 1 689 169 164 ILE H H 6.93 0.02 1 690 169 164 ILE C C 177.00 0.30 1 691 169 164 ILE CA C 64.04 0.30 1 692 169 164 ILE CB C 36.52 0.30 1 693 169 164 ILE N N 122.40 0.15 1 694 170 165 PHE H H 7.34 0.02 1 695 170 165 PHE C C 178.40 0.30 1 696 170 165 PHE CA C 62.35 0.30 1 697 170 165 PHE CB C 37.96 0.30 1 698 170 165 PHE N N 123.80 0.15 1 699 171 166 TYR H H 8.27 0.02 1 700 171 166 TYR C C 178.50 0.30 1 701 171 166 TYR CA C 58.53 0.30 1 702 171 166 TYR CB C 34.87 0.30 1 703 171 166 TYR N N 120.20 0.15 1 704 172 167 TYR H H 8.28 0.02 1 705 172 167 TYR C C 177.60 0.30 1 706 172 167 TYR CA C 61.26 0.30 1 707 172 167 TYR CB C 37.10 0.30 1 708 172 167 TYR N N 121.40 0.15 1 709 173 168 CYS H H 7.64 0.02 1 710 173 168 CYS C C 176.10 0.30 1 711 173 168 CYS CA C 63.77 0.30 1 712 173 168 CYS CB C 27.09 0.30 1 713 173 168 CYS N N 117.90 0.15 1 714 174 169 CYS H H 8.30 0.02 1 715 174 169 CYS C C 177.00 0.30 1 716 174 169 CYS CA C 63.73 0.30 1 717 174 169 CYS CB C 25.13 0.30 1 718 174 169 CYS N N 116.20 0.15 1 719 175 170 ASN H H 8.30 0.02 1 720 175 170 ASN C C 178.10 0.30 1 721 175 170 ASN CA C 55.64 0.30 1 722 175 170 ASN CB C 37.46 0.30 1 723 175 170 ASN N N 118.90 0.15 1 724 176 171 LEU H H 7.99 0.02 1 725 176 171 LEU C C 179.00 0.30 1 726 176 171 LEU CA C 57.17 0.30 1 727 176 171 LEU CB C 41.05 0.30 1 728 176 171 LEU N N 120.90 0.15 1 729 177 172 LEU H H 7.05 0.02 1 730 177 172 LEU C C 176.80 0.30 1 731 177 172 LEU CA C 53.61 0.30 1 732 177 172 LEU CB C 43.30 0.30 1 733 177 172 LEU N N 113.70 0.15 1 734 178 173 GLY H H 7.99 0.02 1 735 178 173 GLY C C 175.10 0.30 1 736 178 173 GLY CA C 46.14 0.30 1 737 178 173 GLY N N 109.60 0.15 1 738 179 174 VAL H H 7.81 0.02 1 739 179 174 VAL C C 174.30 0.30 1 740 179 174 VAL CA C 58.01 0.30 1 741 179 174 VAL CB C 33.44 0.30 1 742 179 174 VAL N N 111.00 0.15 1 743 180 175 GLN H H 9.11 0.02 1 744 180 175 GLN C C 176.00 0.30 1 745 180 175 GLN CA C 52.37 0.30 1 746 180 175 GLN CB C 27.51 0.30 1 747 180 175 GLN N N 119.00 0.15 1 748 181 176 PRO C C 178.60 0.30 1 749 181 176 PRO CA C 66.77 0.30 1 750 181 176 PRO CB C 30.93 0.30 1 751 182 177 GLY H H 8.64 0.02 1 752 182 177 GLY C C 172.90 0.30 1 753 182 177 GLY CA C 45.62 0.30 1 754 182 177 GLY N N 102.50 0.15 1 755 183 178 ASP H H 8.07 0.02 1 756 183 178 ASP C C 177.10 0.30 1 757 183 178 ASP CA C 53.56 0.30 1 758 183 178 ASP CB C 42.70 0.30 1 759 183 178 ASP N N 117.30 0.15 1 760 184 179 CYS H H 7.79 0.02 1 761 184 179 CYS C C 173.10 0.30 1 762 184 179 CYS CA C 57.89 0.30 1 763 184 179 CYS CB C 29.54 0.30 1 764 184 179 CYS N N 117.50 0.15 1 765 185 180 VAL H H 7.54 0.02 1 766 185 180 VAL C C 173.30 0.30 1 767 185 180 VAL CA C 59.00 0.30 1 768 185 180 VAL CB C 34.69 0.30 1 769 185 180 VAL N N 119.30 0.15 1 770 186 181 MET H H 7.92 0.02 1 771 186 181 MET C C 172.80 0.30 1 772 186 181 MET CA C 52.93 0.30 1 773 186 181 MET CB C 35.03 0.30 1 774 186 181 MET N N 124.30 0.15 1 775 187 182 VAL H H 9.12 0.02 1 776 187 182 VAL C C 174.70 0.30 1 777 187 182 VAL CA C 59.68 0.30 1 778 187 182 VAL CB C 32.43 0.30 1 779 187 182 VAL N N 128.60 0.15 1 780 188 183 GLY H H 8.64 0.02 1 781 188 183 GLY C C 171.90 0.30 1 782 188 183 GLY CA C 46.01 0.30 1 783 188 183 GLY N N 109.80 0.15 1 784 189 184 ASP H H 7.88 0.02 1 785 189 184 ASP C C 178.30 0.30 1 786 189 184 ASP CA C 54.12 0.30 1 787 189 184 ASP CB C 41.54 0.30 1 788 189 184 ASP N N 119.60 0.15 1 789 190 185 THR H H 9.33 0.02 1 790 190 185 THR C C 175.40 0.30 1 791 190 185 THR CA C 62.30 0.30 1 792 190 185 THR CB C 68.91 0.30 1 793 190 185 THR N N 121.30 0.15 1 794 191 186 LEU H H 9.51 0.02 1 795 191 186 LEU C C 179.00 0.30 1 796 191 186 LEU CA C 57.46 0.30 1 797 191 186 LEU CB C 40.71 0.30 1 798 191 186 LEU N N 130.20 0.15 1 799 192 187 GLU H H 9.43 0.02 1 800 192 187 GLU C C 175.80 0.30 1 801 192 187 GLU CA C 59.30 0.30 1 802 192 187 GLU CB C 27.94 0.30 1 803 192 187 GLU N N 114.60 0.15 1 804 193 188 THR H H 6.96 0.02 1 805 193 188 THR C C 175.20 0.30 1 806 193 188 THR CA C 60.26 0.30 1 807 193 188 THR CB C 67.65 0.30 1 808 193 188 THR N N 105.80 0.15 1 809 194 189 ASP H H 8.27 0.02 1 810 194 189 ASP C C 176.40 0.30 1 811 194 189 ASP CA C 58.90 0.30 1 812 194 189 ASP CB C 41.86 0.30 1 813 194 189 ASP N N 124.70 0.15 1 814 195 190 ILE H H 7.20 0.02 1 815 195 190 ILE C C 177.50 0.30 1 816 195 190 ILE CA C 61.37 0.30 1 817 195 190 ILE N N 116.60 0.15 1 818 196 191 GLN H H 8.48 0.02 1 819 196 191 GLN C C 177.50 0.30 1 820 196 191 GLN CA C 57.30 0.30 1 821 196 191 GLN CB C 27.65 0.30 1 822 196 191 GLN N N 117.50 0.15 1 823 197 192 GLY H H 7.38 0.02 1 824 197 192 GLY C C 173.50 0.30 1 825 197 192 GLY CA C 47.33 0.30 1 826 197 192 GLY N N 104.30 0.15 1 827 198 193 GLY H H 7.43 0.02 1 828 198 193 GLY C C 176.00 0.30 1 829 198 193 GLY CA C 45.97 0.30 1 830 198 193 GLY N N 107.00 0.15 1 831 199 194 LEU H H 8.20 0.02 1 832 199 194 LEU C C 180.40 0.30 1 833 199 194 LEU CA C 57.22 0.30 1 834 199 194 LEU CB C 39.60 0.30 1 835 199 194 LEU N N 122.20 0.15 1 836 200 195 ASN H H 8.73 0.02 1 837 200 195 ASN C C 176.90 0.30 1 838 200 195 ASN CA C 54.52 0.30 1 839 200 195 ASN CB C 36.80 0.30 1 840 200 195 ASN N N 120.20 0.15 1 841 201 196 ALA H H 7.59 0.02 1 842 201 196 ALA C C 176.40 0.30 1 843 201 196 ALA CA C 50.68 0.30 1 844 201 196 ALA CB C 18.99 0.30 1 845 201 196 ALA N N 117.70 0.15 1 846 202 197 GLY H H 7.48 0.02 1 847 202 197 GLY C C 175.20 0.30 1 848 202 197 GLY CA C 46.18 0.30 1 849 202 197 GLY N N 105.80 0.15 1 850 203 198 LEU H H 7.36 0.02 1 851 203 198 LEU C C 176.90 0.30 1 852 203 198 LEU CA C 54.14 0.30 1 853 203 198 LEU CB C 38.39 0.30 1 854 203 198 LEU N N 115.60 0.15 1 855 204 199 LYS H H 7.85 0.02 1 856 204 199 LYS C C 176.80 0.30 1 857 204 199 LYS CA C 58.74 0.30 1 858 204 199 LYS CB C 30.70 0.30 1 859 204 199 LYS N N 121.40 0.15 1 860 205 200 ALA H H 7.01 0.02 1 861 205 200 ALA C C 174.50 0.30 1 862 205 200 ALA CA C 50.09 0.30 1 863 205 200 ALA CB C 21.69 0.30 1 864 205 200 ALA N N 108.20 0.15 1 865 206 201 THR H H 8.85 0.02 1 866 206 201 THR C C 172.70 0.30 1 867 206 201 THR CA C 59.09 0.30 1 868 206 201 THR CB C 71.37 0.30 1 869 206 201 THR N N 114.40 0.15 1 870 207 202 VAL H H 9.19 0.02 1 871 207 202 VAL C C 173.10 0.30 1 872 207 202 VAL CA C 60.36 0.30 1 873 207 202 VAL CB C 32.45 0.30 1 874 207 202 VAL N N 123.50 0.15 1 875 208 203 TRP H H 9.14 0.02 1 876 208 203 TRP C C 174.80 0.30 1 877 208 203 TRP CA C 53.36 0.30 1 878 208 203 TRP CB C 30.22 0.30 1 879 208 203 TRP N N 127.10 0.15 1 880 209 204 ILE H H 8.37 0.02 1 881 209 204 ILE C C 173.20 0.30 1 882 209 204 ILE CA C 58.42 0.30 1 883 209 204 ILE CB C 35.28 0.30 1 884 209 204 ILE N N 128.70 0.15 1 885 210 205 ASN H H 8.37 0.02 1 886 210 205 ASN C C 175.60 0.30 1 887 210 205 ASN CA C 48.98 0.30 1 888 210 205 ASN CB C 35.71 0.30 1 889 210 205 ASN N N 126.10 0.15 1 890 211 206 LYS H H 8.55 0.02 1 891 211 206 LYS C C 177.80 0.30 1 892 211 206 LYS CA C 58.59 0.30 1 893 211 206 LYS CB C 31.76 0.30 1 894 211 206 LYS N N 123.20 0.15 1 895 212 207 ASN H H 8.60 0.02 1 896 212 207 ASN C C 175.60 0.30 1 897 212 207 ASN CA C 52.34 0.30 1 898 212 207 ASN CB C 38.11 0.30 1 899 212 207 ASN N N 113.30 0.15 1 900 213 208 GLY H H 7.30 0.02 1 901 213 208 GLY C C 175.00 0.30 1 902 213 208 GLY CA C 46.91 0.30 1 903 213 208 GLY N N 109.20 0.15 1 904 214 209 ILE H H 8.16 0.02 1 905 214 209 ILE C C 176.60 0.30 1 906 214 209 ILE CA C 60.85 0.30 1 907 214 209 ILE CB C 37.64 0.30 1 908 214 209 ILE N N 118.70 0.15 1 909 215 210 VAL H H 8.75 0.02 1 910 215 210 VAL C C 174.60 0.30 1 911 215 210 VAL CA C 59.38 0.30 1 912 215 210 VAL CB C 31.24 0.30 1 913 215 210 VAL N N 127.10 0.15 1 914 221 216 PRO C C 174.40 0.30 1 915 221 216 PRO CA C 62.22 0.30 1 916 221 216 PRO CB C 30.73 0.30 1 917 222 217 VAL H H 7.96 0.02 1 918 222 217 VAL C C 174.20 0.30 1 919 222 217 VAL CA C 58.40 0.30 1 920 222 217 VAL CB C 31.65 0.30 1 921 222 217 VAL N N 122.80 0.15 1 922 224 219 HIS C C 175.60 0.30 1 923 224 219 HIS CA C 61.05 0.30 1 924 224 219 HIS CB C 30.55 0.30 1 925 225 220 TYR H H 8.07 0.02 1 926 225 220 TYR C C 173.40 0.30 1 927 225 220 TYR CA C 56.38 0.30 1 928 225 220 TYR CB C 43.26 0.30 1 929 225 220 TYR N N 111.90 0.15 1 930 226 221 MET H H 8.99 0.02 1 931 226 221 MET C C 174.60 0.30 1 932 226 221 MET CA C 54.11 0.30 1 933 226 221 MET CB C 35.61 0.30 1 934 226 221 MET N N 122.70 0.15 1 935 227 222 VAL H H 8.71 0.02 1 936 227 222 VAL C C 174.70 0.30 1 937 227 222 VAL CA C 58.25 0.30 1 938 227 222 VAL CB C 33.98 0.30 1 939 227 222 VAL N N 117.30 0.15 1 940 228 223 SER H H 9.05 0.02 1 941 228 223 SER C C 173.70 0.30 1 942 228 223 SER CA C 59.07 0.30 1 943 228 223 SER CB C 63.27 0.30 1 944 228 223 SER N N 115.90 0.15 1 945 229 224 SER H H 7.52 0.02 1 946 229 224 SER C C 175.10 0.30 1 947 229 224 SER CA C 55.68 0.30 1 948 229 224 SER CB C 64.70 0.30 1 949 229 224 SER N N 112.20 0.15 1 950 230 225 VAL H H 9.38 0.02 1 951 230 225 VAL C C 175.70 0.30 1 952 230 225 VAL CA C 63.90 0.30 1 953 230 225 VAL CB C 30.79 0.30 1 954 230 225 VAL N N 123.20 0.15 1 955 231 226 LEU H H 8.09 0.02 1 956 231 226 LEU C C 178.40 0.30 1 957 231 226 LEU CA C 55.84 0.30 1 958 231 226 LEU CB C 38.97 0.30 1 959 231 226 LEU N N 118.70 0.15 1 960 232 227 GLU H H 7.50 0.02 1 961 232 227 GLU C C 176.90 0.30 1 962 232 227 GLU CA C 56.60 0.30 1 963 232 227 GLU CB C 29.61 0.30 1 964 232 227 GLU N N 116.60 0.15 1 965 233 228 LEU H H 7.83 0.02 1 966 233 228 LEU C C 174.60 0.30 1 967 233 228 LEU CA C 57.59 0.30 1 968 233 228 LEU CB C 38.88 0.30 1 969 233 228 LEU N N 119.70 0.15 1 970 234 229 PRO C C 178.80 0.30 1 971 234 229 PRO CA C 67.34 0.30 1 972 234 229 PRO CB C 29.28 0.30 1 973 235 230 ALA H H 8.13 0.02 1 974 235 230 ALA C C 180.60 0.30 1 975 235 230 ALA CA C 54.17 0.30 1 976 235 230 ALA CB C 17.03 0.30 1 977 235 230 ALA N N 118.20 0.15 1 978 236 231 LEU H H 7.52 0.02 1 979 236 231 LEU C C 179.80 0.30 1 980 236 231 LEU CA C 56.93 0.30 1 981 236 231 LEU CB C 40.95 0.30 1 982 236 231 LEU N N 120.40 0.15 1 983 237 232 LEU H H 8.63 0.02 1 984 237 232 LEU C C 178.70 0.30 1 985 237 232 LEU CA C 57.36 0.30 1 986 237 232 LEU CB C 39.60 0.30 1 987 237 232 LEU N N 118.50 0.15 1 988 238 233 GLN H H 7.51 0.02 1 989 238 233 GLN C C 178.00 0.30 1 990 238 233 GLN CA C 58.10 0.30 1 991 238 233 GLN CB C 27.06 0.30 1 992 238 233 GLN N N 116.30 0.15 1 993 239 234 SER H H 7.56 0.02 1 994 239 234 SER C C 176.50 0.30 1 995 239 234 SER CA C 60.40 0.30 1 996 239 234 SER CB C 62.48 0.30 1 997 239 234 SER N N 114.50 0.15 1 998 240 235 ILE H H 7.97 0.02 1 999 240 235 ILE C C 177.30 0.30 1 1000 240 235 ILE CA C 64.20 0.30 1 1001 240 235 ILE CB C 37.27 0.30 1 1002 240 235 ILE N N 122.40 0.15 1 1003 241 236 ASP H H 8.03 0.02 1 1004 241 236 ASP C C 176.60 0.30 1 1005 241 236 ASP CA C 55.52 0.30 1 1006 241 236 ASP CB C 41.32 0.30 1 1007 241 236 ASP N N 119.40 0.15 1 1008 242 237 CYS H H 7.76 0.02 1 1009 242 237 CYS C C 174.80 0.30 1 1010 242 237 CYS CA C 59.08 0.30 1 1011 242 237 CYS CB C 26.75 0.30 1 1012 242 237 CYS N N 115.90 0.15 1 stop_ save_