data_16110 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the conserved C-terminal dimerization domain of Borealin ; _BMRB_accession_number 16110 _BMRB_flat_file_name bmr16110.str _Entry_type original _Submission_date 2009-01-06 _Accession_date 2009-01-06 _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 Lingel Andreas . . 2 Fairbrother Wayne . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 377 "13C chemical shifts" 225 "15N chemical shifts" 68 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-02 update BMRB 'edit assembly name' 2009-08-07 update BMRB 'completed entry citation' 2009-06-25 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Phosphorylation of a Borealin dimerization domain is required for proper chromosome segregation' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19530738 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bourhis Eric . . 2 Lingel Andreas . . 3 Phung Qui . . 4 Fairbrother Wayne J. . 5 Cochran Andrea G. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 48 _Journal_issue 29 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6783 _Page_last 6793 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Borealin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $Borealin entity_2 $Borealin 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_Borealin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Borealin _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 76 _Mol_residue_sequence ; GSAGERIYNISGNGSPLADS KEIFLTVPVGGGESLRLLAS DLQRHSIAQLDPEALGNIKK LSNRLAQICSSIRTHK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 205 GLY 2 206 SER 3 207 ALA 4 208 GLY 5 209 GLU 6 210 ARG 7 211 ILE 8 212 TYR 9 213 ASN 10 214 ILE 11 215 SER 12 216 GLY 13 217 ASN 14 218 GLY 15 219 SER 16 220 PRO 17 221 LEU 18 222 ALA 19 223 ASP 20 224 SER 21 225 LYS 22 226 GLU 23 227 ILE 24 228 PHE 25 229 LEU 26 230 THR 27 231 VAL 28 232 PRO 29 233 VAL 30 234 GLY 31 235 GLY 32 236 GLY 33 237 GLU 34 238 SER 35 239 LEU 36 240 ARG 37 241 LEU 38 242 LEU 39 243 ALA 40 244 SER 41 245 ASP 42 246 LEU 43 247 GLN 44 248 ARG 45 249 HIS 46 250 SER 47 251 ILE 48 252 ALA 49 253 GLN 50 254 LEU 51 255 ASP 52 256 PRO 53 257 GLU 54 258 ALA 55 259 LEU 56 260 GLY 57 261 ASN 58 262 ILE 59 263 LYS 60 264 LYS 61 265 LEU 62 266 SER 63 267 ASN 64 268 ARG 65 269 LEU 66 270 ALA 67 271 GLN 68 272 ILE 69 273 CYS 70 274 SER 71 275 SER 72 276 ILE 73 277 ARG 74 278 THR 75 279 HIS 76 280 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-30 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 2KDD "Solution Structure Of The Conserved C-Terminal Dimerization Domain Of Borealin" 100.00 76 100.00 100.00 8.94e-46 DBJ BAA91629 "unnamed protein product [Homo sapiens]" 98.68 280 98.67 100.00 2.52e-43 DBJ BAB13961 "unnamed protein product [Homo sapiens]" 98.68 280 98.67 100.00 2.52e-43 DBJ BAB14125 "unnamed protein product [Homo sapiens]" 98.68 280 98.67 100.00 2.52e-43 DBJ BAD96269 "cell division cycle associated 8 variant [Homo sapiens]" 98.68 280 97.33 100.00 1.15e-42 DBJ BAD96288 "cell division cycle associated 8 variant [Homo sapiens]" 98.68 280 98.67 100.00 2.34e-43 EMBL CAH90785 "hypothetical protein [Pongo abelii]" 98.68 280 98.67 100.00 2.52e-43 GB AAH00703 "CDCA8 protein [Homo sapiens]" 98.68 280 98.67 100.00 2.52e-43 GB AAH01651 "CDCA8 protein [Homo sapiens]" 98.68 280 98.67 100.00 2.52e-43 GB AAH08079 "Cell division cycle associated 8 [Homo sapiens]" 98.68 280 98.67 100.00 2.52e-43 GB AAH16944 "Cell division cycle associated 8 [Homo sapiens]" 98.68 280 98.67 100.00 2.55e-43 GB AAR91699 "pluripotent embryonic stem cell-related protein 3 [Homo sapiens]" 98.68 280 98.67 100.00 2.52e-43 REF NP_001127334 "borealin [Pongo abelii]" 98.68 280 98.67 100.00 2.52e-43 REF NP_001233359 "borealin [Pan troglodytes]" 98.68 280 98.67 100.00 2.52e-43 REF NP_001243804 "borealin [Homo sapiens]" 98.68 280 98.67 100.00 2.52e-43 REF NP_060571 "borealin [Homo sapiens]" 98.68 280 98.67 100.00 2.52e-43 REF XP_001115347 "PREDICTED: borealin-like isoform 1 [Macaca mulatta]" 98.68 280 97.33 100.00 8.62e-43 SP Q53HL2 "RecName: Full=Borealin; AltName: Full=Cell division cycle-associated protein 8; AltName: Full=Dasra-B; Short=hDasra-B; AltName:" 98.68 280 98.67 100.00 2.52e-43 SP Q5RBS5 "RecName: Full=Borealin; AltName: Full=Cell division cycle-associated protein 8" 98.68 280 98.67 100.00 2.52e-43 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Borealin 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 $Borealin 'recombinant technology' . Escherichia coli . pET21 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_unlabeled_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Borealin 0.6 mM 'natural abundance' 'sodium phosphate' 40 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_15N_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Borealin 0.8 mM '[U-100% 15N]' 'sodium phosphate' 40 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_15N_13C_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Borealin 0.7 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 40 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_15N_13C_sample_D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Borealin 0.7 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 40 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_mixed_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Borealin 0.4 mM '[U-100% 13C; U-100% 15N]' $Borealin 0.4 mM 'natural abundance' 'sodium phosphate' 40 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_CCPN _Saveframe_category software _Name CCPN _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version 2.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task Display stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details 'cryogenic triple-resonance probe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details 'room temperature triple-resonance probe' save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N_sample save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $15N_13C_sample_D2O save_ save_3D_HNHA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $15N_sample save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $unlabeled_sample save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N_sample save_ save_3D_1H-13C_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $mixed_sample save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $15N_13C_sample save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $15N_13C_sample save_ save_3D_CBCA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $15N_13C_sample save_ save_3D_C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $15N_13C_sample save_ save_3D_H(CCO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $15N_13C_sample save_ save_3D_1H-15N_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $15N_13C_sample_D2O save_ save_2D_1H-15N_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N_sample save_ save_2D_1H-13C_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $15N_13C_sample save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 7.2 . pH pressure 1 . atm temperature 299 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HNHA' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D C(CO)NH' '3D H(CCO)NH' '3D 1H-15N TOCSY' stop_ loop_ _Sample_label $15N_sample $15N_13C_sample_D2O $15N_13C_sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1 _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 1 208 4 GLY H H 8.317 0.02 1 2 209 5 GLU H H 8.106 0.02 1 3 209 5 GLU HA H 4.244 0.02 1 4 209 5 GLU HB2 H 1.893 0.02 2 5 209 5 GLU HB3 H 1.989 0.02 2 6 209 5 GLU HG2 H 2.206 0.02 2 7 209 5 GLU CA C 55.728 0.2 1 8 209 5 GLU CB C 29.946 0.2 1 9 209 5 GLU CG C 35.618 0.2 1 10 209 5 GLU N N 120.266 0.1 1 11 210 6 ARG H H 8.279 0.02 1 12 210 6 ARG HA H 4.260 0.02 1 13 210 6 ARG HB2 H 1.668 0.02 2 14 210 6 ARG HD2 H 3.106 0.02 2 15 210 6 ARG HG2 H 1.444 0.02 2 16 210 6 ARG HG3 H 1.512 0.02 2 17 210 6 ARG CA C 55.728 0.2 1 18 210 6 ARG CB C 29.946 0.2 1 19 210 6 ARG CD C 42.837 0.2 1 20 210 6 ARG CG C 26.853 0.2 1 21 210 6 ARG N N 122.148 0.1 1 22 211 7 ILE H H 8.042 0.02 1 23 211 7 ILE HA H 4.081 0.02 1 24 211 7 ILE HB H 1.699 0.02 1 25 211 7 ILE HD1 H 0.755 0.02 1 26 211 7 ILE HG12 H 1.042 0.02 2 27 211 7 ILE HG13 H 1.288 0.02 2 28 211 7 ILE HG2 H 0.734 0.02 1 29 211 7 ILE CA C 60.306 0.2 1 30 211 7 ILE CB C 38.221 0.2 1 31 211 7 ILE CD1 C 12.388 0.2 1 32 211 7 ILE CG1 C 26.809 0.2 1 33 211 7 ILE CG2 C 17.093 0.2 1 34 211 7 ILE N N 121.663 0.1 1 35 212 8 TYR H H 8.225 0.02 1 36 212 8 TYR HA H 4.571 0.02 1 37 212 8 TYR HB2 H 2.818 0.02 2 38 212 8 TYR HB3 H 2.987 0.02 2 39 212 8 TYR HD1 H 7.049 0.02 3 40 212 8 TYR HD2 H 7.049 0.02 3 41 212 8 TYR HE1 H 6.747 0.02 3 42 212 8 TYR HE2 H 6.747 0.02 3 43 212 8 TYR CA C 57.159 0.2 1 44 212 8 TYR CB C 38.596 0.2 1 45 212 8 TYR CD1 C 132.469 0.2 3 46 212 8 TYR CD2 C 132.469 0.2 3 47 212 8 TYR CE1 C 116.501 0.2 3 48 212 8 TYR CE2 C 116.501 0.2 3 49 212 8 TYR N N 123.846 0.1 1 50 213 9 ASN H H 8.332 0.02 1 51 213 9 ASN HA H 4.679 0.02 1 52 213 9 ASN HB2 H 2.646 0.02 2 53 213 9 ASN HB3 H 2.752 0.02 2 54 213 9 ASN CA C 52.659 0.2 1 55 213 9 ASN CB C 38.221 0.2 1 56 213 9 ASN N N 120.610 0.1 1 57 214 10 ILE H H 8.075 0.02 1 58 214 10 ILE HA H 4.158 0.02 1 59 214 10 ILE HB H 1.842 0.02 1 60 214 10 ILE HD1 H 0.808 0.02 1 61 214 10 ILE HG12 H 1.117 0.02 2 62 214 10 ILE HG13 H 1.384 0.02 2 63 214 10 ILE HG2 H 0.858 0.02 1 64 214 10 ILE CA C 60.740 0.2 1 65 214 10 ILE CB C 38.052 0.2 1 66 214 10 ILE CD1 C 12.807 0.2 1 67 214 10 ILE CG1 C 26.708 0.2 1 68 214 10 ILE CG2 C 16.902 0.2 1 69 214 10 ILE N N 120.796 0.1 1 70 215 11 SER H H 8.330 0.02 1 71 215 11 SER HA H 4.424 0.02 1 72 215 11 SER HB2 H 3.821 0.02 2 73 215 11 SER HB3 H 3.856 0.02 2 74 215 11 SER CA C 57.436 0.2 1 75 215 11 SER CB C 63.197 0.2 1 76 215 11 SER N N 118.792 0.1 1 77 218 14 GLY H H 8.372 0.02 1 78 218 14 GLY HA2 H 3.906 0.02 2 79 218 14 GLY N N 109.059 0.1 1 80 219 15 SER H H 7.823 0.02 1 81 219 15 SER HA H 4.714 0.02 1 82 219 15 SER HB2 H 3.805 0.02 2 83 219 15 SER CA C 55.583 0.2 1 84 219 15 SER CB C 62.838 0.2 1 85 219 15 SER N N 114.991 0.1 1 86 220 16 PRO HA H 4.402 0.02 1 87 220 16 PRO HB2 H 1.851 0.02 2 88 220 16 PRO HB3 H 2.228 0.02 2 89 220 16 PRO HD2 H 3.659 0.02 2 90 220 16 PRO HD3 H 3.761 0.02 2 91 220 16 PRO HG2 H 1.937 0.02 2 92 220 16 PRO CA C 62.762 0.2 1 93 220 16 PRO CB C 31.349 0.2 1 94 220 16 PRO CD C 49.912 0.2 1 95 220 16 PRO CG C 26.698 0.2 1 96 221 17 LEU H H 8.183 0.02 1 97 221 17 LEU HA H 4.231 0.02 1 98 221 17 LEU HB2 H 1.523 0.02 2 99 221 17 LEU HB3 H 1.543 0.02 2 100 221 17 LEU HD1 H 0.793 0.02 1 101 221 17 LEU HD2 H 0.833 0.02 1 102 221 17 LEU HG H 1.545 0.02 1 103 221 17 LEU CA C 54.552 0.2 1 104 221 17 LEU CB C 41.662 0.2 1 105 221 17 LEU CD1 C 23.099 0.2 2 106 221 17 LEU CD2 C 24.130 0.2 2 107 221 17 LEU CG C 26.708 0.2 1 108 221 17 LEU N N 121.747 0.1 1 109 222 18 ALA H H 8.146 0.02 1 110 222 18 ALA HA H 4.207 0.02 1 111 222 18 ALA HB H 1.325 0.02 1 112 222 18 ALA CA C 52.273 0.2 1 113 222 18 ALA CB C 18.758 0.2 1 114 222 18 ALA N N 124.243 0.1 1 115 223 19 ASP H H 8.205 0.02 1 116 223 19 ASP HA H 4.544 0.02 1 117 223 19 ASP HB2 H 2.582 0.02 2 118 223 19 ASP HB3 H 2.669 0.02 2 119 223 19 ASP CA C 53.324 0.2 1 120 223 19 ASP CB C 40.433 0.2 1 121 223 19 ASP N N 119.284 0.1 1 122 224 20 SER H H 8.077 0.02 1 123 224 20 SER HA H 4.325 0.02 1 124 224 20 SER HB2 H 3.828 0.02 2 125 224 20 SER HB3 H 3.908 0.02 2 126 224 20 SER CA C 57.953 0.2 1 127 224 20 SER CB C 63.102 0.2 1 128 224 20 SER N N 115.588 0.1 1 129 225 21 LYS H H 8.503 0.02 1 130 225 21 LYS HA H 4.349 0.02 1 131 225 21 LYS HB2 H 1.677 0.02 2 132 225 21 LYS HB3 H 1.905 0.02 2 133 225 21 LYS HD2 H 1.560 0.02 2 134 225 21 LYS HD3 H 1.625 0.02 2 135 225 21 LYS HE2 H 2.915 0.02 2 136 225 21 LYS HG2 H 1.331 0.02 2 137 225 21 LYS HG3 H 1.414 0.02 2 138 225 21 LYS CA C 54.872 0.2 1 139 225 21 LYS CB C 31.667 0.2 1 140 225 21 LYS CD C 28.058 0.2 1 141 225 21 LYS CE C 40.949 0.2 1 142 225 21 LYS CG C 23.933 0.2 1 143 225 21 LYS N N 122.563 0.1 1 144 226 22 GLU H H 7.688 0.02 1 145 226 22 GLU HA H 4.264 0.02 1 146 226 22 GLU HB2 H 1.843 0.02 2 147 226 22 GLU HB3 H 1.917 0.02 2 148 226 22 GLU HG2 H 2.212 0.02 2 149 226 22 GLU CA C 55.728 0.2 1 150 226 22 GLU CB C 30.636 0.2 1 151 226 22 GLU CG C 35.326 0.2 1 152 226 22 GLU N N 119.810 0.1 1 153 227 23 ILE H H 8.111 0.02 1 154 227 23 ILE HA H 4.498 0.02 1 155 227 23 ILE HB H 1.598 0.02 1 156 227 23 ILE HD1 H 0.854 0.02 1 157 227 23 ILE HG12 H 1.170 0.02 2 158 227 23 ILE HG13 H 1.893 0.02 2 159 227 23 ILE HG2 H 0.811 0.02 1 160 227 23 ILE CA C 60.027 0.2 1 161 227 23 ILE CB C 38.370 0.2 1 162 227 23 ILE CD1 C 14.000 0.2 1 163 227 23 ILE CG1 C 28.060 0.2 1 164 227 23 ILE CG2 C 16.714 0.2 1 165 227 23 ILE N N 122.085 0.1 1 166 228 24 PHE H H 7.818 0.02 1 167 228 24 PHE HA H 5.467 0.02 1 168 228 24 PHE HB2 H 2.739 0.02 2 169 228 24 PHE HB3 H 2.925 0.02 2 170 228 24 PHE HD1 H 6.944 0.02 3 171 228 24 PHE HD2 H 6.944 0.02 3 172 228 24 PHE HE1 H 7.205 0.02 3 173 228 24 PHE HE2 H 7.205 0.02 3 174 228 24 PHE HZ H 7.254 0.02 1 175 228 24 PHE CA C 54.551 0.2 1 176 228 24 PHE CB C 41.685 0.2 1 177 228 24 PHE CD1 C 132.191 0.2 3 178 228 24 PHE CD2 C 132.191 0.2 3 179 228 24 PHE CE1 C 132.281 0.2 3 180 228 24 PHE CE2 C 132.281 0.2 3 181 228 24 PHE CZ C 129.001 0.2 1 182 228 24 PHE N N 118.840 0.1 1 183 229 25 LEU H H 9.271 0.02 1 184 229 25 LEU HA H 4.953 0.02 1 185 229 25 LEU HB2 H 1.424 0.02 2 186 229 25 LEU HB3 H 1.479 0.02 2 187 229 25 LEU HD1 H 0.699 0.02 1 188 229 25 LEU HD2 H 0.662 0.02 1 189 229 25 LEU HG H 1.485 0.02 1 190 229 25 LEU CA C 52.892 0.2 1 191 229 25 LEU CB C 44.755 0.2 1 192 229 25 LEU CD1 C 24.449 0.2 2 193 229 25 LEU CD2 C 25.199 0.2 2 194 229 25 LEU CG C 27.027 0.2 1 195 229 25 LEU N N 123.803 0.1 1 196 230 26 THR H H 8.493 0.02 1 197 230 26 THR HA H 5.104 0.02 1 198 230 26 THR HB H 2.769 0.02 1 199 230 26 THR HG2 H 0.942 0.02 1 200 230 26 THR CA C 61.771 0.2 1 201 230 26 THR CB C 68.733 0.2 1 202 230 26 THR CG2 C 21.263 0.2 1 203 230 26 THR N N 121.119 0.1 1 204 231 27 VAL H H 9.001 0.02 1 205 231 27 VAL HA H 4.600 0.02 1 206 231 27 VAL HB H 2.052 0.02 1 207 231 27 VAL HG1 H 0.838 0.02 1 208 231 27 VAL HG2 H 0.763 0.02 1 209 231 27 VAL CA C 56.940 0.2 1 210 231 27 VAL CB C 33.730 0.2 1 211 231 27 VAL CG1 C 19.953 0.2 2 212 231 27 VAL CG2 C 19.920 0.2 2 213 231 27 VAL N N 124.749 0.1 1 214 232 28 PRO HA H 4.661 0.02 1 215 232 28 PRO HB2 H 1.905 0.02 2 216 232 28 PRO HB3 H 2.334 0.02 2 217 232 28 PRO HD2 H 3.457 0.02 2 218 232 28 PRO HD3 H 3.772 0.02 2 219 232 28 PRO HG2 H 1.809 0.02 2 220 232 28 PRO HG3 H 1.960 0.02 2 221 232 28 PRO CA C 62.233 0.2 1 222 232 28 PRO CB C 31.667 0.2 1 223 232 28 PRO CD C 50.799 0.2 1 224 232 28 PRO CG C 27.037 0.2 1 225 233 29 VAL H H 8.171 0.02 1 226 233 29 VAL HA H 4.565 0.02 1 227 233 29 VAL HB H 2.270 0.02 1 228 233 29 VAL HG1 H 0.851 0.02 1 229 233 29 VAL HG2 H 0.706 0.02 1 230 233 29 VAL CA C 60.027 0.2 1 231 233 29 VAL CB C 32.699 0.2 1 232 233 29 VAL CG1 C 21.355 0.2 2 233 233 29 VAL CG2 C 18.588 0.2 2 234 233 29 VAL N N 116.136 0.1 1 235 234 30 GLY H H 8.143 0.02 1 236 234 30 GLY HA2 H 3.824 0.02 2 237 234 30 GLY HA3 H 4.209 0.02 2 238 234 30 GLY CA C 44.635 0.2 1 239 234 30 GLY N N 110.455 0.1 1 240 236 32 GLY H H 8.305 0.02 1 241 236 32 GLY HA2 H 3.836 0.02 2 242 236 32 GLY HA3 H 4.103 0.02 2 243 236 32 GLY CA C 44.635 0.2 1 244 236 32 GLY N N 107.539 0.1 1 245 237 33 GLU H H 7.583 0.02 1 246 237 33 GLU HA H 4.564 0.02 1 247 237 33 GLU HB2 H 1.893 0.02 2 248 237 33 GLU HB3 H 1.990 0.02 2 249 237 33 GLU HG2 H 2.119 0.02 2 250 237 33 GLU HG3 H 2.246 0.02 2 251 237 33 GLU CA C 54.355 0.2 1 252 237 33 GLU CB C 30.636 0.2 1 253 237 33 GLU CG C 35.277 0.2 1 254 237 33 GLU N N 120.218 0.1 1 255 238 34 SER H H 8.630 0.02 1 256 238 34 SER HA H 5.012 0.02 1 257 238 34 SER HB2 H 3.451 0.02 2 258 238 34 SER HB3 H 3.585 0.02 2 259 238 34 SER CA C 56.915 0.2 1 260 238 34 SER CB C 64.663 0.2 1 261 238 34 SER N N 116.390 0.1 1 262 239 35 LEU H H 8.838 0.02 1 263 239 35 LEU HA H 4.577 0.02 1 264 239 35 LEU HB2 H 1.439 0.02 2 265 239 35 LEU HB3 H 1.530 0.02 2 266 239 35 LEU HD1 H 0.839 0.02 1 267 239 35 LEU HD2 H 0.792 0.02 1 268 239 35 LEU HG H 1.455 0.02 1 269 239 35 LEU CA C 52.808 0.2 1 270 239 35 LEU CB C 44.156 0.2 1 271 239 35 LEU CD1 C 23.933 0.2 2 272 239 35 LEU CD2 C 23.933 0.2 2 273 239 35 LEU CG C 26.511 0.2 1 274 239 35 LEU N N 124.463 0.1 1 275 240 36 ARG H H 8.526 0.02 1 276 240 36 ARG HA H 5.077 0.02 1 277 240 36 ARG HB2 H 1.517 0.02 2 278 240 36 ARG HD2 H 2.578 0.02 2 279 240 36 ARG HD3 H 2.603 0.02 2 280 240 36 ARG HG2 H 1.244 0.02 2 281 240 36 ARG HG3 H 1.402 0.02 2 282 240 36 ARG CA C 54.483 0.2 1 283 240 36 ARG CB C 30.777 0.2 1 284 240 36 ARG CD C 42.643 0.2 1 285 240 36 ARG CG C 26.617 0.2 1 286 240 36 ARG N N 124.891 0.1 1 287 241 37 LEU H H 9.179 0.02 1 288 241 37 LEU HA H 4.740 0.02 1 289 241 37 LEU HB2 H 1.273 0.02 2 290 241 37 LEU HB3 H 1.671 0.02 2 291 241 37 LEU HD1 H 0.668 0.02 1 292 241 37 LEU HD2 H 0.801 0.02 1 293 241 37 LEU HG H 1.461 0.02 1 294 241 37 LEU CA C 52.292 0.2 1 295 241 37 LEU CB C 43.208 0.2 1 296 241 37 LEU CD1 C 24.964 0.2 2 297 241 37 LEU CD2 C 22.902 0.2 2 298 241 37 LEU CG C 25.995 0.2 1 299 241 37 LEU N N 126.203 0.1 1 300 242 38 LEU H H 8.825 0.02 1 301 242 38 LEU HA H 4.371 0.02 1 302 242 38 LEU HB2 H 1.575 0.02 2 303 242 38 LEU HB3 H 1.685 0.02 2 304 242 38 LEU HD1 H 0.787 0.02 1 305 242 38 LEU HD2 H 0.743 0.02 1 306 242 38 LEU HG H 1.583 0.02 1 307 242 38 LEU CA C 54.508 0.2 1 308 242 38 LEU CB C 41.583 0.2 1 309 242 38 LEU CD1 C 24.007 0.2 2 310 242 38 LEU CD2 C 23.491 0.2 2 311 242 38 LEU CG C 27.066 0.2 1 312 242 38 LEU N N 124.999 0.1 1 313 243 39 ALA H H 8.634 0.02 1 314 243 39 ALA HA H 3.799 0.02 1 315 243 39 ALA HB H 1.400 0.02 1 316 243 39 ALA CA C 54.852 0.2 1 317 243 39 ALA CB C 18.243 0.2 1 318 243 39 ALA N N 125.146 0.1 1 319 244 40 SER H H 8.414 0.02 1 320 244 40 SER HA H 4.074 0.02 1 321 244 40 SER HB2 H 3.864 0.02 2 322 244 40 SER HB3 H 3.904 0.02 2 323 244 40 SER CA C 58.977 0.2 1 324 244 40 SER CB C 61.561 0.2 1 325 244 40 SER N N 109.494 0.1 1 326 245 41 ASP H H 7.434 0.02 1 327 245 41 ASP HA H 4.809 0.02 1 328 245 41 ASP HB2 H 2.530 0.02 2 329 245 41 ASP HB3 H 2.711 0.02 2 330 245 41 ASP CA C 52.990 0.2 1 331 245 41 ASP CB C 41.792 0.2 1 332 245 41 ASP N N 120.452 0.1 1 333 246 42 LEU H H 7.338 0.02 1 334 246 42 LEU HA H 4.098 0.02 1 335 246 42 LEU HB2 H 1.269 0.02 2 336 246 42 LEU HB3 H 1.661 0.02 2 337 246 42 LEU HD1 H 0.636 0.02 2 338 246 42 LEU HD2 H 0.747 0.02 2 339 246 42 LEU CA C 55.068 0.2 1 340 246 42 LEU CB C 41.861 0.2 1 341 246 42 LEU CD1 C 24.864 0.2 2 342 246 42 LEU CD2 C 24.964 0.2 2 343 246 42 LEU N N 121.293 0.1 1 344 247 43 GLN H H 8.170 0.02 1 345 247 43 GLN HA H 4.532 0.02 1 346 247 43 GLN HB2 H 1.581 0.02 2 347 247 43 GLN HB3 H 2.196 0.02 2 348 247 43 GLN HE21 H 6.774 0.02 2 349 247 43 GLN HE22 H 7.460 0.02 2 350 247 43 GLN HG2 H 2.370 0.02 2 351 247 43 GLN CA C 53.005 0.2 1 352 247 43 GLN CB C 30.978 0.2 1 353 247 43 GLN CG C 32.614 0.2 1 354 247 43 GLN N N 122.477 0.1 1 355 247 43 GLN NE2 N 112.182 0.1 1 356 248 44 ARG HA H 3.753 0.02 1 357 248 44 ARG HB2 H 1.818 0.02 2 358 248 44 ARG HB3 H 1.863 0.02 2 359 248 44 ARG HD2 H 3.162 0.02 2 360 248 44 ARG HG2 H 1.441 0.02 2 361 248 44 ARG HG3 H 1.570 0.02 2 362 248 44 ARG CA C 59.812 0.2 1 363 248 44 ARG CB C 29.306 0.2 1 364 248 44 ARG CD C 42.712 0.2 1 365 248 44 ARG CG C 27.243 0.2 1 366 249 45 HIS H H 8.364 0.02 1 367 249 45 HIS HA H 4.294 0.02 1 368 249 45 HIS HB2 H 3.031 0.02 2 369 249 45 HIS HB3 H 3.160 0.02 2 370 249 45 HIS HD2 H 6.955 0.02 1 371 249 45 HIS HE1 H 7.715 0.02 1 372 249 45 HIS CA C 58.462 0.2 1 373 249 45 HIS CB C 29.071 0.2 1 374 249 45 HIS N N 114.528 0.1 1 375 250 46 SER H H 7.020 0.02 1 376 250 46 SER HA H 4.153 0.02 1 377 250 46 SER HB2 H 3.795 0.02 2 378 250 46 SER CA C 59.493 0.2 1 379 250 46 SER CB C 62.071 0.2 1 380 250 46 SER N N 113.900 0.1 1 381 251 47 ILE H H 7.106 0.02 1 382 251 47 ILE HA H 3.994 0.02 1 383 251 47 ILE HB H 1.861 0.02 1 384 251 47 ILE HD1 H 0.597 0.02 1 385 251 47 ILE HG12 H 1.251 0.02 2 386 251 47 ILE HG2 H 0.701 0.02 1 387 251 47 ILE CA C 60.337 0.2 1 388 251 47 ILE CB C 36.727 0.2 1 389 251 47 ILE CD1 C 10.955 0.2 1 390 251 47 ILE CG1 C 27.446 0.2 1 391 251 47 ILE CG2 C 17.607 0.2 1 392 251 47 ILE N N 115.759 0.1 1 393 252 48 ALA H H 8.117 0.02 1 394 252 48 ALA HA H 3.979 0.02 1 395 252 48 ALA HB H 1.382 0.02 1 396 252 48 ALA CA C 53.821 0.2 1 397 252 48 ALA CB C 17.727 0.2 1 398 252 48 ALA N N 120.091 0.1 1 399 253 49 GLN H H 7.346 0.02 1 400 253 49 GLN HA H 4.324 0.02 1 401 253 49 GLN HB2 H 1.997 0.02 2 402 253 49 GLN HB3 H 2.170 0.02 2 403 253 49 GLN HE21 H 6.804 0.02 2 404 253 49 GLN HE22 H 7.386 0.02 2 405 253 49 GLN HG2 H 2.286 0.02 2 406 253 49 GLN HG3 H 2.316 0.02 2 407 253 49 GLN CA C 54.552 0.2 1 408 253 49 GLN CB C 28.255 0.2 1 409 253 49 GLN CG C 32.896 0.2 1 410 253 49 GLN N N 112.219 0.1 1 411 253 49 GLN NE2 N 111.407 0.1 1 412 254 50 LEU H H 7.243 0.02 1 413 254 50 LEU HA H 4.198 0.02 1 414 254 50 LEU HB2 H 1.485 0.02 2 415 254 50 LEU HB3 H 1.832 0.02 2 416 254 50 LEU HD1 H 0.797 0.02 1 417 254 50 LEU HD2 H 0.784 0.02 1 418 254 50 LEU HG H 1.913 0.02 1 419 254 50 LEU CA C 53.971 0.2 1 420 254 50 LEU CB C 41.662 0.2 1 421 254 50 LEU CD1 C 25.792 0.2 2 422 254 50 LEU CD2 C 22.068 0.2 2 423 254 50 LEU CG C 26.061 0.2 1 424 254 50 LEU N N 120.510 0.1 1 425 255 51 ASP H H 8.210 0.02 1 426 255 51 ASP HA H 4.664 0.02 1 427 255 51 ASP HB2 H 2.666 0.02 2 428 255 51 ASP HB3 H 2.926 0.02 2 429 255 51 ASP CA C 52.490 0.2 1 430 255 51 ASP CB C 40.259 0.2 1 431 255 51 ASP N N 119.691 0.1 1 432 256 52 PRO HA H 4.125 0.02 1 433 256 52 PRO HB2 H 1.910 0.02 2 434 256 52 PRO HB3 H 2.347 0.02 2 435 256 52 PRO HD2 H 3.778 0.02 2 436 256 52 PRO HD3 H 3.871 0.02 2 437 256 52 PRO HG2 H 1.987 0.02 2 438 256 52 PRO HG3 H 2.149 0.02 2 439 256 52 PRO CA C 65.380 0.2 1 440 256 52 PRO CB C 31.865 0.2 1 441 256 52 PRO CD C 49.912 0.2 1 442 256 52 PRO CG C 27.224 0.2 1 443 257 53 GLU H H 8.432 0.02 1 444 257 53 GLU HA H 4.073 0.02 1 445 257 53 GLU HB2 H 2.042 0.02 2 446 257 53 GLU HG2 H 2.181 0.02 2 447 257 53 GLU HG3 H 2.245 0.02 2 448 257 53 GLU CA C 58.677 0.2 1 449 257 53 GLU CB C 28.771 0.2 1 450 257 53 GLU CG C 35.990 0.2 1 451 257 53 GLU N N 119.483 0.1 1 452 258 54 ALA H H 7.967 0.02 1 453 258 54 ALA HA H 4.240 0.02 1 454 258 54 ALA HB H 1.502 0.02 1 455 258 54 ALA CA C 54.552 0.2 1 456 258 54 ALA CB C 18.699 0.2 1 457 258 54 ALA N N 124.293 0.1 1 458 259 55 LEU H H 8.695 0.02 1 459 259 55 LEU HA H 3.902 0.02 1 460 259 55 LEU HB2 H 1.582 0.02 2 461 259 55 LEU HD1 H 0.841 0.02 1 462 259 55 LEU HD2 H 0.803 0.02 1 463 259 55 LEU HG H 1.497 0.02 1 464 259 55 LEU CA C 57.130 0.2 1 465 259 55 LEU CB C 41.192 0.2 1 466 259 55 LEU CD1 C 24.646 0.2 2 467 259 55 LEU CD2 C 23.099 0.2 2 468 259 55 LEU CG C 26.708 0.2 1 469 259 55 LEU N N 118.361 0.1 1 470 260 56 GLY H H 8.177 0.02 1 471 260 56 GLY HA2 H 3.723 0.02 2 472 260 56 GLY HA3 H 3.971 0.02 2 473 260 56 GLY CA C 46.302 0.2 1 474 260 56 GLY N N 105.789 0.1 1 475 261 57 ASN H H 7.914 0.02 1 476 261 57 ASN HA H 4.643 0.02 1 477 261 57 ASN HB2 H 2.730 0.02 2 478 261 57 ASN HB3 H 2.979 0.02 2 479 261 57 ASN HD21 H 7.235 0.02 2 480 261 57 ASN HD22 H 7.618 0.02 2 481 261 57 ASN CA C 54.945 0.2 1 482 261 57 ASN CB C 37.533 0.2 1 483 261 57 ASN N N 121.132 0.1 1 484 261 57 ASN ND2 N 113.805 0.1 1 485 262 58 ILE H H 8.732 0.02 1 486 262 58 ILE HA H 3.712 0.02 1 487 262 58 ILE HB H 2.082 0.02 1 488 262 58 ILE HD1 H 0.663 0.02 1 489 262 58 ILE HG12 H 1.157 0.02 2 490 262 58 ILE HG13 H 1.573 0.02 2 491 262 58 ILE HG2 H 0.815 0.02 1 492 262 58 ILE CA C 63.820 0.2 1 493 262 58 ILE CB C 35.990 0.2 1 494 262 58 ILE CD1 C 12.243 0.2 1 495 262 58 ILE CG1 C 28.771 0.2 1 496 262 58 ILE CG2 C 16.862 0.2 1 497 262 58 ILE N N 125.309 0.1 1 498 263 59 LYS H H 8.416 0.02 1 499 263 59 LYS HA H 4.075 0.02 1 500 263 59 LYS HB2 H 1.900 0.02 2 501 263 59 LYS HD2 H 1.620 0.02 2 502 263 59 LYS HD3 H 1.671 0.02 2 503 263 59 LYS HE2 H 2.820 0.02 2 504 263 59 LYS HE3 H 2.918 0.02 2 505 263 59 LYS HG2 H 1.283 0.02 2 506 263 59 LYS HG3 H 1.630 0.02 2 507 263 59 LYS CA C 59.708 0.2 1 508 263 59 LYS CB C 31.343 0.2 1 509 263 59 LYS CD C 29.347 0.2 1 510 263 59 LYS CE C 41.270 0.2 1 511 263 59 LYS CG C 26.358 0.2 1 512 263 59 LYS N N 122.080 0.1 1 513 264 60 LYS H H 7.793 0.02 1 514 264 60 LYS HA H 4.036 0.02 1 515 264 60 LYS HB2 H 1.903 0.02 2 516 264 60 LYS HD2 H 1.692 0.02 2 517 264 60 LYS HD3 H 1.723 0.02 2 518 264 60 LYS HE2 H 2.941 0.02 2 519 264 60 LYS HG2 H 1.429 0.02 2 520 264 60 LYS HG3 H 1.652 0.02 2 521 264 60 LYS CA C 59.708 0.2 1 522 264 60 LYS CB C 31.865 0.2 1 523 264 60 LYS CD C 28.771 0.2 1 524 264 60 LYS CE C 41.146 0.2 1 525 264 60 LYS CG C 25.162 0.2 1 526 264 60 LYS N N 119.503 0.1 1 527 265 61 LEU H H 7.797 0.02 1 528 265 61 LEU HA H 4.106 0.02 1 529 265 61 LEU HB2 H 1.639 0.02 2 530 265 61 LEU HB3 H 2.010 0.02 2 531 265 61 LEU HD1 H 0.815 0.02 1 532 265 61 LEU HD2 H 0.752 0.02 1 533 265 61 LEU HG H 1.436 0.02 1 534 265 61 LEU CA C 57.646 0.2 1 535 265 61 LEU CB C 40.177 0.2 1 536 265 61 LEU CD1 C 23.588 0.2 2 537 265 61 LEU CD2 C 25.593 0.2 2 538 265 61 LEU CG C 26.708 0.2 1 539 265 61 LEU N N 121.392 0.1 1 540 266 62 SER H H 8.775 0.02 1 541 266 62 SER HA H 4.001 0.02 1 542 266 62 SER HB2 H 3.707 0.02 2 543 266 62 SER HB3 H 4.049 0.02 2 544 266 62 SER HG H 5.618 0.02 1 545 266 62 SER CA C 60.224 0.2 1 546 266 62 SER CB C 62.758 0.2 1 547 266 62 SER N N 112.902 0.1 1 548 267 63 ASN H H 8.199 0.02 1 549 267 63 ASN HA H 4.393 0.02 1 550 267 63 ASN HB2 H 2.832 0.02 2 551 267 63 ASN HB3 H 2.906 0.02 2 552 267 63 ASN HD21 H 6.870 0.02 2 553 267 63 ASN HD22 H 7.675 0.02 2 554 267 63 ASN CA C 55.583 0.2 1 555 267 63 ASN CB C 37.537 0.2 1 556 267 63 ASN N N 117.813 0.1 1 557 267 63 ASN ND2 N 112.361 0.1 1 558 268 64 ARG H H 8.000 0.02 1 559 268 64 ARG HA H 4.118 0.02 1 560 268 64 ARG HB2 H 1.928 0.02 2 561 268 64 ARG HB3 H 1.985 0.02 2 562 268 64 ARG HD2 H 3.248 0.02 2 563 268 64 ARG HD3 H 3.313 0.02 2 564 268 64 ARG HG2 H 1.612 0.02 2 565 268 64 ARG HG3 H 1.776 0.02 2 566 268 64 ARG CA C 57.646 0.2 1 567 268 64 ARG CB C 29.307 0.2 1 568 268 64 ARG CD C 42.271 0.2 1 569 268 64 ARG CG C 26.708 0.2 1 570 268 64 ARG N N 120.911 0.1 1 571 269 65 LEU H H 9.119 0.02 1 572 269 65 LEU HA H 3.916 0.02 1 573 269 65 LEU HB2 H 1.582 0.02 2 574 269 65 LEU HB3 H 1.721 0.02 2 575 269 65 LEU HD1 H 0.811 0.02 1 576 269 65 LEU HD2 H 0.671 0.02 1 577 269 65 LEU HG H 1.630 0.02 1 578 269 65 LEU CA C 57.124 0.2 1 579 269 65 LEU CB C 41.662 0.2 1 580 269 65 LEU CD1 C 23.615 0.2 2 581 269 65 LEU CD2 C 23.587 0.2 2 582 269 65 LEU CG C 26.177 0.2 1 583 269 65 LEU N N 119.046 0.1 1 584 270 66 ALA H H 8.245 0.02 1 585 270 66 ALA HA H 3.997 0.02 1 586 270 66 ALA HB H 1.407 0.02 1 587 270 66 ALA CA C 54.337 0.2 1 588 270 66 ALA CB C 16.696 0.2 1 589 270 66 ALA N N 121.047 0.1 1 590 271 67 GLN H H 7.704 0.02 1 591 271 67 GLN HA H 4.025 0.02 1 592 271 67 GLN HB2 H 2.204 0.02 2 593 271 67 GLN HB3 H 2.240 0.02 2 594 271 67 GLN HE21 H 6.774 0.02 2 595 271 67 GLN HE22 H 7.386 0.02 2 596 271 67 GLN HG2 H 2.339 0.02 2 597 271 67 GLN HG3 H 2.534 0.02 2 598 271 67 GLN CA C 58.418 0.2 1 599 271 67 GLN CB C 27.996 0.2 1 600 271 67 GLN CG C 33.152 0.2 1 601 271 67 GLN N N 118.440 0.1 1 602 271 67 GLN NE2 N 111.533 0.1 1 603 272 68 ILE H H 8.142 0.02 1 604 272 68 ILE HA H 3.723 0.02 1 605 272 68 ILE HB H 1.869 0.02 1 606 272 68 ILE HD1 H 0.584 0.02 1 607 272 68 ILE HG12 H 0.954 0.02 2 608 272 68 ILE HG13 H 1.767 0.02 2 609 272 68 ILE HG2 H 0.792 0.02 1 610 272 68 ILE CA C 64.605 0.2 1 611 272 68 ILE CB C 37.793 0.2 1 612 272 68 ILE CD1 C 13.553 0.2 1 613 272 68 ILE CG1 C 29.027 0.2 1 614 272 68 ILE CG2 C 17.607 0.2 1 615 272 68 ILE N N 119.521 0.1 1 616 273 69 CYS H H 8.817 0.02 1 617 273 69 CYS HA H 3.958 0.02 1 618 273 69 CYS HB2 H 2.790 0.02 2 619 273 69 CYS HB3 H 3.039 0.02 2 620 273 69 CYS CA C 64.204 0.2 1 621 273 69 CYS CB C 26.337 0.2 1 622 273 69 CYS N N 117.234 0.1 1 623 274 70 SER H H 7.880 0.02 1 624 274 70 SER HA H 4.246 0.02 1 625 274 70 SER HB2 H 3.972 0.02 2 626 274 70 SER CA C 60.008 0.2 1 627 274 70 SER CB C 62.071 0.2 1 628 274 70 SER N N 114.227 0.1 1 629 275 71 SER H H 7.609 0.02 1 630 275 71 SER HA H 4.564 0.02 1 631 275 71 SER HB2 H 3.898 0.02 2 632 275 71 SER HB3 H 4.087 0.02 2 633 275 71 SER CA C 57.946 0.2 1 634 275 71 SER CB C 63.618 0.2 1 635 275 71 SER N N 114.958 0.1 1 636 276 72 ILE H H 7.357 0.02 1 637 276 72 ILE HA H 4.169 0.02 1 638 276 72 ILE HB H 1.723 0.02 1 639 276 72 ILE HD1 H 0.731 0.02 1 640 276 72 ILE HG12 H 0.980 0.02 2 641 276 72 ILE HG13 H 1.658 0.02 2 642 276 72 ILE HG2 H 0.854 0.02 1 643 276 72 ILE CA C 60.967 0.2 1 644 276 72 ILE CB C 38.276 0.2 1 645 276 72 ILE CD1 C 14.033 0.2 1 646 276 72 ILE CG1 C 26.904 0.2 1 647 276 72 ILE CG2 C 17.081 0.2 1 648 276 72 ILE N N 123.513 0.1 1 649 277 73 ARG H H 8.508 0.02 1 650 277 73 ARG HA H 4.446 0.02 1 651 277 73 ARG HB2 H 1.723 0.02 2 652 277 73 ARG HB3 H 1.802 0.02 2 653 277 73 ARG HD2 H 3.162 0.02 2 654 277 73 ARG HG2 H 1.545 0.02 2 655 277 73 ARG HG3 H 1.585 0.02 2 656 277 73 ARG CA C 55.324 0.2 1 657 277 73 ARG CB C 30.499 0.2 1 658 277 73 ARG CD C 42.949 0.2 1 659 277 73 ARG CG C 26.449 0.2 1 660 277 73 ARG N N 126.709 0.1 1 661 279 75 HIS HA H 4.602 0.02 1 662 279 75 HIS HB2 H 3.052 0.02 2 663 279 75 HIS HB3 H 3.108 0.02 2 664 279 75 HIS HD2 H 7.018 0.02 1 665 279 75 HIS HE1 H 7.932 0.02 1 666 279 75 HIS CA C 55.840 0.2 1 667 279 75 HIS CB C 30.426 0.2 1 668 280 76 LYS H H 7.978 0.02 1 669 280 76 LYS HA H 4.059 0.02 1 670 280 76 LYS N N 127.504 0.1 1 stop_ save_