data_16365 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of yeast protein YOR252W [residues 38-178]: Northeast Structural Genomics Consortium target YT654 ; _BMRB_accession_number 16365 _BMRB_flat_file_name bmr16365.str _Entry_type original _Submission_date 2009-06-26 _Accession_date 2009-06-26 _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 Cort John R. . 2 Yee Adelinda . . 3 Liu Chengsong . . 4 Arrowsmith Cheryl H. . 5 Kennedy Michael A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 641 "13C chemical shifts" 514 "15N chemical shifts" 133 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-08-03 original author . stop_ _Original_release_date 2012-08-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution NMR structure of yeast protein YOR252W' _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 Cort John R. . 2 Yee Adelinda . . 3 Liu Chengsong . . 4 Arrowsmith Cheryl H. . 5 Kennedy Michael A. . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name YOR252W _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label YOR252W $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common YOR252W _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'translation machinery-associated protein 16' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 141 _Mol_residue_sequence ; MREDKIAAKKKLHQDKRVHE LARVKFMQDVVNSDTFKGQP IFDHAHTREFIQSFIERDDT ELDELKKKRRSNRPPSNRQV LLQQRRDQELKEFKAGFLCP DLSDAKNMEFLRNWNGTFGL LNTLRLIRINDKGEQVVGGN E ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ARG 3 GLU 4 ASP 5 LYS 6 ILE 7 ALA 8 ALA 9 LYS 10 LYS 11 LYS 12 LEU 13 HIS 14 GLN 15 ASP 16 LYS 17 ARG 18 VAL 19 HIS 20 GLU 21 LEU 22 ALA 23 ARG 24 VAL 25 LYS 26 PHE 27 MET 28 GLN 29 ASP 30 VAL 31 VAL 32 ASN 33 SER 34 ASP 35 THR 36 PHE 37 LYS 38 GLY 39 GLN 40 PRO 41 ILE 42 PHE 43 ASP 44 HIS 45 ALA 46 HIS 47 THR 48 ARG 49 GLU 50 PHE 51 ILE 52 GLN 53 SER 54 PHE 55 ILE 56 GLU 57 ARG 58 ASP 59 ASP 60 THR 61 GLU 62 LEU 63 ASP 64 GLU 65 LEU 66 LYS 67 LYS 68 LYS 69 ARG 70 ARG 71 SER 72 ASN 73 ARG 74 PRO 75 PRO 76 SER 77 ASN 78 ARG 79 GLN 80 VAL 81 LEU 82 LEU 83 GLN 84 GLN 85 ARG 86 ARG 87 ASP 88 GLN 89 GLU 90 LEU 91 LYS 92 GLU 93 PHE 94 LYS 95 ALA 96 GLY 97 PHE 98 LEU 99 CYS 100 PRO 101 ASP 102 LEU 103 SER 104 ASP 105 ALA 106 LYS 107 ASN 108 MET 109 GLU 110 PHE 111 LEU 112 ARG 113 ASN 114 TRP 115 ASN 116 GLY 117 THR 118 PHE 119 GLY 120 LEU 121 LEU 122 ASN 123 THR 124 LEU 125 ARG 126 LEU 127 ILE 128 ARG 129 ILE 130 ASN 131 ASP 132 LYS 133 GLY 134 GLU 135 GLN 136 VAL 137 VAL 138 GLY 139 GLY 140 ASN 141 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2KKM "Solution Nmr Structure Of Yeast Protein Yor252w [residues 38-178]: Northeast Structural Genomics Consortium Target Yt654" 100.00 144 100.00 100.00 3.38e-97 DBJ GAA26563 "K7_Tma16p [Saccharomyces cerevisiae Kyokai no. 7]" 100.00 178 99.29 100.00 3.32e-97 EMBL CAA99474 "unnamed protein product [Saccharomyces cerevisiae]" 100.00 141 100.00 100.00 3.93e-97 EMBL CAY86533 "Tma16p [Saccharomyces cerevisiae EC1118]" 100.00 178 99.29 100.00 3.39e-97 GB AHY77532 "Tma16p [Saccharomyces cerevisiae YJM993]" 100.00 178 100.00 100.00 1.39e-97 GB AJP41762 "Tma16p [Saccharomyces cerevisiae YJM1078]" 100.00 178 100.00 100.00 1.39e-97 GB AJT71184 "Tma16p [Saccharomyces cerevisiae YJM189]" 100.00 178 100.00 100.00 1.39e-97 GB AJT71672 "Tma16p [Saccharomyces cerevisiae YJM193]" 100.00 178 100.00 100.00 1.39e-97 GB AJT72162 "Tma16p [Saccharomyces cerevisiae YJM195]" 100.00 178 100.00 100.00 1.39e-97 REF NP_014895 "Tma16p [Saccharomyces cerevisiae S288c]" 100.00 178 100.00 100.00 1.39e-97 SP Q08687 "RecName: Full=Translation machinery-associated protein 16" 100.00 178 100.00 100.00 1.39e-97 TPG DAA11019 "TPA: Tma16p [Saccharomyces cerevisiae S288c]" 100.00 178 100.00 100.00 1.39e-97 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 _Details $entity 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae YOR242W 'residues 38-178 only' 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 $entity 'recombinant technology' . Escherichia coli . pET15b 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 $entity 0.6 mM '[U-99% 13C; U-99% 15N]' 'sodium chloride' 300 mM 'natural abundance' DTT 10 mM 'natural abundance' benzamidine 1 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.6 mM '[U-99% 13C; U-99% 15N]' 'sodium chloride' 300 mM 'natural abundance' DTT 10 mM 'natural abundance' benzamidine 1 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AutoStructure _Saveframe_category software _Name AutoStruct _Version . loop_ _Vendor _Address _Electronic_address 'Huang, Tejero, Powers and Montelione' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement refinement stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . 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_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNHA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_4D_1H-13C_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 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' 300 . mM pH 7 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio 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 '2D 1H-15N HSQC' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name YOR252W _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 6 6 ILE HA H 3.93 0.02 1 2 6 6 ILE HB H 1.85 0.02 1 3 6 6 ILE HD1 H 0.81 0.02 1 4 6 6 ILE HG12 H 1.16 0.02 2 5 6 6 ILE HG13 H 1.48 0.02 2 6 6 6 ILE HG2 H 0.86 0.02 1 7 6 6 ILE C C 176.8 0.2 1 8 6 6 ILE CA C 62.1 0.2 1 9 6 6 ILE CB C 38.2 0.2 1 10 6 6 ILE CD1 C 12.6 0.2 1 11 6 6 ILE CG1 C 27.7 0.2 1 12 6 6 ILE CG2 C 17.4 0.2 1 13 7 7 ALA H H 8.21 0.02 1 14 7 7 ALA HA H 3.96 0.02 1 15 7 7 ALA HB H 1.37 0.02 1 16 7 7 ALA C C 178.3 0.2 1 17 7 7 ALA CA C 53.2 0.2 1 18 7 7 ALA CB C 18.9 0.2 1 19 7 7 ALA N N 126.6 0.2 1 20 8 8 ALA H H 8.09 0.02 1 21 8 8 ALA HB H 1.37 0.02 1 22 8 8 ALA C C 178.5 0.2 1 23 8 8 ALA CA C 53.2 0.2 1 24 8 8 ALA CB C 19.0 0.2 1 25 8 8 ALA N N 122.3 0.2 1 26 9 9 LYS H H 8.03 0.02 1 27 9 9 LYS CA C 57.1 0.2 1 28 9 9 LYS CB C 32.8 0.2 1 29 9 9 LYS N N 119.9 0.2 1 30 12 12 LEU HA H 4.21 0.02 1 31 12 12 LEU HB2 H 1.45 0.02 2 32 12 12 LEU HB3 H 1.58 0.02 2 33 12 12 LEU HD1 H 0.86 0.02 1 34 12 12 LEU HD2 H 0.80 0.02 1 35 12 12 LEU HG H 1.52 0.02 1 36 12 12 LEU CA C 55.6 0.2 1 37 12 12 LEU CB C 42.2 0.2 1 38 12 12 LEU CD1 C 24.9 0.2 1 39 12 12 LEU CD2 C 23.7 0.2 1 40 12 12 LEU CG C 26.9 0.2 1 41 14 14 GLN HE21 H 6.84 0.02 2 42 14 14 GLN HE22 H 7.51 0.02 2 43 14 14 GLN HG2 H 1.96 0.02 2 44 14 14 GLN HG3 H 2.25 0.02 2 45 14 14 GLN CB C 29.3 0.2 1 46 14 14 GLN CG C 33.6 0.2 1 47 14 14 GLN NE2 N 112.5 0.2 1 48 17 17 ARG C C 177.2 0.2 1 49 17 17 ARG CA C 57.3 0.2 1 50 17 17 ARG CB C 29.9 0.2 1 51 18 18 VAL H H 7.80 0.02 1 52 18 18 VAL HA H 3.76 0.02 1 53 18 18 VAL HB H 2.02 0.02 1 54 18 18 VAL HG1 H 0.91 0.02 1 55 18 18 VAL HG2 H 0.83 0.02 1 56 18 18 VAL CA C 64.9 0.2 1 57 18 18 VAL CB C 32.0 0.2 1 58 18 18 VAL CG1 C 21.3 0.2 1 59 18 18 VAL CG2 C 21.0 0.2 1 60 18 18 VAL N N 118.5 0.2 1 61 19 19 HIS H H 8.07 0.02 1 62 19 19 HIS HA H 4.54 0.02 1 63 19 19 HIS HB2 H 3.06 0.02 2 64 19 19 HIS HB3 H 3.12 0.02 2 65 19 19 HIS CA C 58.1 0.2 1 66 19 19 HIS CB C 30.2 0.2 1 67 19 19 HIS N N 120.5 0.2 1 68 21 21 LEU HA H 3.95 0.02 1 69 21 21 LEU HB2 H 1.74 0.02 2 70 21 21 LEU HB3 H 1.85 0.02 2 71 21 21 LEU HD1 H 0.95 0.02 1 72 21 21 LEU HD2 H 0.97 0.02 1 73 21 21 LEU HG H 1.82 0.02 1 74 21 21 LEU C C 178.5 0.2 1 75 21 21 LEU CA C 58.2 0.2 1 76 21 21 LEU CB C 42.0 0.2 1 77 21 21 LEU CD1 C 24.3 0.2 1 78 21 21 LEU CD2 C 25.4 0.2 1 79 21 21 LEU CG C 27.3 0.2 1 80 22 22 ALA H H 8.05 0.02 1 81 22 22 ALA HA H 4.22 0.02 1 82 22 22 ALA HB H 1.69 0.02 1 83 22 22 ALA C C 181.1 0.2 1 84 22 22 ALA CA C 55.5 0.2 1 85 22 22 ALA CB C 18.4 0.2 1 86 22 22 ALA N N 120.2 0.2 1 87 23 23 ARG H H 7.81 0.02 1 88 23 23 ARG HA H 3.44 0.02 1 89 23 23 ARG HB2 H 1.45 0.02 2 90 23 23 ARG HB3 H 1.57 0.02 2 91 23 23 ARG C C 177.3 0.2 1 92 23 23 ARG CA C 58.9 0.2 1 93 23 23 ARG CB C 30.2 0.2 1 94 23 23 ARG N N 116.9 0.2 1 95 24 24 VAL H H 7.59 0.02 1 96 24 24 VAL HA H 3.08 0.02 1 97 24 24 VAL HB H 1.68 0.02 1 98 24 24 VAL HG1 H 0.60 0.02 1 99 24 24 VAL HG2 H -0.11 0.02 1 100 24 24 VAL C C 177.2 0.2 1 101 24 24 VAL CA C 67.3 0.2 1 102 24 24 VAL CB C 30.8 0.2 1 103 24 24 VAL CG1 C 22.9 0.2 1 104 24 24 VAL CG2 C 21.3 0.2 1 105 24 24 VAL N N 119.7 0.2 1 106 25 25 LYS H H 8.48 0.02 1 107 25 25 LYS HA H 4.19 0.02 1 108 25 25 LYS HB2 H 2.04 0.02 2 109 25 25 LYS HB3 H 2.11 0.02 2 110 25 25 LYS C C 177.5 0.2 1 111 25 25 LYS CA C 59.4 0.2 1 112 25 25 LYS CB C 32.5 0.2 1 113 25 25 LYS CD C 28.5 0.2 1 114 25 25 LYS CG C 25.2 0.2 1 115 25 25 LYS N N 119.5 0.2 1 116 26 26 PHE H H 8.00 0.02 1 117 26 26 PHE HA H 4.23 0.02 1 118 26 26 PHE HB2 H 3.11 0.02 2 119 26 26 PHE HB3 H 3.39 0.02 2 120 26 26 PHE HD1 H 7.27 0.02 3 121 26 26 PHE HE1 H 7.28 0.02 3 122 26 26 PHE HZ H 7.38 0.02 1 123 26 26 PHE C C 177.8 0.2 1 124 26 26 PHE CA C 61.6 0.2 1 125 26 26 PHE CB C 39.9 0.2 1 126 26 26 PHE CD1 C 132.6 0.2 3 127 26 26 PHE CE1 C 131.5 0.2 3 128 26 26 PHE CZ C 131.5 0.2 1 129 26 26 PHE N N 118.1 0.2 1 130 27 27 MET H H 7.84 0.02 1 131 27 27 MET HA H 4.13 0.02 1 132 27 27 MET HB2 H 1.73 0.02 2 133 27 27 MET HB3 H 2.18 0.02 2 134 27 27 MET HE H 1.87 0.02 1 135 27 27 MET HG2 H 2.72 0.02 2 136 27 27 MET HG3 H 2.90 0.02 2 137 27 27 MET C C 177.7 0.2 1 138 27 27 MET CA C 56.9 0.2 1 139 27 27 MET CB C 31.1 0.2 1 140 27 27 MET CE C 17.6 0.2 1 141 27 27 MET CG C 34.0 0.2 1 142 27 27 MET N N 115.2 0.2 1 143 28 28 GLN H H 8.75 0.02 1 144 28 28 GLN HA H 3.60 0.02 1 145 28 28 GLN HB2 H 1.90 0.02 2 146 28 28 GLN HB3 H 1.92 0.02 2 147 28 28 GLN HG2 H 2.28 0.02 2 148 28 28 GLN HG3 H 2.32 0.02 2 149 28 28 GLN C C 176.3 0.2 1 150 28 28 GLN CA C 59.8 0.2 1 151 28 28 GLN CB C 28.7 0.2 1 152 28 28 GLN CG C 35.2 0.2 1 153 28 28 GLN N N 120.4 0.2 1 154 29 29 ASP H H 8.23 0.02 1 155 29 29 ASP HA H 4.21 0.02 1 156 29 29 ASP HB2 H 2.41 0.02 2 157 29 29 ASP HB3 H 2.72 0.02 2 158 29 29 ASP C C 179.6 0.2 1 159 29 29 ASP CA C 57.1 0.2 1 160 29 29 ASP CB C 39.6 0.2 1 161 29 29 ASP N N 118.1 0.2 1 162 30 30 VAL H H 7.66 0.02 1 163 30 30 VAL HA H 3.42 0.02 1 164 30 30 VAL HB H 1.55 0.02 1 165 30 30 VAL HG1 H -0.57 0.02 1 166 30 30 VAL HG2 H 0.37 0.02 1 167 30 30 VAL C C 180.4 0.2 1 168 30 30 VAL CA C 66.9 0.2 1 169 30 30 VAL CB C 31.6 0.2 1 170 30 30 VAL CG1 C 20.1 0.2 1 171 30 30 VAL CG2 C 22.6 0.2 1 172 30 30 VAL N N 119.6 0.2 1 173 31 31 VAL H H 8.13 0.02 1 174 31 31 VAL HA H 3.88 0.02 1 175 31 31 VAL HB H 2.39 0.02 1 176 31 31 VAL HG1 H 1.00 0.02 1 177 31 31 VAL HG2 H 0.68 0.02 1 178 31 31 VAL C C 177.3 0.2 1 179 31 31 VAL CA C 64.9 0.2 1 180 31 31 VAL CB C 30.9 0.2 1 181 31 31 VAL CG1 C 19.3 0.2 1 182 31 31 VAL CG2 C 21.8 0.2 1 183 31 31 VAL N N 112.3 0.2 1 184 32 32 ASN H H 7.88 0.02 1 185 32 32 ASN HA H 5.20 0.02 1 186 32 32 ASN HB2 H 2.94 0.02 2 187 32 32 ASN HB3 H 2.99 0.02 2 188 32 32 ASN HD21 H 6.96 0.02 2 189 32 32 ASN HD22 H 7.52 0.02 2 190 32 32 ASN C C 175.9 0.2 1 191 32 32 ASN CA C 51.9 0.2 1 192 32 32 ASN CB C 38.7 0.2 1 193 32 32 ASN N N 119.4 0.2 1 194 32 32 ASN ND2 N 107.5 0.2 1 195 33 33 SER H H 7.63 0.02 1 196 33 33 SER HA H 4.34 0.02 1 197 33 33 SER HB2 H 4.22 0.02 2 198 33 33 SER HB3 H 4.33 0.02 2 199 33 33 SER HG H 5.94 0.02 1 200 33 33 SER C C 174.4 0.2 1 201 33 33 SER CA C 58.9 0.2 1 202 33 33 SER CB C 64.5 0.2 1 203 33 33 SER N N 118.8 0.2 1 204 34 34 ASP H H 9.05 0.02 1 205 34 34 ASP HA H 4.19 0.02 1 206 34 34 ASP HB2 H 2.59 0.02 2 207 34 34 ASP HB3 H 2.62 0.02 2 208 34 34 ASP C C 178.1 0.2 1 209 34 34 ASP CA C 58.2 0.2 1 210 34 34 ASP CB C 40.1 0.2 1 211 34 34 ASP N N 121.7 0.2 1 212 35 35 THR H H 7.80 0.02 1 213 35 35 THR HA H 3.72 0.02 1 214 35 35 THR HB H 3.27 0.02 1 215 35 35 THR HG2 H 0.41 0.02 1 216 35 35 THR C C 175.0 0.2 1 217 35 35 THR CA C 65.4 0.2 1 218 35 35 THR CB C 69.3 0.2 1 219 35 35 THR CG2 C 21.2 0.2 1 220 35 35 THR N N 111.4 0.2 1 221 36 36 PHE H H 7.01 0.02 1 222 36 36 PHE HA H 5.10 0.02 1 223 36 36 PHE HB2 H 2.90 0.02 2 224 36 36 PHE HB3 H 3.59 0.02 2 225 36 36 PHE HD1 H 7.34 0.02 3 226 36 36 PHE C C 176.9 0.2 1 227 36 36 PHE CA C 58.1 0.2 1 228 36 36 PHE CB C 40.9 0.2 1 229 36 36 PHE N N 117.8 0.2 1 230 37 37 LYS H H 8.22 0.02 1 231 37 37 LYS HA H 4.49 0.02 1 232 37 37 LYS HB2 H 1.75 0.02 2 233 37 37 LYS HB3 H 1.88 0.02 2 234 37 37 LYS HE2 H 2.93 0.02 2 235 37 37 LYS HE3 H 2.96 0.02 2 236 37 37 LYS HG2 H 1.22 0.02 2 237 37 37 LYS HG3 H 1.52 0.02 2 238 37 37 LYS C C 176.6 0.2 1 239 37 37 LYS CA C 58.8 0.2 1 240 37 37 LYS CB C 31.3 0.2 1 241 37 37 LYS CD C 29.4 0.2 1 242 37 37 LYS CG C 23.7 0.2 1 243 37 37 LYS N N 119.5 0.2 1 244 38 38 GLY H H 8.54 0.02 1 245 38 38 GLY HA2 H 3.64 0.02 2 246 38 38 GLY HA3 H 4.06 0.02 2 247 38 38 GLY C C 174.3 0.2 1 248 38 38 GLY CA C 44.9 0.2 1 249 38 38 GLY N N 106.7 0.2 1 250 39 39 GLN H H 7.67 0.02 1 251 39 39 GLN HA H 4.68 0.02 1 252 39 39 GLN HB2 H 1.63 0.02 2 253 39 39 GLN HB3 H 1.92 0.02 2 254 39 39 GLN HE21 H 6.78 0.02 2 255 39 39 GLN HE22 H 7.45 0.02 2 256 39 39 GLN HG2 H 2.21 0.02 2 257 39 39 GLN HG3 H 2.25 0.02 2 258 39 39 GLN CA C 52.3 0.2 1 259 39 39 GLN CB C 28.8 0.2 1 260 39 39 GLN CG C 32.9 0.2 1 261 39 39 GLN N N 121.1 0.2 1 262 39 39 GLN NE2 N 112.9 0.2 1 263 40 40 PRO HA H 4.13 0.02 1 264 40 40 PRO HB2 H 1.89 0.02 2 265 40 40 PRO HB3 H 2.26 0.02 2 266 40 40 PRO HD2 H 3.84 0.02 2 267 40 40 PRO HD3 H 3.91 0.02 2 268 40 40 PRO C C 175.8 0.2 1 269 40 40 PRO CA C 65.2 0.2 1 270 40 40 PRO CB C 32.6 0.2 1 271 40 40 PRO CD C 50.9 0.2 1 272 41 41 ILE H H 6.47 0.02 1 273 41 41 ILE HA H 4.61 0.02 1 274 41 41 ILE HB H 1.79 0.02 1 275 41 41 ILE HD1 H 0.68 0.02 1 276 41 41 ILE HG12 H 0.82 0.02 2 277 41 41 ILE HG13 H 1.00 0.02 2 278 41 41 ILE HG2 H 0.72 0.02 1 279 41 41 ILE C C 173.6 0.2 1 280 41 41 ILE CA C 59.0 0.2 1 281 41 41 ILE CB C 45.6 0.2 1 282 41 41 ILE CD1 C 14.3 0.2 1 283 41 41 ILE CG1 C 24.9 0.2 1 284 41 41 ILE CG2 C 20.2 0.2 1 285 41 41 ILE N N 105.6 0.2 1 286 42 42 PHE H H 8.35 0.02 1 287 42 42 PHE HA H 4.40 0.02 1 288 42 42 PHE HB2 H 2.66 0.02 2 289 42 42 PHE HB3 H 2.80 0.02 2 290 42 42 PHE HD1 H 6.92 0.02 3 291 42 42 PHE HE1 H 7.12 0.02 3 292 42 42 PHE C C 174.5 0.2 1 293 42 42 PHE CA C 57.9 0.2 1 294 42 42 PHE CB C 42.9 0.2 1 295 42 42 PHE CD1 C 131.7 0.2 3 296 42 42 PHE CE1 C 130.6 0.2 3 297 42 42 PHE N N 117.3 0.2 1 298 43 43 ASP H H 8.50 0.02 1 299 43 43 ASP HA H 4.33 0.02 1 300 43 43 ASP HB2 H 2.68 0.02 2 301 43 43 ASP HB3 H 3.08 0.02 2 302 43 43 ASP CA C 52.3 0.2 1 303 43 43 ASP CB C 41.1 0.2 1 304 43 43 ASP N N 119.8 0.2 1 305 44 44 HIS HA H 4.63 0.02 1 306 44 44 HIS HB2 H 2.97 0.02 2 307 44 44 HIS HB3 H 3.11 0.02 2 308 44 44 HIS HE1 H 7.84 0.02 1 309 44 44 HIS C C 177.5 0.2 1 310 44 44 HIS CA C 57.9 0.2 1 311 44 44 HIS CB C 30.2 0.2 1 312 44 44 HIS CE1 C 138.9 0.2 1 313 45 45 ALA H H 8.19 0.02 1 314 45 45 ALA HA H 4.03 0.02 1 315 45 45 ALA HB H 1.40 0.02 1 316 45 45 ALA C C 180.5 0.2 1 317 45 45 ALA CA C 55.2 0.2 1 318 45 45 ALA CB C 17.8 0.2 1 319 45 45 ALA N N 120.9 0.2 1 320 46 46 HIS H H 8.24 0.02 1 321 46 46 HIS HA H 4.02 0.02 1 322 46 46 HIS HB2 H 2.75 0.02 2 323 46 46 HIS HB3 H 3.25 0.02 2 324 46 46 HIS C C 177.1 0.2 1 325 46 46 HIS CA C 59.7 0.2 1 326 46 46 HIS CB C 28.7 0.2 1 327 46 46 HIS N N 117.8 0.2 1 328 47 47 THR H H 8.59 0.02 1 329 47 47 THR HA H 3.43 0.02 1 330 47 47 THR HB H 4.19 0.02 1 331 47 47 THR HG2 H 1.25 0.02 1 332 47 47 THR C C 175.9 0.2 1 333 47 47 THR CA C 67.1 0.2 1 334 47 47 THR CB C 66.7 0.2 1 335 47 47 THR CG2 C 24.4 0.2 1 336 47 47 THR N N 120.0 0.2 1 337 48 48 ARG H H 8.42 0.02 1 338 48 48 ARG HA H 3.86 0.02 1 339 48 48 ARG HB2 H 2.03 0.02 2 340 48 48 ARG HB3 H 2.08 0.02 2 341 48 48 ARG C C 177.9 0.2 1 342 48 48 ARG CA C 60.3 0.2 1 343 48 48 ARG CB C 30.0 0.2 1 344 48 48 ARG N N 120.3 0.2 1 345 49 49 GLU H H 7.07 0.02 1 346 49 49 GLU HA H 4.08 0.02 1 347 49 49 GLU HB2 H 1.99 0.02 2 348 49 49 GLU HB3 H 2.04 0.02 2 349 49 49 GLU HG2 H 2.23 0.02 2 350 49 49 GLU HG3 H 2.35 0.02 2 351 49 49 GLU C C 179.5 0.2 1 352 49 49 GLU CA C 58.8 0.2 1 353 49 49 GLU CB C 28.9 0.2 1 354 49 49 GLU CG C 35.9 0.2 1 355 49 49 GLU N N 117.5 0.2 1 356 50 50 PHE H H 7.45 0.02 1 357 50 50 PHE HA H 4.75 0.02 1 358 50 50 PHE HB2 H 3.20 0.02 2 359 50 50 PHE HB3 H 3.29 0.02 2 360 50 50 PHE HD1 H 6.85 0.02 3 361 50 50 PHE HE1 H 6.09 0.02 3 362 50 50 PHE HZ H 5.13 0.02 1 363 50 50 PHE C C 178.8 0.2 1 364 50 50 PHE CA C 57.1 0.2 1 365 50 50 PHE CB C 37.2 0.2 1 366 50 50 PHE CD1 C 129.6 0.2 3 367 50 50 PHE CE1 C 130.9 0.2 3 368 50 50 PHE CZ C 128.7 0.2 1 369 50 50 PHE N N 120.7 0.2 1 370 51 51 ILE H H 8.42 0.02 1 371 51 51 ILE HA H 2.89 0.02 1 372 51 51 ILE HB H 1.30 0.02 1 373 51 51 ILE HD1 H -1.31 0.02 1 374 51 51 ILE HG12 H 0.28 0.02 2 375 51 51 ILE HG13 H 1.62 0.02 2 376 51 51 ILE HG2 H 0.80 0.02 1 377 51 51 ILE C C 176.7 0.2 1 378 51 51 ILE CA C 65.6 0.2 1 379 51 51 ILE CB C 37.1 0.2 1 380 51 51 ILE CD1 C 14.8 0.2 1 381 51 51 ILE CG1 C 29.0 0.2 1 382 51 51 ILE CG2 C 14.9 0.2 1 383 51 51 ILE N N 121.0 0.2 1 384 52 52 GLN H H 7.77 0.02 1 385 52 52 GLN HA H 3.48 0.02 1 386 52 52 GLN HB2 H 2.16 0.02 2 387 52 52 GLN HB3 H 2.28 0.02 2 388 52 52 GLN HE21 H 6.30 0.02 2 389 52 52 GLN HE22 H 8.20 0.02 2 390 52 52 GLN HG2 H 2.21 0.02 2 391 52 52 GLN HG3 H 2.34 0.02 2 392 52 52 GLN C C 177.5 0.2 1 393 52 52 GLN CA C 59.3 0.2 1 394 52 52 GLN CB C 27.4 0.2 1 395 52 52 GLN CG C 32.3 0.2 1 396 52 52 GLN N N 119.6 0.2 1 397 52 52 GLN NE2 N 111.0 0.2 1 398 53 53 SER H H 7.93 0.02 1 399 53 53 SER HA H 4.75 0.02 1 400 53 53 SER HB2 H 4.14 0.02 2 401 53 53 SER HB3 H 4.25 0.02 2 402 53 53 SER C C 176.4 0.2 1 403 53 53 SER CA C 62.1 0.2 1 404 53 53 SER CB C 62.5 0.2 1 405 53 53 SER N N 113.0 0.2 1 406 54 54 PHE H H 8.06 0.02 1 407 54 54 PHE HA H 3.04 0.02 1 408 54 54 PHE HB2 H 2.26 0.02 2 409 54 54 PHE HB3 H 2.94 0.02 2 410 54 54 PHE HD1 H 6.43 0.02 3 411 54 54 PHE HE1 H 7.13 0.02 3 412 54 54 PHE C C 179.2 0.2 1 413 54 54 PHE CA C 60.7 0.2 1 414 54 54 PHE CB C 37.7 0.2 1 415 54 54 PHE CD1 C 131.4 0.2 3 416 54 54 PHE CE1 C 131.4 0.2 3 417 54 54 PHE N N 123.6 0.2 1 418 55 55 ILE H H 8.36 0.02 1 419 55 55 ILE HA H 3.20 0.02 1 420 55 55 ILE HB H 1.77 0.02 1 421 55 55 ILE HD1 H 0.27 0.02 1 422 55 55 ILE HG12 H 1.07 0.02 2 423 55 55 ILE HG13 H 1.48 0.02 2 424 55 55 ILE HG2 H 0.86 0.02 1 425 55 55 ILE C C 177.4 0.2 1 426 55 55 ILE CA C 65.4 0.2 1 427 55 55 ILE CB C 37.9 0.2 1 428 55 55 ILE CD1 C 14.5 0.2 1 429 55 55 ILE CG1 C 29.2 0.2 1 430 55 55 ILE CG2 C 16.5 0.2 1 431 55 55 ILE N N 124.6 0.2 1 432 56 56 GLU H H 7.38 0.02 1 433 56 56 GLU HA H 4.15 0.02 1 434 56 56 GLU HB2 H 1.80 0.02 2 435 56 56 GLU HB3 H 1.94 0.02 2 436 56 56 GLU HG2 H 2.27 0.02 2 437 56 56 GLU HG3 H 2.55 0.02 2 438 56 56 GLU C C 178.9 0.2 1 439 56 56 GLU CA C 56.4 0.2 1 440 56 56 GLU CB C 30.1 0.2 1 441 56 56 GLU CG C 35.9 0.2 1 442 56 56 GLU N N 117.2 0.2 1 443 57 57 ARG H H 7.37 0.02 1 444 57 57 ARG HA H 4.19 0.02 1 445 57 57 ARG HB2 H 1.89 0.02 2 446 57 57 ARG HB3 H 1.92 0.02 2 447 57 57 ARG C C 176.2 0.2 1 448 57 57 ARG CA C 59.6 0.2 1 449 57 57 ARG CB C 28.5 0.2 1 450 57 57 ARG N N 120.0 0.2 1 451 58 58 ASP H H 8.75 0.02 1 452 58 58 ASP HA H 5.48 0.02 1 453 58 58 ASP HB2 H 2.14 0.02 2 454 58 58 ASP HB3 H 3.12 0.02 2 455 58 58 ASP C C 175.9 0.2 1 456 58 58 ASP CA C 54.4 0.2 1 457 58 58 ASP CB C 42.8 0.2 1 458 58 58 ASP N N 120.1 0.2 1 459 59 59 ASP H H 8.06 0.02 1 460 59 59 ASP HA H 4.24 0.02 1 461 59 59 ASP HB2 H 2.57 0.02 2 462 59 59 ASP HB3 H 2.86 0.02 2 463 59 59 ASP C C 178.4 0.2 1 464 59 59 ASP CA C 58.0 0.2 1 465 59 59 ASP CB C 39.2 0.2 1 466 59 59 ASP N N 121.5 0.2 1 467 60 60 THR H H 8.56 0.02 1 468 60 60 THR HA H 3.98 0.02 1 469 60 60 THR HB H 4.10 0.02 1 470 60 60 THR HG2 H 1.23 0.02 1 471 60 60 THR C C 176.3 0.2 1 472 60 60 THR CA C 66.8 0.2 1 473 60 60 THR CB C 67.9 0.2 1 474 60 60 THR CG2 C 21.9 0.2 1 475 60 60 THR N N 116.7 0.2 1 476 61 61 GLU H H 7.86 0.02 1 477 61 61 GLU HA H 4.11 0.02 1 478 61 61 GLU HB2 H 1.94 0.02 2 479 61 61 GLU HB3 H 2.01 0.02 2 480 61 61 GLU C C 178.2 0.2 1 481 61 61 GLU CA C 58.9 0.2 1 482 61 61 GLU CB C 29.4 0.2 1 483 61 61 GLU N N 124.1 0.2 1 484 62 62 LEU H H 8.22 0.02 1 485 62 62 LEU HA H 3.93 0.02 1 486 62 62 LEU HB2 H 1.46 0.02 2 487 62 62 LEU HB3 H 1.84 0.02 2 488 62 62 LEU HD1 H 0.96 0.02 1 489 62 62 LEU HD2 H 0.80 0.02 1 490 62 62 LEU HG H 1.54 0.02 1 491 62 62 LEU C C 177.8 0.2 1 492 62 62 LEU CA C 58.4 0.2 1 493 62 62 LEU CB C 42.0 0.2 1 494 62 62 LEU CD1 C 23.6 0.2 1 495 62 62 LEU CD2 C 25.2 0.2 1 496 62 62 LEU CG C 27.3 0.2 1 497 62 62 LEU N N 119.8 0.2 1 498 63 63 ASP H H 8.66 0.02 1 499 63 63 ASP HA H 4.31 0.02 1 500 63 63 ASP HB2 H 2.55 0.02 2 501 63 63 ASP HB3 H 2.81 0.02 2 502 63 63 ASP C C 178.9 0.2 1 503 63 63 ASP CA C 57.6 0.2 1 504 63 63 ASP CB C 40.6 0.2 1 505 63 63 ASP N N 118.2 0.2 1 506 64 64 GLU H H 7.79 0.02 1 507 64 64 GLU HA H 3.97 0.02 1 508 64 64 GLU HB2 H 2.05 0.02 2 509 64 64 GLU HB3 H 2.12 0.02 2 510 64 64 GLU HG2 H 2.24 0.02 2 511 64 64 GLU HG3 H 2.32 0.02 2 512 64 64 GLU C C 179.2 0.2 1 513 64 64 GLU CA C 59.4 0.2 1 514 64 64 GLU CB C 29.3 0.2 1 515 64 64 GLU CG C 36.1 0.2 1 516 64 64 GLU N N 120.5 0.2 1 517 65 65 LEU H H 8.33 0.02 1 518 65 65 LEU HA H 3.94 0.02 1 519 65 65 LEU HB2 H 1.39 0.02 2 520 65 65 LEU HB3 H 2.03 0.02 2 521 65 65 LEU HD1 H 0.90 0.02 1 522 65 65 LEU HD2 H 0.73 0.02 1 523 65 65 LEU HG H 1.94 0.02 1 524 65 65 LEU C C 180.1 0.2 1 525 65 65 LEU CA C 57.9 0.2 1 526 65 65 LEU CB C 41.4 0.2 1 527 65 65 LEU CD1 C 22.7 0.2 1 528 65 65 LEU CD2 C 26.1 0.2 1 529 65 65 LEU CG C 26.5 0.2 1 530 65 65 LEU N N 119.9 0.2 1 531 66 66 LYS H H 8.16 0.02 1 532 66 66 LYS HA H 3.87 0.02 1 533 66 66 LYS HB2 H 1.87 0.02 2 534 66 66 LYS HB3 H 1.90 0.02 2 535 66 66 LYS HE2 H 2.77 0.02 2 536 66 66 LYS HE3 H 2.92 0.02 2 537 66 66 LYS HG2 H 1.39 0.02 2 538 66 66 LYS HG3 H 1.62 0.02 2 539 66 66 LYS C C 179.5 0.2 1 540 66 66 LYS CA C 59.9 0.2 1 541 66 66 LYS CB C 32.8 0.2 1 542 66 66 LYS CD C 29.6 0.2 1 543 66 66 LYS CE C 41.7 0.2 1 544 66 66 LYS CG C 26.1 0.2 1 545 66 66 LYS N N 118.1 0.2 1 546 67 67 LYS H H 7.89 0.02 1 547 67 67 LYS HA H 4.03 0.02 1 548 67 67 LYS HB2 H 1.87 0.02 2 549 67 67 LYS HB3 H 1.89 0.02 2 550 67 67 LYS HE2 H 2.90 0.02 2 551 67 67 LYS HE3 H 2.92 0.02 2 552 67 67 LYS HG2 H 1.41 0.02 2 553 67 67 LYS HG3 H 1.55 0.02 2 554 67 67 LYS C C 178.1 0.2 1 555 67 67 LYS CA C 58.7 0.2 1 556 67 67 LYS CB C 32.8 0.2 1 557 67 67 LYS CD C 29.1 0.2 1 558 67 67 LYS CE C 42.0 0.2 1 559 67 67 LYS CG C 25.5 0.2 1 560 67 67 LYS N N 118.7 0.2 1 561 68 68 LYS H H 7.58 0.02 1 562 68 68 LYS HA H 4.21 0.02 1 563 68 68 LYS HB2 H 1.79 0.02 2 564 68 68 LYS HB3 H 1.90 0.02 2 565 68 68 LYS HG2 H 1.45 0.02 2 566 68 68 LYS HG3 H 1.56 0.02 2 567 68 68 LYS C C 176.4 0.2 1 568 68 68 LYS CA C 56.4 0.2 1 569 68 68 LYS CB C 33.0 0.2 1 570 68 68 LYS CD C 29.1 0.2 1 571 68 68 LYS CE C 42.1 0.2 1 572 68 68 LYS CG C 25.4 0.2 1 573 68 68 LYS N N 117.1 0.2 1 574 69 69 ARG H H 7.35 0.02 1 575 69 69 ARG HA H 4.15 0.02 1 576 69 69 ARG HB2 H 1.80 0.02 2 577 69 69 ARG HB3 H 1.94 0.02 2 578 69 69 ARG C C 176.4 0.2 1 579 69 69 ARG CA C 56.9 0.2 1 580 69 69 ARG CB C 30.2 0.2 1 581 69 69 ARG CD C 43.6 0.2 1 582 69 69 ARG CG C 26.8 0.2 1 583 69 69 ARG N N 122.5 0.2 1 584 70 70 ARG H H 8.56 0.02 1 585 70 70 ARG HA H 4.42 0.02 1 586 70 70 ARG HB2 H 1.71 0.02 2 587 70 70 ARG HB3 H 1.92 0.02 2 588 70 70 ARG C C 177.0 0.2 1 589 70 70 ARG CA C 55.5 0.2 1 590 70 70 ARG CB C 31.1 0.2 1 591 70 70 ARG CD C 43.3 0.2 1 592 70 70 ARG CG C 27.2 0.2 1 593 70 70 ARG N N 126.5 0.2 1 594 71 71 SER H H 8.60 0.02 1 595 71 71 SER HA H 4.91 0.02 1 596 71 71 SER C C 174.5 0.2 1 597 71 71 SER CA C 59.9 0.2 1 598 71 71 SER CB C 63.1 0.2 1 599 71 71 SER N N 117.0 0.2 1 600 72 72 ASN H H 8.44 0.02 1 601 72 72 ASN HA H 4.10 0.02 1 602 72 72 ASN HB2 H 2.83 0.02 2 603 72 72 ASN HB3 H 2.97 0.02 2 604 72 72 ASN HD21 H 6.81 0.02 2 605 72 72 ASN HD22 H 7.56 0.02 2 606 72 72 ASN C C 174.4 0.2 1 607 72 72 ASN CA C 53.4 0.2 1 608 72 72 ASN CB C 37.6 0.2 1 609 72 72 ASN N N 117.0 0.2 1 610 72 72 ASN ND2 N 112.5 0.2 1 611 73 73 ARG H H 7.71 0.02 1 612 73 73 ARG HA H 4.75 0.02 1 613 73 73 ARG CA C 53.0 0.2 1 614 73 73 ARG CB C 30.8 0.2 1 615 73 73 ARG N N 119.6 0.2 1 616 74 74 PRO HB2 H 1.82 0.02 2 617 74 74 PRO HB3 H 2.35 0.02 2 618 74 74 PRO HD2 H 3.56 0.02 2 619 74 74 PRO HD3 H 3.78 0.02 2 620 74 74 PRO CB C 30.7 0.2 1 621 74 74 PRO CD C 50.5 0.2 1 622 75 75 PRO HA H 4.21 0.02 1 623 75 75 PRO HB2 H 1.74 0.02 2 624 75 75 PRO HB3 H 1.95 0.02 2 625 75 75 PRO HD2 H 3.57 0.02 2 626 75 75 PRO HD3 H 3.65 0.02 2 627 75 75 PRO C C 176.0 0.2 1 628 75 75 PRO CA C 62.4 0.2 1 629 75 75 PRO CB C 32.0 0.2 1 630 75 75 PRO CD C 50.1 0.2 1 631 76 76 SER H H 8.81 0.02 1 632 76 76 SER HA H 4.31 0.02 1 633 76 76 SER HB2 H 4.11 0.02 2 634 76 76 SER HB3 H 4.27 0.02 2 635 76 76 SER C C 174.4 0.2 1 636 76 76 SER CA C 57.8 0.2 1 637 76 76 SER CB C 64.9 0.2 1 638 76 76 SER N N 117.5 0.2 1 639 77 77 ASN H H 8.93 0.02 1 640 77 77 ASN HA H 4.30 0.02 1 641 77 77 ASN HB2 H 2.72 0.02 2 642 77 77 ASN HB3 H 2.81 0.02 2 643 77 77 ASN HD21 H 6.96 0.02 2 644 77 77 ASN HD22 H 7.71 0.02 2 645 77 77 ASN C C 177.4 0.2 1 646 77 77 ASN CA C 56.4 0.2 1 647 77 77 ASN CB C 38.0 0.2 1 648 77 77 ASN N N 120.7 0.2 1 649 77 77 ASN ND2 N 113.0 0.2 1 650 78 78 ARG H H 8.37 0.02 1 651 78 78 ARG HA H 4.00 0.02 1 652 78 78 ARG C C 176.7 0.2 1 653 78 78 ARG CA C 58.1 0.2 1 654 78 78 ARG CB C 29.8 0.2 1 655 78 78 ARG CG C 26.3 0.2 1 656 78 78 ARG N N 118.9 0.2 1 657 79 79 GLN H H 7.51 0.02 1 658 79 79 GLN HA H 3.59 0.02 1 659 79 79 GLN HB2 H 2.04 0.02 2 660 79 79 GLN HB3 H 2.07 0.02 2 661 79 79 GLN HE21 H 6.80 0.02 2 662 79 79 GLN HE22 H 7.68 0.02 2 663 79 79 GLN HG2 H 2.13 0.02 2 664 79 79 GLN HG3 H 2.26 0.02 2 665 79 79 GLN C C 176.9 0.2 1 666 79 79 GLN CA C 59.7 0.2 1 667 79 79 GLN CB C 27.8 0.2 1 668 79 79 GLN CG C 32.9 0.2 1 669 79 79 GLN N N 118.5 0.2 1 670 79 79 GLN NE2 N 110.3 0.2 1 671 80 80 VAL H H 7.87 0.02 1 672 80 80 VAL HA H 3.56 0.02 1 673 80 80 VAL HB H 2.04 0.02 1 674 80 80 VAL HG1 H 0.94 0.02 1 675 80 80 VAL HG2 H 0.87 0.02 1 676 80 80 VAL C C 178.3 0.2 1 677 80 80 VAL CA C 66.5 0.2 1 678 80 80 VAL CB C 31.9 0.2 1 679 80 80 VAL CG1 C 22.6 0.2 1 680 80 80 VAL CG2 C 20.9 0.2 1 681 80 80 VAL N N 117.9 0.2 1 682 81 81 LEU H H 8.18 0.02 1 683 81 81 LEU HA H 4.01 0.02 1 684 81 81 LEU HB2 H 1.61 0.02 2 685 81 81 LEU HB3 H 1.78 0.02 2 686 81 81 LEU HD1 H 0.85 0.02 1 687 81 81 LEU HD2 H 0.83 0.02 1 688 81 81 LEU HG H 1.70 0.02 1 689 81 81 LEU CA C 58.4 0.2 1 690 81 81 LEU CB C 42.1 0.2 1 691 81 81 LEU CD1 C 25.5 0.2 1 692 81 81 LEU CD2 C 23.9 0.2 1 693 81 81 LEU CG C 27.0 0.2 1 694 81 81 LEU N N 120.0 0.2 1 695 82 82 LEU HA H 3.94 0.02 1 696 82 82 LEU HB2 H 1.27 0.02 2 697 82 82 LEU HB3 H 1.89 0.02 2 698 82 82 LEU HD1 H 0.66 0.02 1 699 82 82 LEU HD2 H 0.70 0.02 1 700 82 82 LEU HG H 1.72 0.02 1 701 82 82 LEU C C 178.6 0.2 1 702 82 82 LEU CA C 57.6 0.2 1 703 82 82 LEU CB C 43.4 0.2 1 704 82 82 LEU CD1 C 25.2 0.2 1 705 82 82 LEU CD2 C 21.7 0.2 1 706 82 82 LEU CG C 26.8 0.2 1 707 83 83 GLN H H 8.58 0.02 1 708 83 83 GLN HA H 3.73 0.02 1 709 83 83 GLN HB2 H 2.15 0.02 2 710 83 83 GLN HB3 H 2.17 0.02 2 711 83 83 GLN HE21 H 7.05 0.02 2 712 83 83 GLN HE22 H 7.75 0.02 2 713 83 83 GLN HG2 H 2.32 0.02 2 714 83 83 GLN HG3 H 2.36 0.02 2 715 83 83 GLN C C 178.0 0.2 1 716 83 83 GLN CA C 58.6 0.2 1 717 83 83 GLN CB C 29.4 0.2 1 718 83 83 GLN CG C 34.1 0.2 1 719 83 83 GLN N N 118.7 0.2 1 720 83 83 GLN NE2 N 116.2 0.2 1 721 84 84 GLN H H 8.47 0.02 1 722 84 84 GLN HA H 4.13 0.02 1 723 84 84 GLN HB2 H 2.04 0.02 2 724 84 84 GLN HB3 H 2.18 0.02 2 725 84 84 GLN HE21 H 6.74 0.02 2 726 84 84 GLN HE22 H 7.40 0.02 2 727 84 84 GLN HG2 H 2.36 0.02 2 728 84 84 GLN HG3 H 2.62 0.02 2 729 84 84 GLN CA C 58.9 0.2 1 730 84 84 GLN CB C 28.4 0.2 1 731 84 84 GLN CG C 34.4 0.2 1 732 84 84 GLN N N 117.0 0.2 1 733 84 84 GLN NE2 N 111.2 0.2 1 734 86 86 ARG H H 8.01 0.02 1 735 86 86 ARG C C 178.6 0.2 1 736 86 86 ARG CA C 59.8 0.2 1 737 86 86 ARG CB C 31.3 0.2 1 738 86 86 ARG N N 121.0 0.2 1 739 87 87 ASP H H 8.43 0.02 1 740 87 87 ASP HA H 4.36 0.02 1 741 87 87 ASP HB2 H 2.61 0.02 2 742 87 87 ASP HB3 H 2.81 0.02 2 743 87 87 ASP C C 179.7 0.2 1 744 87 87 ASP CA C 57.6 0.2 1 745 87 87 ASP CB C 40.3 0.2 1 746 87 87 ASP N N 117.3 0.2 1 747 88 88 GLN H H 8.24 0.02 1 748 88 88 GLN HA H 4.10 0.02 1 749 88 88 GLN HB2 H 2.23 0.02 2 750 88 88 GLN HB3 H 2.28 0.02 2 751 88 88 GLN HE21 H 6.86 0.02 2 752 88 88 GLN HE22 H 7.50 0.02 2 753 88 88 GLN HG2 H 2.49 0.02 2 754 88 88 GLN HG3 H 2.52 0.02 2 755 88 88 GLN C C 179.6 0.2 1 756 88 88 GLN CA C 59.0 0.2 1 757 88 88 GLN CB C 28.3 0.2 1 758 88 88 GLN CG C 33.8 0.2 1 759 88 88 GLN N N 120.8 0.2 1 760 88 88 GLN NE2 N 112.1 0.2 1 761 89 89 GLU H H 8.91 0.02 1 762 89 89 GLU HA H 4.29 0.02 1 763 89 89 GLU HB2 H 2.26 0.02 2 764 89 89 GLU HB3 H 2.84 0.02 2 765 89 89 GLU C C 179.3 0.2 1 766 89 89 GLU CA C 60.3 0.2 1 767 89 89 GLU CB C 30.4 0.2 1 768 89 89 GLU CG C 37.8 0.2 1 769 89 89 GLU N N 123.0 0.2 1 770 90 90 LEU H H 8.81 0.02 1 771 90 90 LEU HA H 4.30 0.02 1 772 90 90 LEU HB2 H 1.63 0.02 2 773 90 90 LEU HB3 H 1.99 0.02 2 774 90 90 LEU HD1 H 1.02 0.02 1 775 90 90 LEU HD2 H 1.06 0.02 1 776 90 90 LEU HG H 1.87 0.02 1 777 90 90 LEU C C 179.9 0.2 1 778 90 90 LEU CA C 58.5 0.2 1 779 90 90 LEU CB C 42.2 0.2 1 780 90 90 LEU CD1 C 25.7 0.2 1 781 90 90 LEU CD2 C 24.2 0.2 1 782 90 90 LEU CG C 27.2 0.2 1 783 90 90 LEU N N 120.6 0.2 1 784 91 91 LYS H H 7.99 0.02 1 785 91 91 LYS HA H 4.01 0.02 1 786 91 91 LYS HB2 H 1.97 0.02 2 787 91 91 LYS HB3 H 1.99 0.02 2 788 91 91 LYS C C 179.9 0.2 1 789 91 91 LYS CA C 60.0 0.2 1 790 91 91 LYS CB C 32.3 0.2 1 791 91 91 LYS CG C 25.2 0.2 1 792 91 91 LYS N N 121.1 0.2 1 793 92 92 GLU H H 8.26 0.02 1 794 92 92 GLU HA H 4.03 0.02 1 795 92 92 GLU HB2 H 1.99 0.02 2 796 92 92 GLU HB3 H 2.18 0.02 2 797 92 92 GLU HG2 H 2.29 0.02 2 798 92 92 GLU HG3 H 2.48 0.02 2 799 92 92 GLU C C 178.5 0.2 1 800 92 92 GLU CA C 59.0 0.2 1 801 92 92 GLU CB C 28.8 0.2 1 802 92 92 GLU CG C 36.0 0.2 1 803 92 92 GLU N N 122.3 0.2 1 804 93 93 PHE H H 8.94 0.02 1 805 93 93 PHE HA H 5.06 0.02 1 806 93 93 PHE HB2 H 3.36 0.02 2 807 93 93 PHE HB3 H 3.64 0.02 2 808 93 93 PHE HD1 H 7.36 0.02 3 809 93 93 PHE C C 177.9 0.2 1 810 93 93 PHE CA C 56.2 0.2 1 811 93 93 PHE CB C 38.8 0.2 1 812 93 93 PHE N N 119.7 0.2 1 813 94 94 LYS H H 8.03 0.02 1 814 94 94 LYS HA H 3.92 0.02 1 815 94 94 LYS HB2 H 1.84 0.02 2 816 94 94 LYS HB3 H 1.88 0.02 2 817 94 94 LYS C C 177.9 0.2 1 818 94 94 LYS CA C 59.2 0.2 1 819 94 94 LYS CB C 32.0 0.2 1 820 94 94 LYS CD C 28.9 0.2 1 821 94 94 LYS CE C 41.9 0.2 1 822 94 94 LYS CG C 24.7 0.2 1 823 94 94 LYS N N 118.2 0.2 1 824 95 95 ALA H H 7.15 0.02 1 825 95 95 ALA HA H 4.42 0.02 1 826 95 95 ALA HB H 1.51 0.02 1 827 95 95 ALA C C 177.6 0.2 1 828 95 95 ALA CA C 52.9 0.2 1 829 95 95 ALA CB C 20.2 0.2 1 830 95 95 ALA N N 118.4 0.2 1 831 96 96 GLY H H 8.39 0.02 1 832 96 96 GLY HA2 H 2.80 0.02 2 833 96 96 GLY HA3 H 4.21 0.02 2 834 96 96 GLY C C 169.6 0.2 1 835 96 96 GLY CA C 46.4 0.2 1 836 96 96 GLY N N 107.8 0.2 1 837 97 97 PHE H H 9.30 0.02 1 838 97 97 PHE HA H 4.55 0.02 1 839 97 97 PHE HB2 H 2.94 0.02 2 840 97 97 PHE HB3 H 3.52 0.02 2 841 97 97 PHE HD1 H 6.72 0.02 3 842 97 97 PHE C C 174.9 0.2 1 843 97 97 PHE CA C 57.6 0.2 1 844 97 97 PHE CB C 42.8 0.2 1 845 97 97 PHE CD1 C 132.5 0.2 3 846 97 97 PHE N N 105.8 0.2 1 847 98 98 LEU H H 7.54 0.02 1 848 98 98 LEU HA H 4.56 0.02 1 849 98 98 LEU HB2 H 1.02 0.02 2 850 98 98 LEU HB3 H 1.48 0.02 2 851 98 98 LEU HD1 H 0.59 0.02 1 852 98 98 LEU HD2 H 0.66 0.02 1 853 98 98 LEU HG H 1.13 0.02 1 854 98 98 LEU C C 175.7 0.2 1 855 98 98 LEU CA C 55.7 0.2 1 856 98 98 LEU CB C 42.4 0.2 1 857 98 98 LEU CD1 C 23.7 0.2 1 858 98 98 LEU CD2 C 26.1 0.2 1 859 98 98 LEU CG C 26.5 0.2 1 860 98 98 LEU N N 130.4 0.2 1 861 99 99 CYS H H 9.69 0.02 1 862 99 99 CYS HA H 4.83 0.02 1 863 99 99 CYS HB2 H 2.77 0.02 2 864 99 99 CYS HB3 H 2.83 0.02 2 865 99 99 CYS CA C 55.5 0.2 1 866 99 99 CYS CB C 30.0 0.2 1 867 99 99 CYS N N 125.3 0.2 1 868 100 100 PRO HA H 4.65 0.02 1 869 100 100 PRO HB2 H 1.76 0.02 2 870 100 100 PRO HB3 H 1.81 0.02 2 871 100 100 PRO HD2 H 3.32 0.02 2 872 100 100 PRO HD3 H 4.00 0.02 2 873 100 100 PRO HG2 H 1.58 0.02 2 874 100 100 PRO HG3 H 1.87 0.02 2 875 100 100 PRO CA C 62.6 0.2 1 876 100 100 PRO CB C 31.5 0.2 1 877 100 100 PRO CD C 49.5 0.2 1 878 100 100 PRO CG C 28.2 0.2 1 879 101 101 ASP HA H 4.43 0.02 1 880 101 101 ASP HB2 H 2.32 0.02 2 881 101 101 ASP HB3 H 2.82 0.02 2 882 101 101 ASP C C 177.1 0.2 1 883 101 101 ASP CA C 54.0 0.2 1 884 101 101 ASP CB C 40.4 0.2 1 885 102 102 LEU H H 7.97 0.02 1 886 102 102 LEU HA H 4.47 0.02 1 887 102 102 LEU HD1 H 0.63 0.02 1 888 102 102 LEU HD2 H 1.01 0.02 1 889 102 102 LEU HG H 1.91 0.02 1 890 102 102 LEU C C 176.4 0.2 1 891 102 102 LEU CA C 54.3 0.2 1 892 102 102 LEU CB C 39.9 0.2 1 893 102 102 LEU CD1 C 23.1 0.2 1 894 102 102 LEU CD2 C 26.2 0.2 1 895 102 102 LEU CG C 26.8 0.2 1 896 102 102 LEU N N 127.1 0.2 1 897 103 103 SER H H 8.86 0.02 1 898 103 103 SER HA H 4.29 0.02 1 899 103 103 SER HB2 H 3.76 0.02 2 900 103 103 SER HB3 H 3.92 0.02 2 901 103 103 SER C C 171.8 0.2 1 902 103 103 SER CA C 59.6 0.2 1 903 103 103 SER CB C 64.1 0.2 1 904 103 103 SER N N 116.5 0.2 1 905 104 104 ASP H H 6.51 0.02 1 906 104 104 ASP HA H 4.80 0.02 1 907 104 104 ASP HB2 H 2.47 0.02 2 908 104 104 ASP HB3 H 2.54 0.02 2 909 104 104 ASP C C 175.5 0.2 1 910 104 104 ASP CA C 51.7 0.2 1 911 104 104 ASP CB C 44.6 0.2 1 912 104 104 ASP N N 122.0 0.2 1 913 105 105 ALA H H 9.04 0.02 1 914 105 105 ALA HA H 3.87 0.02 1 915 105 105 ALA HB H 1.37 0.02 1 916 105 105 ALA CA C 55.6 0.2 1 917 105 105 ALA CB C 18.2 0.2 1 918 105 105 ALA N N 129.6 0.2 1 919 106 106 LYS H H 8.18 0.02 1 920 106 106 LYS C C 175.6 0.2 1 921 106 106 LYS CA C 58.7 0.2 1 922 106 106 LYS CB C 31.1 0.2 1 923 106 106 LYS CD C 28.6 0.2 1 924 106 106 LYS CG C 24.6 0.2 1 925 106 106 LYS N N 119.6 0.2 1 926 107 107 ASN H H 8.27 0.02 1 927 107 107 ASN HA H 4.56 0.02 1 928 107 107 ASN HB2 H 2.83 0.02 2 929 107 107 ASN HB3 H 3.17 0.02 2 930 107 107 ASN HD21 H 7.21 0.02 2 931 107 107 ASN HD22 H 9.29 0.02 2 932 107 107 ASN C C 177.7 0.2 1 933 107 107 ASN CA C 56.1 0.2 1 934 107 107 ASN CB C 39.7 0.2 1 935 107 107 ASN N N 121.4 0.2 1 936 107 107 ASN ND2 N 116.3 0.2 1 937 108 108 MET H H 8.52 0.02 1 938 108 108 MET HA H 4.32 0.02 1 939 108 108 MET HB2 H 2.11 0.02 2 940 108 108 MET HB3 H 2.27 0.02 2 941 108 108 MET HE H 2.15 0.02 1 942 108 108 MET HG2 H 2.54 0.02 2 943 108 108 MET HG3 H 2.96 0.02 2 944 108 108 MET C C 178.0 0.2 1 945 108 108 MET CA C 57.2 0.2 1 946 108 108 MET CB C 31.8 0.2 1 947 108 108 MET CE C 17.6 0.2 1 948 108 108 MET CG C 33.9 0.2 1 949 108 108 MET N N 116.4 0.2 1 950 109 109 GLU H H 7.68 0.02 1 951 109 109 GLU HA H 4.03 0.02 1 952 109 109 GLU HG2 H 2.15 0.02 2 953 109 109 GLU HG3 H 2.34 0.02 2 954 109 109 GLU C C 179.1 0.2 1 955 109 109 GLU CA C 59.6 0.2 1 956 109 109 GLU CB C 29.6 0.2 1 957 109 109 GLU CG C 36.2 0.2 1 958 109 109 GLU N N 120.4 0.2 1 959 110 110 PHE H H 7.88 0.02 1 960 110 110 PHE HA H 4.29 0.02 1 961 110 110 PHE HB2 H 3.09 0.02 2 962 110 110 PHE HB3 H 3.19 0.02 2 963 110 110 PHE HD1 H 7.26 0.02 3 964 110 110 PHE C C 178.8 0.2 1 965 110 110 PHE CA C 60.9 0.2 1 966 110 110 PHE CB C 38.3 0.2 1 967 110 110 PHE N N 118.5 0.2 1 968 111 111 LEU H H 8.64 0.02 1 969 111 111 LEU HA H 3.88 0.02 1 970 111 111 LEU HB2 H 1.31 0.02 2 971 111 111 LEU HB3 H 2.13 0.02 2 972 111 111 LEU HD1 H 0.72 0.02 1 973 111 111 LEU HD2 H 0.72 0.02 1 974 111 111 LEU HG H 1.28 0.02 1 975 111 111 LEU C C 178.7 0.2 1 976 111 111 LEU CA C 58.1 0.2 1 977 111 111 LEU CB C 41.9 0.2 1 978 111 111 LEU CD1 C 27.6 0.2 1 979 111 111 LEU CD2 C 24.2 0.2 1 980 111 111 LEU CG C 27.5 0.2 1 981 111 111 LEU N N 120.7 0.2 1 982 112 112 ARG H H 8.88 0.02 1 983 112 112 ARG HA H 3.87 0.02 1 984 112 112 ARG C C 178.4 0.2 1 985 112 112 ARG CA C 61.7 0.2 1 986 112 112 ARG CB C 30.5 0.2 1 987 112 112 ARG N N 116.9 0.2 1 988 113 113 ASN H H 7.51 0.02 1 989 113 113 ASN HA H 4.67 0.02 1 990 113 113 ASN HB2 H 2.66 0.02 2 991 113 113 ASN HB3 H 2.84 0.02 2 992 113 113 ASN HD21 H 6.96 0.02 2 993 113 113 ASN HD22 H 7.64 0.02 2 994 113 113 ASN C C 174.6 0.2 1 995 113 113 ASN CA C 53.3 0.2 1 996 113 113 ASN CB C 40.0 0.2 1 997 113 113 ASN N N 113.5 0.2 1 998 113 113 ASN ND2 N 114.4 0.2 1 999 114 114 TRP H H 7.49 0.02 1 1000 114 114 TRP HA H 4.37 0.02 1 1001 114 114 TRP HB2 H 3.21 0.02 2 1002 114 114 TRP HB3 H 3.31 0.02 2 1003 114 114 TRP HD1 H 7.17 0.02 1 1004 114 114 TRP HE1 H 10.30 0.02 1 1005 114 114 TRP HE3 H 7.41 0.02 1 1006 114 114 TRP HH2 H 7.01 0.02 1 1007 114 114 TRP HZ2 H 6.94 0.02 1 1008 114 114 TRP HZ3 H 6.71 0.02 1 1009 114 114 TRP C C 176.4 0.2 1 1010 114 114 TRP CA C 58.5 0.2 1 1011 114 114 TRP CB C 27.3 0.2 1 1012 114 114 TRP CD1 C 126.1 0.2 1 1013 114 114 TRP CE3 C 120.9 0.2 1 1014 114 114 TRP CH2 C 124.4 0.2 1 1015 114 114 TRP CZ2 C 114.9 0.2 1 1016 114 114 TRP CZ3 C 122.5 0.2 1 1017 114 114 TRP N N 123.9 0.2 1 1018 114 114 TRP NE1 N 130.2 0.2 1 1019 115 115 ASN H H 7.74 0.02 1 1020 115 115 ASN HA H 4.28 0.02 1 1021 115 115 ASN HB2 H 2.72 0.02 2 1022 115 115 ASN HB3 H 3.08 0.02 2 1023 115 115 ASN HD21 H 6.74 0.02 2 1024 115 115 ASN HD22 H 7.69 0.02 2 1025 115 115 ASN CA C 52.5 0.2 1 1026 115 115 ASN CB C 37.9 0.2 1 1027 115 115 ASN N N 127.3 0.2 1 1028 115 115 ASN ND2 N 111.4 0.2 1 1029 116 116 GLY HA2 H 1.26 0.02 2 1030 116 116 GLY HA3 H 3.38 0.02 2 1031 116 116 GLY C C 173.9 0.2 1 1032 116 116 GLY CA C 44.9 0.2 1 1033 117 117 THR H H 7.04 0.02 1 1034 117 117 THR HA H 4.39 0.02 1 1035 117 117 THR HB H 4.32 0.02 1 1036 117 117 THR HG2 H 1.04 0.02 1 1037 117 117 THR C C 176.3 0.2 1 1038 117 117 THR CA C 61.3 0.2 1 1039 117 117 THR CB C 70.8 0.2 1 1040 117 117 THR CG2 C 21.2 0.2 1 1041 117 117 THR N N 109.5 0.2 1 1042 118 118 PHE H H 9.11 0.02 1 1043 118 118 PHE HA H 4.41 0.02 1 1044 118 118 PHE HB2 H 3.17 0.02 2 1045 118 118 PHE HB3 H 3.22 0.02 2 1046 118 118 PHE HD1 H 7.26 0.02 3 1047 118 118 PHE C C 178.4 0.2 1 1048 118 118 PHE CA C 61.0 0.2 1 1049 118 118 PHE CB C 39.1 0.2 1 1050 118 118 PHE CD1 C 131.6 0.2 1 1051 118 118 PHE N N 124.4 0.2 1 1052 119 119 GLY H H 8.79 0.02 1 1053 119 119 GLY HA2 H 3.82 0.02 2 1054 119 119 GLY HA3 H 3.97 0.02 2 1055 119 119 GLY C C 174.9 0.2 1 1056 119 119 GLY CA C 46.7 0.2 1 1057 119 119 GLY N N 107.4 0.2 1 1058 120 120 LEU H H 7.36 0.02 1 1059 120 120 LEU HA H 4.55 0.02 1 1060 120 120 LEU HB2 H 1.72 0.02 2 1061 120 120 LEU HB3 H 1.84 0.02 2 1062 120 120 LEU HD1 H 0.92 0.02 1 1063 120 120 LEU HD2 H 0.80 0.02 1 1064 120 120 LEU HG H 1.67 0.02 1 1065 120 120 LEU C C 178.3 0.2 1 1066 120 120 LEU CA C 55.0 0.2 1 1067 120 120 LEU CB C 42.5 0.2 1 1068 120 120 LEU CD1 C 25.0 0.2 1 1069 120 120 LEU CD2 C 23.1 0.2 1 1070 120 120 LEU CG C 27.3 0.2 1 1071 120 120 LEU N N 118.0 0.2 1 1072 121 121 LEU H H 7.97 0.02 1 1073 121 121 LEU HA H 3.82 0.02 1 1074 121 121 LEU HB2 H 1.45 0.02 2 1075 121 121 LEU HB3 H 1.63 0.02 2 1076 121 121 LEU HD1 H 0.38 0.02 1 1077 121 121 LEU HD2 H 0.62 0.02 1 1078 121 121 LEU HG H 1.60 0.02 1 1079 121 121 LEU C C 177.6 0.2 1 1080 121 121 LEU CA C 57.1 0.2 1 1081 121 121 LEU CB C 41.4 0.2 1 1082 121 121 LEU CD1 C 23.6 0.2 1 1083 121 121 LEU CD2 C 25.1 0.2 1 1084 121 121 LEU CG C 26.9 0.2 1 1085 121 121 LEU N N 121.0 0.2 1 1086 122 122 ASN H H 7.77 0.02 1 1087 122 122 ASN HA H 4.38 0.02 1 1088 122 122 ASN HB2 H 2.74 0.02 2 1089 122 122 ASN HB3 H 2.80 0.02 2 1090 122 122 ASN HD21 H 6.75 0.02 2 1091 122 122 ASN HD22 H 7.52 0.02 2 1092 122 122 ASN C C 175.6 0.2 1 1093 122 122 ASN CA C 55.0 0.2 1 1094 122 122 ASN CB C 37.8 0.2 1 1095 122 122 ASN N N 115.2 0.2 1 1096 122 122 ASN ND2 N 112.3 0.2 1 1097 123 123 THR H H 7.38 0.02 1 1098 123 123 THR HA H 3.96 0.02 1 1099 123 123 THR HB H 3.72 0.02 1 1100 123 123 THR HG2 H 0.91 0.02 1 1101 123 123 THR C C 173.8 0.2 1 1102 123 123 THR CA C 62.4 0.2 1 1103 123 123 THR CB C 69.6 0.2 1 1104 123 123 THR CG2 C 21.7 0.2 1 1105 123 123 THR N N 110.6 0.2 1 1106 124 124 LEU H H 7.30 0.02 1 1107 124 124 LEU HA H 4.16 0.02 1 1108 124 124 LEU HB2 H 1.28 0.02 2 1109 124 124 LEU HB3 H 1.34 0.02 2 1110 124 124 LEU HD1 H 0.54 0.02 1 1111 124 124 LEU HD2 H 0.53 0.02 1 1112 124 124 LEU HG H 1.36 0.02 1 1113 124 124 LEU C C 175.5 0.2 1 1114 124 124 LEU CA C 54.2 0.2 1 1115 124 124 LEU CB C 43.3 0.2 1 1116 124 124 LEU CD1 C 26.1 0.2 1 1117 124 124 LEU CD2 C 25.3 0.2 1 1118 124 124 LEU CG C 26.4 0.2 1 1119 124 124 LEU N N 122.0 0.2 1 1120 125 125 ARG H H 9.15 0.02 1 1121 125 125 ARG HA H 4.34 0.02 1 1122 125 125 ARG HB2 H 1.64 0.02 2 1123 125 125 ARG HB3 H 1.71 0.02 2 1124 125 125 ARG HD2 H 3.15 0.02 2 1125 125 125 ARG HD3 H 3.23 0.02 2 1126 125 125 ARG HG2 H 1.45 0.02 2 1127 125 125 ARG HG3 H 1.65 0.02 2 1128 125 125 ARG C C 176.2 0.2 1 1129 125 125 ARG CA C 56.2 0.2 1 1130 125 125 ARG CB C 30.6 0.2 1 1131 125 125 ARG CD C 43.4 0.2 1 1132 125 125 ARG CG C 28.0 0.2 1 1133 125 125 ARG N N 125.1 0.2 1 1134 126 126 LEU H H 8.89 0.02 1 1135 126 126 LEU HA H 4.75 0.02 1 1136 126 126 LEU HB2 H 1.01 0.02 2 1137 126 126 LEU HB3 H 1.62 0.02 2 1138 126 126 LEU HD1 H 0.34 0.02 1 1139 126 126 LEU HD2 H 0.61 0.02 1 1140 126 126 LEU HG H 1.43 0.02 1 1141 126 126 LEU C C 175.8 0.2 1 1142 126 126 LEU CA C 53.7 0.2 1 1143 126 126 LEU CB C 43.0 0.2 1 1144 126 126 LEU CD1 C 22.4 0.2 1 1145 126 126 LEU CD2 C 25.4 0.2 1 1146 126 126 LEU CG C 26.7 0.2 1 1147 126 126 LEU N N 128.1 0.2 1 1148 127 127 ILE H H 9.03 0.02 1 1149 127 127 ILE HA H 4.54 0.02 1 1150 127 127 ILE HB H 1.87 0.02 1 1151 127 127 ILE HD1 H 0.57 0.02 1 1152 127 127 ILE HG12 H 0.76 0.02 2 1153 127 127 ILE HG13 H 1.11 0.02 2 1154 127 127 ILE HG2 H 0.83 0.02 1 1155 127 127 ILE C C 172.9 0.2 1 1156 127 127 ILE CA C 59.3 0.2 1 1157 127 127 ILE CB C 42.9 0.2 1 1158 127 127 ILE CD1 C 15.0 0.2 1 1159 127 127 ILE CG1 C 25.2 0.2 1 1160 127 127 ILE CG2 C 18.5 0.2 1 1161 127 127 ILE N N 117.6 0.2 1 1162 128 128 ARG H H 8.47 0.02 1 1163 128 128 ARG HA H 5.12 0.02 1 1164 128 128 ARG HB2 H 2.20 0.02 2 1165 128 128 ARG HB3 H 2.25 0.02 2 1166 128 128 ARG HD2 H 2.94 0.02 2 1167 128 128 ARG HD3 H 3.03 0.02 2 1168 128 128 ARG HG2 H 1.01 0.02 2 1169 128 128 ARG HG3 H 1.54 0.02 2 1170 128 128 ARG C C 175.4 0.2 1 1171 128 128 ARG CA C 54.7 0.2 1 1172 128 128 ARG CB C 32.8 0.2 1 1173 128 128 ARG CG C 29.2 0.2 1 1174 128 128 ARG N N 117.5 0.2 1 1175 129 129 ILE H H 8.10 0.02 1 1176 129 129 ILE HA H 4.78 0.02 1 1177 129 129 ILE HB H 1.53 0.02 1 1178 129 129 ILE HD1 H 0.58 0.02 1 1179 129 129 ILE HG12 H 0.43 0.02 2 1180 129 129 ILE HG13 H 1.17 0.02 2 1181 129 129 ILE HG2 H 0.89 0.02 1 1182 129 129 ILE C C 177.1 0.2 1 1183 129 129 ILE CA C 59.0 0.2 1 1184 129 129 ILE CB C 40.9 0.2 1 1185 129 129 ILE CD1 C 12.7 0.2 1 1186 129 129 ILE CG1 C 27.4 0.2 1 1187 129 129 ILE CG2 C 16.6 0.2 1 1188 129 129 ILE N N 123.0 0.2 1 1189 130 130 ASN H H 8.97 0.02 1 1190 130 130 ASN HA H 5.81 0.02 1 1191 130 130 ASN HB2 H 2.35 0.02 2 1192 130 130 ASN HB3 H 3.34 0.02 2 1193 130 130 ASN C C 176.6 0.2 1 1194 130 130 ASN CA C 50.8 0.2 1 1195 130 130 ASN CB C 39.6 0.2 1 1196 130 130 ASN N N 126.7 0.2 1 1197 131 131 ASP H H 6.88 0.02 1 1198 131 131 ASP HA H 3.02 0.02 1 1199 131 131 ASP HB2 H 0.73 0.02 2 1200 131 131 ASP HB3 H 2.00 0.02 2 1201 131 131 ASP C C 176.9 0.2 1 1202 131 131 ASP CA C 55.6 0.2 1 1203 131 131 ASP CB C 38.2 0.2 1 1204 131 131 ASP N N 116.4 0.2 1 1205 132 132 LYS H H 7.42 0.02 1 1206 132 132 LYS HA H 4.27 0.02 1 1207 132 132 LYS HB2 H 1.63 0.02 2 1208 132 132 LYS HB3 H 1.90 0.02 2 1209 132 132 LYS HG2 H 1.23 0.02 2 1210 132 132 LYS HG3 H 1.30 0.02 2 1211 132 132 LYS C C 177.4 0.2 1 1212 132 132 LYS CA C 55.4 0.2 1 1213 132 132 LYS CB C 32.2 0.2 1 1214 132 132 LYS CD C 28.5 0.2 1 1215 132 132 LYS CE C 42.0 0.2 1 1216 132 132 LYS CG C 24.8 0.2 1 1217 132 132 LYS N N 119.3 0.2 1 1218 133 133 GLY H H 8.63 0.02 1 1219 133 133 GLY HA2 H 3.23 0.02 2 1220 133 133 GLY HA3 H 3.95 0.02 2 1221 133 133 GLY C C 172.3 0.2 1 1222 133 133 GLY CA C 45.8 0.2 1 1223 133 133 GLY N N 108.5 0.2 1 1224 134 134 GLU H H 7.58 0.02 1 1225 134 134 GLU HA H 4.42 0.02 1 1226 134 134 GLU HB2 H 1.82 0.02 2 1227 134 134 GLU HB3 H 1.87 0.02 2 1228 134 134 GLU C C 175.5 0.2 1 1229 134 134 GLU CA C 53.9 0.2 1 1230 134 134 GLU CB C 30.8 0.2 1 1231 134 134 GLU CG C 35.7 0.2 1 1232 134 134 GLU N N 117.3 0.2 1 1233 135 135 GLN H H 8.77 0.02 1 1234 135 135 GLN HA H 4.80 0.02 1 1235 135 135 GLN HB2 H 1.61 0.02 2 1236 135 135 GLN HB3 H 1.88 0.02 2 1237 135 135 GLN HE21 H 7.09 0.02 2 1238 135 135 GLN HE22 H 7.49 0.02 2 1239 135 135 GLN HG2 H 2.13 0.02 2 1240 135 135 GLN HG3 H 2.29 0.02 2 1241 135 135 GLN C C 175.9 0.2 1 1242 135 135 GLN CA C 55.1 0.2 1 1243 135 135 GLN CB C 27.9 0.2 1 1244 135 135 GLN CG C 33.7 0.2 1 1245 135 135 GLN N N 122.3 0.2 1 1246 135 135 GLN NE2 N 110.8 0.2 1 1247 136 136 VAL H H 8.45 0.02 1 1248 136 136 VAL HA H 4.20 0.02 1 1249 136 136 VAL HB H 1.81 0.02 1 1250 136 136 VAL HG1 H 0.90 0.02 1 1251 136 136 VAL HG2 H 0.87 0.02 1 1252 136 136 VAL C C 175.8 0.2 1 1253 136 136 VAL CA C 61.6 0.2 1 1254 136 136 VAL CB C 33.6 0.2 1 1255 136 136 VAL CG1 C 20.9 0.2 1 1256 136 136 VAL CG2 C 20.7 0.2 1 1257 136 136 VAL N N 128.1 0.2 1 1258 137 137 VAL H H 8.57 0.02 1 1259 137 137 VAL HA H 4.20 0.02 1 1260 137 137 VAL HB H 2.06 0.02 1 1261 137 137 VAL HG1 H 0.89 0.02 1 1262 137 137 VAL HG2 H 0.91 0.02 1 1263 137 137 VAL C C 176.3 0.2 1 1264 137 137 VAL CA C 62.1 0.2 1 1265 137 137 VAL CB C 33.2 0.2 1 1266 137 137 VAL CG1 C 20.3 0.2 1 1267 137 137 VAL CG2 C 21.0 0.2 1 1268 137 137 VAL N N 125.9 0.2 1 1269 138 138 GLY H H 8.51 0.02 1 1270 138 138 GLY C C 174.2 0.2 1 1271 138 138 GLY CA C 45.0 0.2 1 1272 138 138 GLY N N 112.3 0.2 1 1273 139 139 GLY H H 8.42 0.02 1 1274 139 139 GLY C C 173.9 0.2 1 1275 139 139 GLY CA C 45.2 0.2 1 1276 139 139 GLY N N 108.9 0.2 1 1277 140 140 ASN H H 8.45 0.02 1 1278 140 140 ASN HD21 H 6.88 0.02 2 1279 140 140 ASN HD22 H 7.58 0.02 2 1280 140 140 ASN C C 174.3 0.2 1 1281 140 140 ASN CA C 53.3 0.2 1 1282 140 140 ASN CB C 39.1 0.2 1 1283 140 140 ASN N N 118.7 0.2 1 1284 140 140 ASN ND2 N 113.2 0.2 1 1285 141 141 GLU H H 8.03 0.02 1 1286 141 141 GLU CA C 58.2 0.2 1 1287 141 141 GLU CB C 30.9 0.2 1 1288 141 141 GLU N N 125.7 0.2 1 stop_ save_