data_6586 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N backbone resonance assignment of the Hsp90 binding domain of human Cdc37 ; _BMRB_accession_number 6586 _BMRB_flat_file_name bmr6586.str _Entry_type original _Submission_date 2005-04-12 _Accession_date 2005-04-12 _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 Sreeramulu Sridhar . . 2 Kumar Jitendra . . 3 Richter Christian . . 4 Saxena Krishna . . 5 Schwalbe Harald . . 6 Langer Thomas . . 7 Martin Vogtherr . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 429 "13C chemical shifts" 386 "15N chemical shifts" 133 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-04-06 original author . stop_ _Original_release_date 2006-04-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C and 15N Backbone Resonance Assignment of the Hsp90 Binding Domain of Human Cdc37 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16132836 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sreeramulu Sridhar . . 2 Kumar Jitendra . . 3 Richter Christian . . 4 Vogtherr Martin . . 5 Saxena Krishna . . 6 Langer Thomas . . 7 Schwalbe Harald . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 32 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 262 _Page_last 262 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_system_cdc37_hsp90_binding_domain _Saveframe_category molecular_system _Mol_system_name cdc37hbd _Abbreviation_common 'cdc37 hsp90 binding domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label cdc37hbd $cdc37hbd stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function co-chaperone stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_cdc37hbd _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'cell cycle division protein 37' _Abbreviation_common cdc37 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 134 _Mol_residue_sequence ; GAMGKHKTFVEKYEKQIKHF GMLRRWDDSQKYLSDNVHLV CEETANYLVIWCIDLEVEEK CALMEQVAHQTIVMQFILEL AKSLKVDPRACFRQFFTKIK TADRQYMEGFNDELEAFKER VRGRAKLRIEKAMK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -4 GLY 2 -3 ALA 3 -2 MET 4 -1 GLY 5 147 LYS 6 148 HIS 7 149 LYS 8 150 THR 9 151 PHE 10 152 VAL 11 153 GLU 12 154 LYS 13 155 TYR 14 156 GLU 15 157 LYS 16 158 GLN 17 159 ILE 18 160 LYS 19 161 HIS 20 162 PHE 21 163 GLY 22 164 MET 23 165 LEU 24 166 ARG 25 167 ARG 26 168 TRP 27 169 ASP 28 170 ASP 29 171 SER 30 172 GLN 31 173 LYS 32 174 TYR 33 175 LEU 34 176 SER 35 177 ASP 36 178 ASN 37 179 VAL 38 180 HIS 39 181 LEU 40 182 VAL 41 183 CYS 42 184 GLU 43 185 GLU 44 186 THR 45 187 ALA 46 188 ASN 47 189 TYR 48 190 LEU 49 191 VAL 50 192 ILE 51 193 TRP 52 194 CYS 53 195 ILE 54 196 ASP 55 197 LEU 56 198 GLU 57 199 VAL 58 200 GLU 59 201 GLU 60 202 LYS 61 203 CYS 62 204 ALA 63 205 LEU 64 206 MET 65 207 GLU 66 208 GLN 67 209 VAL 68 210 ALA 69 211 HIS 70 212 GLN 71 213 THR 72 214 ILE 73 215 VAL 74 216 MET 75 217 GLN 76 218 PHE 77 219 ILE 78 220 LEU 79 221 GLU 80 222 LEU 81 223 ALA 82 224 LYS 83 225 SER 84 226 LEU 85 227 LYS 86 228 VAL 87 229 ASP 88 230 PRO 89 231 ARG 90 232 ALA 91 233 CYS 92 234 PHE 93 235 ARG 94 236 GLN 95 237 PHE 96 238 PHE 97 239 THR 98 240 LYS 99 241 ILE 100 242 LYS 101 243 THR 102 244 ALA 103 245 ASP 104 246 ARG 105 247 GLN 106 248 TYR 107 249 MET 108 250 GLU 109 251 GLY 110 252 PHE 111 253 ASN 112 254 ASP 113 255 GLU 114 256 LEU 115 257 GLU 116 258 ALA 117 259 PHE 118 260 LYS 119 261 GLU 120 262 ARG 121 263 VAL 122 264 ARG 123 265 GLY 124 266 ARG 125 267 ALA 126 268 LYS 127 269 LEU 128 270 ARG 129 271 ILE 130 272 GLU 131 273 LYS 132 274 ALA 133 275 MET 134 276 LYS 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 PDB 1US7 "Complex Of Hsp90 And P50" 97.01 265 100.00 100.00 5.16e-89 PDB 2K5B "Human Cdc37-Hsp90 Docking Model Based On Nmr" 96.27 129 100.00 100.00 4.29e-89 PDB 2W0G "Hsp90 Co-Chaperone Cdc37" 96.27 129 100.00 100.00 4.29e-89 DBJ BAG72991 "cell division cycle 37 homolog [synthetic construct]" 97.01 378 100.00 100.00 1.40e-87 EMBL CAG15149 "CDC37 cell division cycle 37 protein [Sus scrofa]" 97.01 380 99.23 100.00 2.78e-87 EMBL CAG47045 "CDC37 [Homo sapiens]" 97.01 378 100.00 100.00 1.16e-87 EMBL CAL38163 "hypothetical protein [synthetic construct]" 97.01 378 100.00 100.00 1.40e-87 EMBL CAL38227 "hypothetical protein [synthetic construct]" 97.01 378 100.00 100.00 1.02e-87 GB AAB04798 "CDC37 homolog [Homo sapiens]" 97.01 378 100.00 100.00 1.02e-87 GB AAB63979 "CDC37 homolog [Homo sapiens]" 97.01 378 100.00 100.00 1.02e-87 GB AAH00083 "Cell division cycle 37 homolog (S. cerevisiae) [Homo sapiens]" 97.01 378 100.00 100.00 1.02e-87 GB AAH08793 "Cell division cycle 37 homolog (S. cerevisiae) [Homo sapiens]" 97.01 378 100.00 100.00 1.02e-87 GB AAI02044 "Cell division cycle 37 homolog (S. cerevisiae) [Bos taurus]" 97.01 380 99.23 100.00 2.97e-87 REF NP_001030415 "hsp90 co-chaperone Cdc37 [Bos taurus]" 97.01 380 99.23 100.00 2.97e-87 REF NP_001116568 "hsp90 co-chaperone Cdc37 [Sus scrofa]" 97.01 380 99.23 100.00 2.78e-87 REF NP_008996 "hsp90 co-chaperone Cdc37 [Homo sapiens]" 97.01 378 100.00 100.00 1.02e-87 REF XP_001105596 "PREDICTED: hsp90 co-chaperone Cdc37 [Macaca mulatta]" 97.01 378 100.00 100.00 1.02e-87 REF XP_002761777 "PREDICTED: hsp90 co-chaperone Cdc37 [Callithrix jacchus]" 97.01 378 100.00 100.00 1.34e-87 SP Q16543 "RecName: Full=Hsp90 co-chaperone Cdc37; AltName: Full=Hsp90 chaperone protein kinase-targeting subunit; AltName: Full=p50Cdc37;" 97.01 378 100.00 100.00 1.02e-87 SP Q5EAC6 "RecName: Full=Hsp90 co-chaperone Cdc37; AltName: Full=Hsp90 chaperone protein kinase-targeting subunit; AltName: Full=p50Cdc37;" 97.01 380 99.23 100.00 2.97e-87 TPG DAA27935 "TPA: hsp90 co-chaperone Cdc37 [Bos taurus]" 55.97 223 100.00 100.00 4.34e-46 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $cdc37hbd 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 $cdc37hbd 'recombinant technology' 'E. coli' Escherichia 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 $cdc37hbd 0.6 mM [U-15N] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $cdc37hbd 0.7 mM '[U-13C; U-15N; U-2H]' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version 1.2 loop_ _Task assignment stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _Sample_label . save_ save_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _Sample_label . save_ save_CC(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name CC(CO)NH _Sample_label . save_ save_H(CCCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCCO)NH _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name CC(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCCO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Exp01 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.5 0.2 pH 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 TMSP H 1 'methyl protons' ppm 0.0 external direct . . . 1.0 TMSP N 15 'methyl protons' ppm 0.0 . indirect . . . 0.10132914 TMSP C 13 'methyl protons' ppm 0.0 . indirect . . . 0.25145002 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_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Exp01 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name cdc37hbd _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 -4 1 GLY H H 7.408 0.02 1 2 -4 1 GLY N N 109.811 0.1 1 3 -4 1 GLY CA C 35.781 0.5 1 4 -4 1 GLY C C 163.272 0.5 9 5 -3 2 ALA H H 8.573 0.02 1 6 -3 2 ALA N N 119.339 0.1 1 7 -3 2 ALA CA C 45.491 0.5 1 8 -3 2 ALA HA H 4.373 0.02 1 9 -3 2 ALA C C 171.256 0.5 1 10 -3 2 ALA CB C 11.697 0.5 1 11 -2 3 MET H H 8.478 0.02 1 12 -2 3 MET N N 115.275 0.1 1 13 -2 3 MET CA C 48.530 0.5 1 14 -2 3 MET HA H 4.504 0.02 1 15 -2 3 MET C C 170.194 0.5 1 16 -2 3 MET CB C 25.158 0.5 1 17 -2 3 MET HB2 H 2.106 0.02 1 18 -2 3 MET HB3 H 2.046 0.02 1 19 -1 4 GLY H H 8.345 0.02 1 20 -1 4 GLY N N 105.594 0.1 1 21 -1 4 GLY CA C 38.119 0.5 1 22 -1 4 GLY C C 167.360 0.5 1 23 147 5 LYS H H 8.119 0.02 1 24 147 5 LYS N N 116.405 0.1 1 25 147 5 LYS CA C 49.309 0.5 1 26 147 5 LYS HA H 4.261 0.02 1 27 147 5 LYS C C 170.031 0.5 1 28 147 5 LYS CB C 25.158 0.5 1 29 147 5 LYS HB2 H 1.761 0.02 1 30 147 5 LYS HB3 H 1.729 0.02 1 31 147 5 LYS HG2 H 1.337 0.02 1 32 147 5 LYS HG3 H 1.365 0.02 1 33 147 5 LYS HD2 H 1.640 0.02 1 34 147 5 LYS HD3 H 1.682 0.02 1 35 148 6 HIS H H 8.406 0.02 1 36 148 6 HIS N N 115.731 0.1 1 37 148 6 HIS CA C 48.529 0.5 1 38 148 6 HIS HA H 4.663 0.02 1 39 148 6 HIS C C 168.101 0.5 1 40 148 6 HIS CB C 21.971 0.5 1 41 148 6 HIS HB2 H 3.209 0.02 1 42 148 6 HIS HB3 H 3.161 0.02 1 43 149 7 LYS H H 8.287 0.02 1 44 149 7 LYS N N 118.355 0.1 1 45 149 7 LYS CA C 49.521 0.5 1 46 149 7 LYS HA H 4.448 0.02 1 47 149 7 LYS C C 170.709 0.5 1 48 149 7 LYS CB C 26.220 0.5 1 49 149 7 LYS HB2 H 1.648 0.02 1 50 149 7 LYS HB3 H 1.579 0.02 1 51 149 7 LYS HG2 H 1.341 0.02 1 52 149 7 LYS HG3 H 1.361 0.02 1 53 149 7 LYS HD2 H 1.467 0.02 1 54 149 7 LYS HD3 H 1.494 0.02 1 55 149 7 LYS HE2 H 3.021 0.02 1 56 149 7 LYS HE3 H 3.008 0.02 1 57 150 8 THR H H 8.539 0.02 1 58 150 8 THR N N 109.516 0.1 1 59 150 8 THR CA C 54.762 0.5 1 60 150 8 THR HA H 4.684 0.02 1 61 150 8 THR C C 167.956 0.5 1 62 150 8 THR CB C 63.403 0.5 1 63 150 8 THR HB H 4.315 0.02 1 64 150 8 THR HG2 H 1.321 0.02 1 65 151 9 PHE H H 8.615 0.02 1 66 151 9 PHE N N 117.499 0.1 1 67 151 9 PHE CA C 55.554 0.5 1 68 151 9 PHE HA H 4.039 0.02 1 69 151 9 PHE C C 170.515 0.5 1 70 151 9 PHE CB C 32.274 0.5 1 71 151 9 PHE HB2 H 2.794 0.02 1 72 151 9 PHE HB3 H 3.154 0.02 1 73 152 10 VAL H H 8.161 0.02 1 74 152 10 VAL N N 111.226 0.1 1 75 152 10 VAL CA C 59.153 0.5 1 76 152 10 VAL HA H 3.286 0.02 1 77 152 10 VAL C C 170.628 0.5 1 78 152 10 VAL CB C 23.883 0.5 1 79 152 10 VAL HB H 1.999 0.02 1 80 152 10 VAL HG1 H 1.156 0.02 1 81 152 10 VAL HG2 H 0.899 0.02 1 82 153 11 GLU H H 7.516 0.02 1 83 153 11 GLU N N 113.800 0.1 1 84 153 11 GLU CA C 51.788 0.5 1 85 153 11 GLU HA H 3.939 0.02 1 86 153 11 GLU C C 173.204 0.5 1 87 153 11 GLU CB C 22.183 0.5 1 88 153 11 GLU HB2 H 1.557 0.02 1 89 153 11 GLU HB3 H 1.498 0.02 1 90 153 11 GLU HG2 H 2.328 0.02 1 91 153 11 GLU HG3 H 2.249 0.02 1 92 154 12 LYS H H 7.691 0.02 1 93 154 12 LYS N N 112.715 0.1 1 94 154 12 LYS CA C 52.000 0.5 1 95 154 12 LYS HA H 3.705 0.02 1 96 154 12 LYS C C 172.689 0.5 1 97 154 12 LYS CB C 24.379 0.5 1 98 154 12 LYS HB2 H 1.984 0.02 2 99 155 13 TYR H H 7.633 0.02 1 100 155 13 TYR N N 109.102 0.1 1 101 155 13 TYR CA C 50.159 0.5 1 102 155 13 TYR HA H 4.214 0.02 1 103 155 13 TYR C C 169.791 0.5 1 104 155 13 TYR CB C 30.470 0.5 1 105 155 13 TYR HB2 H 3.294 0.02 1 106 155 13 TYR HB3 H 3.226 0.02 1 107 156 14 GLU H H 7.861 0.02 1 108 156 14 GLU N N 119.046 0.1 1 109 156 14 GLU CA C 54.479 0.5 1 110 156 14 GLU HA H 3.322 0.02 1 111 156 14 GLU C C 170.387 0.5 1 112 156 14 GLU CB C 21.404 0.5 1 113 156 14 GLU HB2 H 1.791 0.02 1 114 156 14 GLU HB3 H 1.918 0.02 1 115 156 14 GLU HG2 H 2.419 0.02 1 116 157 15 LYS H H 8.420 0.02 1 117 157 15 LYS N N 109.870 0.1 1 118 157 15 LYS CA C 52.921 0.5 1 119 157 15 LYS HA H 3.849 0.02 1 120 157 15 LYS C C 171.642 0.5 1 121 157 15 LYS CB C 24.166 0.5 1 122 157 15 LYS HB2 H 1.833 0.02 1 123 157 15 LYS HB3 H 1.955 0.02 1 124 157 15 LYS HG2 H 1.521 0.02 1 125 158 16 GLN H H 7.619 0.02 1 126 158 16 GLN N N 114.787 0.1 1 127 158 16 GLN CA C 51.788 0.5 1 128 158 16 GLN HA H 4.513 0.02 1 129 158 16 GLN C C 172.077 0.5 1 130 158 16 GLN CB C 22.113 0.5 1 131 158 16 GLN HB2 H 2.427 0.02 2 132 159 17 ILE H H 8.424 0.02 1 133 159 17 ILE N N 117.057 0.1 1 134 159 17 ILE CA C 59.720 0.5 1 135 159 17 ILE HA H 3.631 0.02 1 136 159 17 ILE C C 172.093 0.5 1 137 159 17 ILE CB C 30.753 0.5 1 138 159 17 ILE HB H 1.662 0.02 1 139 160 18 LYS H H 8.189 0.02 1 140 160 18 LYS N N 112.318 0.1 1 141 160 18 LYS CA C 52.779 0.5 1 142 160 18 LYS HA H 4.207 0.02 1 143 160 18 LYS C C 173.848 0.5 1 144 160 18 LYS CB C 24.662 0.5 1 145 161 19 HIS H H 7.761 0.02 1 146 161 19 HIS N N 112.894 0.1 1 147 161 19 HIS CA C 51.929 0.5 1 148 161 19 HIS HA H 4.025 0.02 1 149 161 19 HIS C C 171.594 0.5 1 150 161 19 HIS CB C 20.767 0.5 1 151 161 19 HIS HB2 H 3.209 0.02 1 152 161 19 HIS HB3 H 2.828 0.02 1 153 162 20 PHE H H 8.555 0.02 1 154 162 20 PHE N N 114.450 0.1 1 155 162 20 PHE CA C 54.691 0.5 1 156 162 20 PHE HA H 3.897 0.02 1 157 162 20 PHE C C 171.175 0.5 1 158 162 20 PHE CB C 31.107 0.5 1 159 162 20 PHE HB2 H 3.541 0.02 1 160 162 20 PHE HB3 H 3.473 0.02 1 161 163 21 GLY H H 8.918 0.02 1 162 163 21 GLY N N 102.263 0.1 1 163 163 21 GLY CA C 39.748 0.5 1 164 163 21 GLY C C 163.513 0.5 9 165 164 22 MET H H 6.960 0.02 1 166 164 22 MET N N 107.844 0.1 1 167 164 22 MET CA C 47.042 0.5 1 168 164 22 MET HA H 4.534 0.02 1 169 164 22 MET C C 171.031 0.5 1 170 164 22 MET CB C 25.370 0.5 1 171 164 22 MET HB2 H 2.233 0.02 2 172 165 23 LEU H H 7.055 0.02 1 173 165 23 LEU N N 116.842 0.1 1 174 165 23 LEU CA C 48.388 0.5 1 175 165 23 LEU C C 168.455 0.5 1 176 165 23 LEU CB C 34.507 0.5 1 177 166 24 ARG H H 8.147 0.02 1 178 166 24 ARG N N 109.991 0.1 1 179 166 24 ARG CA C 49.875 0.5 1 180 166 24 ARG HA H 4.019 0.02 1 181 166 24 ARG C C 170.515 0.5 1 182 166 24 ARG CB C 25.654 0.5 1 183 166 24 ARG HB2 H 1.552 0.02 1 184 166 24 ARG HB3 H 1.455 0.02 1 185 166 24 ARG HG2 H 1.276 0.02 1 186 166 24 ARG HD2 H 2.913 0.02 1 187 166 24 ARG HD3 H 2.927 0.02 1 188 167 25 ARG H H 8.254 0.02 1 189 167 25 ARG N N 116.383 0.1 1 190 167 25 ARG CA C 49.096 0.5 1 191 167 25 ARG HA H 5.033 0.02 1 192 167 25 ARG C C 171.530 0.5 1 193 167 25 ARG CB C 23.742 0.5 1 194 167 25 ARG HB2 H 1.815 0.02 2 195 168 26 TRP H H 7.886 0.02 1 196 168 26 TRP N N 119.132 0.1 1 197 168 26 TRP CA C 52.637 0.5 1 198 168 26 TRP HA H 4.770 0.02 1 199 168 26 TRP C C 172.093 0.5 1 200 168 26 TRP CB C 22.962 0.5 1 201 168 26 TRP HB2 H 3.596 0.02 1 202 168 26 TRP HB3 H 3.354 0.02 1 203 169 27 ASP H H 9.010 0.02 1 204 169 27 ASP N N 110.989 0.1 1 205 169 27 ASP CA C 50.017 0.5 1 206 169 27 ASP HA H 4.347 0.02 1 207 169 27 ASP C C 172.673 0.5 1 208 169 27 ASP CB C 32.240 0.5 1 209 169 27 ASP HB2 H 2.713 0.02 1 210 169 27 ASP HB3 H 2.601 0.02 1 211 170 28 ASP H H 7.136 0.02 1 212 170 28 ASP N N 115.290 0.1 1 213 170 28 ASP CA C 49.946 0.5 1 214 170 28 ASP HA H 4.534 0.02 1 215 170 28 ASP C C 172.415 0.5 1 216 170 28 ASP CB C 33.019 0.5 1 217 170 28 ASP HB2 H 2.829 0.02 2 218 171 29 SER H H 8.187 0.02 1 219 171 29 SER N N 114.573 0.1 1 220 171 29 SER CA C 56.037 0.5 1 221 171 29 SER HA H 4.690 0.02 1 222 171 29 SER C C 167.779 0.5 1 223 171 29 SER CB C 55.037 0.5 1 224 171 29 SER HB2 H 4.303 0.02 1 225 171 29 SER HB3 H 4.278 0.02 1 226 172 30 GLN H H 8.137 0.02 1 227 172 30 GLN N N 116.741 0.1 1 228 172 30 GLN CA C 53.062 0.5 1 229 172 30 GLN HA H 3.220 0.02 1 230 172 30 GLN C C 171.224 0.5 1 231 172 30 GLN CB C 20.271 0.5 1 232 172 30 GLN HB2 H 1.718 0.02 1 233 172 30 GLN HB3 H 1.892 0.02 1 234 173 31 LYS H H 7.938 0.02 1 235 173 31 LYS N N 115.668 0.1 1 236 173 31 LYS CA C 52.000 0.5 1 237 173 31 LYS HA H 4.041 0.02 1 238 173 31 LYS C C 171.063 0.5 1 239 173 31 LYS CB C 24.662 0.5 1 240 173 31 LYS HB2 H 2.002 0.02 2 241 174 32 TYR H H 8.316 0.02 1 242 174 32 TYR N N 114.505 0.1 1 243 174 32 TYR CA C 55.966 0.5 1 244 174 32 TYR HA H 4.272 0.02 1 245 174 32 TYR C C 172.463 0.5 1 246 174 32 TYR CB C 32.028 0.5 1 247 174 32 TYR HB2 H 2.795 0.02 1 248 174 32 TYR HB3 H 3.402 0.02 1 249 175 33 LEU H H 7.874 0.02 1 250 175 33 LEU N N 110.688 0.1 1 251 175 33 LEU CA C 49.805 0.5 1 252 175 33 LEU HA H 4.699 0.02 1 253 175 33 LEU C C 170.934 0.5 1 254 175 33 LEU CB C 32.878 0.5 1 255 176 34 SER H H 8.007 0.02 1 256 176 34 SER N N 107.753 0.1 1 257 176 34 SER CA C 54.904 0.5 1 258 176 34 SER HA H 4.234 0.02 1 259 176 34 SER C C 169.888 0.5 1 260 176 34 SER CB C 55.683 0.5 1 261 176 34 SER HB2 H 4.094 0.02 1 262 176 34 SER HB3 H 4.175 0.02 1 263 177 35 ASP H H 7.700 0.02 1 264 177 35 ASP N N 113.968 0.1 1 265 177 35 ASP CA C 48.246 0.5 1 266 177 35 ASP HA H 4.534 0.02 1 267 177 35 ASP C C 169.244 0.5 1 268 177 35 ASP CB C 34.011 0.5 1 269 177 35 ASP HB2 H 2.593 0.02 1 270 177 35 ASP HB3 H 2.480 0.02 1 271 178 36 ASN H H 7.229 0.02 1 272 178 36 ASN N N 116.601 0.1 1 273 178 36 ASN CA C 44.776 0.5 1 274 178 36 ASN HA H 4.824 0.02 1 275 178 36 ASN C C 169.855 0.5 1 276 178 36 ASN CB C 31.886 0.5 1 277 178 36 ASN HB2 H 1.976 0.02 1 278 178 36 ASN HB3 H 1.638 0.02 1 279 179 37 VAL H H 7.698 0.02 1 280 179 37 VAL N N 115.681 0.1 1 281 179 37 VAL CA C 58.516 0.5 1 282 179 37 VAL HA H 3.777 0.02 1 283 179 37 VAL C C 170.660 0.5 1 284 179 37 VAL CB C 24.591 0.5 1 285 179 37 VAL HB H 2.107 0.02 1 286 179 37 VAL HG1 H 1.084 0.02 1 287 179 37 VAL HG2 H 1.063 0.02 1 288 180 38 HIS H H 7.950 0.02 1 289 180 38 HIS N N 112.879 0.1 1 290 180 38 HIS CA C 50.300 0.5 1 291 180 38 HIS HA H 4.249 0.02 1 292 180 38 HIS C C 169.791 0.5 1 293 180 38 HIS CB C 21.900 0.5 1 294 180 38 HIS HB2 H 2.967 0.02 1 295 180 38 HIS HB3 H 2.795 0.02 1 296 181 39 LEU H H 7.310 0.02 1 297 181 39 LEU N N 111.466 0.1 1 298 181 39 LEU CA C 48.459 0.5 1 299 181 39 LEU HA H 3.878 0.02 1 300 181 39 LEU C C 171.642 0.5 1 301 181 39 LEU CB C 34.719 0.5 1 302 181 39 LEU HB2 H 1.857 0.02 2 303 182 40 VAL H H 7.621 0.02 1 304 182 40 VAL N N 115.009 0.1 1 305 182 40 VAL CA C 54.904 0.5 1 306 182 40 VAL HA H 3.712 0.02 1 307 182 40 VAL C C 165.654 0.5 1 308 182 40 VAL CB C 20.554 0.5 1 309 182 40 VAL HB H 2.227 0.02 1 310 182 40 VAL HG1 H 0.736 0.02 1 311 182 40 VAL HG2 H 0.369 0.02 1 312 183 41 CYS H H 7.704 0.02 1 313 183 41 CYS N N 113.763 0.1 1 314 183 41 CYS CA C 49.167 0.5 1 315 183 41 CYS HA H 4.717 0.02 1 316 183 41 CYS C C 166.733 0.5 1 317 183 41 CYS CB C 22.750 0.5 1 318 183 41 CYS HB2 H 2.936 0.02 1 319 183 41 CYS HB3 H 2.898 0.02 1 320 184 42 GLU H H 8.863 0.02 1 321 184 42 GLU N N 116.482 0.1 1 322 184 42 GLU CA C 52.070 0.5 1 323 184 42 GLU HA H 3.891 0.02 1 324 184 42 GLU C C 171.127 0.5 1 325 184 42 GLU CB C 21.758 0.5 1 326 184 42 GLU HB2 H 1.970 0.02 2 327 185 43 GLU H H 9.000 0.02 1 328 185 43 GLU N N 114.757 0.1 1 329 185 43 GLU CA C 53.977 0.5 1 330 185 43 GLU HA H 4.002 0.02 1 331 185 43 GLU C C 172.978 0.5 1 332 185 43 GLU CB C 21.310 0.5 1 333 185 43 GLU HB2 H 1.618 0.02 1 334 185 43 GLU HB3 H 1.581 0.02 1 335 185 43 GLU HG2 H 2.258 0.02 1 336 185 43 GLU HG3 H 2.334 0.02 1 337 186 44 THR H H 7.383 0.02 1 338 186 44 THR N N 113.941 0.1 1 339 186 44 THR CA C 59.436 0.5 1 340 186 44 THR HA H 4.511 0.02 1 341 186 44 THR C C 169.115 0.5 1 342 186 44 THR CB C 60.924 0.5 1 343 186 44 THR HB H 3.964 0.02 1 344 186 44 THR HG2 H 1.285 0.02 1 345 187 45 ALA H H 6.912 0.02 1 346 187 45 ALA N N 117.451 0.1 1 347 187 45 ALA CA C 48.955 0.5 1 348 187 45 ALA HA H 4.041 0.02 1 349 187 45 ALA C C 171.530 0.5 1 350 187 45 ALA CB C 10.143 0.5 1 351 188 46 ASN H H 8.676 0.02 1 352 188 46 ASN N N 109.988 0.1 1 353 188 46 ASN CA C 48.884 0.5 1 354 188 46 ASN HA H 4.459 0.02 1 355 188 46 ASN C C 171.272 0.5 1 356 188 46 ASN CB C 30.611 0.5 1 357 188 46 ASN HB2 H 2.920 0.02 2 358 189 47 TYR H H 8.066 0.02 1 359 189 47 TYR N N 115.765 0.1 1 360 189 47 TYR CA C 54.691 0.5 1 361 189 47 TYR HA H 4.189 0.02 1 362 189 47 TYR C C 171.369 0.5 1 363 189 47 TYR CB C 30.824 0.5 1 364 189 47 TYR HB2 H 3.395 0.02 1 365 189 47 TYR HB3 H 3.267 0.02 1 366 190 48 LEU H H 8.344 0.02 1 367 190 48 LEU N N 115.334 0.1 1 368 190 48 LEU CA C 51.858 0.5 1 369 190 48 LEU HA H 3.140 0.02 1 370 190 48 LEU C C 171.256 0.5 1 371 190 48 LEU CB C 33.657 0.5 1 372 191 49 VAL H H 8.069 0.02 1 373 191 49 VAL N N 113.986 0.1 1 374 191 49 VAL CA C 53.702 0.5 1 375 191 49 VAL HA H 3.804 0.02 1 376 191 49 VAL C C 170.596 0.5 1 377 191 49 VAL CB C 22.084 0.5 9 378 191 49 VAL HB H 2.366 0.02 1 379 192 50 ILE H H 7.091 0.02 1 380 192 50 ILE N N 112.741 0.1 1 381 192 50 ILE CA C 57.170 0.5 1 382 192 50 ILE HA H 3.629 0.02 1 383 192 50 ILE C C 171.787 0.5 1 384 192 50 ILE CB C 29.620 0.5 1 385 192 50 ILE HB H 1.978 0.02 1 386 192 50 ILE HG12 H 0.892 0.02 1 387 192 50 ILE HD1 H 0.851 0.02 4 388 193 51 TRP H H 8.524 0.02 1 389 193 51 TRP N N 117.372 0.1 1 390 193 51 TRP CA C 50.725 0.5 1 391 193 51 TRP HA H 4.792 0.02 1 392 193 51 TRP C C 171.272 0.5 1 393 193 51 TRP CB C 21.334 0.5 1 394 193 51 TRP HB2 H 3.585 0.02 1 395 193 51 TRP HB3 H 2.914 0.02 1 396 194 52 CYS H H 8.520 0.02 1 397 194 52 CYS N N 110.650 0.1 1 398 194 52 CYS CA C 59.224 0.5 1 399 194 52 CYS HA H 3.705 0.02 1 400 194 52 CYS C C 169.614 0.5 1 401 194 52 CYS CB C 19.775 0.5 1 402 194 52 CYS HB2 H 2.586 0.02 2 403 195 53 ILE H H 7.595 0.02 1 404 195 53 ILE N N 113.348 0.1 1 405 195 53 ILE CA C 58.870 0.5 1 406 195 53 ILE HA H 3.476 0.02 1 407 195 53 ILE C C 170.773 0.5 1 408 195 53 ILE CB C 30.470 0.5 1 409 195 53 ILE HB H 2.008 0.02 1 410 195 53 ILE HG12 H 1.123 0.02 1 411 195 53 ILE HD1 H 0.829 0.02 4 412 196 54 ASP H H 8.361 0.02 1 413 196 54 ASP N N 116.247 0.1 1 414 196 54 ASP CA C 50.938 0.5 1 415 196 54 ASP HA H 4.287 0.02 1 416 196 54 ASP C C 172.560 0.5 1 417 196 54 ASP CB C 32.736 0.5 1 418 196 54 ASP HB2 H 3.183 0.02 1 419 196 54 ASP HB3 H 2.823 0.02 1 420 197 55 LEU H H 8.694 0.02 1 421 197 55 LEU N N 115.761 0.1 1 422 197 55 LEU CA C 50.867 0.5 1 423 197 55 LEU C C 171.980 0.5 1 424 197 55 LEU CB C 34.294 0.5 1 425 198 56 GLU H H 7.850 0.02 1 426 198 56 GLU N N 116.141 0.1 1 427 198 56 GLU CA C 51.433 0.5 1 428 198 56 GLU HA H 3.998 0.02 1 429 198 56 GLU C C 174.379 0.5 1 430 198 56 GLU CB C 20.767 0.5 1 431 198 56 GLU HB2 H 1.954 0.02 1 432 198 56 GLU HB3 H 1.894 0.02 1 433 199 57 VAL H H 8.702 0.02 1 434 199 57 VAL N N 118.898 0.1 1 435 199 57 VAL CA C 59.685 0.5 1 436 199 57 VAL HA H 3.606 0.02 1 437 199 57 VAL C C 170.966 0.5 1 438 199 57 VAL CB C 23.713 0.5 1 439 199 57 VAL HB H 2.383 0.02 1 440 199 57 VAL HG1 H 0.962 0.02 1 441 199 57 VAL HG2 H 1.160 0.02 1 442 200 58 GLU H H 7.614 0.02 1 443 200 58 GLU N N 112.153 0.1 1 444 200 58 GLU CA C 49.309 0.5 1 445 200 58 GLU HA H 4.230 0.02 1 446 200 58 GLU C C 168.181 0.5 1 447 200 58 GLU CB C 21.971 0.5 1 448 200 58 GLU HB2 H 2.252 0.02 1 449 201 59 GLU H H 7.934 0.02 1 450 201 59 GLU N N 109.942 0.1 1 451 201 59 GLU CA C 50.654 0.5 1 452 201 59 GLU HA H 3.858 0.02 1 453 201 59 GLU C C 170.210 0.5 1 454 201 59 GLU CB C 18.713 0.5 1 455 201 59 GLU HB3 H 2.207 0.02 2 456 201 59 GLU HG2 H 2.356 0.02 1 457 202 60 LYS H H 8.494 0.02 1 458 202 60 LYS N N 119.325 0.1 1 459 202 60 LYS CA C 47.143 0.5 1 460 202 60 LYS HA H 4.724 0.02 1 461 202 60 LYS C C 170.773 0.5 1 462 202 60 LYS CB C 22.436 0.5 1 463 202 60 LYS HB2 H 1.848 0.02 1 464 202 60 LYS HB3 H 1.787 0.02 1 465 203 61 CYS H H 7.247 0.02 1 466 203 61 CYS N N 113.762 0.1 1 467 203 61 CYS CA C 55.683 0.5 1 468 203 61 CYS HA H 3.746 0.02 1 469 203 61 CYS C C 170.065 0.5 1 470 203 61 CYS CB C 20.271 0.5 1 471 203 61 CYS HB2 H 3.317 0.02 1 472 203 61 CYS HB3 H 2.583 0.02 1 473 204 62 ALA H H 8.331 0.02 1 474 204 62 ALA N N 117.337 0.1 1 475 204 62 ALA CA C 47.892 0.5 1 476 204 62 ALA HA H 4.212 0.02 1 477 204 62 ALA C C 169.485 0.5 1 478 204 62 ALA CB C 9.789 0.5 1 479 205 63 LEU H H 7.696 0.02 1 480 205 63 LEU N N 116.090 0.1 1 481 205 63 LEU CA C 50.088 0.5 1 482 205 63 LEU C C 171.626 0.5 1 483 205 63 LEU CB C 33.444 0.5 1 484 206 64 MET H H 8.297 0.02 1 485 206 64 MET N N 114.766 0.1 1 486 206 64 MET CA C 53.983 0.5 1 487 206 64 MET HA H 3.537 0.02 1 488 206 64 MET C C 171.175 0.5 1 489 206 64 MET CB C 23.387 0.5 1 490 206 64 MET HB2 H 2.403 0.02 2 491 207 65 GLU H H 7.793 0.02 1 492 207 65 GLU N N 111.910 0.1 1 493 207 65 GLU CA C 53.629 0.5 1 494 207 65 GLU HA H 3.750 0.02 1 495 207 65 GLU C C 172.544 0.5 1 496 207 65 GLU CB C 21.475 0.5 1 497 207 65 GLU HB2 H 2.175 0.02 2 498 208 66 GLN H H 7.416 0.02 1 499 208 66 GLN N N 117.784 0.1 1 500 208 66 GLN CA C 51.575 0.5 1 501 208 66 GLN HA H 4.003 0.02 1 502 208 66 GLN C C 171.240 0.5 1 503 208 66 GLN CB C 20.625 0.5 1 504 208 66 GLN HB2 H 2.212 0.02 2 505 209 67 VAL H H 8.276 0.02 1 506 209 67 VAL N N 117.814 0.1 1 507 209 67 VAL CA C 57.949 0.5 1 508 209 67 VAL HA H 4.228 0.02 1 509 209 67 VAL C C 174.830 0.5 1 510 209 67 VAL CB C 23.387 0.5 1 511 209 67 VAL HG1 H 0.834 0.02 1 512 209 67 VAL HG2 H 0.692 0.02 1 513 210 68 ALA H H 9.746 0.02 1 514 210 68 ALA N N 122.581 0.1 1 515 210 68 ALA CA C 48.671 0.5 1 516 210 68 ALA HA H 4.154 0.02 1 517 210 68 ALA C C 172.238 0.5 1 518 210 68 ALA CB C 10.852 0.5 1 519 211 69 HIS H H 7.504 0.02 1 520 211 69 HIS N N 110.894 0.1 1 521 211 69 HIS CA C 53.912 0.5 1 522 211 69 HIS HA H 4.047 0.02 1 523 211 69 HIS C C 169.646 0.5 1 524 211 69 HIS CB C 20.838 0.5 1 525 211 69 HIS HB2 H 3.765 0.02 1 526 211 69 HIS HB3 H 3.514 0.02 1 527 212 70 GLN H H 7.199 0.02 1 528 212 70 GLN N N 111.928 0.1 1 529 212 70 GLN CA C 50.088 0.5 1 530 212 70 GLN HA H 4.122 0.02 1 531 212 70 GLN C C 170.822 0.5 1 532 212 70 GLN CB C 22.892 0.5 1 533 212 70 GLN HB2 H 1.735 0.02 2 534 213 71 THR H H 8.573 0.02 1 535 213 71 THR N N 115.231 0.1 1 536 213 71 THR CA C 60.853 0.5 1 537 213 71 THR HA H 4.140 0.02 1 538 213 71 THR C C 171.038 0.5 1 539 213 71 THR HB H 3.786 0.02 1 540 214 72 ILE H H 7.693 0.02 1 541 214 72 ILE N N 116.652 0.1 1 542 214 72 ILE CA C 53.841 0.5 1 543 214 72 ILE HA H 3.705 0.02 1 544 214 72 ILE C C 174.570 0.5 1 545 214 72 ILE CB C 26.362 0.5 9 546 215 73 VAL H H 7.803 0.02 1 547 215 73 VAL N N 117.218 0.1 1 548 215 73 VAL CA C 54.077 0.5 1 549 215 73 VAL HA H 3.408 0.02 1 550 215 73 VAL C C 169.985 0.5 1 551 216 74 MET H H 7.662 0.02 1 552 216 74 MET N N 110.944 0.1 1 553 216 74 MET CA C 48.884 0.5 1 554 216 74 MET HA H 4.604 0.02 1 555 216 74 MET C C 171.256 0.5 1 556 216 74 MET CB C 21.617 0.5 1 557 216 74 MET HB2 H 2.153 0.02 2 558 217 75 GLN H H 8.678 0.02 1 559 217 75 GLN N N 113.949 0.1 1 560 217 75 GLN CA C 52.567 0.5 1 561 217 75 GLN HA H 3.979 0.02 1 562 217 75 GLN C C 172.222 0.5 1 563 217 75 GLN CB C 20.767 0.5 1 564 217 75 GLN HB2 H 2.152 0.02 1 565 217 75 GLN HB3 H 2.099 0.02 1 566 218 76 PHE H H 9.091 0.02 1 567 218 76 PHE N N 116.201 0.1 1 568 218 76 PHE CA C 54.762 0.5 1 569 218 76 PHE HA H 4.069 0.02 1 570 218 76 PHE C C 172.955 0.5 1 571 218 76 PHE CB C 31.532 0.5 1 572 218 76 PHE HB2 H 2.180 0.02 2 573 219 77 ILE H H 7.872 0.02 1 574 219 77 ILE N N 117.561 0.1 1 575 219 77 ILE CA C 52.637 0.5 1 576 219 77 ILE HA H 3.410 0.02 1 577 219 77 ILE C C 172.415 0.5 1 578 219 77 ILE CB C 22.113 0.5 1 579 220 78 LEU H H 8.150 0.02 1 580 220 78 LEU N N 114.443 0.1 1 581 220 78 LEU C C 170.049 0.5 1 582 221 79 GLU H H 8.449 0.02 1 583 221 79 GLU N N 115.462 0.1 1 584 221 79 GLU CA C 51.775 0.5 1 585 221 79 GLU HA H 4.186 0.02 1 586 221 79 GLU C C 172.608 0.5 1 587 221 79 GLU CB C 21.758 0.5 1 588 221 79 GLU HB2 H 1.927 0.02 2 589 222 80 LEU H H 8.136 0.02 1 590 222 80 LEU N N 119.771 0.1 1 591 222 80 LEU CA C 50.725 0.5 1 592 222 80 LEU HA H 4.481 0.02 1 593 222 80 LEU C C 172.367 0.5 1 594 222 80 LEU CB C 33.657 0.5 1 595 222 80 LEU HB2 H 2.957 0.02 1 596 222 80 LEU HB3 H 2.732 0.02 1 597 223 81 ALA H H 8.056 0.02 1 598 223 81 ALA N N 117.293 0.1 1 599 223 81 ALA CA C 48.388 0.5 1 600 223 81 ALA HA H 3.619 0.02 1 601 223 81 ALA C C 173.204 0.5 1 602 223 81 ALA CB C 10.852 0.5 1 603 224 82 LYS H H 7.665 0.02 1 604 224 82 LYS N N 112.382 0.1 1 605 224 82 LYS CA C 52.283 0.5 1 606 224 82 LYS HA H 4.114 0.02 1 607 224 82 LYS C C 173.493 0.5 1 608 224 82 LYS CB C 24.521 0.5 1 609 224 82 LYS HB2 H 1.933 0.02 2 610 225 83 SER H H 8.069 0.02 1 611 225 83 SER N N 111.715 0.1 1 612 225 83 SER CA C 54.266 0.5 1 613 225 83 SER HA H 4.245 0.02 1 614 225 83 SER C C 169.517 0.5 1 615 225 83 SER CB C 55.754 0.5 1 616 225 83 SER HB2 H 4.062 0.02 2 617 226 84 LEU H H 7.969 0.02 1 618 226 84 LEU N N 116.015 0.1 1 619 226 84 LEU CA C 48.317 0.5 1 620 226 84 LEU C C 169.727 0.5 1 621 226 84 LEU CB C 35.640 0.5 1 622 227 85 LYS H H 7.945 0.02 1 623 227 85 LYS N N 112.294 0.1 1 624 227 85 LYS CA C 50.017 0.5 1 625 227 85 LYS HA H 3.934 0.02 1 626 227 85 LYS C C 169.212 0.5 1 627 227 85 LYS CB C 21.192 0.5 1 628 227 85 LYS HB2 H 2.173 0.02 1 629 227 85 LYS HB3 H 1.896 0.02 1 630 228 86 VAL H H 7.755 0.02 1 631 228 86 VAL N N 107.968 0.1 1 632 228 86 VAL CA C 51.858 0.5 1 633 228 86 VAL HA H 4.620 0.02 1 634 228 86 VAL C C 167.779 0.5 1 635 228 86 VAL CB C 28.345 0.5 1 636 228 86 VAL HB H 2.088 0.02 1 637 228 86 VAL HG1 H 0.909 0.02 1 638 228 86 VAL HG2 H 1.087 0.02 1 639 229 87 ASP H H 8.216 0.02 1 640 229 87 ASP N N 118.388 0.1 1 641 229 87 ASP CA C 45.343 0.5 1 642 229 87 ASP CB C 35.073 0.5 1 643 231 89 ARG H H 8.982 0.02 1 644 231 89 ARG N N 111.681 0.1 1 645 231 89 ARG CA C 52.425 0.5 1 646 231 89 ARG HA H 4.073 0.02 1 647 231 89 ARG C C 170.322 0.5 1 648 231 89 ARG CB C 21.971 0.5 1 649 231 89 ARG HB2 H 1.911 0.02 2 650 231 89 ARG HG2 H 1.674 0.02 1 651 231 89 ARG HD2 H 3.192 0.02 4 652 232 90 ALA H H 8.246 0.02 1 653 232 90 ALA N N 114.010 0.1 1 654 232 90 ALA CA C 45.555 0.5 1 655 232 90 ALA HA H 4.556 0.02 1 656 232 90 ALA C C 172.431 0.5 1 657 232 90 ALA CB C 11.843 0.5 1 658 233 91 CYS H H 7.550 0.02 1 659 233 91 CYS N N 105.564 0.1 1 660 233 91 CYS CA C 50.725 0.5 1 661 233 91 CYS HA H 5.258 0.02 1 662 233 91 CYS C C 169.920 0.5 1 663 233 91 CYS CB C 23.104 0.5 1 664 233 91 CYS HB2 H 3.065 0.02 1 665 233 91 CYS HB3 H 2.566 0.02 1 666 234 92 PHE H H 7.763 0.02 1 667 234 92 PHE N N 117.178 0.1 1 668 234 92 PHE CA C 54.054 0.5 1 669 234 92 PHE HA H 4.474 0.02 1 670 234 92 PHE C C 169.855 0.5 1 671 234 92 PHE CB C 31.320 0.5 1 672 234 92 PHE HB2 H 3.215 0.02 2 673 235 93 ARG H H 7.664 0.02 1 674 235 93 ARG N N 115.759 0.1 1 675 235 93 ARG CA C 52.708 0.5 1 676 235 93 ARG HA H 3.988 0.02 1 677 235 93 ARG C C 172.109 0.5 1 678 235 93 ARG CB C 21.334 0.5 1 679 235 93 ARG HB2 H 1.874 0.02 2 680 235 93 ARG HD2 H 3.203 0.02 4 681 236 94 GLN H H 7.951 0.02 1 682 236 94 GLN N N 113.009 0.1 1 683 236 94 GLN CA C 51.504 0.5 1 684 236 94 GLN HA H 4.032 0.02 1 685 236 94 GLN C C 172.334 0.5 1 686 236 94 GLN CB C 20.484 0.5 1 687 236 94 GLN HB2 H 2.180 0.02 1 688 236 94 GLN HB3 H 2.106 0.02 1 689 237 95 PHE H H 7.353 0.02 1 690 237 95 PHE N N 114.108 0.1 1 691 237 95 PHE CA C 54.196 0.5 1 692 237 95 PHE HA H 4.017 0.02 1 693 237 95 PHE C C 168.439 0.5 1 694 237 95 PHE CB C 31.674 0.5 1 695 237 95 PHE HB2 H 2.945 0.02 2 696 238 96 PHE H H 6.899 0.02 1 697 238 96 PHE N N 111.272 0.1 1 698 238 96 PHE CA C 54.620 0.5 1 699 238 96 PHE HA H 3.582 0.02 1 700 238 96 PHE C C 171.256 0.5 1 701 238 96 PHE CB C 30.753 0.5 1 702 238 96 PHE HB2 H 3.170 0.02 2 703 239 97 THR H H 8.069 0.02 1 704 239 97 THR N N 111.336 0.1 1 705 239 97 THR CA C 59.224 0.5 1 706 239 97 THR HA H 4.062 0.02 1 707 239 97 THR C C 169.582 0.5 1 708 239 97 THR CB C 61.349 0.5 1 709 239 97 THR HB H 3.814 0.02 1 710 240 98 LYS H H 7.468 0.02 1 711 240 98 LYS N N 117.711 0.1 1 712 240 98 LYS CA C 52.142 0.5 1 713 240 98 LYS HA H 3.732 0.02 1 714 240 98 LYS C C 172.479 0.5 1 715 240 98 LYS CB C 24.096 0.5 1 716 240 98 LYS HB2 H 1.521 0.02 2 717 240 98 LYS HG2 H 1.087 0.02 1 718 240 98 LYS HD2 H 1.215 0.02 4 719 241 99 ILE H H 7.510 0.02 1 720 241 99 ILE N N 114.326 0.1 1 721 241 99 ILE CA C 54.550 0.5 1 722 241 99 ILE C C 170.805 0.5 1 723 241 99 ILE CB C 28.557 0.5 1 724 242 100 LYS H H 7.182 0.02 1 725 242 100 LYS N N 114.673 0.1 1 726 242 100 LYS CA C 51.150 0.5 1 727 242 100 LYS HA H 3.942 0.02 1 728 242 100 LYS C C 171.224 0.5 1 729 242 100 LYS CB C 24.804 0.5 1 730 242 100 LYS HB2 H 1.888 0.02 1 731 242 100 LYS HB3 H 1.776 0.02 1 732 243 101 THR H H 7.239 0.02 1 733 243 101 THR N N 104.792 0.1 1 734 243 101 THR CA C 55.258 0.5 1 735 243 101 THR HA H 4.395 0.02 1 736 243 101 THR C C 167.924 0.5 1 737 243 101 THR CB C 62.694 0.5 1 738 243 101 THR HB H 4.277 0.02 1 739 244 102 ALA H H 7.657 0.02 1 740 244 102 ALA N N 119.081 0.1 1 741 244 102 ALA CA C 45.980 0.5 1 742 244 102 ALA HA H 4.041 0.02 1 743 244 102 ALA C C 170.499 0.5 1 744 244 102 ALA CB C 10.781 0.5 1 745 245 103 ASP H H 7.876 0.02 1 746 245 103 ASP N N 114.351 0.1 1 747 245 103 ASP CA C 46.901 0.5 1 748 245 103 ASP HA H 4.523 0.02 1 749 245 103 ASP C C 170.065 0.5 1 750 245 103 ASP CB C 34.223 0.5 1 751 245 103 ASP HB2 H 2.727 0.02 1 752 245 103 ASP HB3 H 2.786 0.02 1 753 246 104 ARG H H 8.470 0.02 1 754 246 104 ARG N N 118.574 0.1 1 755 246 104 ARG CA C 52.070 0.5 1 756 246 104 ARG HA H 4.073 0.02 1 757 246 104 ARG C C 171.465 0.5 1 758 246 104 ARG CB C 22.113 0.5 1 759 246 104 ARG HB2 H 1.954 0.02 2 760 246 104 ARG HD2 H 3.254 0.02 4 761 247 105 GLN H H 8.325 0.02 1 762 247 105 GLN N N 113.851 0.1 1 763 247 105 GLN CA C 52.212 0.5 1 764 247 105 GLN HA H 4.148 0.02 1 765 247 105 GLN C C 168.085 0.5 1 766 247 105 GLN CB C 20.625 0.5 1 767 247 105 GLN HB2 H 2.158 0.02 1 768 247 105 GLN HB3 H 2.222 0.02 1 769 248 106 TYR H H 8.353 0.02 1 770 248 106 TYR N N 118.515 0.1 1 771 248 106 TYR CA C 54.479 0.5 1 772 248 106 TYR HA H 4.325 0.02 1 773 248 106 TYR C C 172.173 0.5 1 774 248 106 TYR CB C 30.965 0.5 1 775 248 106 TYR HB2 H 3.166 0.02 1 776 248 106 TYR HB3 H 2.920 0.02 1 777 249 107 MET H H 8.150 0.02 1 778 249 107 MET N N 112.922 0.1 1 779 249 107 MET CA C 49.946 0.5 1 780 249 107 MET HA H 4.352 0.02 1 781 249 107 MET C C 172.061 0.5 1 782 249 107 MET CB C 23.387 0.5 1 783 249 107 MET HB2 H 2.163 0.02 1 784 249 107 MET HB3 H 1.729 0.02 1 785 250 108 GLU H H 8.547 0.02 1 786 250 108 GLU N N 115.879 0.1 1 787 250 108 GLU CA C 52.496 0.5 1 788 250 108 GLU HA H 4.174 0.02 1 789 250 108 GLU C C 172.447 0.5 1 790 250 108 GLU CB C 21.263 0.5 1 791 250 108 GLU HB2 H 2.195 0.02 1 792 250 108 GLU HB3 H 2.136 0.02 1 793 251 109 GLY H H 7.880 0.02 1 794 251 109 GLY N N 102.209 0.1 1 795 251 109 GLY CA C 40.173 0.5 1 796 251 109 GLY C C 169.952 0.5 1 797 252 110 PHE H H 7.867 0.02 1 798 252 110 PHE N N 119.464 0.1 1 799 252 110 PHE CA C 54.762 0.5 1 800 252 110 PHE HA H 3.810 0.02 1 801 252 110 PHE C C 169.662 0.5 1 802 252 110 PHE CB C 30.965 0.5 1 803 252 110 PHE HB2 H 3.334 0.02 2 804 253 111 ASN H H 8.571 0.02 1 805 253 111 ASN N N 113.787 0.1 1 806 253 111 ASN CA C 49.380 0.5 1 807 253 111 ASN HA H 4.481 0.02 1 808 253 111 ASN C C 171.707 0.5 1 809 253 111 ASN CB C 30.753 0.5 1 810 253 111 ASN HB2 H 3.022 0.02 1 811 253 111 ASN HB3 H 2.984 0.02 1 812 254 112 ASP H H 8.845 0.02 1 813 254 112 ASP N N 116.939 0.1 1 814 254 112 ASP CA C 50.229 0.5 1 815 254 112 ASP HA H 4.481 0.02 1 816 254 112 ASP C C 172.994 0.5 1 817 254 112 ASP CB C 32.453 0.5 1 818 254 112 ASP HB2 H 2.728 0.02 2 819 255 113 GLU H H 8.056 0.02 1 820 255 113 GLU N N 117.293 0.1 1 821 255 113 GLU CA C 51.504 0.5 1 822 255 113 GLU HA H 4.271 0.02 1 823 255 113 GLU C C 172.270 0.5 1 824 255 113 GLU CB C 20.767 0.5 1 825 255 113 GLU HB2 H 2.217 0.02 1 826 255 113 GLU HB3 H 2.029 0.02 1 827 255 113 GLU HG2 H 2.521 0.02 1 828 255 113 GLU HG3 H 2.363 0.02 1 829 256 114 LEU H H 8.414 0.02 1 830 256 114 LEU N N 117.837 0.1 1 831 256 114 LEU CA C 51.363 0.5 1 832 256 114 LEU HA H 4.073 0.02 1 833 256 114 LEU C C 171.658 0.5 1 834 256 114 LEU CB C 33.657 0.5 1 835 256 114 LEU HB2 H 1.997 0.02 1 836 256 114 LEU HB3 H 1.949 0.02 1 837 257 115 GLU H H 8.374 0.02 1 838 257 115 GLU N N 114.114 0.1 1 839 257 115 GLU CA C 52.142 0.5 1 840 257 115 GLU HA H 4.030 0.02 1 841 257 115 GLU C C 172.898 0.5 1 842 257 115 GLU CB C 21.192 0.5 1 843 257 115 GLU HB2 H 2.153 0.02 1 844 257 115 GLU HB3 H 2.196 0.02 1 845 258 116 ALA H H 8.052 0.02 1 846 258 116 ALA N N 117.900 0.1 1 847 258 116 ALA CA C 47.892 0.5 1 848 258 116 ALA HA H 4.180 0.02 1 849 258 116 ALA C C 174.105 0.5 1 850 258 116 ALA CB C 10.356 0.5 1 851 259 117 PHE H H 8.831 0.02 1 852 259 117 PHE N N 116.276 0.1 1 853 259 117 PHE CA C 54.052 0.5 1 854 259 117 PHE HA H 4.100 0.02 1 855 259 117 PHE C C 170.515 0.5 1 856 259 117 PHE CB C 31.974 0.5 1 857 259 117 PHE HB2 H 1.955 0.02 2 858 260 118 LYS H H 8.255 0.02 1 859 260 118 LYS N N 113.991 0.1 1 860 260 118 LYS CA C 53.912 0.5 1 861 260 118 LYS HA H 3.440 0.02 1 862 260 118 LYS C C 171.755 0.5 1 863 260 118 LYS CB C 23.954 0.5 1 864 261 119 GLU H H 7.518 0.02 1 865 261 119 GLU N N 112.864 0.1 1 866 261 119 GLU CA C 52.212 0.5 1 867 261 119 GLU HA H 4.051 0.02 1 868 261 119 GLU C C 172.946 0.5 1 869 261 119 GLU CB C 21.334 0.5 1 870 261 119 GLU HB2 H 2.158 0.02 1 871 261 119 GLU HB3 H 2.104 0.02 1 872 262 120 ARG H H 7.872 0.02 1 873 262 120 ARG N N 117.561 0.1 1 874 262 120 ARG CA C 52.637 0.5 1 875 262 120 ARG HA H 4.084 0.02 1 876 262 120 ARG C C 173.349 0.5 1 877 262 120 ARG CB C 22.183 0.5 1 878 262 120 ARG HB2 H 2.630 0.02 2 879 263 121 VAL H H 8.331 0.02 1 880 263 121 VAL N N 117.109 0.1 1 881 263 121 VAL CA C 59.861 0.5 1 882 263 121 VAL C C 171.256 0.5 1 883 263 121 VAL CB C 23.458 0.5 1 884 264 122 ARG H H 8.087 0.02 1 885 264 122 ARG N N 114.012 0.1 1 886 264 122 ARG CA C 53.558 0.5 1 887 264 122 ARG C C 172.978 0.5 1 888 264 122 ARG CB C 21.900 0.5 1 889 265 123 GLY H H 7.998 0.02 1 890 265 123 GLY N N 101.708 0.1 1 891 265 123 GLY CA C 39.960 0.5 1 892 265 123 GLY C C 170.097 0.5 1 893 266 124 ARG H H 8.169 0.02 1 894 266 124 ARG N N 117.640 0.1 1 895 266 124 ARG CA C 51.292 0.5 1 896 266 124 ARG C C 172.955 0.5 1 897 266 124 ARG CB C 22.113 0.5 1 898 267 125 ALA H H 8.636 0.02 1 899 267 125 ALA N N 118.572 0.1 1 900 267 125 ALA CA C 47.792 0.5 1 901 267 125 ALA C C 172.077 0.5 1 902 267 125 ALA CB C 11.572 0.5 1 903 268 126 LYS H H 7.598 0.02 1 904 268 126 LYS N N 112.395 0.1 1 905 268 126 LYS CA C 52.071 0.5 1 906 268 126 LYS C C 171.900 0.5 1 907 268 126 LYS CB C 24.521 0.5 1 908 269 127 LEU H H 7.316 0.02 1 909 269 127 LEU N N 113.326 0.1 1 910 269 127 LEU CA C 49.946 0.5 1 911 269 127 LEU HA H 4.245 0.02 1 912 269 127 LEU C C 172.222 0.5 1 913 269 127 LEU CB C 34.223 0.5 1 914 269 127 LEU HB2 H 1.939 0.02 2 915 270 128 ARG H H 7.590 0.02 1 916 270 128 ARG N N 114.390 0.1 1 917 270 128 ARG CA C 51.150 0.5 1 918 270 128 ARG C C 171.787 0.5 1 919 270 128 ARG CB C 22.679 0.5 1 920 271 129 ILE H H 7.893 0.02 1 921 271 129 ILE N N 115.080 0.1 1 922 271 129 ILE CA C 56.391 0.5 1 923 271 129 ILE HA H 3.987 0.02 1 924 271 129 ILE C C 171.175 0.5 1 925 271 129 ILE CB C 30.895 0.5 1 926 272 130 GLU H H 8.159 0.02 1 927 272 130 GLU N N 116.556 0.1 1 928 272 130 GLU CA C 51.008 0.5 1 929 272 130 GLU C C 171.159 0.5 1 930 272 130 GLU CB C 22.042 0.5 1 931 273 131 LYS H H 7.921 0.02 1 932 273 131 LYS N N 114.748 0.1 1 933 273 131 LYS CA C 49.805 0.5 1 934 273 131 LYS CB C 24.733 0.5 1 935 274 132 ALA H H 7.839 0.02 1 936 274 132 ALA N N 118.250 0.1 1 937 274 132 ALA CA C 45.555 0.5 1 938 274 132 ALA CB C 11.347 0.5 1 939 275 133 MET H H 7.849 0.02 1 940 275 133 MET N N 118.531 0.1 1 941 275 133 MET CA C 54.408 0.5 1 942 275 133 MET HA H 4.317 0.02 1 943 275 133 MET C C 168.681 0.5 1 944 275 133 MET CB C 21.404 0.5 1 945 276 134 LYS H H 7.744 0.02 1 946 276 134 LYS N N 122.659 0.1 1 947 276 134 LYS CA C 50.654 0.5 1 948 276 134 LYS CB C 25.725 0.5 1 stop_ save_