data_17835 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NOT AVAILABLE ; _BMRB_accession_number 17835 _BMRB_flat_file_name bmr17835.str _Entry_type original _Submission_date 2011-08-06 _Accession_date 2011-08-06 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cui G. . . 2 Botuyan M.V. . . 3 Mer G. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 467 "13C chemical shifts" 357 "15N chemical shifts" 84 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-03-25 update BMRB 'update entry citation' 2012-04-30 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (15)N and (13)C resonance assignments for the three LOTUS RNA binding domains of Tudor domain-containing protein TDRD7.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22481467 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cui Gaofeng . . 2 Botuyan 'Maria Victoria' . . 3 Mer Georges . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 7 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 79 _Page_last 83 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name TDRD7 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TDRD7 $TDRD7 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_TDRD7 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TDRD7 _Molecular_mass 8681.178 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 78 _Mol_residue_sequence ; GHMLEADLVSKMLRAVLQSH KNGIVLPRLQGEYRSLTGDW IPFKQLGYPTLEAYLRSVPA VVRIEASRSGEIVCYAVA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 HIS 3 34 MET 4 35 LEU 5 36 GLU 6 37 ALA 7 38 ASP 8 39 LEU 9 40 VAL 10 41 SER 11 42 LYS 12 43 MET 13 44 LEU 14 45 ARG 15 46 ALA 16 47 VAL 17 48 LEU 18 49 GLN 19 50 SER 20 51 HIS 21 52 LYS 22 53 ASN 23 54 GLY 24 55 ILE 25 56 VAL 26 57 LEU 27 58 PRO 28 59 ARG 29 60 LEU 30 61 GLN 31 62 GLY 32 63 GLU 33 64 TYR 34 65 ARG 35 66 SER 36 67 LEU 37 68 THR 38 69 GLY 39 70 ASP 40 71 TRP 41 72 ILE 42 73 PRO 43 74 PHE 44 75 LYS 45 76 GLN 46 77 LEU 47 78 GLY 48 79 TYR 49 80 PRO 50 81 THR 51 82 LEU 52 83 GLU 53 84 ALA 54 85 TYR 55 86 LEU 56 87 ARG 57 88 SER 58 89 VAL 59 90 PRO 60 91 ALA 61 92 VAL 62 93 VAL 63 94 ARG 64 95 ILE 65 96 GLU 66 97 ALA 67 98 SER 68 99 ARG 69 100 SER 70 101 GLY 71 102 GLU 72 103 ILE 73 104 VAL 74 105 CYS 75 106 TYR 76 107 ALA 77 108 VAL 78 109 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LH9 "Nmr Structure Of The First Lotus Domain Of Tudor Domain-Containing Protein 7" 100.00 78 100.00 100.00 6.31e-49 DBJ BAA82968 "tudor repeat associator with PCTAIRE 2 [Rattus norvegicus]" 97.44 1113 100.00 100.00 4.90e-42 DBJ BAE36321 "unnamed protein product [Mus musculus]" 97.44 296 100.00 100.00 8.54e-45 GB AAH29689 "Tudor domain containing 7 [Mus musculus]" 97.44 1086 100.00 100.00 4.63e-42 GB AAH90066 "Tdrd7 protein [Rattus norvegicus]" 97.44 1086 100.00 100.00 4.36e-42 GB EDL02384 "tudor domain containing 7 [Mus musculus]" 97.44 959 100.00 100.00 3.49e-42 GB EDL98827 "tudor domain containing 7, isoform CRA_a [Rattus norvegicus]" 97.44 1113 100.00 100.00 4.90e-42 REF NP_001277404 "tudor domain-containing protein 7 isoform 1 [Mus musculus]" 100.00 1119 97.44 97.44 4.67e-42 REF NP_620226 "tudor domain-containing protein 7 [Rattus norvegicus]" 97.44 1113 100.00 100.00 4.90e-42 REF NP_666254 "tudor domain-containing protein 7 isoform 2 [Mus musculus]" 97.44 1086 100.00 100.00 4.63e-42 REF XP_004581240 "PREDICTED: tudor domain-containing protein 7 [Ochotona princeps]" 97.44 1063 97.37 97.37 2.76e-41 REF XP_006238169 "PREDICTED: tudor domain-containing protein 7 isoform X1 [Rattus norvegicus]" 100.00 1146 97.44 97.44 4.68e-42 SP Q8K1H1 "RecName: Full=Tudor domain-containing protein 7; AltName: Full=PCTAIRE2-binding protein; AltName: Full=Tudor repeat associator " 97.44 1086 100.00 100.00 4.63e-42 SP Q9R1R4 "RecName: Full=Tudor domain-containing protein 7; AltName: Full=PCTAIRE2-binding protein; AltName: Full=Tudor repeat associator " 97.44 1113 100.00 100.00 4.90e-42 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $TDRD7 Mouse 10090 Eukaryota Metazoa Mus musculus 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 $TDRD7 'recombinant technology' . Escherichia coli 'BL21 (DE3) Rosetta' pTEV 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 $TDRD7 1.5 mM '[U-100% 15N]' 'sodium acetate' 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TDRD7 1.5 mM '[U-100% 13C; U-100% 15N]' 'sodium acetate' 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_SANE _Saveframe_category software _Name SANE _Version . loop_ _Vendor _Address _Electronic_address 'Duggan, Legge, Dyson & Wright' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _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_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_CCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _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' 0 . mM pH 4.3 . 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 carbon' ppm 0 na direct . . . 1.0 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 NH3 N 15 nitrogen ppm 0 na direct . . . 1.0 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-13C HSQC' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name TDRD7 _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 -2 1 GLY HA2 H 3.805 0.03 2 2 -2 1 GLY HA3 H 3.805 0.03 2 3 -2 1 GLY C C 169.904 0.30 1 4 -2 1 GLY CA C 43.187 0.30 1 5 -1 2 HIS H H 8.832 0.03 1 6 -1 2 HIS HA H 4.748 0.03 1 7 -1 2 HIS HB2 H 3.230 0.03 2 8 -1 2 HIS HB3 H 3.142 0.03 2 9 -1 2 HIS HD2 H 7.261 0.03 1 10 -1 2 HIS C C 174.241 0.30 1 11 -1 2 HIS CA C 55.307 0.30 1 12 -1 2 HIS CB C 29.267 0.30 1 13 -1 2 HIS CD2 C 120.069 0.30 1 14 -1 2 HIS N N 118.114 0.30 1 15 34 3 MET H H 8.649 0.03 1 16 34 3 MET HA H 4.417 0.03 1 17 34 3 MET HB2 H 2.012 0.03 2 18 34 3 MET HB3 H 2.012 0.03 2 19 34 3 MET HG2 H 2.521 0.03 2 20 34 3 MET HG3 H 2.564 0.03 2 21 34 3 MET HE H 1.958 0.03 1 22 34 3 MET C C 175.939 0.30 1 23 34 3 MET CA C 55.834 0.30 1 24 34 3 MET CB C 33.092 0.30 1 25 34 3 MET CG C 31.749 0.30 1 26 34 3 MET CE C 17.429 0.30 1 27 34 3 MET N N 122.922 0.30 1 28 35 4 LEU H H 8.636 0.03 1 29 35 4 LEU HA H 4.299 0.03 1 30 35 4 LEU HB2 H 1.643 0.03 2 31 35 4 LEU HB3 H 1.643 0.03 2 32 35 4 LEU HG H 1.647 0.03 1 33 35 4 LEU HD1 H 0.911 0.03 2 34 35 4 LEU HD2 H 0.871 0.03 2 35 35 4 LEU C C 177.892 0.30 1 36 35 4 LEU CA C 55.749 0.30 1 37 35 4 LEU CB C 42.001 0.30 1 38 35 4 LEU CG C 27.096 0.30 1 39 35 4 LEU CD1 C 24.787 0.30 1 40 35 4 LEU CD2 C 23.694 0.30 1 41 35 4 LEU N N 124.907 0.30 1 42 36 5 GLU H H 8.594 0.03 1 43 36 5 GLU HA H 4.172 0.03 1 44 36 5 GLU HB2 H 2.098 0.03 2 45 36 5 GLU HB3 H 2.021 0.03 2 46 36 5 GLU HG2 H 2.359 0.03 2 47 36 5 GLU HG3 H 2.359 0.03 2 48 36 5 GLU C C 177.481 0.30 1 49 36 5 GLU CA C 58.106 0.30 1 50 36 5 GLU CB C 28.874 0.30 1 51 36 5 GLU CG C 34.130 0.30 1 52 36 5 GLU N N 122.649 0.30 1 53 37 6 ALA H H 8.744 0.03 1 54 37 6 ALA HA H 3.944 0.03 1 55 37 6 ALA HB H 1.538 0.03 1 56 37 6 ALA C C 180.419 0.30 1 57 37 6 ALA CA C 55.686 0.30 1 58 37 6 ALA CB C 18.587 0.30 1 59 37 6 ALA N N 121.929 0.30 1 60 38 7 ASP H H 8.071 0.03 1 61 38 7 ASP HA H 4.482 0.03 1 62 38 7 ASP HB2 H 2.782 0.03 2 63 38 7 ASP HB3 H 2.737 0.03 2 64 38 7 ASP C C 178.010 0.30 1 65 38 7 ASP CA C 56.603 0.30 1 66 38 7 ASP CB C 40.353 0.30 1 67 38 7 ASP N N 117.514 0.30 1 68 39 8 LEU H H 7.713 0.03 1 69 39 8 LEU HA H 4.165 0.03 1 70 39 8 LEU HB2 H 1.839 0.03 2 71 39 8 LEU HB3 H 1.720 0.03 2 72 39 8 LEU HG H 1.651 0.03 1 73 39 8 LEU HD1 H 0.913 0.03 2 74 39 8 LEU HD2 H 0.913 0.03 2 75 39 8 LEU C C 178.699 0.30 1 76 39 8 LEU CA C 57.986 0.30 1 77 39 8 LEU CB C 41.675 0.30 1 78 39 8 LEU CG C 27.019 0.30 1 79 39 8 LEU CD1 C 24.338 0.30 1 80 39 8 LEU CD2 C 24.338 0.30 1 81 39 8 LEU N N 122.640 0.30 1 82 40 9 VAL H H 8.115 0.03 1 83 40 9 VAL HA H 4.025 0.03 1 84 40 9 VAL HB H 2.003 0.03 1 85 40 9 VAL HG1 H 0.907 0.03 2 86 40 9 VAL HG2 H 0.988 0.03 2 87 40 9 VAL C C 178.570 0.30 1 88 40 9 VAL CA C 65.683 0.30 1 89 40 9 VAL CB C 31.841 0.30 1 90 40 9 VAL CG1 C 20.979 0.30 1 91 40 9 VAL CG2 C 22.633 0.30 1 92 40 9 VAL N N 119.303 0.30 1 93 41 10 SER H H 7.796 0.03 1 94 41 10 SER HA H 4.042 0.03 1 95 41 10 SER HB2 H 4.042 0.03 2 96 41 10 SER HB3 H 4.042 0.03 2 97 41 10 SER C C 176.364 0.30 1 98 41 10 SER CA C 62.600 0.30 1 99 41 10 SER CB C 61.596 0.30 1 100 41 10 SER N N 113.146 0.30 1 101 42 11 LYS H H 7.754 0.03 1 102 42 11 LYS HA H 4.044 0.03 1 103 42 11 LYS HB2 H 2.008 0.03 2 104 42 11 LYS HB3 H 2.008 0.03 2 105 42 11 LYS HG2 H 1.605 0.03 2 106 42 11 LYS HG3 H 1.366 0.03 2 107 42 11 LYS HD2 H 1.645 0.03 2 108 42 11 LYS HD3 H 1.645 0.03 2 109 42 11 LYS HE2 H 2.937 0.03 2 110 42 11 LYS HE3 H 2.937 0.03 2 111 42 11 LYS C C 180.048 0.30 1 112 42 11 LYS CA C 60.002 0.30 1 113 42 11 LYS CB C 32.839 0.30 1 114 42 11 LYS CG C 25.397 0.30 1 115 42 11 LYS CD C 29.721 0.30 1 116 42 11 LYS CE C 42.066 0.30 1 117 42 11 LYS N N 121.690 0.30 1 118 43 12 MET H H 8.451 0.03 1 119 43 12 MET HA H 4.420 0.03 1 120 43 12 MET HB2 H 2.548 0.03 2 121 43 12 MET HB3 H 1.576 0.03 2 122 43 12 MET HG2 H 2.737 0.03 2 123 43 12 MET HG3 H 2.622 0.03 2 124 43 12 MET HE H 2.061 0.03 1 125 43 12 MET C C 178.151 0.30 1 126 43 12 MET CA C 57.095 0.30 1 127 43 12 MET CB C 31.599 0.30 1 128 43 12 MET CG C 32.610 0.30 1 129 43 12 MET CE C 16.970 0.30 1 130 43 12 MET N N 119.794 0.30 1 131 44 13 LEU H H 9.301 0.03 1 132 44 13 LEU HA H 4.207 0.03 1 133 44 13 LEU HB2 H 1.797 0.03 2 134 44 13 LEU HB3 H 1.952 0.03 2 135 44 13 LEU HG H 1.637 0.03 1 136 44 13 LEU HD1 H 0.911 0.03 2 137 44 13 LEU HD2 H 0.911 0.03 2 138 44 13 LEU C C 178.526 0.30 1 139 44 13 LEU CA C 58.178 0.30 1 140 44 13 LEU CB C 42.148 0.30 1 141 44 13 LEU CG C 26.398 0.30 1 142 44 13 LEU CD1 C 24.489 0.30 1 143 44 13 LEU CD2 C 24.489 0.30 1 144 44 13 LEU N N 122.035 0.30 1 145 45 14 ARG H H 8.248 0.03 1 146 45 14 ARG HA H 3.839 0.03 1 147 45 14 ARG HB2 H 2.011 0.03 2 148 45 14 ARG HB3 H 2.011 0.03 2 149 45 14 ARG HG2 H 1.885 0.03 2 150 45 14 ARG HG3 H 1.885 0.03 2 151 45 14 ARG HD2 H 3.308 0.03 2 152 45 14 ARG HD3 H 3.206 0.03 2 153 45 14 ARG HE H 7.538 0.03 1 154 45 14 ARG C C 177.951 0.30 1 155 45 14 ARG CA C 60.500 0.30 1 156 45 14 ARG CB C 29.966 0.30 1 157 45 14 ARG CG C 27.772 0.30 1 158 45 14 ARG CD C 43.682 0.30 1 159 45 14 ARG N N 118.150 0.30 1 160 45 14 ARG NE N 84.672 0.30 1 161 46 15 ALA H H 7.587 0.03 1 162 46 15 ALA HA H 4.150 0.03 1 163 46 15 ALA HB H 1.534 0.03 1 164 46 15 ALA C C 181.072 0.30 1 165 46 15 ALA CA C 55.371 0.30 1 166 46 15 ALA CB C 17.845 0.30 1 167 46 15 ALA N N 120.291 0.30 1 168 47 16 VAL H H 8.324 0.03 1 169 47 16 VAL HA H 3.858 0.03 1 170 47 16 VAL HB H 2.332 0.03 1 171 47 16 VAL HG1 H 0.953 0.03 2 172 47 16 VAL HG2 H 1.113 0.03 2 173 47 16 VAL C C 178.531 0.30 1 174 47 16 VAL CA C 65.552 0.30 1 175 47 16 VAL CB C 32.190 0.30 1 176 47 16 VAL CG1 C 21.535 0.30 1 177 47 16 VAL CG2 C 24.212 0.30 1 178 47 16 VAL N N 119.183 0.30 1 179 48 17 LEU H H 8.388 0.03 1 180 48 17 LEU HA H 3.985 0.03 1 181 48 17 LEU HB2 H 1.957 0.03 2 182 48 17 LEU HB3 H 1.415 0.03 2 183 48 17 LEU HG H 1.731 0.03 1 184 48 17 LEU HD1 H 0.763 0.03 2 185 48 17 LEU HD2 H 0.585 0.03 2 186 48 17 LEU C C 179.935 0.30 1 187 48 17 LEU CA C 58.474 0.30 1 188 48 17 LEU CB C 41.885 0.30 1 189 48 17 LEU CG C 27.249 0.30 1 190 48 17 LEU CD1 C 27.568 0.30 1 191 48 17 LEU CD2 C 23.084 0.30 1 192 48 17 LEU N N 120.498 0.30 1 193 49 18 GLN H H 8.689 0.03 1 194 49 18 GLN HA H 3.981 0.03 1 195 49 18 GLN HB2 H 2.217 0.03 2 196 49 18 GLN HB3 H 2.048 0.03 2 197 49 18 GLN HG2 H 2.554 0.03 2 198 49 18 GLN HG3 H 2.414 0.03 2 199 49 18 GLN HE21 H 6.829 0.03 2 200 49 18 GLN HE22 H 7.506 0.03 2 201 49 18 GLN C C 177.304 0.30 1 202 49 18 GLN CA C 58.668 0.30 1 203 49 18 GLN CB C 28.274 0.30 1 204 49 18 GLN CG C 34.130 0.30 1 205 49 18 GLN N N 117.835 0.30 1 206 49 18 GLN NE2 N 111.485 0.30 1 207 50 19 SER H H 7.461 0.03 1 208 50 19 SER HA H 4.386 0.03 1 209 50 19 SER HB2 H 4.003 0.03 2 210 50 19 SER HB3 H 3.833 0.03 2 211 50 19 SER C C 173.630 0.30 1 212 50 19 SER CA C 59.252 0.30 1 213 50 19 SER CB C 63.600 0.30 1 214 50 19 SER N N 111.043 0.30 1 215 51 20 HIS H H 7.692 0.03 1 216 51 20 HIS HA H 4.824 0.03 1 217 51 20 HIS HB2 H 3.094 0.03 2 218 51 20 HIS HB3 H 2.894 0.03 2 219 51 20 HIS HD2 H 7.515 0.03 1 220 51 20 HIS HE1 H 8.584 0.03 1 221 51 20 HIS C C 174.835 0.30 1 222 51 20 HIS CA C 54.386 0.30 1 223 51 20 HIS CB C 28.657 0.30 1 224 51 20 HIS CD2 C 120.864 0.30 1 225 51 20 HIS CE1 C 136.410 0.30 1 226 51 20 HIS N N 121.324 0.30 1 227 52 21 LYS H H 8.809 0.03 1 228 52 21 LYS HA H 4.161 0.03 1 229 52 21 LYS HB2 H 1.856 0.03 2 230 52 21 LYS HB3 H 1.856 0.03 2 231 52 21 LYS HG2 H 1.496 0.03 2 232 52 21 LYS HG3 H 1.496 0.03 2 233 52 21 LYS HD2 H 1.720 0.03 2 234 52 21 LYS HD3 H 1.528 0.03 2 235 52 21 LYS HE2 H 3.012 0.03 2 236 52 21 LYS HE3 H 3.012 0.03 2 237 52 21 LYS C C 177.562 0.30 1 238 52 21 LYS CA C 59.316 0.30 1 239 52 21 LYS CB C 32.202 0.30 1 240 52 21 LYS CG C 24.843 0.30 1 241 52 21 LYS CD C 28.920 0.30 1 242 52 21 LYS CE C 42.104 0.30 1 243 52 21 LYS N N 123.925 0.30 1 244 53 22 ASN H H 8.784 0.03 1 245 53 22 ASN HA H 5.073 0.03 1 246 53 22 ASN HB2 H 3.066 0.03 2 247 53 22 ASN HB3 H 2.778 0.03 2 248 53 22 ASN HD21 H 6.993 0.03 2 249 53 22 ASN HD22 H 7.675 0.03 2 250 53 22 ASN C C 174.783 0.30 1 251 53 22 ASN CA C 52.835 0.30 1 252 53 22 ASN CB C 38.540 0.30 1 253 53 22 ASN N N 115.473 0.30 1 254 53 22 ASN ND2 N 113.216 0.30 1 255 54 23 GLY H H 7.743 0.03 1 256 54 23 GLY HA2 H 3.669 0.03 2 257 54 23 GLY HA3 H 3.388 0.03 2 258 54 23 GLY C C 172.572 0.30 1 259 54 23 GLY CA C 44.739 0.30 1 260 54 23 GLY N N 107.402 0.30 1 261 55 24 ILE H H 8.509 0.03 1 262 55 24 ILE HA H 4.272 0.03 1 263 55 24 ILE HB H 1.085 0.03 1 264 55 24 ILE HG12 H 1.279 0.03 1 265 55 24 ILE HG13 H 0.539 0.03 1 266 55 24 ILE HG2 H 0.628 0.03 1 267 55 24 ILE HD1 H 0.272 0.03 1 268 55 24 ILE C C 175.452 0.30 1 269 55 24 ILE CA C 59.468 0.30 1 270 55 24 ILE CB C 41.833 0.30 1 271 55 24 ILE CG1 C 27.110 0.30 1 272 55 24 ILE CG2 C 16.046 0.30 1 273 55 24 ILE CD1 C 14.332 0.30 1 274 55 24 ILE N N 117.796 0.30 1 275 56 25 VAL H H 8.524 0.03 1 276 56 25 VAL HA H 4.585 0.03 1 277 56 25 VAL HB H 2.214 0.03 1 278 56 25 VAL HG1 H 0.970 0.03 2 279 56 25 VAL HG2 H 0.991 0.03 2 280 56 25 VAL C C 177.566 0.30 1 281 56 25 VAL CA C 62.227 0.30 1 282 56 25 VAL CB C 31.945 0.30 1 283 56 25 VAL CG1 C 19.684 0.30 1 284 56 25 VAL CG2 C 21.844 0.30 1 285 56 25 VAL N N 124.597 0.30 1 286 57 26 LEU H H 8.816 0.03 1 287 57 26 LEU HA H 4.011 0.03 1 288 57 26 LEU HB2 H 1.963 0.03 2 289 57 26 LEU HB3 H 1.249 0.03 2 290 57 26 LEU HG H 1.560 0.03 1 291 57 26 LEU HD1 H 0.777 0.03 2 292 57 26 LEU HD2 H 0.668 0.03 2 293 57 26 LEU C C 175.569 0.30 1 294 57 26 LEU CA C 60.394 0.30 1 295 57 26 LEU CB C 39.402 0.30 1 296 57 26 LEU CG C 26.992 0.30 1 297 57 26 LEU CD1 C 25.822 0.30 1 298 57 26 LEU CD2 C 25.034 0.30 1 299 57 26 LEU N N 124.858 0.30 1 300 58 27 PRO HA H 4.401 0.03 1 301 58 27 PRO HB2 H 2.402 0.03 2 302 58 27 PRO HB3 H 1.804 0.03 2 303 58 27 PRO HG2 H 2.016 0.03 2 304 58 27 PRO HG3 H 1.968 0.03 2 305 58 27 PRO HD2 H 3.849 0.03 2 306 58 27 PRO HD3 H 3.631 0.03 2 307 58 27 PRO C C 177.600 0.30 1 308 58 27 PRO CA C 65.549 0.30 1 309 58 27 PRO CB C 31.458 0.30 1 310 58 27 PRO CG C 28.172 0.30 1 311 58 27 PRO CD C 50.690 0.30 1 312 59 28 ARG H H 7.869 0.03 1 313 59 28 ARG HA H 4.511 0.03 1 314 59 28 ARG HB2 H 2.055 0.03 2 315 59 28 ARG HB3 H 1.775 0.03 2 316 59 28 ARG HG2 H 1.614 0.03 2 317 59 28 ARG HG3 H 1.543 0.03 2 318 59 28 ARG HD2 H 3.225 0.03 2 319 59 28 ARG HD3 H 3.173 0.03 2 320 59 28 ARG HE H 7.408 0.03 1 321 59 28 ARG C C 177.152 0.30 1 322 59 28 ARG CA C 55.853 0.30 1 323 59 28 ARG CB C 30.981 0.30 1 324 59 28 ARG CG C 27.582 0.30 1 325 59 28 ARG CD C 42.700 0.30 1 326 59 28 ARG N N 115.136 0.30 1 327 59 28 ARG NE N 84.124 0.30 1 328 60 29 LEU H H 7.870 0.03 1 329 60 29 LEU HA H 3.842 0.03 1 330 60 29 LEU HB2 H 1.955 0.03 2 331 60 29 LEU HB3 H 1.308 0.03 2 332 60 29 LEU HG H 1.537 0.03 1 333 60 29 LEU HD1 H 0.808 0.03 2 334 60 29 LEU HD2 H 0.808 0.03 2 335 60 29 LEU C C 177.872 0.30 1 336 60 29 LEU CA C 59.458 0.30 1 337 60 29 LEU CB C 42.326 0.30 1 338 60 29 LEU CG C 27.261 0.30 1 339 60 29 LEU CD1 C 23.724 0.30 1 340 60 29 LEU CD2 C 23.724 0.30 1 341 60 29 LEU N N 122.984 0.30 1 342 61 30 GLN H H 9.217 0.03 1 343 61 30 GLN HA H 4.689 0.03 1 344 61 30 GLN HB2 H 2.462 0.03 2 345 61 30 GLN HB3 H 2.020 0.03 2 346 61 30 GLN HG2 H 2.553 0.03 2 347 61 30 GLN HG3 H 2.393 0.03 2 348 61 30 GLN HE21 H 6.443 0.03 2 349 61 30 GLN HE22 H 7.770 0.03 2 350 61 30 GLN C C 178.888 0.30 1 351 61 30 GLN CA C 60.243 0.30 1 352 61 30 GLN CB C 27.811 0.30 1 353 61 30 GLN CG C 32.368 0.30 1 354 61 30 GLN N N 117.382 0.30 1 355 61 30 GLN NE2 N 105.739 0.30 1 356 62 31 GLY H H 8.680 0.03 1 357 62 31 GLY HA2 H 4.062 0.03 2 358 62 31 GLY HA3 H 3.959 0.03 2 359 62 31 GLY C C 177.579 0.30 1 360 62 31 GLY CA C 47.254 0.30 1 361 62 31 GLY N N 105.066 0.30 1 362 63 32 GLU H H 8.063 0.03 1 363 63 32 GLU HA H 4.274 0.03 1 364 63 32 GLU HB2 H 2.022 0.03 2 365 63 32 GLU HB3 H 1.893 0.03 2 366 63 32 GLU HG2 H 2.140 0.03 2 367 63 32 GLU HG3 H 2.413 0.03 2 368 63 32 GLU C C 179.316 0.30 1 369 63 32 GLU CA C 59.068 0.30 1 370 63 32 GLU CB C 29.077 0.30 1 371 63 32 GLU CG C 35.568 0.30 1 372 63 32 GLU N N 121.593 0.30 1 373 64 33 TYR H H 9.063 0.03 1 374 64 33 TYR HA H 4.083 0.03 1 375 64 33 TYR HB2 H 3.495 0.03 2 376 64 33 TYR HB3 H 2.777 0.03 2 377 64 33 TYR HD1 H 7.031 0.03 3 378 64 33 TYR HD2 H 7.031 0.03 3 379 64 33 TYR HE1 H 6.613 0.03 3 380 64 33 TYR HE2 H 6.613 0.03 3 381 64 33 TYR C C 178.379 0.30 1 382 64 33 TYR CA C 62.406 0.30 1 383 64 33 TYR CB C 39.405 0.30 1 384 64 33 TYR CD1 C 130.674 0.30 3 385 64 33 TYR CD2 C 130.674 0.30 3 386 64 33 TYR CE1 C 118.471 0.30 3 387 64 33 TYR CE2 C 118.471 0.30 3 388 64 33 TYR N N 123.143 0.30 1 389 65 34 ARG H H 9.321 0.03 1 390 65 34 ARG HA H 4.281 0.03 1 391 65 34 ARG HB2 H 1.573 0.03 2 392 65 34 ARG HB3 H 1.391 0.03 2 393 65 34 ARG HG2 H 0.943 0.03 2 394 65 34 ARG HG3 H 0.443 0.03 2 395 65 34 ARG HD2 H 1.041 0.03 2 396 65 34 ARG HD3 H 1.719 0.03 2 397 65 34 ARG HE H 6.497 0.03 1 398 65 34 ARG C C 180.186 0.30 1 399 65 34 ARG CA C 58.908 0.30 1 400 65 34 ARG CB C 29.708 0.30 1 401 65 34 ARG CG C 26.848 0.30 1 402 65 34 ARG CD C 41.879 0.30 1 403 65 34 ARG N N 123.458 0.30 1 404 65 34 ARG NE N 85.173 0.30 1 405 66 35 SER H H 8.078 0.03 1 406 66 35 SER HA H 4.048 0.03 1 407 66 35 SER HB2 H 3.996 0.03 2 408 66 35 SER HB3 H 3.944 0.03 2 409 66 35 SER C C 175.063 0.30 1 410 66 35 SER CA C 61.856 0.30 1 411 66 35 SER CB C 62.779 0.30 1 412 66 35 SER N N 116.071 0.30 1 413 67 36 LEU H H 7.167 0.03 1 414 67 36 LEU HA H 4.342 0.03 1 415 67 36 LEU HB2 H 1.627 0.03 2 416 67 36 LEU HB3 H 1.507 0.03 2 417 67 36 LEU HG H 1.411 0.03 1 418 67 36 LEU HD1 H 0.806 0.03 2 419 67 36 LEU HD2 H 0.873 0.03 2 420 67 36 LEU C C 178.400 0.30 1 421 67 36 LEU CA C 57.073 0.30 1 422 67 36 LEU CB C 43.132 0.30 1 423 67 36 LEU CG C 27.290 0.30 1 424 67 36 LEU CD1 C 26.089 0.30 1 425 67 36 LEU CD2 C 23.577 0.30 1 426 67 36 LEU N N 118.571 0.30 1 427 68 37 THR H H 8.168 0.03 1 428 68 37 THR HA H 4.163 0.03 1 429 68 37 THR HB H 4.124 0.03 1 430 68 37 THR HG2 H 0.574 0.03 1 431 68 37 THR C C 176.259 0.30 1 432 68 37 THR CA C 62.637 0.30 1 433 68 37 THR CB C 71.659 0.30 1 434 68 37 THR CG2 C 19.752 0.30 1 435 68 37 THR N N 106.425 0.30 1 436 69 38 GLY H H 8.759 0.03 1 437 69 38 GLY HA2 H 4.210 0.03 2 438 69 38 GLY HA3 H 3.515 0.03 2 439 69 38 GLY C C 172.464 0.30 1 440 69 38 GLY CA C 45.225 0.30 1 441 69 38 GLY N N 112.162 0.30 1 442 70 39 ASP H H 8.414 0.03 1 443 70 39 ASP HA H 4.733 0.03 1 444 70 39 ASP HB2 H 2.896 0.03 2 445 70 39 ASP HB3 H 2.468 0.03 2 446 70 39 ASP C C 173.861 0.30 1 447 70 39 ASP CA C 52.159 0.30 1 448 70 39 ASP CB C 44.573 0.30 1 449 70 39 ASP N N 121.106 0.30 1 450 71 40 TRP H H 8.016 0.03 1 451 71 40 TRP HA H 5.107 0.03 1 452 71 40 TRP HB2 H 3.370 0.03 2 453 71 40 TRP HB3 H 2.798 0.03 2 454 71 40 TRP HD1 H 7.280 0.03 1 455 71 40 TRP HE1 H 10.273 0.03 1 456 71 40 TRP HE3 H 7.850 0.03 1 457 71 40 TRP HZ2 H 7.464 0.03 1 458 71 40 TRP HZ3 H 6.827 0.03 1 459 71 40 TRP HH2 H 7.227 0.03 1 460 71 40 TRP C C 177.125 0.30 1 461 71 40 TRP CA C 54.889 0.30 1 462 71 40 TRP CB C 31.592 0.30 1 463 71 40 TRP CD1 C 128.240 0.30 1 464 71 40 TRP CE3 C 121.982 0.30 1 465 71 40 TRP CZ2 C 115.147 0.30 1 466 71 40 TRP CZ3 C 121.823 0.30 1 467 71 40 TRP CH2 C 125.415 0.30 1 468 71 40 TRP N N 115.206 0.30 1 469 71 40 TRP NE1 N 129.390 0.30 1 470 72 41 ILE H H 10.079 0.03 1 471 72 41 ILE HA H 3.512 0.03 1 472 72 41 ILE HB H 1.619 0.03 1 473 72 41 ILE HG12 H 1.038 0.03 1 474 72 41 ILE HG13 H -0.716 0.03 1 475 72 41 ILE HG2 H 0.384 0.03 1 476 72 41 ILE HD1 H 0.520 0.03 1 477 72 41 ILE C C 177.199 0.30 1 478 72 41 ILE CA C 60.467 0.30 1 479 72 41 ILE CB C 38.133 0.30 1 480 72 41 ILE CG1 C 27.054 0.30 1 481 72 41 ILE CG2 C 16.604 0.30 1 482 72 41 ILE CD1 C 14.873 0.30 1 483 72 41 ILE N N 123.723 0.30 1 484 73 42 PRO HA H 4.600 0.03 1 485 73 42 PRO HB2 H 2.239 0.03 2 486 73 42 PRO HB3 H 1.760 0.03 2 487 73 42 PRO HG2 H 2.072 0.03 2 488 73 42 PRO HG3 H 1.636 0.03 2 489 73 42 PRO HD2 H 4.231 0.03 2 490 73 42 PRO HD3 H 3.200 0.03 2 491 73 42 PRO C C 174.997 0.30 1 492 73 42 PRO CA C 62.511 0.30 1 493 73 42 PRO CB C 27.857 0.30 1 494 73 42 PRO CG C 26.815 0.30 1 495 73 42 PRO CD C 50.619 0.30 1 496 74 43 PHE H H 7.647 0.03 1 497 74 43 PHE HA H 3.737 0.03 1 498 74 43 PHE HB2 H 3.056 0.03 2 499 74 43 PHE HB3 H 2.451 0.03 2 500 74 43 PHE HD1 H 7.223 0.03 3 501 74 43 PHE HD2 H 7.223 0.03 3 502 74 43 PHE HE1 H 7.349 0.03 3 503 74 43 PHE HE2 H 7.349 0.03 3 504 74 43 PHE C C 175.891 0.30 1 505 74 43 PHE CA C 60.911 0.30 1 506 74 43 PHE CB C 38.412 0.30 1 507 74 43 PHE CD1 C 131.316 0.30 3 508 74 43 PHE CD2 C 131.316 0.30 3 509 74 43 PHE CE1 C 131.164 0.30 3 510 74 43 PHE CE2 C 131.164 0.30 3 511 74 43 PHE N N 118.808 0.30 1 512 75 44 LYS H H 7.387 0.03 1 513 75 44 LYS HA H 4.763 0.03 1 514 75 44 LYS HB2 H 1.423 0.03 2 515 75 44 LYS HB3 H 1.327 0.03 2 516 75 44 LYS HG2 H 1.205 0.03 2 517 75 44 LYS HG3 H 1.205 0.03 2 518 75 44 LYS HD2 H 1.591 0.03 2 519 75 44 LYS HD3 H 1.591 0.03 2 520 75 44 LYS HE2 H 2.931 0.03 2 521 75 44 LYS HE3 H 2.931 0.03 2 522 75 44 LYS C C 181.828 0.30 1 523 75 44 LYS CA C 58.959 0.30 1 524 75 44 LYS CB C 31.599 0.30 1 525 75 44 LYS CG C 25.141 0.30 1 526 75 44 LYS CD C 28.954 0.30 1 527 75 44 LYS CE C 42.046 0.30 1 528 75 44 LYS N N 123.543 0.30 1 529 76 45 GLN H H 8.567 0.03 1 530 76 45 GLN HA H 3.896 0.03 1 531 76 45 GLN HB2 H 2.040 0.03 2 532 76 45 GLN HB3 H 2.040 0.03 2 533 76 45 GLN HG2 H 2.488 0.03 2 534 76 45 GLN HG3 H 2.334 0.03 2 535 76 45 GLN HE21 H 6.933 0.03 2 536 76 45 GLN HE22 H 7.563 0.03 2 537 76 45 GLN C C 178.167 0.30 1 538 76 45 GLN CA C 59.066 0.30 1 539 76 45 GLN CB C 27.702 0.30 1 540 76 45 GLN CG C 34.172 0.30 1 541 76 45 GLN N N 123.171 0.30 1 542 76 45 GLN NE2 N 112.456 0.30 1 543 77 46 LEU H H 7.544 0.03 1 544 77 46 LEU HA H 4.255 0.03 1 545 77 46 LEU HB2 H 1.834 0.03 2 546 77 46 LEU HB3 H 1.834 0.03 2 547 77 46 LEU HG H 1.661 0.03 1 548 77 46 LEU HD1 H 0.299 0.03 2 549 77 46 LEU HD2 H 0.780 0.03 2 550 77 46 LEU C C 176.103 0.30 1 551 77 46 LEU CA C 55.308 0.30 1 552 77 46 LEU CB C 41.374 0.30 1 553 77 46 LEU CG C 26.159 0.30 1 554 77 46 LEU CD1 C 25.332 0.30 1 555 77 46 LEU CD2 C 22.244 0.30 1 556 77 46 LEU N N 116.472 0.30 1 557 78 47 GLY H H 7.741 0.03 1 558 78 47 GLY HA2 H 4.054 0.03 2 559 78 47 GLY HA3 H 3.528 0.03 2 560 78 47 GLY C C 173.844 0.30 1 561 78 47 GLY CA C 44.826 0.30 1 562 78 47 GLY N N 104.932 0.30 1 563 79 48 TYR H H 8.332 0.03 1 564 79 48 TYR HA H 4.839 0.03 1 565 79 48 TYR HB2 H 3.088 0.03 2 566 79 48 TYR HB3 H 2.758 0.03 2 567 79 48 TYR HD1 H 7.021 0.03 3 568 79 48 TYR HD2 H 7.021 0.03 3 569 79 48 TYR HE1 H 6.854 0.03 3 570 79 48 TYR HE2 H 6.854 0.03 3 571 79 48 TYR C C 174.575 0.30 1 572 79 48 TYR CA C 56.349 0.30 1 573 79 48 TYR CB C 41.464 0.30 1 574 79 48 TYR CD1 C 132.905 0.30 3 575 79 48 TYR CD2 C 132.905 0.30 3 576 79 48 TYR CE1 C 118.759 0.30 3 577 79 48 TYR CE2 C 118.759 0.30 3 578 79 48 TYR N N 119.946 0.30 1 579 80 49 PRO HA H 4.556 0.03 1 580 80 49 PRO HB2 H 2.335 0.03 2 581 80 49 PRO HB3 H 2.092 0.03 2 582 80 49 PRO HG2 H 2.236 0.03 2 583 80 49 PRO HG3 H 2.073 0.03 2 584 80 49 PRO HD2 H 3.865 0.03 2 585 80 49 PRO HD3 H 3.865 0.03 2 586 80 49 PRO C C 177.125 0.30 1 587 80 49 PRO CA C 64.115 0.30 1 588 80 49 PRO CB C 32.152 0.30 1 589 80 49 PRO CG C 27.206 0.30 1 590 80 49 PRO CD C 50.818 0.30 1 591 81 50 THR H H 6.939 0.03 1 592 81 50 THR HA H 4.129 0.03 1 593 81 50 THR HB H 4.315 0.03 1 594 81 50 THR HG2 H 1.109 0.03 1 595 81 50 THR C C 173.270 0.30 1 596 81 50 THR CA C 58.738 0.30 1 597 81 50 THR CB C 73.254 0.30 1 598 81 50 THR CG2 C 21.861 0.30 1 599 81 50 THR N N 105.643 0.30 1 600 82 51 LEU H H 7.849 0.03 1 601 82 51 LEU HA H 3.325 0.03 1 602 82 51 LEU HB2 H 1.437 0.03 2 603 82 51 LEU HB3 H 0.956 0.03 2 604 82 51 LEU HG H 0.939 0.03 1 605 82 51 LEU HD1 H 0.945 0.03 2 606 82 51 LEU HD2 H 0.945 0.03 2 607 82 51 LEU C C 178.195 0.30 1 608 82 51 LEU CA C 57.551 0.30 1 609 82 51 LEU CB C 40.517 0.30 1 610 82 51 LEU CG C 26.895 0.30 1 611 82 51 LEU CD1 C 24.016 0.30 1 612 82 51 LEU CD2 C 24.016 0.30 1 613 82 51 LEU N N 121.743 0.30 1 614 83 52 GLU H H 8.981 0.03 1 615 83 52 GLU HA H 3.411 0.03 1 616 83 52 GLU HB2 H 1.893 0.03 2 617 83 52 GLU HB3 H 1.738 0.03 2 618 83 52 GLU HG2 H 2.149 0.03 2 619 83 52 GLU HG3 H 1.965 0.03 2 620 83 52 GLU C C 176.853 0.30 1 621 83 52 GLU CA C 60.720 0.30 1 622 83 52 GLU CB C 28.696 0.30 1 623 83 52 GLU CG C 35.906 0.30 1 624 83 52 GLU N N 118.706 0.30 1 625 84 53 ALA H H 8.001 0.03 1 626 84 53 ALA HA H 3.885 0.03 1 627 84 53 ALA HB H 1.580 0.03 1 628 84 53 ALA C C 180.232 0.30 1 629 84 53 ALA CA C 55.127 0.30 1 630 84 53 ALA CB C 18.345 0.30 1 631 84 53 ALA N N 119.673 0.30 1 632 85 54 TYR H H 7.218 0.03 1 633 85 54 TYR HA H 2.898 0.03 1 634 85 54 TYR HB2 H 2.898 0.03 2 635 85 54 TYR HB3 H 2.898 0.03 2 636 85 54 TYR HD1 H 6.535 0.03 3 637 85 54 TYR HD2 H 6.535 0.03 3 638 85 54 TYR HE1 H 6.381 0.03 3 639 85 54 TYR HE2 H 6.381 0.03 3 640 85 54 TYR C C 178.563 0.30 1 641 85 54 TYR CA C 59.876 0.30 1 642 85 54 TYR CB C 37.365 0.30 1 643 85 54 TYR CD1 C 131.770 0.30 3 644 85 54 TYR CD2 C 131.770 0.30 3 645 85 54 TYR CE1 C 117.836 0.30 3 646 85 54 TYR CE2 C 117.836 0.30 3 647 85 54 TYR N N 117.474 0.30 1 648 86 55 LEU H H 8.440 0.03 1 649 86 55 LEU HA H 3.221 0.03 1 650 86 55 LEU HB2 H 1.691 0.03 2 651 86 55 LEU HB3 H 0.997 0.03 2 652 86 55 LEU HG H 1.787 0.03 1 653 86 55 LEU HD1 H 0.626 0.03 2 654 86 55 LEU HD2 H 0.602 0.03 2 655 86 55 LEU C C 179.706 0.30 1 656 86 55 LEU CA C 57.334 0.30 1 657 86 55 LEU CB C 40.788 0.30 1 658 86 55 LEU CG C 25.944 0.30 1 659 86 55 LEU CD1 C 27.772 0.30 1 660 86 55 LEU CD2 C 22.648 0.30 1 661 86 55 LEU N N 121.106 0.30 1 662 87 56 ARG H H 7.998 0.03 1 663 87 56 ARG HA H 3.722 0.03 1 664 87 56 ARG HB2 H 1.640 0.03 2 665 87 56 ARG HB3 H 1.640 0.03 2 666 87 56 ARG HG2 H 1.756 0.03 2 667 87 56 ARG HG3 H 1.756 0.03 2 668 87 56 ARG HD2 H 3.125 0.03 2 669 87 56 ARG HD3 H 3.004 0.03 2 670 87 56 ARG HE H 7.686 0.03 1 671 87 56 ARG C C 176.071 0.30 1 672 87 56 ARG CA C 58.463 0.30 1 673 87 56 ARG CB C 29.735 0.30 1 674 87 56 ARG CG C 29.684 0.30 1 675 87 56 ARG CD C 43.083 0.30 1 676 87 56 ARG N N 116.303 0.30 1 677 87 56 ARG NE N 84.918 0.30 1 678 88 57 SER H H 7.491 0.03 1 679 88 57 SER HA H 4.357 0.03 1 680 88 57 SER HB2 H 4.094 0.03 2 681 88 57 SER HB3 H 3.615 0.03 2 682 88 57 SER C C 173.970 0.30 1 683 88 57 SER CA C 59.762 0.30 1 684 88 57 SER CB C 63.886 0.30 1 685 88 57 SER N N 115.365 0.30 1 686 89 58 VAL H H 6.729 0.03 1 687 89 58 VAL HA H 5.090 0.03 1 688 89 58 VAL HB H 2.098 0.03 1 689 89 58 VAL HG1 H 0.531 0.03 2 690 89 58 VAL HG2 H 0.716 0.03 2 691 89 58 VAL C C 174.276 0.30 1 692 89 58 VAL CA C 58.444 0.30 1 693 89 58 VAL CB C 31.559 0.30 1 694 89 58 VAL CG1 C 17.877 0.30 1 695 89 58 VAL CG2 C 21.816 0.30 1 696 89 58 VAL N N 113.059 0.30 1 697 90 59 PRO HA H 4.902 0.03 1 698 90 59 PRO HB2 H 2.218 0.03 2 699 90 59 PRO HB3 H 2.004 0.03 2 700 90 59 PRO HG2 H 1.989 0.03 2 701 90 59 PRO HG3 H 1.829 0.03 2 702 90 59 PRO HD2 H 3.638 0.03 2 703 90 59 PRO HD3 H 3.254 0.03 2 704 90 59 PRO C C 177.563 0.30 1 705 90 59 PRO CA C 64.541 0.30 1 706 90 59 PRO CB C 31.768 0.30 1 707 90 59 PRO CG C 26.955 0.30 1 708 90 59 PRO CD C 51.058 0.30 1 709 91 60 ALA H H 8.397 0.03 1 710 91 60 ALA HA H 4.327 0.03 1 711 91 60 ALA HB H 1.369 0.03 1 712 91 60 ALA C C 177.191 0.30 1 713 91 60 ALA CA C 52.795 0.30 1 714 91 60 ALA CB C 18.427 0.30 1 715 91 60 ALA N N 120.004 0.30 1 716 92 61 VAL H H 8.080 0.03 1 717 92 61 VAL HA H 4.032 0.03 1 718 92 61 VAL HB H 2.092 0.03 1 719 92 61 VAL HG1 H 0.931 0.03 2 720 92 61 VAL HG2 H 0.931 0.03 2 721 92 61 VAL C C 174.238 0.30 1 722 92 61 VAL CA C 63.741 0.30 1 723 92 61 VAL CB C 34.115 0.30 1 724 92 61 VAL CG1 C 21.642 0.30 1 725 92 61 VAL CG2 C 21.642 0.30 1 726 92 61 VAL N N 116.635 0.30 1 727 93 62 VAL H H 7.791 0.03 1 728 93 62 VAL HA H 4.911 0.03 1 729 93 62 VAL HB H 1.670 0.03 1 730 93 62 VAL HG1 H 0.768 0.03 2 731 93 62 VAL HG2 H 0.811 0.03 2 732 93 62 VAL C C 172.258 0.30 1 733 93 62 VAL CA C 59.006 0.30 1 734 93 62 VAL CB C 35.461 0.30 1 735 93 62 VAL CG1 C 21.422 0.30 1 736 93 62 VAL CG2 C 22.894 0.30 1 737 93 62 VAL N N 117.153 0.30 1 738 94 63 ARG H H 9.208 0.03 1 739 94 63 ARG HA H 4.727 0.03 1 740 94 63 ARG HB2 H 1.650 0.03 2 741 94 63 ARG HB3 H 1.650 0.03 2 742 94 63 ARG HG2 H 1.528 0.03 2 743 94 63 ARG HG3 H 1.291 0.03 2 744 94 63 ARG HD2 H 3.234 0.03 2 745 94 63 ARG HD3 H 3.041 0.03 2 746 94 63 ARG HE H 7.314 0.03 1 747 94 63 ARG C C 174.437 0.30 1 748 94 63 ARG CA C 54.117 0.30 1 749 94 63 ARG CB C 32.754 0.30 1 750 94 63 ARG CG C 27.959 0.30 1 751 94 63 ARG CD C 43.083 0.30 1 752 94 63 ARG N N 129.658 0.30 1 753 94 63 ARG NE N 82.673 0.30 1 754 95 64 ILE H H 8.736 0.03 1 755 95 64 ILE HA H 4.917 0.03 1 756 95 64 ILE HB H 1.626 0.03 1 757 95 64 ILE HG12 H 1.365 0.03 1 758 95 64 ILE HG13 H 0.951 0.03 1 759 95 64 ILE HG2 H 0.712 0.03 1 760 95 64 ILE HD1 H 0.619 0.03 1 761 95 64 ILE C C 175.842 0.30 1 762 95 64 ILE CA C 59.545 0.30 1 763 95 64 ILE CB C 39.645 0.30 1 764 95 64 ILE CG1 C 27.234 0.30 1 765 95 64 ILE CG2 C 18.197 0.30 1 766 95 64 ILE CD1 C 13.688 0.30 1 767 95 64 ILE N N 125.775 0.30 1 768 96 65 GLU H H 9.197 0.03 1 769 96 65 GLU HA H 4.677 0.03 1 770 96 65 GLU HB2 H 2.169 0.03 2 771 96 65 GLU HB3 H 1.860 0.03 2 772 96 65 GLU HG2 H 2.211 0.03 2 773 96 65 GLU HG3 H 2.211 0.03 2 774 96 65 GLU C C 174.409 0.30 1 775 96 65 GLU CA C 54.791 0.30 1 776 96 65 GLU CB C 33.078 0.30 1 777 96 65 GLU CG C 35.214 0.30 1 778 96 65 GLU N N 127.114 0.30 1 779 97 66 ALA H H 8.779 0.03 1 780 97 66 ALA HA H 5.026 0.03 1 781 97 66 ALA HB H 1.256 0.03 1 782 97 66 ALA C C 177.717 0.30 1 783 97 66 ALA CA C 51.070 0.30 1 784 97 66 ALA CB C 19.550 0.30 1 785 97 66 ALA N N 127.913 0.30 1 786 98 67 SER H H 8.951 0.03 1 787 98 67 SER HA H 4.665 0.03 1 788 98 67 SER HB2 H 4.244 0.03 2 789 98 67 SER HB3 H 3.949 0.03 2 790 98 67 SER C C 176.518 0.30 1 791 98 67 SER CA C 57.096 0.30 1 792 98 67 SER CB C 65.234 0.30 1 793 98 67 SER N N 119.364 0.30 1 794 99 68 ARG H H 9.075 0.03 1 795 99 68 ARG HA H 4.153 0.03 1 796 99 68 ARG HB2 H 1.893 0.03 2 797 99 68 ARG HB3 H 1.893 0.03 2 798 99 68 ARG HG2 H 1.728 0.03 2 799 99 68 ARG HG3 H 1.728 0.03 2 800 99 68 ARG HD2 H 3.226 0.03 2 801 99 68 ARG HD3 H 3.226 0.03 2 802 99 68 ARG HE H 7.230 0.03 1 803 99 68 ARG C C 177.356 0.30 1 804 99 68 ARG CA C 58.973 0.30 1 805 99 68 ARG CB C 29.659 0.30 1 806 99 68 ARG CG C 26.975 0.30 1 807 99 68 ARG CD C 43.242 0.30 1 808 99 68 ARG N N 123.143 0.30 1 809 99 68 ARG NE N 84.206 0.30 1 810 100 69 SER H H 8.083 0.03 1 811 100 69 SER HA H 4.416 0.03 1 812 100 69 SER HB2 H 4.062 0.03 2 813 100 69 SER HB3 H 3.811 0.03 2 814 100 69 SER C C 175.146 0.30 1 815 100 69 SER CA C 58.413 0.30 1 816 100 69 SER CB C 63.477 0.30 1 817 100 69 SER N N 112.081 0.30 1 818 101 70 GLY H H 7.974 0.03 1 819 101 70 GLY HA2 H 4.309 0.03 2 820 101 70 GLY HA3 H 3.580 0.03 2 821 101 70 GLY C C 174.116 0.30 1 822 101 70 GLY CA C 45.114 0.30 1 823 101 70 GLY N N 110.519 0.30 1 824 102 71 GLU H H 7.630 0.03 1 825 102 71 GLU HA H 4.289 0.03 1 826 102 71 GLU HB2 H 1.749 0.03 2 827 102 71 GLU HB3 H 1.884 0.03 2 828 102 71 GLU HG2 H 2.181 0.03 2 829 102 71 GLU HG3 H 2.140 0.03 2 830 102 71 GLU C C 175.352 0.30 1 831 102 71 GLU CA C 56.082 0.30 1 832 102 71 GLU CB C 30.517 0.30 1 833 102 71 GLU CG C 35.749 0.30 1 834 102 71 GLU N N 120.663 0.30 1 835 103 72 ILE H H 8.753 0.03 1 836 103 72 ILE HA H 4.367 0.03 1 837 103 72 ILE HB H 1.786 0.03 1 838 103 72 ILE HG12 H 1.530 0.03 1 839 103 72 ILE HG13 H 1.141 0.03 1 840 103 72 ILE HG2 H 0.706 0.03 1 841 103 72 ILE HD1 H 0.698 0.03 1 842 103 72 ILE C C 174.613 0.30 1 843 103 72 ILE CA C 60.876 0.30 1 844 103 72 ILE CB C 37.465 0.30 1 845 103 72 ILE CG1 C 27.454 0.30 1 846 103 72 ILE CG2 C 18.921 0.30 1 847 103 72 ILE CD1 C 11.665 0.30 1 848 103 72 ILE N N 125.775 0.30 1 849 104 73 VAL H H 8.724 0.03 1 850 104 73 VAL HA H 4.153 0.03 1 851 104 73 VAL HB H 1.868 0.03 1 852 104 73 VAL HG1 H 0.822 0.03 2 853 104 73 VAL HG2 H 0.363 0.03 2 854 104 73 VAL C C 173.544 0.30 1 855 104 73 VAL CA C 61.736 0.30 1 856 104 73 VAL CB C 33.763 0.30 1 857 104 73 VAL CG1 C 21.621 0.30 1 858 104 73 VAL CG2 C 21.744 0.30 1 859 104 73 VAL N N 128.300 0.30 1 860 105 74 CYS H H 8.200 0.03 1 861 105 74 CYS HA H 4.948 0.03 1 862 105 74 CYS HB2 H 2.820 0.03 2 863 105 74 CYS HB3 H 2.353 0.03 2 864 105 74 CYS C C 173.200 0.30 1 865 105 74 CYS CA C 57.176 0.30 1 866 105 74 CYS CB C 29.712 0.30 1 867 105 74 CYS N N 122.823 0.30 1 868 106 75 TYR H H 9.265 0.03 1 869 106 75 TYR HA H 5.013 0.03 1 870 106 75 TYR HB2 H 3.094 0.03 2 871 106 75 TYR HB3 H 2.533 0.03 2 872 106 75 TYR HD1 H 6.918 0.03 3 873 106 75 TYR HD2 H 6.918 0.03 3 874 106 75 TYR HE1 H 6.484 0.03 3 875 106 75 TYR HE2 H 6.484 0.03 3 876 106 75 TYR C C 175.779 0.30 1 877 106 75 TYR CA C 56.289 0.30 1 878 106 75 TYR CB C 42.505 0.30 1 879 106 75 TYR CD1 C 133.057 0.30 3 880 106 75 TYR CD2 C 133.057 0.30 3 881 106 75 TYR CE1 C 117.878 0.30 3 882 106 75 TYR CE2 C 117.878 0.30 3 883 106 75 TYR N N 119.584 0.30 1 884 107 76 ALA H H 9.145 0.03 1 885 107 76 ALA HA H 4.423 0.03 1 886 107 76 ALA HB H 1.332 0.03 1 887 107 76 ALA C C 177.907 0.30 1 888 107 76 ALA CA C 52.151 0.30 1 889 107 76 ALA CB C 18.915 0.30 1 890 107 76 ALA N N 122.844 0.30 1 891 108 77 VAL H H 7.894 0.03 1 892 108 77 VAL HA H 3.826 0.03 1 893 108 77 VAL HB H 1.603 0.03 1 894 108 77 VAL HG1 H 0.845 0.03 2 895 108 77 VAL HG2 H 0.845 0.03 2 896 108 77 VAL C C 174.995 0.30 1 897 108 77 VAL CA C 63.379 0.30 1 898 108 77 VAL CB C 32.715 0.30 1 899 108 77 VAL CG1 C 21.292 0.30 1 900 108 77 VAL CG2 C 21.292 0.30 1 901 108 77 VAL N N 123.434 0.30 1 902 109 78 ALA H H 8.049 0.03 1 903 109 78 ALA HA H 4.092 0.03 1 904 109 78 ALA HB H 1.307 0.03 1 905 109 78 ALA C C 182.127 0.30 1 906 109 78 ALA CA C 53.976 0.30 1 907 109 78 ALA CB C 20.008 0.30 1 908 109 78 ALA N N 133.558 0.30 1 stop_ save_