data_17805 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; THE HIGH RESOLUTION STRUCTURE OF UBIQUITIN LIKE DOMAIN OF UBLCP1 ; _BMRB_accession_number 17805 _BMRB_flat_file_name bmr17805.str _Entry_type original _Submission_date 2011-07-25 _Accession_date 2011-07-25 _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 Lee Weontae . . 2 Ko Sunggeon . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 463 "13C chemical shifts" 329 "15N chemical shifts" 77 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-08-31 original author . stop_ _Original_release_date 2012-08-31 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'The High Resolution Structure of Ubiquitin Like Dom Ublcp1' _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 Lee N. . . 2 Ko S. . . stop_ _Journal_abbreviation 'To be Published' _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 'single polypeptide chain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'UBIQUITIN-LIKE DOMAIN-CONTAINING CTD PHOSPHATASE 1' $UBIQUITIN-LIKE_DOMAIN-CONTAINING_CTD_PHOSPHATASE_1 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_UBIQUITIN-LIKE_DOMAIN-CONTAINING_CTD_PHOSPHATASE_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common UBIQUITIN-LIKE_DOMAIN-CONTAINING_CTD_PHOSPHATASE_1 _Molecular_mass 8997.747 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 81 _Mol_residue_sequence ; MALPIIVKWGGQEYSVTTLS EDDTVLDLKQFLKTLTGVLP ERQKLLGLKVKGKPAENDVK LGALKLKPNTKIMMMGTREE S ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 LEU 4 PRO 5 ILE 6 ILE 7 VAL 8 LYS 9 TRP 10 GLY 11 GLY 12 GLN 13 GLU 14 TYR 15 SER 16 VAL 17 THR 18 THR 19 LEU 20 SER 21 GLU 22 ASP 23 ASP 24 THR 25 VAL 26 LEU 27 ASP 28 LEU 29 LYS 30 GLN 31 PHE 32 LEU 33 LYS 34 THR 35 LEU 36 THR 37 GLY 38 VAL 39 LEU 40 PRO 41 GLU 42 ARG 43 GLN 44 LYS 45 LEU 46 LEU 47 GLY 48 LEU 49 LYS 50 VAL 51 LYS 52 GLY 53 LYS 54 PRO 55 ALA 56 GLU 57 ASN 58 ASP 59 VAL 60 LYS 61 LEU 62 GLY 63 ALA 64 LEU 65 LYS 66 LEU 67 LYS 68 PRO 69 ASN 70 THR 71 LYS 72 ILE 73 MET 74 MET 75 MET 76 GLY 77 THR 78 ARG 79 GLU 80 GLU 81 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 16899 UBLCP1 100.00 81 98.77 100.00 5.39e-48 BMRB 16908 UBLCP1 100.00 81 100.00 100.00 1.51e-48 BMRB 18844 entity_1 100.00 82 100.00 100.00 1.55e-48 PDB 1V5T "Solution Structure Of The Ubiquitin-Like Domain From Mouse Hypothetical 8430435i17rik Protein" 97.53 90 97.47 97.47 9.12e-46 PDB 2KX3 "The Solution Structure Of The Mutant Of Ubl Domain Of Ublcp1, I5m" 100.00 81 98.77 100.00 5.39e-48 PDB 2LGD "The High Resolution Structure Of Ubiquitin Like Domain Of Ublcp1" 100.00 83 100.00 100.00 1.54e-48 PDB 2M17 "Ubiquitin-like Domain-containing C-terminal Domain Phosphatase (ublcp1)" 100.00 82 100.00 100.00 1.55e-48 DBJ BAB71628 "unnamed protein product [Homo sapiens]" 100.00 318 100.00 100.00 4.34e-46 DBJ BAC31711 "unnamed protein product [Mus musculus]" 100.00 318 100.00 100.00 3.32e-46 DBJ BAC34039 "unnamed protein product [Mus musculus]" 100.00 318 100.00 100.00 3.32e-46 DBJ BAE28110 "unnamed protein product [Mus musculus]" 100.00 318 100.00 100.00 3.32e-46 DBJ BAI46037 "ubiquitin-like domain containing CTD phosphatase 1 [synthetic construct]" 100.00 318 100.00 100.00 3.94e-46 EMBL CAH93392 "hypothetical protein [Pongo abelii]" 100.00 318 100.00 100.00 4.43e-46 GB AAH13425 "Ubiquitin-like domain containing CTD phosphatase 1 [Homo sapiens]" 100.00 318 100.00 100.00 3.94e-46 GB AAH85111 "Ubiquitin-like domain containing CTD phosphatase 1 [Mus musculus]" 100.00 318 100.00 100.00 3.32e-46 GB AAH89210 "Ubiquitin-like domain containing CTD phosphatase 1 [Rattus norvegicus]" 100.00 318 98.77 100.00 1.04e-45 GB AAI05395 "Ubiquitin-like domain containing CTD phosphatase 1 [Bos taurus]" 100.00 318 100.00 100.00 3.94e-46 GB AAI06094 "Ubiquitin-like domain containing CTD phosphatase 1 [Mus musculus]" 100.00 318 100.00 100.00 3.32e-46 REF NP_001014139 "ubiquitin-like domain-containing CTD phosphatase 1 [Rattus norvegicus]" 100.00 318 98.77 100.00 1.04e-45 REF NP_001039459 "ubiquitin-like domain-containing CTD phosphatase 1 [Bos taurus]" 100.00 318 100.00 100.00 3.94e-46 REF NP_001126990 "ubiquitin-like domain-containing CTD phosphatase 1 [Pongo abelii]" 100.00 318 100.00 100.00 4.43e-46 REF NP_001253320 "ubiquitin-like domain-containing CTD phosphatase 1 [Macaca mulatta]" 100.00 318 100.00 100.00 3.94e-46 REF NP_077795 "ubiquitin-like domain-containing CTD phosphatase 1 [Mus musculus]" 100.00 318 100.00 100.00 3.32e-46 SP Q2KJD7 "RecName: Full=Ubiquitin-like domain-containing CTD phosphatase 1; AltName: Full=Nuclear proteasome inhibitor UBLCP1" 100.00 318 100.00 100.00 3.94e-46 SP Q5FWT7 "RecName: Full=Ubiquitin-like domain-containing CTD phosphatase 1; AltName: Full=Nuclear proteasome inhibitor UBLCP1" 100.00 318 98.77 100.00 1.04e-45 SP Q5R4C4 "RecName: Full=Ubiquitin-like domain-containing CTD phosphatase 1; AltName: Full=Nuclear proteasome inhibitor UBLCP1" 100.00 318 100.00 100.00 4.43e-46 SP Q8BGR9 "RecName: Full=Ubiquitin-like domain-containing CTD phosphatase 1; AltName: Full=Nuclear proteasome inhibitor UBLCP1" 100.00 318 100.00 100.00 3.32e-46 SP Q8WVY7 "RecName: Full=Ubiquitin-like domain-containing CTD phosphatase 1; AltName: Full=Nuclear proteasome inhibitor UBLCP1" 100.00 318 100.00 100.00 3.94e-46 TPG DAA27217 "TPA: ubiquitin-like domain-containing CTD phosphatase 1 [Bos taurus]" 100.00 318 100.00 100.00 3.94e-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 _Gene_mnemonic $UBIQUITIN-LIKE_DOMAIN-CONTAINING_CTD_PHOSPHATASE_1 human 9606 Eukaryota Metazoa Homo sapiens UBLCP1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $UBIQUITIN-LIKE_DOMAIN-CONTAINING_CTD_PHOSPHATASE_1 'recombinant technology' . ESCHERICHIA COLI . VECTOR 'PGEX 4T-1' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1.5 MM [U-99% 15N] UBLDOMAIN OF UBLCP1-1, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $UBIQUITIN-LIKE_DOMAIN-CONTAINING_CTD_PHOSPHATASE_1 1.5 mM '[U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '1.5 [U-95% 13C' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $UBIQUITIN-LIKE_DOMAIN-CONTAINING_CTD_PHOSPHATASE_1 1.5 mM '[U-95% 13C]' D2O 100 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details 'U-99% 15N/95% 13C] UBLDOMAI OF UBLCP1-2, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $UBIQUITIN-LIKE_DOMAIN-CONTAINING_CTD_PHOSPHATASE_1 1.5 mM '[U-95% 13C; U-95% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AUTOASSIGN _Saveframe_category software _Name AutoAssign _Version . loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_MOLMOL_NMRDRAW _Saveframe_category software _Name MOLMOL_NMRDRAW _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_NMRPIPE _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_PROCHECKNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.2.5 loop_ _Vendor _Address _Electronic_address 'P.GUNTERT ET AL.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model DRX _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1_15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1 15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 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' 100 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' '3D 1 15N NOESY' stop_ loop_ _Sample_label $sample_1 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'UBIQUITIN-LIKE DOMAIN-CONTAINING CTD PHOSPHATASE 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 1 1 MET H H 8.962 0.020 1 2 1 1 MET HA H 4.412 0.020 1 3 1 1 MET HB2 H 1.930 0.020 2 4 1 1 MET HB3 H 1.930 0.020 2 5 1 1 MET C C 177.599 0.400 1 6 1 1 MET CA C 55.355 0.400 1 7 1 1 MET CB C 33.581 0.400 1 8 1 1 MET N N 120.525 0.400 1 9 2 2 ALA H H 8.410 0.020 1 10 2 2 ALA HA H 4.033 0.020 1 11 2 2 ALA HB H 1.202 0.020 1 12 2 2 ALA C C 176.202 0.400 1 13 2 2 ALA CA C 53.215 0.400 1 14 2 2 ALA CB C 19.376 0.400 1 15 2 2 ALA N N 126.014 0.400 1 16 3 3 LEU H H 8.271 0.020 1 17 3 3 LEU HA H 4.646 0.020 1 18 3 3 LEU HB2 H 1.430 0.020 2 19 3 3 LEU HB3 H 1.048 0.020 2 20 3 3 LEU HG H 1.395 0.020 1 21 3 3 LEU HD1 H 0.622 0.020 2 22 3 3 LEU CA C 51.817 0.400 1 23 3 3 LEU CB C 43.557 0.400 1 24 3 3 LEU CG C 27.410 0.400 1 25 3 3 LEU CD1 C 25.969 0.400 1 26 3 3 LEU N N 123.255 0.400 1 27 4 4 PRO HA H 4.606 0.020 1 28 4 4 PRO HB2 H 2.021 0.020 2 29 4 4 PRO HB3 H 1.886 0.020 2 30 4 4 PRO HG2 H 2.000 0.020 2 31 4 4 PRO HG3 H 1.902 0.020 2 32 4 4 PRO HD2 H 3.516 0.020 2 33 4 4 PRO HD3 H 3.516 0.020 2 34 4 4 PRO C C 179.796 0.400 1 35 4 4 PRO CA C 63.240 0.400 1 36 4 4 PRO CB C 32.070 0.400 1 37 4 4 PRO CG C 28.149 0.400 1 38 4 4 PRO CD C 50.521 0.400 1 39 5 5 ILE H H 8.317 0.020 1 40 5 5 ILE HA H 4.359 0.020 1 41 5 5 ILE HB H 1.555 0.020 1 42 5 5 ILE HG2 H 0.729 0.020 1 43 5 5 ILE HG12 H 1.507 0.020 2 44 5 5 ILE HG13 H 0.878 0.020 2 45 5 5 ILE HD1 H 0.605 0.020 1 46 5 5 ILE C C 179.202 0.400 1 47 5 5 ILE CA C 60.833 0.400 1 48 5 5 ILE CB C 43.943 0.400 1 49 5 5 ILE CG1 C 27.203 0.400 1 50 5 5 ILE CG2 C 18.205 0.400 1 51 5 5 ILE CD1 C 14.599 0.400 1 52 5 5 ILE N N 122.161 0.400 1 53 6 6 ILE H H 8.408 0.020 1 54 6 6 ILE HA H 4.921 0.020 1 55 6 6 ILE HB H 1.545 0.020 1 56 6 6 ILE HG2 H 0.690 0.020 1 57 6 6 ILE HG12 H 1.350 0.020 2 58 6 6 ILE HG13 H 0.976 0.020 2 59 6 6 ILE HD1 H 0.689 0.020 1 60 6 6 ILE C C 178.393 0.400 1 61 6 6 ILE CA C 59.865 0.400 1 62 6 6 ILE CB C 40.264 0.400 1 63 6 6 ILE CG1 C 28.159 0.400 1 64 6 6 ILE CG2 C 18.042 0.400 1 65 6 6 ILE CD1 C 13.314 0.400 1 66 6 6 ILE N N 125.649 0.400 1 67 7 7 VAL H H 9.155 0.020 1 68 7 7 VAL HA H 4.930 0.020 1 69 7 7 VAL HB H 1.861 0.020 1 70 7 7 VAL HG1 H 0.840 0.020 2 71 7 7 VAL C C 178.215 0.400 1 72 7 7 VAL CA C 60.363 0.400 1 73 7 7 VAL CB C 34.759 0.400 1 74 7 7 VAL CG1 C 21.786 0.400 1 75 7 7 VAL N N 125.741 0.400 1 76 8 8 LYS H H 9.174 0.020 1 77 8 8 LYS HA H 5.232 0.020 1 78 8 8 LYS HB2 H 2.006 0.020 2 79 8 8 LYS HB3 H 1.553 0.020 2 80 8 8 LYS HG2 H 1.331 0.020 2 81 8 8 LYS HG3 H 1.286 0.020 2 82 8 8 LYS HD2 H 1.582 0.020 2 83 8 8 LYS HD3 H 1.582 0.020 2 84 8 8 LYS HE2 H 2.856 0.020 2 85 8 8 LYS HE3 H 2.784 0.020 2 86 8 8 LYS C C 178.353 0.400 1 87 8 8 LYS CA C 55.275 0.400 1 88 8 8 LYS CB C 34.935 0.400 1 89 8 8 LYS CG C 25.461 0.400 1 90 8 8 LYS CD C 29.787 0.400 1 91 8 8 LYS N N 128.098 0.400 1 92 9 9 TRP H H 8.844 0.020 1 93 9 9 TRP HA H 5.185 0.020 1 94 9 9 TRP HB2 H 3.237 0.020 2 95 9 9 TRP HB3 H 3.116 0.020 2 96 9 9 TRP HD1 H 6.949 0.020 1 97 9 9 TRP HE1 H 10.238 0.020 1 98 9 9 TRP HE3 H 7.605 0.020 1 99 9 9 TRP HZ2 H 7.662 0.020 1 100 9 9 TRP C C 176.432 0.400 1 101 9 9 TRP CA C 57.734 0.400 1 102 9 9 TRP CB C 31.561 0.400 1 103 9 9 TRP N N 125.952 0.400 1 104 9 9 TRP NE1 N 128.679 0.400 1 105 10 10 GLY H H 8.683 0.020 1 106 10 10 GLY HA2 H 3.309 0.020 2 107 10 10 GLY HA3 H 3.132 0.020 2 108 10 10 GLY CA C 47.101 0.400 1 109 10 10 GLY N N 117.044 0.400 1 110 11 11 GLY H H 8.600 0.020 1 111 11 11 GLY HA2 H 3.863 0.020 2 112 11 11 GLY HA3 H 3.749 0.020 2 113 11 11 GLY C C 179.353 0.400 1 114 11 11 GLY CA C 45.460 0.400 1 115 11 11 GLY N N 109.364 0.400 1 116 12 12 GLN H H 7.865 0.020 1 117 12 12 GLN HA H 4.483 0.020 1 118 12 12 GLN HB2 H 2.124 0.020 2 119 12 12 GLN HB3 H 1.808 0.020 2 120 12 12 GLN HG2 H 2.047 0.020 2 121 12 12 GLN HG3 H 2.047 0.020 2 122 12 12 GLN C C 179.098 0.400 1 123 12 12 GLN CA C 54.502 0.400 1 124 12 12 GLN CB C 32.178 0.400 1 125 12 12 GLN CG C 32.510 0.400 1 126 12 12 GLN N N 119.388 0.400 1 127 13 13 GLU H H 8.172 0.020 1 128 13 13 GLU HA H 4.880 0.020 1 129 13 13 GLU HB2 H 1.648 0.020 2 130 13 13 GLU HB3 H 1.648 0.020 2 131 13 13 GLU HG2 H 2.118 0.020 2 132 13 13 GLU HG3 H 1.801 0.020 2 133 13 13 GLU C C 177.641 0.400 1 134 13 13 GLU CA C 55.655 0.400 1 135 13 13 GLU CB C 32.306 0.400 1 136 13 13 GLU CG C 37.597 0.400 1 137 13 13 GLU N N 119.756 0.400 1 138 14 14 TYR H H 9.381 0.020 1 139 14 14 TYR HA H 4.601 0.020 1 140 14 14 TYR HB2 H 2.791 0.020 2 141 14 14 TYR HB3 H 2.680 0.020 2 142 14 14 TYR HD1 H 7.111 0.020 1 143 14 14 TYR HE1 H 6.955 0.020 1 144 14 14 TYR C C 177.990 0.400 1 145 14 14 TYR CA C 57.246 0.400 1 146 14 14 TYR CB C 40.544 0.400 1 147 14 14 TYR N N 122.812 0.400 1 148 15 15 SER H H 8.802 0.020 1 149 15 15 SER HA H 4.747 0.020 1 150 15 15 SER HB2 H 3.714 0.020 2 151 15 15 SER HB3 H 3.714 0.020 2 152 15 15 SER C C 178.924 0.400 1 153 15 15 SER CA C 58.099 0.400 1 154 15 15 SER CB C 63.394 0.400 1 155 15 15 SER N N 118.339 0.400 1 156 16 16 VAL H H 9.005 0.020 1 157 16 16 VAL HA H 4.205 0.020 1 158 16 16 VAL HB H 2.022 0.020 1 159 16 16 VAL HG1 H 0.737 0.020 2 160 16 16 VAL HG2 H 0.465 0.020 2 161 16 16 VAL CA C 62.344 0.400 1 162 16 16 VAL CB C 32.528 0.400 1 163 16 16 VAL CG1 C 20.319 0.400 1 164 16 16 VAL CG2 C 20.730 0.400 1 165 16 16 VAL N N 128.611 0.400 1 166 17 17 THR H H 8.746 0.020 1 167 17 17 THR HA H 4.533 0.020 1 168 17 17 THR HB H 4.389 0.020 1 169 17 17 THR HG2 H 1.016 0.020 1 170 17 17 THR C C 177.649 0.400 1 171 17 17 THR CA C 62.331 0.400 1 172 17 17 THR CB C 70.040 0.400 1 173 17 17 THR CG2 C 21.863 0.400 1 174 17 17 THR N N 116.170 0.400 1 175 18 18 THR H H 6.812 0.020 1 176 18 18 THR HA H 4.173 0.020 1 177 18 18 THR HB H 4.270 0.020 1 178 18 18 THR HG2 H 1.012 0.020 1 179 18 18 THR C C 178.498 0.400 1 180 18 18 THR CA C 61.772 0.400 1 181 18 18 THR CB C 69.121 0.400 1 182 18 18 THR CG2 C 22.475 0.400 1 183 18 18 THR N N 107.517 0.400 1 184 19 19 LEU H H 8.388 0.020 1 185 19 19 LEU HA H 4.583 0.020 1 186 19 19 LEU HB2 H 1.579 0.020 2 187 19 19 LEU HB3 H 1.273 0.020 2 188 19 19 LEU HG H 1.189 0.020 1 189 19 19 LEU HD1 H 0.569 0.020 2 190 19 19 LEU HD2 H 0.555 0.020 2 191 19 19 LEU C C 177.299 0.400 1 192 19 19 LEU CA C 54.180 0.400 1 193 19 19 LEU CB C 42.711 0.400 1 194 19 19 LEU CG C 27.283 0.400 1 195 19 19 LEU CD1 C 27.131 0.400 1 196 19 19 LEU CD2 C 23.389 0.400 1 197 19 19 LEU N N 123.019 0.400 1 198 20 20 SER H H 9.714 0.020 1 199 20 20 SER HA H 4.863 0.020 1 200 20 20 SER HB2 H 3.793 0.020 2 201 20 20 SER HB3 H 3.624 0.020 2 202 20 20 SER C C 177.249 0.400 1 203 20 20 SER CA C 56.832 0.400 1 204 20 20 SER CB C 67.845 0.400 1 205 20 20 SER N N 117.870 0.400 1 206 21 21 GLU H H 8.491 0.020 1 207 21 21 GLU HA H 3.740 0.020 1 208 21 21 GLU HB2 H 1.940 0.020 2 209 21 21 GLU HB3 H 1.940 0.020 2 210 21 21 GLU HG2 H 2.355 0.020 2 211 21 21 GLU HG3 H 2.046 0.020 2 212 21 21 GLU C C 176.555 0.400 1 213 21 21 GLU CA C 59.134 0.400 1 214 21 21 GLU CB C 30.854 0.400 1 215 21 21 GLU CG C 37.949 0.400 1 216 21 21 GLU N N 116.130 0.400 1 217 22 22 ASP H H 7.936 0.020 1 218 22 22 ASP HA H 4.650 0.020 1 219 22 22 ASP HB2 H 2.713 0.020 2 220 22 22 ASP HB3 H 2.282 0.020 2 221 22 22 ASP C C 176.555 0.400 1 222 22 22 ASP CA C 55.156 0.400 1 223 22 22 ASP CB C 42.579 0.400 1 224 22 22 ASP N N 115.741 0.400 1 225 23 23 ASP H H 7.313 0.020 1 226 23 23 ASP HA H 4.841 0.020 1 227 23 23 ASP HB2 H 2.832 0.020 2 228 23 23 ASP HB3 H 2.832 0.020 2 229 23 23 ASP C C 178.264 0.400 1 230 23 23 ASP CA C 55.223 0.400 1 231 23 23 ASP CB C 42.782 0.400 1 232 23 23 ASP N N 119.945 0.400 1 233 24 24 THR H H 9.630 0.020 1 234 24 24 THR HA H 5.328 0.020 1 235 24 24 THR HB H 4.574 0.020 1 236 24 24 THR HG2 H 1.065 0.020 1 237 24 24 THR C C 176.363 0.400 1 238 24 24 THR CA C 60.989 0.400 1 239 24 24 THR CB C 74.287 0.400 1 240 24 24 THR CG2 C 22.168 0.400 1 241 24 24 THR N N 107.918 0.400 1 242 25 25 VAL H H 8.260 0.020 1 243 25 25 VAL HA H 3.334 0.020 1 244 25 25 VAL HB H 2.268 0.020 1 245 25 25 VAL HG1 H 0.812 0.020 2 246 25 25 VAL HG2 H 0.741 0.020 2 247 25 25 VAL C C 175.092 0.400 1 248 25 25 VAL CA C 67.626 0.400 1 249 25 25 VAL CB C 32.149 0.400 1 250 25 25 VAL CG1 C 24.442 0.400 1 251 25 25 VAL CG2 C 21.711 0.400 1 252 25 25 VAL N N 120.192 0.400 1 253 26 26 LEU H H 8.523 0.020 1 254 26 26 LEU HA H 3.872 0.020 1 255 26 26 LEU HB2 H 1.727 0.020 2 256 26 26 LEU HB3 H 1.208 0.020 2 257 26 26 LEU HG H 1.459 0.020 1 258 26 26 LEU HD1 H 0.779 0.020 2 259 26 26 LEU HD2 H 0.804 0.020 2 260 26 26 LEU C C 174.996 0.400 1 261 26 26 LEU CA C 58.592 0.400 1 262 26 26 LEU CB C 41.716 0.400 1 263 26 26 LEU CG C 27.024 0.400 1 264 26 26 LEU CD1 C 25.810 0.400 1 265 26 26 LEU CD2 C 22.569 0.400 1 266 26 26 LEU N N 119.941 0.400 1 267 27 27 ASP H H 7.581 0.020 1 268 27 27 ASP HA H 4.273 0.020 1 269 27 27 ASP HB2 H 3.127 0.020 2 270 27 27 ASP HB3 H 2.514 0.020 2 271 27 27 ASP CA C 58.663 0.400 1 272 27 27 ASP CB C 40.931 0.400 1 273 27 27 ASP N N 118.322 0.400 1 274 28 28 LEU H H 7.837 0.020 1 275 28 28 LEU HA H 4.083 0.020 1 276 28 28 LEU HB2 H 2.377 0.020 2 277 28 28 LEU HB3 H 1.203 0.020 2 278 28 28 LEU HG H 1.432 0.020 1 279 28 28 LEU HD1 H 0.808 0.020 2 280 28 28 LEU HD2 H 0.682 0.020 2 281 28 28 LEU C C 175.514 0.400 1 282 28 28 LEU CA C 58.772 0.400 1 283 28 28 LEU CB C 41.225 0.400 1 284 28 28 LEU CG C 27.837 0.400 1 285 28 28 LEU CD1 C 23.700 0.400 1 286 28 28 LEU CD2 C 26.705 0.400 1 287 28 28 LEU N N 122.021 0.400 1 288 29 29 LYS H H 8.467 0.020 1 289 29 29 LYS HA H 4.520 0.020 1 290 29 29 LYS HB2 H 1.909 0.020 2 291 29 29 LYS HB3 H 1.358 0.020 2 292 29 29 LYS HG2 H 1.501 0.020 2 293 29 29 LYS HG3 H 1.501 0.020 2 294 29 29 LYS HD2 H 1.578 0.020 2 295 29 29 LYS HD3 H 1.412 0.020 2 296 29 29 LYS HE2 H 2.627 0.020 2 297 29 29 LYS HE3 H 2.565 0.020 2 298 29 29 LYS C C 172.261 0.400 1 299 29 29 LYS CA C 59.787 0.400 1 300 29 29 LYS CB C 34.297 0.400 1 301 29 29 LYS CG C 26.295 0.400 1 302 29 29 LYS CD C 30.301 0.400 1 303 29 29 LYS N N 119.086 0.400 1 304 30 30 GLN H H 9.049 0.020 1 305 30 30 GLN HA H 3.932 0.020 1 306 30 30 GLN HB2 H 2.130 0.020 2 307 30 30 GLN HB3 H 2.049 0.020 2 308 30 30 GLN HG2 H 2.477 0.020 2 309 30 30 GLN HG3 H 2.297 0.020 2 310 30 30 GLN C C 174.240 0.400 1 311 30 30 GLN CA C 59.663 0.400 1 312 30 30 GLN CB C 27.806 0.400 1 313 30 30 GLN CG C 33.829 0.400 1 314 30 30 GLN N N 119.268 0.400 1 315 31 31 PHE H H 8.039 0.020 1 316 31 31 PHE HA H 4.218 0.020 1 317 31 31 PHE HB2 H 3.158 0.020 2 318 31 31 PHE HB3 H 3.158 0.020 2 319 31 31 PHE HD1 H 7.020 0.020 1 320 31 31 PHE C C 173.970 0.400 1 321 31 31 PHE CA C 61.967 0.400 1 322 31 31 PHE CB C 39.374 0.400 1 323 31 31 PHE N N 121.690 0.400 1 324 32 32 LEU H H 8.776 0.020 1 325 32 32 LEU HA H 3.637 0.020 1 326 32 32 LEU HB2 H 2.181 0.020 2 327 32 32 LEU HB3 H 0.745 0.020 2 328 32 32 LEU HG H 1.826 0.020 1 329 32 32 LEU HD1 H 0.754 0.020 2 330 32 32 LEU HD2 H 0.545 0.020 2 331 32 32 LEU C C 172.367 0.400 1 332 32 32 LEU CA C 57.708 0.400 1 333 32 32 LEU CB C 41.270 0.400 1 334 32 32 LEU CG C 27.568 0.400 1 335 32 32 LEU CD1 C 26.420 0.400 1 336 32 32 LEU CD2 C 22.100 0.400 1 337 32 32 LEU N N 118.232 0.400 1 338 33 33 LYS H H 8.237 0.020 1 339 33 33 LYS HA H 3.802 0.020 1 340 33 33 LYS HB2 H 2.010 0.020 2 341 33 33 LYS HB3 H 1.675 0.020 2 342 33 33 LYS HG2 H 1.203 0.020 2 343 33 33 LYS HG3 H 0.983 0.020 2 344 33 33 LYS HD2 H 1.497 0.020 2 345 33 33 LYS HD3 H 1.373 0.020 2 346 33 33 LYS HE2 H 2.735 0.020 2 347 33 33 LYS C C 173.820 0.400 1 348 33 33 LYS CA C 60.116 0.400 1 349 33 33 LYS CB C 31.701 0.400 1 350 33 33 LYS CG C 24.887 0.400 1 351 33 33 LYS CD C 29.513 0.400 1 352 33 33 LYS N N 125.920 0.400 1 353 34 34 THR H H 7.281 0.020 1 354 34 34 THR HA H 3.773 0.020 1 355 34 34 THR HB H 4.027 0.020 1 356 34 34 THR HG2 H 1.101 0.020 1 357 34 34 THR C C 177.649 0.400 1 358 34 34 THR CA C 65.749 0.400 1 359 34 34 THR CB C 68.620 0.400 1 360 34 34 THR CG2 C 22.068 0.400 1 361 34 34 THR N N 114.544 0.400 1 362 35 35 LEU H H 6.752 0.020 1 363 35 35 LEU HA H 4.018 0.020 1 364 35 35 LEU HB2 H 1.118 0.020 2 365 35 35 LEU HB3 H 1.045 0.020 2 366 35 35 LEU HG H 1.172 0.020 1 367 35 35 LEU HD1 H 0.614 0.020 2 368 35 35 LEU HD2 H 0.620 0.020 2 369 35 35 LEU C C 175.105 0.400 1 370 35 35 LEU CA C 57.015 0.400 1 371 35 35 LEU CB C 44.003 0.400 1 372 35 35 LEU CG C 26.566 0.400 1 373 35 35 LEU CD1 C 25.790 0.400 1 374 35 35 LEU CD2 C 22.495 0.400 1 375 35 35 LEU N N 117.590 0.400 1 376 36 36 THR H H 7.675 0.020 1 377 36 36 THR HA H 3.967 0.020 1 378 36 36 THR HB H 2.435 0.020 1 379 36 36 THR HG2 H 0.126 0.020 1 380 36 36 THR C C 178.094 0.400 1 381 36 36 THR CA C 62.756 0.400 1 382 36 36 THR CB C 72.343 0.400 1 383 36 36 THR CG2 C 20.417 0.400 1 384 36 36 THR N N 104.865 0.400 1 385 37 37 GLY H H 7.971 0.020 1 386 37 37 GLY HA2 H 4.039 0.020 2 387 37 37 GLY HA3 H 3.532 0.020 2 388 37 37 GLY C C 179.368 0.400 1 389 37 37 GLY CA C 45.559 0.400 1 390 37 37 GLY N N 109.795 0.400 1 391 38 38 VAL H H 7.533 0.020 1 392 38 38 VAL HA H 3.638 0.020 1 393 38 38 VAL HB H 1.175 0.020 1 394 38 38 VAL HG1 H 0.598 0.020 2 395 38 38 VAL HG2 H 0.041 0.020 2 396 38 38 VAL C C 177.289 0.400 1 397 38 38 VAL CA C 62.437 0.400 1 398 38 38 VAL CB C 31.390 0.400 1 399 38 38 VAL CG1 C 22.264 0.400 1 400 38 38 VAL CG2 C 22.061 0.400 1 401 38 38 VAL N N 122.557 0.400 1 402 39 39 LEU H H 8.634 0.020 1 403 39 39 LEU HA H 3.994 0.020 1 404 39 39 LEU HB2 H 1.588 0.020 2 405 39 39 LEU HB3 H 1.322 0.020 2 406 39 39 LEU HG H 1.748 0.020 1 407 39 39 LEU HD1 H 0.844 0.020 2 408 39 39 LEU HD2 H 0.800 0.020 2 409 39 39 LEU CA C 54.437 0.400 1 410 39 39 LEU CB C 40.557 0.400 1 411 39 39 LEU CG C 27.462 0.400 1 412 39 39 LEU CD1 C 25.515 0.400 1 413 39 39 LEU CD2 C 22.806 0.400 1 414 39 39 LEU N N 127.828 0.400 1 415 40 40 PRO HA H 3.839 0.020 1 416 40 40 PRO HB2 H 1.863 0.020 2 417 40 40 PRO HB3 H 1.863 0.020 2 418 40 40 PRO HG2 H 2.155 0.020 2 419 40 40 PRO HG3 H 1.500 0.020 2 420 40 40 PRO HD2 H 3.519 0.020 2 421 40 40 PRO HD3 H 3.519 0.020 2 422 40 40 PRO C C 174.857 0.400 1 423 40 40 PRO CA C 66.989 0.400 1 424 40 40 PRO CB C 32.322 0.400 1 425 40 40 PRO CG C 27.880 0.400 1 426 40 40 PRO CD C 50.532 0.400 1 427 41 41 GLU H H 9.746 0.020 1 428 41 41 GLU HA H 4.071 0.020 1 429 41 41 GLU HB2 H 1.967 0.020 2 430 41 41 GLU HB3 H 1.967 0.020 2 431 41 41 GLU HG2 H 2.205 0.020 2 432 41 41 GLU HG3 H 2.205 0.020 2 433 41 41 GLU C C 176.350 0.400 1 434 41 41 GLU CA C 58.938 0.400 1 435 41 41 GLU CB C 28.824 0.400 1 436 41 41 GLU CG C 36.788 0.400 1 437 41 41 GLU N N 114.752 0.400 1 438 42 42 ARG H H 7.938 0.020 1 439 42 42 ARG HA H 4.315 0.020 1 440 42 42 ARG HB2 H 2.132 0.020 2 441 42 42 ARG HB3 H 1.731 0.020 2 442 42 42 ARG HG2 H 1.620 0.020 2 443 42 42 ARG HG3 H 1.433 0.020 2 444 42 42 ARG HD2 H 3.192 0.020 2 445 42 42 ARG HD3 H 3.192 0.020 2 446 42 42 ARG C C 177.731 0.400 1 447 42 42 ARG CA C 55.448 0.400 1 448 42 42 ARG CB C 31.105 0.400 1 449 42 42 ARG CG C 28.081 0.400 1 450 42 42 ARG N N 118.145 0.400 1 451 43 43 GLN H H 7.034 0.020 1 452 43 43 GLN HA H 4.251 0.020 1 453 43 43 GLN HB2 H 1.642 0.020 2 454 43 43 GLN HB3 H 1.642 0.020 2 455 43 43 GLN HG2 H 2.260 0.020 2 456 43 43 GLN HG3 H 1.846 0.020 2 457 43 43 GLN C C 176.186 0.400 1 458 43 43 GLN CA C 56.537 0.400 1 459 43 43 GLN CB C 30.992 0.400 1 460 43 43 GLN CG C 33.714 0.400 1 461 43 43 GLN N N 118.250 0.400 1 462 44 44 LYS H H 8.806 0.020 1 463 44 44 LYS HA H 4.464 0.020 1 464 44 44 LYS HB2 H 1.672 0.020 2 465 44 44 LYS HB3 H 1.672 0.020 2 466 44 44 LYS HG2 H 1.351 0.020 2 467 44 44 LYS HG3 H 1.205 0.020 2 468 44 44 LYS HD2 H 1.626 0.020 2 469 44 44 LYS HD3 H 1.626 0.020 2 470 44 44 LYS HE2 H 2.868 0.020 2 471 44 44 LYS C C 178.040 0.400 1 472 44 44 LYS CA C 55.552 0.400 1 473 44 44 LYS CB C 34.325 0.400 1 474 44 44 LYS CG C 25.132 0.400 1 475 44 44 LYS CD C 29.805 0.400 1 476 44 44 LYS N N 122.693 0.400 1 477 45 45 LEU H H 8.704 0.020 1 478 45 45 LEU HA H 4.943 0.020 1 479 45 45 LEU HB2 H 1.810 0.020 2 480 45 45 LEU HB3 H 1.040 0.020 2 481 45 45 LEU HG H 1.444 0.020 1 482 45 45 LEU HD1 H 0.743 0.020 2 483 45 45 LEU HD2 H 0.655 0.020 2 484 45 45 LEU C C 176.506 0.400 1 485 45 45 LEU CA C 53.542 0.400 1 486 45 45 LEU CB C 41.821 0.400 1 487 45 45 LEU CD1 C 26.893 0.400 1 488 45 45 LEU CD2 C 23.357 0.400 1 489 45 45 LEU N N 124.806 0.400 1 490 46 46 LEU H H 8.751 0.020 1 491 46 46 LEU HA H 4.358 0.020 1 492 46 46 LEU HB2 H 1.710 0.020 2 493 46 46 LEU HB3 H 1.552 0.020 2 494 46 46 LEU HG H 1.573 0.020 1 495 46 46 LEU HD1 H 0.859 0.020 2 496 46 46 LEU HD2 H 0.791 0.020 2 497 46 46 LEU C C 175.289 0.400 1 498 46 46 LEU CA C 55.759 0.400 1 499 46 46 LEU CB C 42.526 0.400 1 500 46 46 LEU CG C 27.850 0.400 1 501 46 46 LEU CD1 C 25.437 0.400 1 502 46 46 LEU CD2 C 23.705 0.400 1 503 46 46 LEU N N 124.709 0.400 1 504 47 47 GLY H H 8.300 0.020 1 505 47 47 GLY HA2 H 4.167 0.020 2 506 47 47 GLY HA3 H 3.651 0.020 2 507 47 47 GLY C C 179.057 0.400 1 508 47 47 GLY CA C 45.560 0.400 1 509 47 47 GLY N N 109.276 0.400 1 510 48 48 LEU H H 7.581 0.020 1 511 48 48 LEU HA H 4.590 0.020 1 512 48 48 LEU HB2 H 1.791 0.020 2 513 48 48 LEU HB3 H 1.222 0.020 2 514 48 48 LEU HG H 1.424 0.020 1 515 48 48 LEU HD1 H 0.731 0.020 2 516 48 48 LEU HD2 H 0.743 0.020 2 517 48 48 LEU C C 177.598 0.400 1 518 48 48 LEU CA C 53.945 0.400 1 519 48 48 LEU CB C 41.414 0.400 1 520 48 48 LEU CG C 26.780 0.400 1 521 48 48 LEU CD1 C 26.385 0.400 1 522 48 48 LEU CD2 C 24.095 0.400 1 523 48 48 LEU N N 119.707 0.400 1 524 49 49 LYS H H 8.606 0.020 1 525 49 49 LYS HA H 4.852 0.020 1 526 49 49 LYS HB2 H 1.543 0.020 2 527 49 49 LYS HB3 H 1.318 0.020 2 528 49 49 LYS HG2 H 1.117 0.020 2 529 49 49 LYS HG3 H 0.929 0.020 2 530 49 49 LYS HD2 H 1.373 0.020 2 531 49 49 LYS HD3 H 1.373 0.020 2 532 49 49 LYS HE2 H 2.761 0.020 2 533 49 49 LYS C C 178.059 0.400 1 534 49 49 LYS CA C 55.663 0.400 1 535 49 49 LYS CB C 37.581 0.400 1 536 49 49 LYS CG C 25.451 0.400 1 537 49 49 LYS CD C 29.855 0.400 1 538 49 49 LYS N N 124.527 0.400 1 539 50 50 VAL H H 8.799 0.020 1 540 50 50 VAL HA H 4.113 0.020 1 541 50 50 VAL HB H 1.882 0.020 1 542 50 50 VAL HG2 H 0.862 0.020 2 543 50 50 VAL CA C 61.865 0.400 1 544 50 50 VAL CB C 34.734 0.400 1 545 50 50 VAL CG2 C 21.316 0.400 1 546 50 50 VAL N N 119.184 0.400 1 547 51 51 LYS H H 9.451 0.020 1 548 51 51 LYS HA H 3.824 0.020 1 549 51 51 LYS HB2 H 1.932 0.020 2 550 51 51 LYS HB3 H 1.748 0.020 2 551 51 51 LYS HG2 H 1.373 0.020 2 552 51 51 LYS HG3 H 1.373 0.020 2 553 51 51 LYS HD2 H 1.642 0.020 2 554 51 51 LYS HD3 H 1.642 0.020 2 555 51 51 LYS HE2 H 2.907 0.020 2 556 51 51 LYS C C 176.418 0.400 1 557 51 51 LYS CA C 57.407 0.400 1 558 51 51 LYS CB C 30.655 0.400 1 559 51 51 LYS CG C 25.703 0.400 1 560 51 51 LYS CD C 29.363 0.400 1 561 51 51 LYS N N 127.069 0.400 1 562 52 52 GLY H H 8.512 0.020 1 563 52 52 GLY HA2 H 4.096 0.020 2 564 52 52 GLY HA3 H 3.498 0.020 2 565 52 52 GLY C C 179.392 0.400 1 566 52 52 GLY CA C 45.810 0.400 1 567 52 52 GLY N N 102.671 0.400 1 568 53 53 LYS H H 7.781 0.020 1 569 53 53 LYS HA H 4.829 0.020 1 570 53 53 LYS HB2 H 1.808 0.020 2 571 53 53 LYS HB3 H 1.654 0.020 2 572 53 53 LYS HG2 H 1.415 0.020 2 573 53 53 LYS HG3 H 1.364 0.020 2 574 53 53 LYS HD2 H 1.643 0.020 2 575 53 53 LYS HD3 H 1.643 0.020 2 576 53 53 LYS HE2 H 2.944 0.020 2 577 53 53 LYS CA C 53.616 0.400 1 578 53 53 LYS CB C 33.940 0.400 1 579 53 53 LYS CG C 24.975 0.400 1 580 53 53 LYS CD C 29.251 0.400 1 581 53 53 LYS N N 121.307 0.400 1 582 54 54 PRO HA H 4.376 0.020 1 583 54 54 PRO HB2 H 2.329 0.020 2 584 54 54 PRO HB3 H 1.799 0.020 2 585 54 54 PRO HG2 H 2.111 0.020 2 586 54 54 PRO HG3 H 1.911 0.020 2 587 54 54 PRO HD2 H 3.831 0.020 2 588 54 54 PRO HD3 H 3.540 0.020 2 589 54 54 PRO C C 175.954 0.400 1 590 54 54 PRO CA C 63.817 0.400 1 591 54 54 PRO CB C 32.151 0.400 1 592 54 54 PRO CG C 28.450 0.400 1 593 54 54 PRO CD C 50.874 0.400 1 594 55 55 ALA H H 8.114 0.020 1 595 55 55 ALA HA H 4.138 0.020 1 596 55 55 ALA HB H 1.107 0.020 1 597 55 55 ALA C C 175.977 0.400 1 598 55 55 ALA CA C 52.664 0.400 1 599 55 55 ALA CB C 20.044 0.400 1 600 55 55 ALA N N 125.654 0.400 1 601 56 56 GLU H H 8.179 0.020 1 602 56 56 GLU HA H 4.215 0.020 1 603 56 56 GLU HB2 H 2.264 0.020 2 604 56 56 GLU HB3 H 1.911 0.020 2 605 56 56 GLU HG2 H 2.372 0.020 2 606 56 56 GLU HG3 H 2.288 0.020 2 607 56 56 GLU C C 176.924 0.400 1 608 56 56 GLU CA C 56.089 0.400 1 609 56 56 GLU CB C 31.086 0.400 1 610 56 56 GLU CG C 36.809 0.400 1 611 56 56 GLU N N 122.313 0.400 1 612 57 57 ASN H H 8.504 0.020 1 613 57 57 ASN HA H 4.229 0.020 1 614 57 57 ASN HB2 H 2.792 0.020 2 615 57 57 ASN HB3 H 2.631 0.020 2 616 57 57 ASN C C 177.457 0.400 1 617 57 57 ASN CA C 55.199 0.400 1 618 57 57 ASN CB C 39.227 0.400 1 619 57 57 ASN N N 115.140 0.400 1 620 58 58 ASP H H 8.198 0.020 1 621 58 58 ASP HA H 4.488 0.020 1 622 58 58 ASP HB2 H 2.741 0.020 2 623 58 58 ASP HB3 H 2.522 0.020 2 624 58 58 ASP C C 177.255 0.400 1 625 58 58 ASP CA C 53.608 0.400 1 626 58 58 ASP CB C 40.304 0.400 1 627 58 58 ASP N N 112.832 0.400 1 628 59 59 VAL H H 7.353 0.020 1 629 59 59 VAL HA H 3.593 0.020 1 630 59 59 VAL HB H 2.024 0.020 1 631 59 59 VAL HG1 H 0.975 0.020 2 632 59 59 VAL HG2 H 0.866 0.020 2 633 59 59 VAL C C 177.321 0.400 1 634 59 59 VAL CA C 63.840 0.400 1 635 59 59 VAL CB C 32.322 0.400 1 636 59 59 VAL CG1 C 24.794 0.400 1 637 59 59 VAL CG2 C 21.657 0.400 1 638 59 59 VAL N N 122.073 0.400 1 639 60 60 LYS H H 8.339 0.020 1 640 60 60 LYS HA H 4.447 0.020 1 641 60 60 LYS HB2 H 2.066 0.020 2 642 60 60 LYS HB3 H 1.694 0.020 2 643 60 60 LYS HG2 H 1.540 0.020 2 644 60 60 LYS HG3 H 1.317 0.020 2 645 60 60 LYS HD2 H 1.626 0.020 2 646 60 60 LYS HD3 H 1.626 0.020 2 647 60 60 LYS HE2 H 2.962 0.020 2 648 60 60 LYS C C 174.649 0.400 1 649 60 60 LYS CA C 56.185 0.400 1 650 60 60 LYS CB C 33.105 0.400 1 651 60 60 LYS CG C 26.283 0.400 1 652 60 60 LYS CD C 29.890 0.400 1 653 60 60 LYS N N 125.064 0.400 1 654 61 61 LEU H H 9.423 0.020 1 655 61 61 LEU HA H 3.776 0.020 1 656 61 61 LEU HB2 H 1.754 0.020 2 657 61 61 LEU HB3 H 1.044 0.020 2 658 61 61 LEU HG H 1.392 0.020 1 659 61 61 LEU HD1 H 0.683 0.020 2 660 61 61 LEU HD2 H 0.509 0.020 2 661 61 61 LEU C C 171.906 0.400 1 662 61 61 LEU CA C 57.987 0.400 1 663 61 61 LEU CB C 40.832 0.400 1 664 61 61 LEU CG C 27.807 0.400 1 665 61 61 LEU CD1 C 26.090 0.400 1 666 61 61 LEU CD2 C 22.557 0.400 1 667 61 61 LEU N N 121.612 0.400 1 668 62 62 GLY H H 9.107 0.020 1 669 62 62 GLY HA2 H 3.994 0.020 2 670 62 62 GLY HA3 H 3.865 0.020 2 671 62 62 GLY C C 177.869 0.400 1 672 62 62 GLY CA C 46.772 0.400 1 673 62 62 GLY N N 104.008 0.400 1 674 63 63 ALA H H 7.755 0.020 1 675 63 63 ALA HA H 4.273 0.020 1 676 63 63 ALA HB H 1.471 0.020 1 677 63 63 ALA C C 174.499 0.400 1 678 63 63 ALA CA C 53.421 0.400 1 679 63 63 ALA CB C 18.816 0.400 1 680 63 63 ALA N N 122.025 0.400 1 681 64 64 LEU H H 7.214 0.020 1 682 64 64 LEU HA H 4.068 0.020 1 683 64 64 LEU HB2 H 1.492 0.020 2 684 64 64 LEU HB3 H 1.862 0.020 2 685 64 64 LEU HG H 1.646 0.020 1 686 64 64 LEU HD1 H 0.744 0.020 2 687 64 64 LEU HD2 H 0.594 0.020 2 688 64 64 LEU C C 177.197 0.400 1 689 64 64 LEU CA C 55.567 0.400 1 690 64 64 LEU CB C 42.136 0.400 1 691 64 64 LEU CG C 26.740 0.400 1 692 64 64 LEU CD1 C 27.496 0.400 1 693 64 64 LEU CD2 C 23.924 0.400 1 694 64 64 LEU N N 115.454 0.400 1 695 65 65 LYS H H 7.642 0.020 1 696 65 65 LYS HA H 3.838 0.020 1 697 65 65 LYS HB2 H 1.917 0.020 2 698 65 65 LYS HB3 H 1.745 0.020 2 699 65 65 LYS HG2 H 1.320 0.020 2 700 65 65 LYS HG3 H 1.248 0.020 2 701 65 65 LYS HD2 H 1.637 0.020 2 702 65 65 LYS HD3 H 1.596 0.020 2 703 65 65 LYS HE2 H 2.927 0.020 2 704 65 65 LYS C C 177.061 0.400 1 705 65 65 LYS CA C 56.737 0.400 1 706 65 65 LYS CB C 29.307 0.400 1 707 65 65 LYS CG C 25.112 0.400 1 708 65 65 LYS CD C 29.560 0.400 1 709 65 65 LYS N N 114.830 0.400 1 710 66 66 LEU H H 8.516 0.020 1 711 66 66 LEU HA H 4.163 0.020 1 712 66 66 LEU HB2 H 1.580 0.020 2 713 66 66 LEU HB3 H 1.229 0.020 2 714 66 66 LEU HG H 1.517 0.020 1 715 66 66 LEU HD1 H 0.729 0.020 2 716 66 66 LEU HD2 H 0.748 0.020 2 717 66 66 LEU C C 175.393 0.400 1 718 66 66 LEU CA C 54.847 0.400 1 719 66 66 LEU CB C 42.712 0.400 1 720 66 66 LEU CG C 26.925 0.400 1 721 66 66 LEU CD1 C 25.611 0.400 1 722 66 66 LEU CD2 C 23.347 0.400 1 723 66 66 LEU N N 119.305 0.400 1 724 67 67 LYS H H 7.955 0.020 1 725 67 67 LYS HA H 4.497 0.020 1 726 67 67 LYS HB2 H 1.720 0.020 2 727 67 67 LYS HB3 H 1.537 0.020 2 728 67 67 LYS HG2 H 1.522 0.020 2 729 67 67 LYS HG3 H 1.426 0.020 2 730 67 67 LYS HE2 H 2.936 0.020 2 731 67 67 LYS CA C 54.152 0.400 1 732 67 67 LYS CB C 31.999 0.400 1 733 67 67 LYS CG C 25.343 0.400 1 734 67 67 LYS N N 121.480 0.400 1 735 68 68 PRO HA H 4.169 0.020 1 736 68 68 PRO HB2 H 2.184 0.020 2 737 68 68 PRO HB3 H 1.796 0.020 2 738 68 68 PRO HG2 H 2.075 0.020 2 739 68 68 PRO HG3 H 1.956 0.020 2 740 68 68 PRO HD2 H 3.774 0.020 2 741 68 68 PRO HD3 H 3.544 0.020 2 742 68 68 PRO C C 176.609 0.400 1 743 68 68 PRO CA C 64.389 0.400 1 744 68 68 PRO CB C 32.214 0.400 1 745 68 68 PRO CG C 28.240 0.400 1 746 68 68 PRO CD C 50.767 0.400 1 747 69 69 ASN H H 8.966 0.020 1 748 69 69 ASN HA H 3.962 0.020 1 749 69 69 ASN HB2 H 2.869 0.020 2 750 69 69 ASN HB3 H 2.791 0.020 2 751 69 69 ASN C C 178.824 0.400 1 752 69 69 ASN CA C 55.021 0.400 1 753 69 69 ASN CB C 37.047 0.400 1 754 69 69 ASN N N 115.414 0.400 1 755 70 70 THR H H 7.712 0.020 1 756 70 70 THR HA H 3.949 0.020 1 757 70 70 THR HB H 3.988 0.020 1 758 70 70 THR HG2 H 1.141 0.020 1 759 70 70 THR C C 180.592 0.400 1 760 70 70 THR CA C 65.247 0.400 1 761 70 70 THR CB C 70.132 0.400 1 762 70 70 THR CG2 C 21.760 0.400 1 763 70 70 THR N N 115.426 0.400 1 764 71 71 LYS H H 8.284 0.020 1 765 71 71 LYS HA H 5.179 0.020 1 766 71 71 LYS HB2 H 1.670 0.020 2 767 71 71 LYS HB3 H 1.398 0.020 2 768 71 71 LYS HG2 H 1.358 0.020 2 769 71 71 LYS HG3 H 1.080 0.020 2 770 71 71 LYS HD2 H 1.514 0.020 2 771 71 71 LYS HD3 H 1.450 0.020 2 772 71 71 LYS HE2 H 2.744 0.020 2 773 71 71 LYS C C 177.157 0.400 1 774 71 71 LYS CA C 55.340 0.400 1 775 71 71 LYS CB C 33.729 0.400 1 776 71 71 LYS CG C 25.792 0.400 1 777 71 71 LYS CD C 30.205 0.400 1 778 71 71 LYS N N 124.603 0.400 1 779 72 72 ILE H H 9.142 0.020 1 780 72 72 ILE HA H 4.511 0.020 1 781 72 72 ILE HB H 1.957 0.020 1 782 72 72 ILE HG2 H 0.780 0.020 1 783 72 72 ILE HG12 H 1.325 0.020 2 784 72 72 ILE HG13 H 1.060 0.020 2 785 72 72 ILE HD1 H 0.699 0.020 1 786 72 72 ILE C C 178.360 0.400 1 787 72 72 ILE CA C 59.636 0.400 1 788 72 72 ILE CB C 40.827 0.400 1 789 72 72 ILE CG1 C 27.209 0.400 1 790 72 72 ILE CG2 C 17.952 0.400 1 791 72 72 ILE CD1 C 14.373 0.400 1 792 72 72 ILE N N 123.505 0.400 1 793 73 73 MET H H 8.556 0.020 1 794 73 73 MET HA H 5.122 0.020 1 795 73 73 MET HB2 H 2.009 0.020 2 796 73 73 MET HB3 H 2.009 0.020 2 797 73 73 MET HG2 H 2.584 0.020 2 798 73 73 MET HG3 H 2.487 0.020 2 799 73 73 MET C C 179.095 0.400 1 800 73 73 MET CA C 54.949 0.400 1 801 73 73 MET CB C 35.143 0.400 1 802 73 73 MET CG C 32.963 0.400 1 803 73 73 MET N N 123.090 0.400 1 804 74 74 MET H H 8.924 0.020 1 805 74 74 MET HA H 5.288 0.020 1 806 74 74 MET HB2 H 1.908 0.020 2 807 74 74 MET HB3 H 1.532 0.020 2 808 74 74 MET HG2 H 2.260 0.020 2 809 74 74 MET HG3 H 2.087 0.020 2 810 74 74 MET C C 178.476 0.400 1 811 74 74 MET CA C 54.862 0.400 1 812 74 74 MET CB C 36.294 0.400 1 813 74 74 MET CG C 33.265 0.400 1 814 74 74 MET N N 124.481 0.400 1 815 75 75 MET H H 9.112 0.020 1 816 75 75 MET HA H 5.093 0.020 1 817 75 75 MET HB2 H 2.180 0.020 2 818 75 75 MET HB3 H 1.934 0.020 2 819 75 75 MET HG2 H 2.583 0.020 2 820 75 75 MET HG3 H 2.512 0.020 2 821 75 75 MET C C 177.842 0.400 1 822 75 75 MET CA C 54.265 0.400 1 823 75 75 MET CB C 35.566 0.400 1 824 75 75 MET CG C 32.629 0.400 1 825 75 75 MET N N 123.963 0.400 1 826 76 76 GLY H H 8.711 0.020 1 827 76 76 GLY HA2 H 4.233 0.020 2 828 76 76 GLY HA3 H 4.233 0.020 2 829 76 76 GLY C C 180.165 0.400 1 830 76 76 GLY CA C 45.901 0.400 1 831 76 76 GLY N N 109.773 0.400 1 832 77 77 THR H H 8.280 0.020 1 833 77 77 THR HA H 4.787 0.020 1 834 77 77 THR HB H 4.207 0.020 1 835 77 77 THR HG2 H 1.207 0.020 1 836 77 77 THR C C 178.955 0.400 1 837 77 77 THR CA C 60.728 0.400 1 838 77 77 THR CB C 71.481 0.400 1 839 77 77 THR CG2 C 22.167 0.400 1 840 77 77 THR N N 113.345 0.400 1 841 78 78 ARG H H 8.852 0.020 1 842 78 78 ARG HA H 4.148 0.020 1 843 78 78 ARG HB2 H 1.864 0.020 2 844 78 78 ARG HB3 H 1.755 0.020 2 845 78 78 ARG HG2 H 1.629 0.020 2 846 78 78 ARG HG3 H 1.555 0.020 2 847 78 78 ARG HD2 H 3.263 0.020 2 848 78 78 ARG HD3 H 3.263 0.020 2 849 78 78 ARG C C 177.011 0.400 1 850 78 78 ARG CA C 56.881 0.400 1 851 78 78 ARG CB C 31.607 0.400 1 852 78 78 ARG CG C 27.820 0.400 1 853 78 78 ARG N N 122.844 0.400 1 854 79 79 GLU H H 8.300 0.020 1 855 79 79 GLU HA H 4.206 0.020 1 856 79 79 GLU HB2 H 2.027 0.020 2 857 79 79 GLU HB3 H 1.869 0.020 2 858 79 79 GLU HG2 H 2.209 0.020 2 859 79 79 GLU HG3 H 2.209 0.020 2 860 79 79 GLU C C 176.784 0.400 1 861 79 79 GLU CA C 57.007 0.400 1 862 79 79 GLU CB C 30.764 0.400 1 863 79 79 GLU CG C 30.878 0.400 1 864 79 79 GLU N N 122.181 0.400 1 865 80 80 GLU H H 8.015 0.020 1 866 80 80 GLU HA H 4.049 0.020 1 867 80 80 GLU CA C 58.328 0.400 1 868 80 80 GLU CB C 31.287 0.400 1 869 80 80 GLU N N 126.965 0.400 1 stop_ save_