data_18880 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SOLUTION STRUCTURE OF THE SMALL DICTYOSTELIUM DISCOIDEIUM MYOSIN LIGHT CHAIN MlcB PROVIDES INSIGHTS INTO IQ-MOTIF RECOGNITION OF CLASS I MYOSIN MYO1B ; _BMRB_accession_number 18880 _BMRB_flat_file_name bmr18880.str _Entry_type original _Submission_date 2012-12-06 _Accession_date 2012-12-06 _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 Liburd Janine . . 2 Chitayat Seth . . 3 Crawley Scott W. . 4 Denis Christopher M. . 5 Cote Graham P. . 6 Smith Steven P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 441 "13C chemical shifts" 322 "15N chemical shifts" 85 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-05 update BMRB 'update entry citation' 2013-12-09 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure of the Small Dictyostelium discoideum Myosin Light Chain MlcB Provides Insights into MyoB IQ motif Recognition.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24790102 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liburd Janine . . 2 Chitayat Seth . . 3 Crawley Scott W. . 4 Munro Kim . . 5 Miller Emily . . 6 Denis Chris M. . 7 Spencer Holly L. . 8 Cote Graham P. . 9 Smith Steven P. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _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 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name MlcB _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MlcB $MlcB 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_MlcB _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MlcB _Molecular_mass 10471.464 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 93 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MSDEKTQLIEAFYNFDGDYD GFVSVEEFRGIIRDGLPMTE AEITEFFEAADPNNTGFIDY KAFAAMLYSVDES ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLY 3 3 SER 4 4 SER 5 5 HIS 6 6 HIS 7 7 HIS 8 8 HIS 9 9 HIS 10 10 HIS 11 11 SER 12 12 SER 13 13 GLY 14 14 LEU 15 15 VAL 16 16 PRO 17 17 ARG 18 18 GLY 19 19 SER 20 20 HIS 21 21 MET 22 22 SER 23 23 ASP 24 24 GLU 25 25 LYS 26 26 THR 27 27 GLN 28 28 LEU 29 29 ILE 30 30 GLU 31 31 ALA 32 32 PHE 33 33 TYR 34 34 ASN 35 35 PHE 36 36 ASP 37 37 GLY 38 38 ASP 39 39 TYR 40 40 ASP 41 41 GLY 42 42 PHE 43 43 VAL 44 44 SER 45 45 VAL 46 46 GLU 47 47 GLU 48 48 PHE 49 49 ARG 50 50 GLY 51 51 ILE 52 52 ILE 53 53 ARG 54 54 ASP 55 55 GLY 56 56 LEU 57 57 PRO 58 58 MET 59 59 THR 60 60 GLU 61 61 ALA 62 62 GLU 63 63 ILE 64 64 THR 65 65 GLU 66 66 PHE 67 67 PHE 68 68 GLU 69 69 ALA 70 70 ALA 71 71 ASP 72 72 PRO 73 73 ASN 74 74 ASN 75 75 THR 76 76 GLY 77 77 PHE 78 78 ILE 79 79 ASP 80 80 TYR 81 81 LYS 82 82 ALA 83 83 PHE 84 84 ALA 85 85 ALA 86 86 MET 87 87 LEU 88 88 TYR 89 89 SER 90 90 VAL 91 91 ASP 92 92 GLU 93 93 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2M1U "Solution Structure Of The Small Dictyostelium Discoideium Myosin Light Chain Mlcb Provides Insights Into Iq-motif Recognition O" 100.00 93 100.00 100.00 2.15e-60 GB EAL62399 "myoB light chain [Dictyostelium discoideum AX4]" 78.49 73 100.00 100.00 2.37e-44 GB EGC36044 "myoB light chain [Dictyostelium purpureum]" 78.49 73 97.26 100.00 1.79e-43 REF XP_003287419 "myoB light chain [Dictyostelium purpureum]" 78.49 73 97.26 100.00 1.79e-43 REF XP_635900 "myoB light chain [Dictyostelium discoideum AX4]" 78.49 73 100.00 100.00 2.37e-44 SP Q54GL7 "RecName: Full=Myosin-IB light chain; AltName: Full=MyoB light chain; AltName: Full=Myosin light chain mlcB; Short=MlcB" 78.49 73 100.00 100.00 2.37e-44 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MlcB 'Baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $MlcB 'recombinant technology' . Escherichia coli . pET28a 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 $MlcB 1 mM '[U-100% 13C; U-100% 15N]' HEPES 10 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DSS 0.5 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 $MlcB 1 mM '[U-100% 13C; U-100% 15N]' HEPES 10 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DSS 0.5 mM 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _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_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 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_2D_1H-1H_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _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' 50 . mM pH 7.4 . 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 carbons' ppm 0 external direct . . . 1 DSS H 1 'methyl protons' ppm 0 external direct . . . 1 DSS N 15 nitrogen ppm 0 external direct . . . 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCACB' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D H(CCO)NH' '2D 1H-1H NOESY' '2D 1H-1H TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name MlcB _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 10 10 HIS C C 176.04 0.30 1 2 11 11 SER H H 8.36 0.02 1 3 11 11 SER HA H 4.43 0.02 1 4 11 11 SER HB2 H 3.83 0.02 2 5 11 11 SER HB3 H 3.83 0.02 2 6 11 11 SER C C 174.63 0.30 1 7 11 11 SER CA C 58.35 0.30 1 8 11 11 SER CB C 64.12 0.30 1 9 11 11 SER N N 116.84 0.30 1 10 12 12 SER H H 8.49 0.02 1 11 12 12 SER HA H 4.44 0.02 1 12 12 12 SER HB2 H 3.89 0.02 2 13 12 12 SER HB3 H 3.89 0.02 2 14 12 12 SER C C 174.88 0.30 1 15 12 12 SER CA C 58.68 0.30 1 16 12 12 SER CB C 63.89 0.30 1 17 12 12 SER N N 118.03 0.30 1 18 13 13 GLY H H 8.39 0.02 1 19 13 13 GLY HA2 H 3.93 0.02 2 20 13 13 GLY HA3 H 3.93 0.02 2 21 13 13 GLY C C 173.79 0.30 1 22 13 13 GLY CA C 45.46 0.30 1 23 13 13 GLY N N 110.45 0.30 1 24 14 14 LEU H H 8.02 0.02 1 25 14 14 LEU HA H 4.34 0.02 1 26 14 14 LEU HB2 H 1.49 0.02 2 27 14 14 LEU HB3 H 1.55 0.02 2 28 14 14 LEU HG H 1.51 0.02 1 29 14 14 LEU HD1 H 0.76 0.02 2 30 14 14 LEU HD2 H 0.81 0.02 2 31 14 14 LEU C C 176.93 0.30 1 32 14 14 LEU CA C 55.20 0.30 1 33 14 14 LEU CB C 42.60 0.30 1 34 14 14 LEU CG C 26.52 0.30 1 35 14 14 LEU CD1 C 23.47 0.30 1 36 14 14 LEU CD2 C 25.50 0.30 1 37 14 14 LEU N N 121.31 0.30 1 38 15 15 VAL H H 8.03 0.02 1 39 15 15 VAL HA H 4.37 0.02 1 40 15 15 VAL HB H 2.02 0.02 1 41 15 15 VAL HG1 H 0.87 0.02 2 42 15 15 VAL HG2 H 0.90 0.02 2 43 15 15 VAL CA C 59.72 0.30 1 44 15 15 VAL CB C 32.77 0.30 1 45 15 15 VAL CG1 C 20.93 0.30 1 46 15 15 VAL CG2 C 21.43 0.30 1 47 15 15 VAL N N 121.55 0.30 1 48 16 16 PRO HA H 4.37 0.02 1 49 16 16 PRO HB2 H 1.84 0.02 2 50 16 16 PRO HB3 H 2.21 0.02 2 51 16 16 PRO HG2 H 1.84 0.02 2 52 16 16 PRO HG3 H 1.97 0.02 2 53 16 16 PRO HD2 H 3.57 0.02 2 54 16 16 PRO HD3 H 3.79 0.02 2 55 16 16 PRO C C 176.72 0.30 1 56 16 16 PRO CA C 62.65 0.30 1 57 16 16 PRO CB C 32.24 0.30 1 58 16 16 PRO CG C 27.54 0.30 1 59 16 16 PRO CD C 50.97 0.30 1 60 17 17 ARG H H 8.45 0.02 1 61 17 17 ARG HA H 4.28 0.02 1 62 17 17 ARG HB2 H 1.75 0.02 2 63 17 17 ARG HB3 H 1.83 0.02 2 64 17 17 ARG HG2 H 1.62 0.02 2 65 17 17 ARG HG3 H 1.67 0.02 2 66 17 17 ARG HD2 H 3.15 0.02 2 67 17 17 ARG HD3 H 3.15 0.02 2 68 17 17 ARG C C 176.94 0.30 1 69 17 17 ARG CA C 56.36 0.30 1 70 17 17 ARG CB C 31.05 0.30 1 71 17 17 ARG CG C 27.29 0.30 1 72 17 17 ARG CD C 43.20 0.30 1 73 17 17 ARG N N 121.89 0.30 1 74 18 18 GLY H H 8.48 0.02 1 75 18 18 GLY HA2 H 3.96 0.02 2 76 18 18 GLY HA3 H 3.96 0.02 2 77 18 18 GLY C C 174.11 0.30 1 78 18 18 GLY CA C 45.39 0.30 1 79 18 18 GLY N N 110.16 0.30 1 80 19 19 SER H H 8.21 0.02 1 81 19 19 SER HA H 4.40 0.02 1 82 19 19 SER HB2 H 3.81 0.02 2 83 19 19 SER HB3 H 3.81 0.02 2 84 19 19 SER C C 174.38 0.30 1 85 19 19 SER CA C 58.61 0.30 1 86 19 19 SER CB C 63.83 0.30 1 87 19 19 SER N N 115.50 0.30 1 88 20 20 HIS H H 8.59 0.02 1 89 20 20 HIS HA H 4.61 0.02 1 90 20 20 HIS HB2 H 2.68 0.02 2 91 20 20 HIS HB3 H 2.68 0.02 2 92 20 20 HIS C C 174.87 0.30 1 93 20 20 HIS CA C 56.13 0.30 1 94 20 20 HIS CB C 29.71 0.30 1 95 20 20 HIS N N 120.77 0.30 1 96 21 21 MET H H 8.31 0.02 1 97 21 21 MET HA H 4.47 0.02 1 98 21 21 MET HB2 H 1.94 0.02 2 99 21 21 MET HB3 H 2.04 0.02 2 100 21 21 MET HG2 H 2.41 0.02 2 101 21 21 MET HG3 H 2.47 0.02 2 102 21 21 MET C C 176.03 0.30 1 103 21 21 MET CA C 55.49 0.30 1 104 21 21 MET CB C 33.17 0.30 1 105 21 21 MET CG C 32.01 0.30 1 106 21 21 MET N N 121.44 0.30 1 107 22 22 SER H H 8.34 0.02 1 108 22 22 SER HA H 4.43 0.02 1 109 22 22 SER HB2 H 3.88 0.02 2 110 22 22 SER HB3 H 4.01 0.02 2 111 22 22 SER C C 174.63 0.30 1 112 22 22 SER CA C 58.41 0.30 1 113 22 22 SER CB C 64.03 0.30 1 114 22 22 SER N N 116.86 0.30 1 115 23 23 ASP H H 8.54 0.02 1 116 23 23 ASP HA H 4.55 0.02 1 117 23 23 ASP HB2 H 2.71 0.02 2 118 23 23 ASP HB3 H 2.71 0.02 2 119 23 23 ASP C C 176.86 0.30 1 120 23 23 ASP CA C 55.33 0.30 1 121 23 23 ASP CB C 41.00 0.30 1 122 23 23 ASP N N 122.66 0.30 1 123 24 24 GLU H H 8.61 0.02 1 124 24 24 GLU HA H 4.14 0.02 1 125 24 24 GLU HB2 H 2.03 0.02 2 126 24 24 GLU HB3 H 2.03 0.02 2 127 24 24 GLU HG2 H 2.30 0.02 2 128 24 24 GLU HG3 H 2.30 0.02 2 129 24 24 GLU C C 177.54 0.30 1 130 24 24 GLU CA C 58.36 0.30 1 131 24 24 GLU CB C 29.75 0.30 1 132 24 24 GLU CG C 36.46 0.30 1 133 24 24 GLU N N 120.40 0.30 1 134 25 25 LYS H H 8.21 0.02 1 135 25 25 LYS HA H 4.19 0.02 1 136 25 25 LYS HB2 H 1.87 0.02 2 137 25 25 LYS HB3 H 1.87 0.02 2 138 25 25 LYS HG2 H 1.41 0.02 2 139 25 25 LYS HG3 H 1.48 0.02 2 140 25 25 LYS HD2 H 1.67 0.02 2 141 25 25 LYS HD3 H 1.67 0.02 2 142 25 25 LYS HE2 H 2.95 0.02 2 143 25 25 LYS HE3 H 2.95 0.02 2 144 25 25 LYS C C 177.49 0.30 1 145 25 25 LYS CA C 58.11 0.30 1 146 25 25 LYS CB C 32.49 0.30 1 147 25 25 LYS CG C 25.24 0.30 1 148 25 25 LYS CD C 29.20 0.30 1 149 25 25 LYS CE C 42.30 0.30 1 150 25 25 LYS N N 120.39 0.30 1 151 26 26 THR H H 8.08 0.02 1 152 26 26 THR HA H 4.04 0.02 1 153 26 26 THR HB H 4.23 0.02 1 154 26 26 THR HG2 H 1.20 0.02 1 155 26 26 THR C C 175.43 0.30 1 156 26 26 THR CA C 64.62 0.30 1 157 26 26 THR CB C 69.11 0.30 1 158 26 26 THR CG2 C 21.99 0.30 1 159 26 26 THR N N 114.88 0.30 1 160 27 27 GLN H H 8.24 0.02 1 161 27 27 GLN HA H 4.19 0.02 1 162 27 27 GLN HB2 H 2.08 0.02 2 163 27 27 GLN HB3 H 2.08 0.02 2 164 27 27 GLN HG2 H 2.36 0.02 2 165 27 27 GLN HG3 H 2.41 0.02 2 166 27 27 GLN HE21 H 6.82 0.02 2 167 27 27 GLN HE22 H 7.48 0.02 2 168 27 27 GLN C C 177.28 0.30 1 169 27 27 GLN CA C 57.55 0.30 1 170 27 27 GLN CB C 29.09 0.30 1 171 27 27 GLN CG C 34.16 0.30 1 172 27 27 GLN N N 120.94 0.30 1 173 27 27 GLN NE2 N 111.81 0.30 1 174 28 28 LEU H H 7.95 0.02 1 175 28 28 LEU HA H 4.17 0.02 1 176 28 28 LEU HB2 H 1.60 0.02 2 177 28 28 LEU HB3 H 1.71 0.02 2 178 28 28 LEU HG H 1.60 0.02 1 179 28 28 LEU HD1 H 0.78 0.02 2 180 28 28 LEU HD2 H 0.81 0.02 2 181 28 28 LEU C C 177.75 0.30 1 182 28 28 LEU CA C 57.08 0.30 1 183 28 28 LEU CB C 42.27 0.30 1 184 28 28 LEU CG C 27.54 0.30 1 185 28 28 LEU CD1 C 24.49 0.30 1 186 28 28 LEU CD2 C 25.00 0.30 1 187 28 28 LEU N N 121.86 0.30 1 188 29 29 ILE H H 7.95 0.02 1 189 29 29 ILE HA H 3.90 0.02 1 190 29 29 ILE HB H 1.89 0.02 1 191 29 29 ILE HG12 H 1.11 0.02 1 192 29 29 ILE HG13 H 1.54 0.02 1 193 29 29 ILE HG2 H 0.90 0.02 1 194 29 29 ILE HD1 H 0.79 0.02 1 195 29 29 ILE C C 177.14 0.30 1 196 29 29 ILE CA C 63.30 0.30 1 197 29 29 ILE CB C 38.28 0.30 1 198 29 29 ILE CG1 C 28.56 0.30 1 199 29 29 ILE CG2 C 18.13 0.30 1 200 29 29 ILE CD1 C 13.80 0.30 1 201 29 29 ILE N N 119.26 0.30 1 202 30 30 GLU H H 8.22 0.02 1 203 30 30 GLU HA H 4.05 0.02 1 204 30 30 GLU HB2 H 1.94 0.02 2 205 30 30 GLU HB3 H 1.94 0.02 2 206 30 30 GLU HG2 H 2.24 0.02 2 207 30 30 GLU HG3 H 2.32 0.02 2 208 30 30 GLU C C 177.56 0.30 1 209 30 30 GLU CA C 58.09 0.30 1 210 30 30 GLU CB C 29.59 0.30 1 211 30 30 GLU CG C 36.54 0.30 1 212 30 30 GLU N N 120.50 0.30 1 213 31 31 ALA H H 7.89 0.02 1 214 31 31 ALA HA H 4.15 0.02 1 215 31 31 ALA HB H 1.30 0.02 1 216 31 31 ALA C C 178.55 0.30 1 217 31 31 ALA CA C 53.80 0.30 1 218 31 31 ALA CB C 18.63 0.30 1 219 31 31 ALA N N 121.55 0.30 1 220 32 32 PHE H H 7.93 0.02 1 221 32 32 PHE HA H 4.30 0.02 1 222 32 32 PHE HB2 H 2.91 0.02 2 223 32 32 PHE HB3 H 2.91 0.02 2 224 32 32 PHE HD1 H 6.95 0.02 3 225 32 32 PHE C C 176.21 0.30 1 226 32 32 PHE CA C 59.34 0.30 1 227 32 32 PHE CB C 39.75 0.30 1 228 32 32 PHE CD1 C 131.77 0.30 3 229 32 32 PHE N N 117.24 0.30 1 230 33 33 TYR H H 7.95 0.02 1 231 33 33 TYR HA H 4.33 0.02 1 232 33 33 TYR HB2 H 2.84 0.02 2 233 33 33 TYR HB3 H 2.90 0.02 2 234 33 33 TYR HD1 H 7.01 0.02 3 235 33 33 TYR HE1 H 6.72 0.02 3 236 33 33 TYR C C 175.68 0.30 1 237 33 33 TYR CA C 58.92 0.30 1 238 33 33 TYR CB C 38.54 0.30 1 239 33 33 TYR CD1 C 133.17 0.30 3 240 33 33 TYR N N 119.05 0.30 1 241 34 34 ASN H H 7.96 0.02 1 242 34 34 ASN HA H 4.63 0.02 1 243 34 34 ASN HB2 H 2.62 0.02 2 244 34 34 ASN HB3 H 2.75 0.02 2 245 34 34 ASN HD21 H 6.89 0.02 2 246 34 34 ASN HD22 H 7.50 0.02 2 247 34 34 ASN C C 174.81 0.30 1 248 34 34 ASN CA C 53.15 0.30 1 249 34 34 ASN CB C 38.98 0.30 1 250 34 34 ASN N N 118.39 0.30 1 251 34 34 ASN ND2 N 112.53 0.30 1 252 35 35 PHE H H 7.83 0.02 1 253 35 35 PHE HA H 4.45 0.02 1 254 35 35 PHE HB2 H 2.98 0.02 2 255 35 35 PHE HB3 H 3.05 0.02 2 256 35 35 PHE HD1 H 7.09 0.02 3 257 35 35 PHE C C 175.31 0.30 1 258 35 35 PHE CA C 58.32 0.30 1 259 35 35 PHE CB C 39.42 0.30 1 260 35 35 PHE CD1 C 131.91 0.30 3 261 35 35 PHE N N 120.67 0.30 1 262 36 36 ASP H H 8.18 0.02 1 263 36 36 ASP HA H 4.59 0.02 1 264 36 36 ASP HB2 H 2.59 0.02 2 265 36 36 ASP HB3 H 2.66 0.02 2 266 36 36 ASP C C 176.15 0.30 1 267 36 36 ASP CA C 54.07 0.30 1 268 36 36 ASP CB C 41.32 0.30 1 269 36 36 ASP N N 122.40 0.30 1 270 37 37 GLY H H 7.68 0.02 1 271 37 37 GLY HA2 H 3.81 0.02 2 272 37 37 GLY HA3 H 3.81 0.02 2 273 37 37 GLY C C 173.66 0.30 1 274 37 37 GLY CA C 45.61 0.30 1 275 37 37 GLY N N 108.56 0.30 1 276 38 38 ASP H H 8.22 0.02 1 277 38 38 ASP HA H 4.60 0.02 1 278 38 38 ASP HB2 H 2.48 0.02 2 279 38 38 ASP HB3 H 2.62 0.02 2 280 38 38 ASP CA C 54.26 0.30 1 281 38 38 ASP CB C 41.45 0.30 1 282 38 38 ASP N N 120.01 0.30 1 283 39 39 TYR H H 8.09 0.02 1 284 39 39 TYR HA H 4.39 0.02 1 285 39 39 TYR HB2 H 2.79 0.02 2 286 39 39 TYR HB3 H 2.79 0.02 2 287 39 39 TYR HD1 H 6.90 0.02 3 288 39 39 TYR HE1 H 6.67 0.02 3 289 39 39 TYR C C 175.29 0.30 1 290 39 39 TYR CA C 58.20 0.30 1 291 39 39 TYR CB C 39.17 0.30 1 292 39 39 TYR CD1 C 133.24 0.30 3 293 39 39 TYR CE1 C 127.50 0.30 3 294 39 39 TYR N N 121.03 0.30 1 295 40 40 ASP H H 8.20 0.02 1 296 40 40 ASP HA H 4.60 0.02 1 297 40 40 ASP HB2 H 2.62 0.02 2 298 40 40 ASP HB3 H 2.62 0.02 2 299 40 40 ASP C C 175.97 0.30 1 300 40 40 ASP CA C 54.22 0.30 1 301 40 40 ASP CB C 41.52 0.30 1 302 40 40 ASP N N 122.02 0.30 1 303 41 41 GLY H H 7.83 0.02 1 304 41 41 GLY HA2 H 3.71 0.02 2 305 41 41 GLY HA3 H 3.87 0.02 2 306 41 41 GLY C C 173.00 0.30 1 307 41 41 GLY CA C 45.42 0.30 1 308 41 41 GLY N N 108.33 0.30 1 309 42 42 PHE H H 8.15 0.02 1 310 42 42 PHE HA H 5.26 0.02 1 311 42 42 PHE HB2 H 2.92 0.02 2 312 42 42 PHE HB3 H 2.92 0.02 2 313 42 42 PHE HD1 H 7.01 0.02 3 314 42 42 PHE HE1 H 7.28 0.02 3 315 42 42 PHE C C 175.66 0.30 1 316 42 42 PHE CA C 57.16 0.30 1 317 42 42 PHE CB C 41.17 0.30 1 318 42 42 PHE CD1 C 131.62 0.30 3 319 42 42 PHE CE1 C 131.56 0.30 3 320 42 42 PHE N N 118.60 0.30 1 321 43 43 VAL H H 9.07 0.02 1 322 43 43 VAL HA H 4.67 0.02 1 323 43 43 VAL HB H 2.04 0.02 1 324 43 43 VAL HG1 H 0.80 0.02 2 325 43 43 VAL HG2 H 0.80 0.02 2 326 43 43 VAL C C 175.11 0.30 1 327 43 43 VAL CA C 60.62 0.30 1 328 43 43 VAL CB C 32.88 0.30 1 329 43 43 VAL CG1 C 20.80 0.30 1 330 43 43 VAL CG2 C 21.39 0.30 1 331 43 43 VAL N N 119.18 0.30 1 332 44 44 SER H H 9.14 0.02 1 333 44 44 SER HA H 4.57 0.02 1 334 44 44 SER HB2 H 3.95 0.02 2 335 44 44 SER HB3 H 4.12 0.02 2 336 44 44 SER C C 175.66 0.30 1 337 44 44 SER CA C 57.72 0.30 1 338 44 44 SER CB C 63.69 0.30 1 339 44 44 SER N N 121.38 0.30 1 340 45 45 VAL H H 8.14 0.02 1 341 45 45 VAL HA H 3.50 0.02 1 342 45 45 VAL HB H 1.60 0.02 1 343 45 45 VAL HG1 H 0.41 0.02 2 344 45 45 VAL HG2 H 0.67 0.02 2 345 45 45 VAL C C 177.24 0.30 1 346 45 45 VAL CA C 66.27 0.30 1 347 45 45 VAL CB C 31.45 0.30 1 348 45 45 VAL CG1 C 20.42 0.30 1 349 45 45 VAL CG2 C 21.43 0.30 1 350 45 45 VAL N N 122.72 0.30 1 351 46 46 GLU H H 8.23 0.02 1 352 46 46 GLU HA H 3.98 0.02 1 353 46 46 GLU HB2 H 1.94 0.02 2 354 46 46 GLU HB3 H 1.94 0.02 2 355 46 46 GLU HG2 H 2.25 0.02 2 356 46 46 GLU HG3 H 2.25 0.02 2 357 46 46 GLU C C 179.46 0.30 1 358 46 46 GLU CA C 59.56 0.30 1 359 46 46 GLU CB C 29.16 0.30 1 360 46 46 GLU CG C 36.21 0.30 1 361 46 46 GLU N N 118.99 0.30 1 362 47 47 GLU H H 7.88 0.02 1 363 47 47 GLU HA H 4.08 0.02 1 364 47 47 GLU HB2 H 2.02 0.02 2 365 47 47 GLU HB3 H 2.20 0.02 2 366 47 47 GLU HG2 H 2.25 0.02 2 367 47 47 GLU HG3 H 2.33 0.02 2 368 47 47 GLU C C 179.17 0.30 1 369 47 47 GLU CA C 58.89 0.30 1 370 47 47 GLU CB C 29.82 0.30 1 371 47 47 GLU CG C 37.46 0.30 1 372 47 47 GLU N N 120.12 0.30 1 373 48 48 PHE H H 8.60 0.02 1 374 48 48 PHE HA H 4.19 0.02 1 375 48 48 PHE HB2 H 3.13 0.02 2 376 48 48 PHE HB3 H 3.20 0.02 2 377 48 48 PHE HD1 H 7.03 0.02 3 378 48 48 PHE HE1 H 6.88 0.02 3 379 48 48 PHE C C 176.92 0.30 1 380 48 48 PHE CA C 60.87 0.30 1 381 48 48 PHE CB C 39.26 0.30 1 382 48 48 PHE CD1 C 131.13 0.30 3 383 48 48 PHE CE1 C 131.13 0.30 3 384 48 48 PHE N N 120.83 0.30 1 385 49 49 ARG H H 8.65 0.02 1 386 49 49 ARG HA H 3.86 0.02 1 387 49 49 ARG HB2 H 1.83 0.02 2 388 49 49 ARG HB3 H 1.85 0.02 2 389 49 49 ARG HG2 H 1.54 0.02 2 390 49 49 ARG HG3 H 1.71 0.02 2 391 49 49 ARG HD2 H 3.09 0.02 2 392 49 49 ARG HD3 H 3.16 0.02 2 393 49 49 ARG HE H 7.42 0.02 1 394 49 49 ARG C C 178.09 0.30 1 395 49 49 ARG CA C 60.07 0.30 1 396 49 49 ARG CB C 30.14 0.30 1 397 49 49 ARG CG C 28.51 0.30 1 398 49 49 ARG CD C 43.57 0.30 1 399 49 49 ARG N N 118.47 0.30 1 400 49 49 ARG NE N 106.66 0.30 1 401 50 50 GLY H H 7.62 0.02 1 402 50 50 GLY HA2 H 3.82 0.02 2 403 50 50 GLY HA3 H 3.87 0.02 2 404 50 50 GLY C C 175.09 0.30 1 405 50 50 GLY CA C 46.68 0.30 1 406 50 50 GLY N N 105.08 0.30 1 407 51 51 ILE H H 7.47 0.02 1 408 51 51 ILE HA H 3.83 0.02 1 409 51 51 ILE HB H 1.75 0.02 1 410 51 51 ILE HG12 H 1.04 0.02 1 411 51 51 ILE HG13 H 1.55 0.02 1 412 51 51 ILE HG2 H 0.69 0.02 1 413 51 51 ILE HD1 H 0.64 0.02 1 414 51 51 ILE C C 178.30 0.30 1 415 51 51 ILE CA C 63.84 0.30 1 416 51 51 ILE CB C 38.31 0.30 1 417 51 51 ILE CG1 C 28.56 0.30 1 418 51 51 ILE CG2 C 17.62 0.30 1 419 51 51 ILE CD1 C 13.80 0.30 1 420 51 51 ILE N N 121.44 0.30 1 421 52 52 ILE H H 7.79 0.02 1 422 52 52 ILE HA H 3.74 0.02 1 423 52 52 ILE HB H 1.79 0.02 1 424 52 52 ILE HG12 H 0.92 0.02 1 425 52 52 ILE HG13 H 1.27 0.02 1 426 52 52 ILE HG2 H 0.71 0.02 1 427 52 52 ILE HD1 H 0.55 0.02 1 428 52 52 ILE CA C 63.76 0.30 1 429 52 52 ILE CB C 38.03 0.30 1 430 52 52 ILE CG1 C 27.80 0.30 1 431 52 52 ILE CG2 C 18.38 0.30 1 432 52 52 ILE CD1 C 13.29 0.30 1 433 52 52 ILE N N 118.93 0.30 1 434 53 53 ARG H H 7.93 0.02 1 435 53 53 ARG HA H 4.09 0.02 1 436 53 53 ARG HB2 H 1.86 0.02 2 437 53 53 ARG HB3 H 1.86 0.02 2 438 53 53 ARG HG2 H 1.56 0.02 2 439 53 53 ARG HG3 H 1.77 0.02 2 440 53 53 ARG HD2 H 3.16 0.02 2 441 53 53 ARG HD3 H 3.16 0.02 2 442 53 53 ARG C C 177.38 0.30 1 443 53 53 ARG CA C 60.11 0.30 1 444 53 53 ARG CB C 29.58 0.30 1 445 53 53 ARG CG C 27.32 0.30 1 446 53 53 ARG CD C 43.57 0.30 1 447 53 53 ARG N N 120.14 0.30 1 448 54 54 ASP H H 7.87 0.02 1 449 54 54 ASP HA H 4.60 0.02 1 450 54 54 ASP HB2 H 2.64 0.02 2 451 54 54 ASP HB3 H 2.73 0.02 2 452 54 54 ASP C C 176.93 0.30 1 453 54 54 ASP CA C 55.54 0.30 1 454 54 54 ASP CB C 41.10 0.30 1 455 54 54 ASP N N 117.50 0.30 1 456 55 55 GLY H H 7.88 0.02 1 457 55 55 GLY HA2 H 3.82 0.02 2 458 55 55 GLY HA3 H 4.11 0.02 2 459 55 55 GLY C C 173.46 0.30 1 460 55 55 GLY CA C 46.00 0.30 1 461 55 55 GLY N N 106.37 0.30 1 462 56 56 LEU H H 8.22 0.02 1 463 56 56 LEU HA H 4.77 0.02 1 464 56 56 LEU HB2 H 1.43 0.02 2 465 56 56 LEU HB3 H 1.60 0.02 2 466 56 56 LEU HG H 1.54 0.02 1 467 56 56 LEU HD1 H 0.82 0.02 2 468 56 56 LEU HD2 H 0.84 0.02 2 469 56 56 LEU CA C 52.49 0.30 1 470 56 56 LEU CB C 43.12 0.30 1 471 56 56 LEU CG C 28.16 0.30 1 472 56 56 LEU CD1 C 26.01 0.30 1 473 56 56 LEU CD2 C 26.01 0.30 1 474 56 56 LEU N N 122.63 0.30 1 475 57 57 PRO HA H 4.58 0.02 1 476 57 57 PRO HB2 H 2.01 0.02 2 477 57 57 PRO HB3 H 2.11 0.02 2 478 57 57 PRO HG2 H 1.96 0.02 2 479 57 57 PRO HG3 H 2.02 0.02 2 480 57 57 PRO HD2 H 3.53 0.02 2 481 57 57 PRO HD3 H 3.71 0.02 2 482 57 57 PRO C C 176.15 0.30 1 483 57 57 PRO CA C 62.42 0.30 1 484 57 57 PRO CB C 30.74 0.30 1 485 57 57 PRO CG C 27.34 0.30 1 486 57 57 PRO CD C 50.17 0.30 1 487 58 58 MET H H 7.69 0.02 1 488 58 58 MET HA H 4.63 0.02 1 489 58 58 MET HB2 H 1.61 0.02 2 490 58 58 MET HB3 H 2.09 0.02 2 491 58 58 MET HG2 H 2.33 0.02 2 492 58 58 MET HG3 H 2.44 0.02 2 493 58 58 MET HE H 1.73 0.02 1 494 58 58 MET C C 176.15 0.30 1 495 58 58 MET CA C 55.56 0.30 1 496 58 58 MET CB C 36.82 0.30 1 497 58 58 MET CG C 32.70 0.30 1 498 58 58 MET CE C 17.009 0.30 1 499 58 58 MET N N 121.81 0.30 1 500 59 59 THR H H 8.94 0.02 1 501 59 59 THR HA H 4.45 0.02 1 502 59 59 THR HB H 4.70 0.02 1 503 59 59 THR HG2 H 1.33 0.02 1 504 59 59 THR C C 175.17 0.30 1 505 59 59 THR CA C 60.78 0.30 1 506 59 59 THR CB C 71.06 0.30 1 507 59 59 THR CG2 C 21.88 0.30 1 508 59 59 THR N N 114.18 0.30 1 509 60 60 GLU H H 8.85 0.02 1 510 60 60 GLU HA H 4.01 0.02 1 511 60 60 GLU HB2 H 2.05 0.02 2 512 60 60 GLU HB3 H 2.05 0.02 2 513 60 60 GLU HG2 H 2.35 0.02 2 514 60 60 GLU HG3 H 2.35 0.02 2 515 60 60 GLU C C 179.01 0.30 1 516 60 60 GLU CA C 59.82 0.30 1 517 60 60 GLU CB C 29.05 0.30 1 518 60 60 GLU CG C 36.09 0.30 1 519 60 60 GLU N N 120.62 0.30 1 520 61 61 ALA H H 8.37 0.02 1 521 61 61 ALA HA H 4.14 0.02 1 522 61 61 ALA HB H 1.41 0.02 1 523 61 61 ALA C C 180.35 0.30 1 524 61 61 ALA CA C 55.09 0.30 1 525 61 61 ALA CB C 18.21 0.30 1 526 61 61 ALA N N 121.08 0.30 1 527 62 62 GLU H H 7.68 0.02 1 528 62 62 GLU HA H 4.00 0.02 1 529 62 62 GLU HB2 H 1.91 0.02 2 530 62 62 GLU HB3 H 2.35 0.02 2 531 62 62 GLU HG2 H 2.28 0.02 2 532 62 62 GLU HG3 H 2.31 0.02 2 533 62 62 GLU C C 179.69 0.30 1 534 62 62 GLU CA C 58.99 0.30 1 535 62 62 GLU CB C 30.31 0.30 1 536 62 62 GLU CG C 37.59 0.30 1 537 62 62 GLU N N 118.89 0.30 1 538 63 63 ILE H H 8.42 0.02 1 539 63 63 ILE HA H 3.57 0.02 1 540 63 63 ILE HB H 1.98 0.02 1 541 63 63 ILE HG12 H 0.86 0.02 1 542 63 63 ILE HG13 H 1.75 0.02 1 543 63 63 ILE HG2 H 0.86 0.02 1 544 63 63 ILE HD1 H 0.79 0.02 1 545 63 63 ILE C C 177.26 0.30 1 546 63 63 ILE CA C 65.89 0.30 1 547 63 63 ILE CB C 37.98 0.30 1 548 63 63 ILE CG1 C 29.66 0.30 1 549 63 63 ILE CG2 C 18.13 0.30 1 550 63 63 ILE CD1 C 14.06 0.30 1 551 63 63 ILE N N 122.34 0.30 1 552 64 64 THR H H 8.31 0.02 1 553 64 64 THR HA H 3.94 0.02 1 554 64 64 THR HB H 4.30 0.02 1 555 64 64 THR HG2 H 1.25 0.02 1 556 64 64 THR C C 176.52 0.30 1 557 64 64 THR CA C 67.06 0.30 1 558 64 64 THR CB C 68.75 0.30 1 559 64 64 THR CG2 C 21.55 0.30 1 560 64 64 THR N N 116.97 0.30 1 561 65 65 GLU H H 7.97 0.02 1 562 65 65 GLU HA H 4.03 0.02 1 563 65 65 GLU HB2 H 2.05 0.02 2 564 65 65 GLU HB3 H 2.09 0.02 2 565 65 65 GLU HG2 H 2.23 0.02 2 566 65 65 GLU HG3 H 2.42 0.02 2 567 65 65 GLU C C 175.83 0.30 1 568 65 65 GLU CA C 59.50 0.30 1 569 65 65 GLU CB C 29.77 0.30 1 570 65 65 GLU CG C 36.42 0.30 1 571 65 65 GLU N N 120.76 0.30 1 572 66 66 PHE H H 8.10 0.02 1 573 66 66 PHE HA H 4.24 0.02 1 574 66 66 PHE HB2 H 3.06 0.02 2 575 66 66 PHE HB3 H 3.11 0.02 2 576 66 66 PHE HD1 H 6.69 0.02 3 577 66 66 PHE HE1 H 6.90 0.02 3 578 66 66 PHE C C 177.33 0.30 1 579 66 66 PHE CA C 61.20 0.30 1 580 66 66 PHE CB C 38.53 0.30 1 581 66 66 PHE CD1 C 131.84 0.30 3 582 66 66 PHE N N 120.94 0.30 1 583 67 67 PHE H H 8.38 0.02 1 584 67 67 PHE HA H 3.95 0.02 1 585 67 67 PHE HB2 H 3.13 0.02 2 586 67 67 PHE HB3 H 3.23 0.02 2 587 67 67 PHE HD1 H 7.18 0.02 3 588 67 67 PHE HE1 H 7.07 0.02 3 589 67 67 PHE C C 178.09 0.30 1 590 67 67 PHE CA C 61.20 0.30 1 591 67 67 PHE CB C 38.25 0.30 1 592 67 67 PHE CD1 C 131.41 0.30 3 593 67 67 PHE N N 118.11 0.30 1 594 68 68 GLU H H 8.23 0.02 1 595 68 68 GLU HA H 4.01 0.02 1 596 68 68 GLU HB2 H 1.97 0.02 2 597 68 68 GLU HB3 H 2.10 0.02 2 598 68 68 GLU HG2 H 2.24 0.02 2 599 68 68 GLU HG3 H 2.53 0.02 2 600 68 68 GLU C C 177.91 0.30 1 601 68 68 GLU CA C 59.24 0.30 1 602 68 68 GLU CB C 29.37 0.30 1 603 68 68 GLU CG C 36.92 0.30 1 604 68 68 GLU N N 119.65 0.30 1 605 69 69 ALA H H 7.34 0.02 1 606 69 69 ALA HA H 4.18 0.02 1 607 69 69 ALA HB H 1.39 0.02 1 608 69 69 ALA C C 179.03 0.30 1 609 69 69 ALA CA C 53.60 0.30 1 610 69 69 ALA CB C 18.78 0.30 1 611 69 69 ALA N N 119.09 0.30 1 612 70 70 ALA H H 8.05 0.02 1 613 70 70 ALA HA H 4.02 0.02 1 614 70 70 ALA HB H 0.80 0.02 1 615 70 70 ALA C C 176.82 0.30 1 616 70 70 ALA CA C 53.09 0.30 1 617 70 70 ALA CB C 19.61 0.30 1 618 70 70 ALA N N 118.67 0.30 1 619 71 71 ASP H H 8.01 0.02 1 620 71 71 ASP HA H 5.22 0.02 1 621 71 71 ASP HB2 H 2.26 0.02 2 622 71 71 ASP HB3 H 2.76 0.02 2 623 71 71 ASP CA C 52.15 0.30 1 624 71 71 ASP CB C 40.91 0.30 1 625 71 71 ASP N N 116.78 0.30 1 626 72 72 PRO HA H 4.47 0.02 1 627 72 72 PRO HB2 H 1.92 0.02 2 628 72 72 PRO HB3 H 2.37 0.02 2 629 72 72 PRO HG2 H 1.87 0.02 2 630 72 72 PRO HG3 H 2.04 0.02 2 631 72 72 PRO HD2 H 3.34 0.02 2 632 72 72 PRO HD3 H 3.71 0.02 2 633 72 72 PRO C C 177.97 0.30 1 634 72 72 PRO CA C 64.91 0.30 1 635 72 72 PRO CB C 31.88 0.30 1 636 72 72 PRO CG C 27.54 0.30 1 637 72 72 PRO CD C 50.69 0.30 1 638 73 73 ASN H H 9.03 0.02 1 639 73 73 ASN HA H 4.88 0.02 1 640 73 73 ASN HB2 H 2.75 0.02 2 641 73 73 ASN HB3 H 2.94 0.02 2 642 73 73 ASN HD21 H 7.00 0.02 2 643 73 73 ASN HD22 H 7.50 0.02 2 644 73 73 ASN C C 174.88 0.30 1 645 73 73 ASN CA C 52.84 0.30 1 646 73 73 ASN CB C 38.38 0.30 1 647 73 73 ASN N N 114.93 0.30 1 648 73 73 ASN ND2 N 113.77 0.30 1 649 74 74 ASN H H 8.32 0.02 1 650 74 74 ASN HA H 4.36 0.02 1 651 74 74 ASN HB2 H 2.67 0.02 2 652 74 74 ASN HB3 H 2.98 0.02 2 653 74 74 ASN HD21 H 6.79 0.02 2 654 74 74 ASN HD22 H 7.53 0.02 2 655 74 74 ASN CA C 54.59 0.30 1 656 74 74 ASN CB C 37.16 0.30 1 657 74 74 ASN N N 118.34 0.30 1 658 74 74 ASN ND2 N 112.53 0.30 1 659 75 75 THR H H 9.87 0.02 1 660 75 75 THR HA H 4.21 0.02 1 661 75 75 THR HB H 4.31 0.02 1 662 75 75 THR HG2 H 1.30 0.02 1 663 75 75 THR CA C 63.41 0.30 1 664 75 75 THR CB C 70.54 0.30 1 665 75 75 THR CG2 C 22.45 0.30 1 666 75 75 THR N N 113.45 0.30 1 667 76 76 GLY H H 10.25 0.02 1 668 76 76 GLY HA2 H 3.37 0.02 2 669 76 76 GLY HA3 H 4.04 0.02 2 670 76 76 GLY C C 173.67 0.30 1 671 76 76 GLY CA C 45.12 0.30 1 672 76 76 GLY N N 111.81 0.30 1 673 77 77 PHE H H 8.11 0.02 1 674 77 77 PHE HA H 5.15 0.02 1 675 77 77 PHE HB2 H 2.63 0.02 2 676 77 77 PHE HB3 H 2.85 0.02 2 677 77 77 PHE HD1 H 6.89 0.02 3 678 77 77 PHE HE1 H 7.02 0.02 3 679 77 77 PHE CA C 57.18 0.30 1 680 77 77 PHE CB C 43.50 0.30 1 681 77 77 PHE CD1 C 131.98 0.30 3 682 77 77 PHE N N 120.56 0.30 1 683 78 78 ILE H H 8.93 0.02 1 684 78 78 ILE HA H 4.39 0.02 1 685 78 78 ILE HB H 1.68 0.02 1 686 78 78 ILE HG12 H 0.86 0.02 1 687 78 78 ILE HG13 H 1.26 0.02 1 688 78 78 ILE HG2 H 0.61 0.02 1 689 78 78 ILE HD1 H 0.48 0.02 1 690 78 78 ILE C C 174.77 0.30 1 691 78 78 ILE CA C 59.19 0.30 1 692 78 78 ILE CB C 41.18 0.30 1 693 78 78 ILE CG1 C 26.78 0.30 1 694 78 78 ILE CG2 C 18.18 0.30 1 695 78 78 ILE CD1 C 13.80 0.30 1 696 78 78 ILE N N 116.41 0.30 1 697 79 79 ASP H H 8.61 0.02 1 698 79 79 ASP HA H 4.50 0.02 1 699 79 79 ASP HB2 H 2.58 0.02 2 700 79 79 ASP HB3 H 2.79 0.02 2 701 79 79 ASP C C 176.49 0.30 1 702 79 79 ASP CA C 53.31 0.30 1 703 79 79 ASP CB C 41.37 0.30 1 704 79 79 ASP N N 125.22 0.30 1 705 80 80 TYR H H 8.46 0.02 1 706 80 80 TYR HA H 3.99 0.02 1 707 80 80 TYR HB2 H 2.92 0.02 2 708 80 80 TYR HB3 H 2.92 0.02 2 709 80 80 TYR HD1 H 6.86 0.02 3 710 80 80 TYR HE1 H 6.71 0.02 3 711 80 80 TYR C C 177.14 0.30 1 712 80 80 TYR CA C 61.58 0.30 1 713 80 80 TYR CB C 38.89 0.30 1 714 80 80 TYR CD1 C 132.96 0.30 3 715 80 80 TYR CE1 C 127.12 0.30 3 716 80 80 TYR N N 125.76 0.30 1 717 81 81 LYS H H 8.41 0.02 1 718 81 81 LYS HA H 3.90 0.02 1 719 81 81 LYS HB2 H 1.81 0.02 2 720 81 81 LYS HB3 H 1.89 0.02 2 721 81 81 LYS HG2 H 1.39 0.02 2 722 81 81 LYS HG3 H 1.49 0.02 2 723 81 81 LYS HD2 H 1.71 0.02 2 724 81 81 LYS HD3 H 1.71 0.02 2 725 81 81 LYS HE2 H 3.00 0.02 2 726 81 81 LYS HE3 H 3.00 0.02 2 727 81 81 LYS C C 179.09 0.30 1 728 81 81 LYS CA C 59.58 0.30 1 729 81 81 LYS CB C 31.76 0.30 1 730 81 81 LYS CG C 25.27 0.30 1 731 81 81 LYS CD C 29.18 0.30 1 732 81 81 LYS CE C 41.79 0.30 1 733 81 81 LYS N N 118.32 0.30 1 734 82 82 ALA H H 7.77 0.02 1 735 82 82 ALA HA H 4.13 0.02 1 736 82 82 ALA HB H 1.46 0.02 1 737 82 82 ALA C C 179.74 0.30 1 738 82 82 ALA CA C 54.52 0.30 1 739 82 82 ALA CB C 18.54 0.30 1 740 82 82 ALA N N 122.05 0.30 1 741 83 83 PHE H H 7.78 0.02 1 742 83 83 PHE HA H 4.29 0.02 1 743 83 83 PHE HB2 H 2.91 0.02 2 744 83 83 PHE HB3 H 3.04 0.02 2 745 83 83 PHE HD1 H 6.93 0.02 3 746 83 83 PHE HE1 H 6.76 0.02 3 747 83 83 PHE C C 176.46 0.30 1 748 83 83 PHE CA C 60.03 0.30 1 749 83 83 PHE CB C 39.52 0.30 1 750 83 83 PHE CD1 C 131.77 0.30 3 751 83 83 PHE N N 117.81 0.30 1 752 84 84 ALA H H 8.29 0.02 1 753 84 84 ALA HA H 3.66 0.02 1 754 84 84 ALA HB H 1.29 0.02 1 755 84 84 ALA C C 179.01 0.30 1 756 84 84 ALA CA C 55.03 0.30 1 757 84 84 ALA CB C 18.13 0.30 1 758 84 84 ALA N N 121.53 0.30 1 759 85 85 ALA H H 7.70 0.02 1 760 85 85 ALA HA H 4.08 0.02 1 761 85 85 ALA HB H 1.42 0.02 1 762 85 85 ALA C C 179.57 0.30 1 763 85 85 ALA CA C 54.37 0.30 1 764 85 85 ALA CB C 18.29 0.30 1 765 85 85 ALA N N 117.72 0.30 1 766 86 86 MET H H 7.56 0.02 1 767 86 86 MET HA H 4.16 0.02 1 768 86 86 MET HB2 H 2.01 0.02 2 769 86 86 MET HB3 H 2.04 0.02 2 770 86 86 MET HG2 H 2.38 0.02 2 771 86 86 MET HG3 H 2.43 0.02 2 772 86 86 MET HE H 1.71 0.02 1 773 86 86 MET C C 177.36 0.30 1 774 86 86 MET CA C 57.38 0.30 1 775 86 86 MET CB C 32.72 0.30 1 776 86 86 MET CG C 31.87 0.30 1 777 86 86 MET CE C 21.165 0.30 1 778 86 86 MET N N 116.57 0.30 1 779 87 87 LEU H H 7.57 0.02 1 780 87 87 LEU HA H 3.97 0.02 1 781 87 87 LEU HB2 H 1.08 0.02 2 782 87 87 LEU HB3 H 1.29 0.02 2 783 87 87 LEU HG H 1.23 0.02 1 784 87 87 LEU HD1 H 0.51 0.02 2 785 87 87 LEU HD2 H 0.53 0.02 2 786 87 87 LEU C C 177.42 0.30 1 787 87 87 LEU CA C 56.29 0.30 1 788 87 87 LEU CB C 42.28 0.30 1 789 87 87 LEU CG C 26.78 0.30 1 790 87 87 LEU CD1 C 23.47 0.30 1 791 87 87 LEU CD2 C 25.25 0.30 1 792 87 87 LEU N N 119.09 0.30 1 793 88 88 TYR H H 7.74 0.02 1 794 88 88 TYR HA H 4.59 0.02 1 795 88 88 TYR HB2 H 2.84 0.02 2 796 88 88 TYR HB3 H 3.09 0.02 2 797 88 88 TYR HD1 H 7.09 0.02 3 798 88 88 TYR HE1 H 6.76 0.02 3 799 88 88 TYR C C 175.87 0.30 1 800 88 88 TYR CA C 57.84 0.30 1 801 88 88 TYR CB C 38.64 0.30 1 802 88 88 TYR CD1 C 133.17 0.30 3 803 88 88 TYR N N 117.06 0.30 1 804 89 89 SER H H 7.88 0.02 1 805 89 89 SER HA H 4.44 0.02 1 806 89 89 SER HB2 H 3.88 0.02 2 807 89 89 SER HB3 H 3.88 0.02 2 808 89 89 SER C C 174.46 0.30 1 809 89 89 SER CA C 58.35 0.30 1 810 89 89 SER CB C 63.99 0.30 1 811 89 89 SER N N 115.98 0.30 1 812 90 90 VAL H H 8.02 0.02 1 813 90 90 VAL HA H 4.14 0.02 1 814 90 90 VAL HB H 2.08 0.02 1 815 90 90 VAL HG1 H 0.90 0.02 2 816 90 90 VAL HG2 H 0.90 0.02 2 817 90 90 VAL C C 175.72 0.30 1 818 90 90 VAL CA C 62.27 0.30 1 819 90 90 VAL CB C 32.84 0.30 1 820 90 90 VAL CG1 C 20.93 0.30 1 821 90 90 VAL CG2 C 20.93 0.30 1 822 90 90 VAL N N 120.91 0.30 1 823 91 91 ASP H H 8.31 0.02 1 824 91 91 ASP HA H 4.63 0.02 1 825 91 91 ASP HB2 H 2.58 0.02 2 826 91 91 ASP HB3 H 2.71 0.02 2 827 91 91 ASP C C 176.00 0.30 1 828 91 91 ASP CA C 54.51 0.30 1 829 91 91 ASP CB C 41.44 0.30 1 830 91 91 ASP N N 123.62 0.30 1 831 92 92 GLU H H 8.32 0.02 1 832 92 92 GLU HA H 4.36 0.02 1 833 92 92 GLU HB2 H 2.11 0.02 2 834 92 92 GLU HB3 H 2.11 0.02 2 835 92 92 GLU HG2 H 2.26 0.02 2 836 92 92 GLU HG3 H 2.26 0.02 2 837 92 92 GLU C C 175.66 0.30 1 838 92 92 GLU CA C 56.49 0.30 1 839 92 92 GLU CB C 32.85 0.30 1 840 92 92 GLU CG C 36.30 0.30 1 841 92 92 GLU N N 122.17 0.30 1 842 93 93 SER H H 8.03 0.02 1 843 93 93 SER HA H 4.21 0.02 1 844 93 93 SER HB2 H 3.85 0.02 2 845 93 93 SER HB3 H 3.85 0.02 2 846 93 93 SER CA C 60.33 0.30 1 847 93 93 SER CB C 64.33 0.30 1 848 93 93 SER N N 122.66 0.30 1 stop_ save_