data_11057 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; MICROTUBULE BINDING DOMAIN OF DYNEIN-C ; _BMRB_accession_number 11057 _BMRB_flat_file_name bmr11057.str _Entry_type original _Submission_date 2008-11-17 _Accession_date 2008-11-17 _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 Kato Y. . . 2 Yagi T. . . 3 Ohki S. . . 4 Burgess S. . . 5 Honda S. . . 6 Kamiya R. . . 7 Tanokura M. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 931 "13C chemical shifts" 500 "15N chemical shifts" 149 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-07-19 original author . stop_ _Original_release_date 2012-07-19 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure of the Microtubule-Binding Domain of Flagellar Dynein' _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 Kato Y. . . 2 Yagi T. . . 3 Ohki S. . . 4 Harris S. . . 5 Yura K. . . 6 Shimizu Y. . . 7 Honda S. . . 8 Kamiya R. . . 9 Burgess S. . . 10 Tanokura M. . . stop_ _Journal_abbreviation . _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 'the microtubule-binding domain of dynein heavy chain 9' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'the microtubule-binding domain of dynein heavy chain 9' $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 'the microtubule-binding domain of dynein heavy chain 9' _Molecular_mass 17391.582 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 155 _Mol_residue_sequence ; GSQADLAEALPLLEAALKAL DTLKPADITEVKGMKSPPAG VRRVLEAICIMKGVKPARVK DTASGRMVDDYWEASKKMLM EFDFLDSLRKFDKDHIPPEV IVKIRPFAQDPEFQPKVIEK QSVACAGLCSWVIALEKYDK VIKEVEPKRQKLREA ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 GLN 4 ALA 5 ASP 6 LEU 7 ALA 8 GLU 9 ALA 10 LEU 11 PRO 12 LEU 13 LEU 14 GLU 15 ALA 16 ALA 17 LEU 18 LYS 19 ALA 20 LEU 21 ASP 22 THR 23 LEU 24 LYS 25 PRO 26 ALA 27 ASP 28 ILE 29 THR 30 GLU 31 VAL 32 LYS 33 GLY 34 MET 35 LYS 36 SER 37 PRO 38 PRO 39 ALA 40 GLY 41 VAL 42 ARG 43 ARG 44 VAL 45 LEU 46 GLU 47 ALA 48 ILE 49 CYS 50 ILE 51 MET 52 LYS 53 GLY 54 VAL 55 LYS 56 PRO 57 ALA 58 ARG 59 VAL 60 LYS 61 ASP 62 THR 63 ALA 64 SER 65 GLY 66 ARG 67 MET 68 VAL 69 ASP 70 ASP 71 TYR 72 TRP 73 GLU 74 ALA 75 SER 76 LYS 77 LYS 78 MET 79 LEU 80 MET 81 GLU 82 PHE 83 ASP 84 PHE 85 LEU 86 ASP 87 SER 88 LEU 89 ARG 90 LYS 91 PHE 92 ASP 93 LYS 94 ASP 95 HIS 96 ILE 97 PRO 98 PRO 99 GLU 100 VAL 101 ILE 102 VAL 103 LYS 104 ILE 105 ARG 106 PRO 107 PHE 108 ALA 109 GLN 110 ASP 111 PRO 112 GLU 113 PHE 114 GLN 115 PRO 116 LYS 117 VAL 118 ILE 119 GLU 120 LYS 121 GLN 122 SER 123 VAL 124 ALA 125 CYS 126 ALA 127 GLY 128 LEU 129 CYS 130 SER 131 TRP 132 VAL 133 ILE 134 ALA 135 LEU 136 GLU 137 LYS 138 TYR 139 ASP 140 LYS 141 VAL 142 ILE 143 LYS 144 GLU 145 VAL 146 GLU 147 PRO 148 LYS 149 ARG 150 GLN 151 LYS 152 LEU 153 ARG 154 GLU 155 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-23 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 2RR7 "Microtubule Binding Domain Of Dynein-c" 100.00 155 100.00 100.00 4.95e-105 DBJ BAE19786 "dynein heavy chain 9 [Chlamydomonas reinhardtii]" 98.71 4149 99.35 100.00 4.45e-93 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 $entity 'Chlamydomonas reinhardtii' 3055 Eukaryota Viridiplantae Chlamydomonas reinhardtii DHC9 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity 'recombinant technology' . Escherichia coli BL21 plasmid pGEX-TEV 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 0.4 mM [U-15N] DTT 1 mM '[U-100% 2H]' arginine 50 mM 'natural abundance' glutamate 50 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.4 mM '[U-13C; U-15N]' DTT 1 mM '[U-100% 2H]' arginine 50 mM 'natural abundance' glutamate 50 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.4 mM '[U-13C; U-15N]' DTT 1 mM '[U-100% 2H]' arginine 50 mM 'natural abundance' glutamate 50 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' D2O 100 % . stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'GUNTERT, MUMENTHALER, WUTHRICH' . . stop_ loop_ _Task refinement '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_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer VARIAN _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _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_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ save_3D_1H-13C-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 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' 1.42 . M pH 6.4 . 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 protons' ppm 0 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRPIPE $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D C(CO)NH' '3D H(CCO)NH' '3D HCCH-COSY' '3D HCCH-TOCSY' '3D 1H-13C NOESY' '3D 1H-15N TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'the microtubule-binding domain of dynein heavy chain 9' _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 2 SER HA H 4.528 0.005 1 2 2 2 SER HB2 H 3.877 0.006 1 3 2 2 SER HB3 H 3.950 0.007 1 4 2 2 SER CA C 58.231 0.098 1 5 2 2 SER CB C 63.785 0.095 1 6 3 3 GLN H H 8.702 0.000 1 7 3 3 GLN HA H 4.242 0.002 1 8 3 3 GLN HB2 H 2.043 0.003 1 9 3 3 GLN HB3 H 2.124 0.003 1 10 3 3 GLN HE21 H 7.608 0.000 1 11 3 3 GLN HE22 H 6.881 0.001 1 12 3 3 GLN HG2 H 2.409 0.003 2 13 3 3 GLN HG3 H 2.409 0.003 2 14 3 3 GLN CA C 56.683 0.128 1 15 3 3 GLN CB C 28.593 0.039 1 16 3 3 GLN CG C 33.507 0.014 1 17 3 3 GLN N N 122.242 0.011 1 18 3 3 GLN NE2 N 112.545 0.031 1 19 4 4 ALA H H 8.324 0.000 1 20 4 4 ALA HA H 4.228 0.005 1 21 4 4 ALA HB H 1.363 0.002 1 22 4 4 ALA CB C 18.575 0.211 1 23 4 4 ALA N N 124.277 0.001 1 24 5 5 ASP H H 8.114 0.000 1 25 5 5 ASP HA H 4.531 0.002 1 26 5 5 ASP HB2 H 2.701 0.001 2 27 5 5 ASP HB3 H 2.701 0.001 2 28 5 5 ASP CA C 54.754 0.012 1 29 5 5 ASP CB C 40.582 0.018 1 30 5 5 ASP N N 119.090 0.001 1 31 6 6 LEU H H 8.235 0.000 1 32 6 6 LEU HA H 4.156 0.003 1 33 6 6 LEU HB2 H 1.714 0.011 2 34 6 6 LEU HB3 H 1.714 0.011 2 35 6 6 LEU HD1 H 0.911 0.007 2 36 6 6 LEU HD2 H 0.823 0.004 2 37 6 6 LEU HG H 1.664 0.007 1 38 6 6 LEU CA C 56.421 0.113 1 39 6 6 LEU CB C 41.427 0.058 1 40 6 6 LEU CD1 C 24.540 0.065 1 41 6 6 LEU CD2 C 23.794 0.051 1 42 6 6 LEU CG C 26.757 0.029 1 43 6 6 LEU N N 122.996 0.029 1 44 7 7 ALA H H 8.093 0.000 1 45 7 7 ALA HA H 4.147 0.006 1 46 7 7 ALA HB H 1.485 0.002 1 47 7 7 ALA CB C 18.170 0.196 1 48 7 7 ALA N N 121.576 0.000 1 49 8 8 GLU H H 7.959 0.001 1 50 8 8 GLU HA H 4.261 0.009 1 51 8 8 GLU HB2 H 2.053 0.014 2 52 8 8 GLU HB3 H 2.053 0.014 2 53 8 8 GLU HG2 H 2.240 0.012 1 54 8 8 GLU HG3 H 2.373 0.000 1 55 8 8 GLU CA C 56.997 0.000 1 56 8 8 GLU CB C 30.132 0.000 1 57 8 8 GLU CG C 35.944 0.000 1 58 8 8 GLU N N 115.608 0.009 1 59 9 9 ALA H H 8.034 0.000 1 60 9 9 ALA HA H 4.309 0.006 1 61 9 9 ALA HB H 1.505 0.006 1 62 9 9 ALA CB C 19.401 0.197 1 63 9 9 ALA N N 120.853 0.017 1 64 10 10 LEU H H 8.258 0.001 1 65 10 10 LEU HA H 4.378 0.004 1 66 10 10 LEU HB2 H 1.922 0.004 1 67 10 10 LEU HB3 H 1.770 0.002 1 68 10 10 LEU HD1 H 0.993 0.004 2 69 10 10 LEU HD2 H 1.019 0.007 2 70 10 10 LEU HG H 1.871 0.006 1 71 10 10 LEU CA C 59.252 0.069 1 72 10 10 LEU CB C 38.804 0.065 1 73 10 10 LEU CD1 C 23.047 0.085 1 74 10 10 LEU CD2 C 24.411 0.050 1 75 10 10 LEU CG C 27.010 0.000 1 76 10 10 LEU N N 118.319 0.035 1 77 11 11 PRO HA H 4.444 0.004 1 78 11 11 PRO HB2 H 1.852 0.006 1 79 11 11 PRO HB3 H 2.395 0.004 1 80 11 11 PRO HD2 H 3.726 0.007 1 81 11 11 PRO HD3 H 3.607 0.004 1 82 11 11 PRO HG2 H 2.015 0.003 1 83 11 11 PRO HG3 H 2.177 0.006 1 84 11 11 PRO CA C 65.471 0.077 1 85 11 11 PRO CB C 30.756 0.079 1 86 11 11 PRO CD C 50.232 0.044 1 87 11 11 PRO CG C 27.890 0.127 1 88 12 12 LEU H H 7.319 0.000 1 89 12 12 LEU HA H 4.234 0.003 1 90 12 12 LEU HB2 H 1.715 0.004 1 91 12 12 LEU HB3 H 2.036 0.005 1 92 12 12 LEU HD1 H 0.980 0.011 2 93 12 12 LEU HD2 H 1.007 0.010 2 94 12 12 LEU HG H 1.854 0.005 1 95 12 12 LEU CA C 57.255 0.000 1 96 12 12 LEU CB C 41.362 0.089 1 97 12 12 LEU CD1 C 23.108 0.089 1 98 12 12 LEU CD2 C 24.593 0.068 1 99 12 12 LEU CG C 26.939 0.088 1 100 12 12 LEU N N 117.970 0.005 1 101 13 13 LEU H H 7.874 0.001 1 102 13 13 LEU HA H 3.984 0.006 1 103 13 13 LEU HB2 H 1.957 0.006 1 104 13 13 LEU HB3 H 1.531 0.004 1 105 13 13 LEU HD1 H 0.728 0.001 2 106 13 13 LEU HD2 H 0.558 0.001 2 107 13 13 LEU HG H 1.575 0.003 1 108 13 13 LEU CA C 57.365 0.042 1 109 13 13 LEU CB C 41.294 0.046 1 110 13 13 LEU CD1 C 23.484 0.062 1 111 13 13 LEU CD2 C 24.808 0.031 1 112 13 13 LEU CG C 26.526 0.075 1 113 13 13 LEU N N 121.754 0.030 1 114 14 14 GLU H H 8.483 0.000 1 115 14 14 GLU HA H 3.968 0.001 1 116 14 14 GLU HB2 H 2.041 0.002 1 117 14 14 GLU HB3 H 2.100 0.006 1 118 14 14 GLU HG2 H 2.200 0.001 1 119 14 14 GLU HG3 H 2.395 0.001 1 120 14 14 GLU CA C 59.362 0.058 1 121 14 14 GLU CB C 29.289 0.125 1 122 14 14 GLU CG C 35.996 0.010 1 123 14 14 GLU N N 118.705 0.010 1 124 15 15 ALA H H 8.032 0.000 1 125 15 15 ALA HA H 4.151 0.003 1 126 15 15 ALA HB H 1.548 0.006 1 127 15 15 ALA CA C 54.301 0.108 1 128 15 15 ALA CB C 17.912 0.058 1 129 15 15 ALA N N 120.918 0.012 1 130 16 16 ALA H H 8.023 0.000 1 131 16 16 ALA HA H 4.169 0.007 1 132 16 16 ALA HB H 1.539 0.006 1 133 16 16 ALA CB C 17.516 0.208 1 134 16 16 ALA N N 122.945 0.001 1 135 17 17 LEU H H 8.371 0.000 1 136 17 17 LEU HA H 4.022 0.007 1 137 17 17 LEU HB2 H 1.913 0.005 1 138 17 17 LEU HB3 H 1.571 0.011 1 139 17 17 LEU HD1 H 0.946 0.001 2 140 17 17 LEU HD2 H 0.953 0.008 2 141 17 17 LEU HG H 1.906 0.008 1 142 17 17 LEU CA C 57.578 0.000 1 143 17 17 LEU CB C 40.643 0.069 1 144 17 17 LEU CD1 C 22.557 0.153 1 145 17 17 LEU CD2 C 24.866 0.051 1 146 17 17 LEU CG C 27.124 0.080 1 147 17 17 LEU N N 117.716 0.002 1 148 18 18 LYS H H 8.161 0.001 1 149 18 18 LYS HA H 4.102 0.004 1 150 18 18 LYS HB2 H 1.911 0.004 2 151 18 18 LYS HB3 H 1.911 0.004 2 152 18 18 LYS HD2 H 1.693 0.003 2 153 18 18 LYS HD3 H 1.693 0.003 2 154 18 18 LYS HE2 H 2.964 0.004 2 155 18 18 LYS HE3 H 2.964 0.004 2 156 18 18 LYS HG2 H 1.460 0.002 1 157 18 18 LYS HG3 H 1.590 0.002 1 158 18 18 LYS CA C 58.894 0.094 1 159 18 18 LYS CB C 31.652 0.088 1 160 18 18 LYS CG C 24.829 0.112 1 161 18 18 LYS N N 119.893 0.018 1 162 19 19 ALA H H 7.819 0.001 1 163 19 19 ALA HA H 4.158 0.005 1 164 19 19 ALA HB H 1.595 0.004 1 165 19 19 ALA CB C 17.149 0.209 1 166 19 19 ALA N N 121.792 0.002 1 167 20 20 LEU H H 7.860 0.000 1 168 20 20 LEU HA H 3.953 0.005 1 169 20 20 LEU HB2 H 1.242 0.005 1 170 20 20 LEU HB3 H 1.923 0.010 1 171 20 20 LEU HD1 H 0.354 0.006 2 172 20 20 LEU HD2 H 0.379 0.005 2 173 20 20 LEU HG H 1.888 0.005 1 174 20 20 LEU CA C 57.003 0.000 1 175 20 20 LEU CB C 40.566 0.018 1 176 20 20 LEU CD1 C 21.563 0.049 1 177 20 20 LEU CD2 C 25.369 0.063 1 178 20 20 LEU CG C 25.880 0.174 1 179 20 20 LEU N N 117.240 0.021 1 180 21 21 ASP H H 7.935 0.000 1 181 21 21 ASP HA H 4.437 0.001 1 182 21 21 ASP HB2 H 2.721 0.004 1 183 21 21 ASP HB3 H 2.864 0.003 1 184 21 21 ASP CA C 56.083 0.030 1 185 21 21 ASP CB C 40.513 0.039 1 186 21 21 ASP N N 118.029 0.000 1 187 22 22 THR H H 7.508 0.000 1 188 22 22 THR HA H 4.282 0.007 1 189 22 22 THR HB H 4.371 0.008 1 190 22 22 THR HG2 H 1.314 0.007 1 191 22 22 THR CA C 62.221 0.059 1 192 22 22 THR CB C 69.660 0.094 1 193 22 22 THR CG2 C 21.343 0.165 1 194 22 22 THR N N 109.092 0.000 1 195 23 23 LEU H H 7.203 0.000 1 196 23 23 LEU HA H 4.391 0.002 1 197 23 23 LEU HB2 H 1.269 0.004 1 198 23 23 LEU HB3 H 2.012 0.006 1 199 23 23 LEU HD1 H 0.873 0.006 2 200 23 23 LEU HD2 H 0.906 0.004 2 201 23 23 LEU HG H 2.027 0.001 1 202 23 23 LEU CA C 54.934 0.000 1 203 23 23 LEU CB C 42.071 0.006 1 204 23 23 LEU CD1 C 23.226 0.071 1 205 23 23 LEU CD2 C 25.630 0.096 1 206 23 23 LEU N N 122.141 0.032 1 207 24 24 LYS H H 9.285 0.000 1 208 24 24 LYS HA H 4.836 0.004 1 209 24 24 LYS HB2 H 1.699 0.005 1 210 24 24 LYS HB3 H 2.045 0.009 1 211 24 24 LYS HD2 H 1.744 0.003 2 212 24 24 LYS HD3 H 1.744 0.003 2 213 24 24 LYS HE2 H 3.050 0.007 2 214 24 24 LYS HE3 H 3.050 0.007 2 215 24 24 LYS HG2 H 1.567 0.004 2 216 24 24 LYS HG3 H 1.567 0.004 2 217 24 24 LYS CA C 52.804 0.140 1 218 24 24 LYS CB C 31.909 0.138 1 219 24 24 LYS CD C 28.494 0.068 1 220 24 24 LYS CE C 41.851 0.112 1 221 24 24 LYS CG C 24.283 0.114 1 222 24 24 LYS N N 123.486 0.013 1 223 25 25 PRO HA H 4.219 0.004 1 224 25 25 PRO HB2 H 1.985 0.005 1 225 25 25 PRO HB3 H 2.458 0.006 1 226 25 25 PRO HG2 H 2.076 0.000 1 227 25 25 PRO HG3 H 2.261 0.000 1 228 25 25 PRO CA C 65.917 0.080 1 229 25 25 PRO CB C 31.319 0.037 1 230 26 26 ALA H H 8.442 0.003 1 231 26 26 ALA HA H 4.197 0.013 1 232 26 26 ALA HB H 1.417 0.002 1 233 26 26 ALA CB C 18.486 0.186 1 234 26 26 ALA N N 117.182 0.013 1 235 27 27 ASP H H 7.889 0.000 1 236 27 27 ASP HA H 4.503 0.002 1 237 27 27 ASP HB2 H 2.673 0.003 1 238 27 27 ASP HB3 H 3.015 0.005 1 239 27 27 ASP CA C 56.639 0.039 1 240 27 27 ASP CB C 41.020 0.032 1 241 27 27 ASP N N 116.741 0.001 1 242 28 28 ILE H H 7.427 0.001 1 243 28 28 ILE HA H 3.772 0.007 1 244 28 28 ILE HB H 2.325 0.002 1 245 28 28 ILE HD1 H 0.835 0.004 1 246 28 28 ILE HG12 H 1.440 0.004 1 247 28 28 ILE HG13 H 1.601 0.002 1 248 28 28 ILE HG2 H 0.886 0.004 1 249 28 28 ILE CA C 62.263 0.043 1 250 28 28 ILE CB C 35.876 0.000 1 251 28 28 ILE CD1 C 9.864 0.066 1 252 28 28 ILE CG1 C 27.414 0.063 1 253 28 28 ILE CG2 C 18.108 0.068 1 254 28 28 ILE N N 119.860 0.031 1 255 29 29 THR H H 8.449 0.000 1 256 29 29 THR HA H 3.749 0.009 1 257 29 29 THR HB H 4.208 0.005 1 258 29 29 THR HG2 H 1.225 0.006 1 259 29 29 THR CA C 66.037 0.136 1 260 29 29 THR CB C 68.135 0.089 1 261 29 29 THR CG2 C 22.089 0.185 1 262 29 29 THR N N 116.900 0.008 1 263 30 30 GLU H H 7.736 0.000 1 264 30 30 GLU HA H 4.053 0.004 1 265 30 30 GLU HB2 H 2.162 0.004 1 266 30 30 GLU HB3 H 2.244 0.005 1 267 30 30 GLU HG2 H 2.295 0.005 1 268 30 30 GLU HG3 H 2.385 0.010 1 269 30 30 GLU CA C 58.792 0.064 1 270 30 30 GLU CB C 29.142 0.136 1 271 30 30 GLU CG C 35.676 0.009 1 272 30 30 GLU N N 120.827 0.039 1 273 31 31 VAL H H 7.176 0.000 1 274 31 31 VAL HA H 3.896 0.003 1 275 31 31 VAL HB H 2.166 0.003 1 276 31 31 VAL HG1 H 0.925 0.007 2 277 31 31 VAL HG2 H 1.131 0.002 2 278 31 31 VAL CA C 65.285 0.037 1 279 31 31 VAL CB C 31.519 0.064 1 280 31 31 VAL CG1 C 22.237 0.154 1 281 31 31 VAL CG2 C 22.790 0.123 1 282 31 31 VAL N N 118.073 0.002 1 283 32 32 LYS H H 7.615 0.001 1 284 32 32 LYS HA H 3.713 0.005 1 285 32 32 LYS HB2 H 1.736 0.003 2 286 32 32 LYS HB3 H 1.736 0.003 2 287 32 32 LYS HD2 H 1.440 0.004 1 288 32 32 LYS HD3 H 1.579 0.003 1 289 32 32 LYS HE2 H 2.839 0.005 2 290 32 32 LYS HE3 H 2.839 0.005 2 291 32 32 LYS HG2 H 1.415 0.001 2 292 32 32 LYS HG3 H 1.415 0.001 2 293 32 32 LYS CA C 58.456 0.032 1 294 32 32 LYS CB C 31.415 0.083 1 295 32 32 LYS CD C 29.135 0.141 1 296 32 32 LYS CE C 41.472 0.045 1 297 32 32 LYS CG C 23.884 0.013 1 298 32 32 LYS N N 116.628 0.026 1 299 33 33 GLY H H 7.678 0.000 1 300 33 33 GLY HA2 H 3.779 0.003 1 301 33 33 GLY HA3 H 4.168 0.003 1 302 33 33 GLY CA C 44.526 0.007 1 303 33 33 GLY N N 128.031 0.001 1 304 34 34 MET H H 7.649 0.000 1 305 34 34 MET HA H 4.176 0.002 1 306 34 34 MET HB2 H 1.798 0.008 1 307 34 34 MET HB3 H 2.300 0.003 1 308 34 34 MET HG2 H 2.561 0.005 1 309 34 34 MET HG3 H 3.389 0.006 1 310 34 34 MET CA C 57.426 0.094 1 311 34 34 MET CB C 32.812 0.095 1 312 34 34 MET CG C 33.018 0.088 1 313 34 34 MET N N 121.144 0.023 1 314 35 35 LYS H H 8.613 0.002 1 315 35 35 LYS HA H 4.285 0.004 1 316 35 35 LYS HB2 H 1.851 0.005 2 317 35 35 LYS HB3 H 1.851 0.005 2 318 35 35 LYS HD2 H 1.735 0.001 2 319 35 35 LYS HD3 H 1.735 0.001 2 320 35 35 LYS HE2 H 3.046 0.006 2 321 35 35 LYS HE3 H 3.046 0.006 2 322 35 35 LYS HG2 H 1.505 0.009 1 323 35 35 LYS HG3 H 1.592 0.004 1 324 35 35 LYS CA C 57.239 0.029 1 325 35 35 LYS CB C 32.256 0.143 1 326 35 35 LYS CD C 28.564 0.033 1 327 35 35 LYS CE C 41.733 0.004 1 328 35 35 LYS CG C 24.727 0.086 1 329 35 35 LYS N N 125.085 0.035 1 330 36 36 SER H H 8.375 0.002 1 331 36 36 SER HA H 4.475 0.005 1 332 36 36 SER HB2 H 3.595 0.008 1 333 36 36 SER HB3 H 3.788 0.009 1 334 36 36 SER CA C 54.333 0.004 1 335 36 36 SER CB C 62.421 0.112 1 336 36 36 SER N N 113.235 0.012 1 337 38 38 PRO HA H 4.538 0.004 1 338 38 38 PRO HB2 H 2.136 0.004 1 339 38 38 PRO HB3 H 2.416 0.005 1 340 38 38 PRO HD2 H 3.391 0.005 1 341 38 38 PRO HD3 H 3.948 0.000 1 342 38 38 PRO HG2 H 1.936 0.004 1 343 38 38 PRO HG3 H 2.153 0.000 1 344 38 38 PRO CA C 61.602 0.094 1 345 38 38 PRO CB C 31.976 0.110 1 346 38 38 PRO CD C 50.507 0.041 1 347 38 38 PRO CG C 27.453 0.103 1 348 39 39 ALA H H 8.790 0.000 1 349 39 39 ALA HA H 3.867 0.004 1 350 39 39 ALA HB H 1.449 0.003 1 351 39 39 ALA CA C 55.733 0.136 1 352 39 39 ALA CB C 18.185 0.216 1 353 39 39 ALA N N 123.464 0.000 1 354 40 40 GLY H H 8.736 0.000 1 355 40 40 GLY HA2 H 3.872 0.005 2 356 40 40 GLY HA3 H 3.872 0.005 2 357 40 40 GLY CA C 47.367 0.161 1 358 40 40 GLY N N 130.232 0.000 1 359 41 41 VAL H H 6.671 0.000 1 360 41 41 VAL HA H 3.639 0.005 1 361 41 41 VAL HB H 2.026 0.004 1 362 41 41 VAL HG1 H 1.095 0.004 2 363 41 41 VAL HG2 H 1.095 0.005 2 364 41 41 VAL CA C 65.548 0.025 1 365 41 41 VAL CB C 31.980 0.000 1 366 41 41 VAL CG1 C 20.617 0.017 1 367 41 41 VAL CG2 C 22.554 0.118 1 368 41 41 VAL N N 120.120 0.004 1 369 42 42 ARG H H 7.673 0.000 1 370 42 42 ARG HA H 3.965 0.005 1 371 42 42 ARG HB2 H 2.000 0.012 1 372 42 42 ARG HB3 H 1.797 0.003 1 373 42 42 ARG HD2 H 3.057 0.009 2 374 42 42 ARG HD3 H 3.057 0.009 2 375 42 42 ARG HG2 H 1.243 0.005 1 376 42 42 ARG HG3 H 1.403 0.006 1 377 42 42 ARG CA C 60.064 0.086 1 378 42 42 ARG CB C 29.670 0.143 1 379 42 42 ARG CD C 42.900 0.159 1 380 42 42 ARG CG C 28.359 0.065 1 381 42 42 ARG N N 116.119 0.009 1 382 43 43 ARG H H 8.502 0.000 1 383 43 43 ARG HA H 4.210 0.005 1 384 43 43 ARG HB2 H 2.061 0.009 1 385 43 43 ARG HB3 H 2.168 0.007 1 386 43 43 ARG HD2 H 3.152 0.007 2 387 43 43 ARG HD3 H 3.152 0.007 2 388 43 43 ARG HG2 H 1.855 0.003 1 389 43 43 ARG HG3 H 1.919 0.002 1 390 43 43 ARG CA C 59.110 0.056 1 391 43 43 ARG CB C 30.087 0.187 1 392 43 43 ARG CD C 42.734 0.044 1 393 43 43 ARG CG C 27.430 0.035 1 394 43 43 ARG N N 118.952 0.016 1 395 44 44 VAL H H 8.228 0.001 1 396 44 44 VAL HA H 3.788 0.004 1 397 44 44 VAL HB H 2.153 0.005 1 398 44 44 VAL HG1 H 0.966 0.001 2 399 44 44 VAL HG2 H 0.898 0.004 2 400 44 44 VAL CA C 66.513 0.151 1 401 44 44 VAL CG2 C 23.814 0.063 1 402 44 44 VAL N N 118.912 0.023 1 403 45 45 LEU H H 7.800 0.001 1 404 45 45 LEU HA H 4.023 0.003 1 405 45 45 LEU HB2 H 1.793 0.002 1 406 45 45 LEU HB3 H 1.969 0.004 1 407 45 45 LEU HD1 H 0.793 0.002 2 408 45 45 LEU HD2 H 0.893 0.002 2 409 45 45 LEU HG H 1.962 0.003 1 410 45 45 LEU CA C 56.562 0.056 1 411 45 45 LEU CB C 39.255 0.046 1 412 45 45 LEU CD1 C 22.707 0.085 1 413 45 45 LEU CD2 C 25.588 0.110 1 414 45 45 LEU N N 117.513 0.010 1 415 46 46 GLU H H 8.317 0.003 1 416 46 46 GLU HA H 3.366 0.005 1 417 46 46 GLU HB2 H 2.065 0.006 2 418 46 46 GLU HB3 H 2.065 0.006 2 419 46 46 GLU HG2 H 1.390 0.005 1 420 46 46 GLU HG3 H 1.755 0.006 1 421 46 46 GLU CA C 59.897 0.129 1 422 46 46 GLU CB C 29.105 0.072 1 423 46 46 GLU CG C 35.072 0.125 1 424 46 46 GLU N N 122.515 0.107 1 425 47 47 ALA H H 7.732 0.000 1 426 47 47 ALA HA H 3.407 0.002 1 427 47 47 ALA HB H 1.119 0.001 1 428 47 47 ALA CB C 17.174 0.171 1 429 47 47 ALA N N 119.543 0.005 1 430 48 48 ILE H H 7.873 0.000 1 431 48 48 ILE HA H 3.708 0.004 1 432 48 48 ILE HB H 2.265 0.007 1 433 48 48 ILE HD1 H 0.895 0.002 1 434 48 48 ILE HG12 H 1.538 0.005 1 435 48 48 ILE HG13 H 1.925 0.005 1 436 48 48 ILE HG2 H 1.049 0.003 1 437 48 48 ILE CA C 63.098 0.078 1 438 48 48 ILE CB C 35.189 0.024 1 439 48 48 ILE CD1 C 11.292 0.087 1 440 48 48 ILE CG1 C 27.497 0.051 1 441 48 48 ILE CG2 C 18.136 0.068 1 442 48 48 ILE N N 116.124 0.004 1 443 49 49 CYS H H 8.599 0.000 1 444 49 49 CYS HA H 4.026 0.003 1 445 49 49 CYS HB2 H 2.878 0.010 1 446 49 49 CYS HB3 H 3.395 0.006 1 447 49 49 CYS CA C 64.510 0.012 1 448 49 49 CYS CB C 26.962 0.147 1 449 49 49 CYS N N 118.903 0.002 1 450 50 50 ILE H H 8.259 0.001 1 451 50 50 ILE HA H 3.751 0.005 1 452 50 50 ILE HB H 1.815 0.005 1 453 50 50 ILE HD1 H 0.768 0.004 1 454 50 50 ILE HG12 H 1.017 0.010 1 455 50 50 ILE HG13 H 1.675 0.008 1 456 50 50 ILE HG2 H 0.904 0.004 1 457 50 50 ILE CA C 64.751 0.014 1 458 50 50 ILE CB C 37.728 0.061 1 459 50 50 ILE CD1 C 14.182 0.090 1 460 50 50 ILE CG1 C 28.940 0.097 1 461 50 50 ILE CG2 C 17.959 0.121 1 462 50 50 ILE N N 119.766 0.022 1 463 51 51 MET H H 8.210 0.001 1 464 51 51 MET HA H 4.163 0.005 1 465 51 51 MET HB2 H 2.106 0.007 1 466 51 51 MET HB3 H 2.260 0.004 1 467 51 51 MET HG2 H 2.654 0.003 1 468 51 51 MET HG3 H 2.274 0.004 1 469 51 51 MET CA C 58.445 0.038 1 470 51 51 MET CB C 32.429 0.058 1 471 51 51 MET CG C 32.822 0.058 1 472 51 51 MET N N 118.885 0.033 1 473 52 52 LYS H H 8.193 0.002 1 474 52 52 LYS HA H 4.396 0.006 1 475 52 52 LYS HB2 H 1.838 0.003 1 476 52 52 LYS HB3 H 2.150 0.009 1 477 52 52 LYS HD2 H 1.839 0.004 2 478 52 52 LYS HD3 H 1.839 0.004 2 479 52 52 LYS HE2 H 2.940 0.007 1 480 52 52 LYS HE3 H 3.039 0.005 1 481 52 52 LYS HG2 H 1.569 0.002 1 482 52 52 LYS HG3 H 1.730 0.004 1 483 52 52 LYS CA C 56.781 0.045 1 484 52 52 LYS CB C 31.957 0.000 1 485 52 52 LYS CD C 28.392 0.008 1 486 52 52 LYS CE C 40.047 0.087 1 487 52 52 LYS CG C 24.192 0.029 1 488 52 52 LYS N N 114.162 0.034 1 489 53 53 GLY H H 8.069 0.000 1 490 53 53 GLY HA2 H 3.921 0.004 1 491 53 53 GLY HA3 H 4.094 0.004 1 492 53 53 GLY CA C 46.005 0.033 1 493 53 53 GLY N N 110.458 0.002 1 494 54 54 VAL H H 8.672 0.000 1 495 54 54 VAL HA H 3.864 0.007 1 496 54 54 VAL HB H 1.895 0.002 1 497 54 54 VAL HG1 H 0.979 0.004 2 498 54 54 VAL HG2 H 1.026 0.003 2 499 54 54 VAL CA C 62.429 0.032 1 500 54 54 VAL CB C 32.395 0.023 1 501 54 54 VAL CG1 C 21.539 0.075 1 502 54 54 VAL CG2 C 21.539 0.075 1 503 54 54 VAL N N 123.721 0.010 1 504 55 55 LYS H H 8.432 0.001 1 505 55 55 LYS HA H 4.441 0.005 1 506 55 55 LYS HB2 H 1.661 0.005 1 507 55 55 LYS HB3 H 1.803 0.005 1 508 55 55 LYS HD2 H 1.672 0.007 2 509 55 55 LYS HD3 H 1.672 0.007 2 510 55 55 LYS HE2 H 3.006 0.010 2 511 55 55 LYS HE3 H 3.006 0.010 2 512 55 55 LYS HG2 H 1.486 0.001 1 513 55 55 LYS HG3 H 1.570 0.002 1 514 55 55 LYS CA C 53.388 0.087 1 515 55 55 LYS CB C 31.591 0.145 1 516 55 55 LYS CD C 28.469 0.000 1 517 55 55 LYS CE C 40.597 0.063 1 518 55 55 LYS CG C 24.702 0.012 1 519 55 55 LYS N N 128.743 0.033 1 520 56 56 PRO HA H 3.784 0.005 1 521 56 56 PRO HB2 H 0.093 0.004 1 522 56 56 PRO HB3 H 1.249 0.005 1 523 56 56 PRO HD2 H 3.521 0.012 2 524 56 56 PRO HD3 H 3.521 0.012 2 525 56 56 PRO CA C 61.865 0.080 1 526 56 56 PRO CB C 29.899 0.086 1 527 56 56 PRO CD C 48.764 0.093 1 528 57 57 ALA H H 7.519 0.000 1 529 57 57 ALA HA H 4.372 0.008 1 530 57 57 ALA HB H 1.380 0.003 1 531 57 57 ALA CB C 19.619 0.200 1 532 57 57 ALA N N 122.053 0.004 1 533 58 58 ARG H H 8.400 0.000 1 534 58 58 ARG HA H 5.128 0.006 1 535 58 58 ARG HB2 H 1.654 0.005 2 536 58 58 ARG HB3 H 1.654 0.005 2 537 58 58 ARG HD2 H 3.083 0.007 2 538 58 58 ARG HD3 H 3.083 0.007 2 539 58 58 ARG HG2 H 1.542 0.007 2 540 58 58 ARG HG3 H 1.542 0.007 2 541 58 58 ARG CA C 53.659 0.040 1 542 58 58 ARG CB C 29.600 0.014 1 543 58 58 ARG CD C 42.347 0.045 1 544 58 58 ARG CG C 25.645 0.101 1 545 58 58 ARG N N 122.003 0.002 1 546 59 59 VAL H H 9.000 0.001 1 547 59 59 VAL HA H 4.539 0.006 1 548 59 59 VAL HB H 2.064 0.003 1 549 59 59 VAL HG1 H 0.869 0.005 2 550 59 59 VAL HG2 H 0.819 0.004 2 551 59 59 VAL CA C 59.032 0.099 1 552 59 59 VAL CB C 35.453 0.000 1 553 59 59 VAL CG1 C 19.561 0.061 1 554 59 59 VAL CG2 C 20.906 0.122 1 555 59 59 VAL N N 122.237 0.022 1 556 60 60 LYS H H 8.491 0.000 1 557 60 60 LYS HA H 4.484 0.003 1 558 60 60 LYS HB2 H 1.575 0.005 1 559 60 60 LYS HB3 H 1.693 0.006 1 560 60 60 LYS HD2 H 1.585 0.004 2 561 60 60 LYS HD3 H 1.585 0.004 2 562 60 60 LYS HE2 H 2.902 0.004 2 563 60 60 LYS HE3 H 2.902 0.004 2 564 60 60 LYS HG2 H 1.127 0.002 2 565 60 60 LYS HG3 H 1.127 0.002 2 566 60 60 LYS CA C 56.023 0.050 1 567 60 60 LYS CB C 32.459 0.152 1 568 60 60 LYS CD C 28.731 0.087 1 569 60 60 LYS CE C 41.376 0.029 1 570 60 60 LYS CG C 24.308 0.058 1 571 60 60 LYS N N 124.197 0.034 1 572 61 61 ASP H H 9.081 0.000 1 573 61 61 ASP HA H 4.716 0.004 1 574 61 61 ASP HB2 H 2.644 0.001 1 575 61 61 ASP HB3 H 2.964 0.002 1 576 61 61 ASP CA C 53.181 0.052 1 577 61 61 ASP CB C 41.900 0.003 1 578 61 61 ASP N N 128.786 0.000 1 579 62 62 THR H H 8.611 0.000 1 580 62 62 THR HA H 3.855 0.006 1 581 62 62 THR HB H 4.225 0.007 1 582 62 62 THR HG2 H 1.261 0.006 1 583 62 62 THR CA C 64.738 0.079 1 584 62 62 THR CB C 68.361 0.072 1 585 62 62 THR CG2 C 21.717 0.176 1 586 62 62 THR N N 121.378 0.003 1 587 63 63 ALA H H 8.291 0.000 1 588 63 63 ALA HA H 4.265 0.004 1 589 63 63 ALA HB H 1.486 0.004 1 590 63 63 ALA CB C 18.454 0.228 1 591 63 63 ALA N N 122.997 0.001 1 592 64 64 SER H H 7.895 0.000 1 593 64 64 SER HA H 4.522 0.007 1 594 64 64 SER HB2 H 3.843 0.007 1 595 64 64 SER HB3 H 3.954 0.008 1 596 64 64 SER CA C 58.655 0.000 1 597 64 64 SER CB C 65.347 0.068 1 598 64 64 SER N N 110.221 0.002 1 599 65 65 GLY H H 8.364 0.001 1 600 65 65 GLY HA2 H 4.176 0.003 1 601 65 65 GLY HA3 H 3.701 0.005 1 602 65 65 GLY CA C 45.592 0.026 1 603 65 65 GLY N N 112.394 0.001 1 604 66 66 ARG H H 7.797 0.000 1 605 66 66 ARG HA H 4.408 0.005 1 606 66 66 ARG HB2 H 1.655 0.004 1 607 66 66 ARG HB3 H 1.817 0.004 1 608 66 66 ARG HD2 H 3.185 0.004 2 609 66 66 ARG HD3 H 3.185 0.004 2 610 66 66 ARG HG2 H 1.567 0.003 2 611 66 66 ARG HG3 H 1.567 0.003 2 612 66 66 ARG CA C 54.885 0.092 1 613 66 66 ARG CB C 31.595 0.095 1 614 66 66 ARG CD C 42.892 0.000 1 615 66 66 ARG CG C 27.119 0.081 1 616 66 66 ARG N N 119.412 0.006 1 617 67 67 MET H H 8.353 0.000 1 618 67 67 MET HA H 5.104 0.002 1 619 67 67 MET HB2 H 1.651 0.005 1 620 67 67 MET HB3 H 2.002 0.007 1 621 67 67 MET HG2 H 2.562 0.008 1 622 67 67 MET HG3 H 2.610 0.004 1 623 67 67 MET CA C 53.207 0.041 1 624 67 67 MET CB C 30.608 0.094 1 625 67 67 MET CG C 31.416 0.121 1 626 67 67 MET N N 119.085 0.042 1 627 68 68 VAL H H 9.321 0.002 1 628 68 68 VAL HA H 4.562 0.002 1 629 68 68 VAL HB H 2.208 0.002 1 630 68 68 VAL HG1 H 0.891 0.003 2 631 68 68 VAL HG2 H 0.830 0.002 2 632 68 68 VAL CA C 59.213 0.000 1 633 68 68 VAL CB C 35.465 0.012 1 634 68 68 VAL CG1 C 21.108 0.038 1 635 68 68 VAL CG2 C 18.756 0.085 1 636 68 68 VAL N N 119.471 0.004 1 637 69 69 ASP H H 8.253 0.000 1 638 69 69 ASP HA H 5.042 0.002 1 639 69 69 ASP HB2 H 2.091 0.004 1 640 69 69 ASP HB3 H 2.622 0.002 1 641 69 69 ASP CA C 53.591 0.020 1 642 69 69 ASP CB C 41.187 0.005 1 643 69 69 ASP N N 121.485 0.006 1 644 70 70 ASP H H 9.305 0.000 1 645 70 70 ASP HA H 5.005 0.001 1 646 70 70 ASP HB2 H 2.426 0.001 1 647 70 70 ASP HB3 H 2.771 0.001 1 648 70 70 ASP CB C 43.904 0.002 1 649 70 70 ASP N N 123.172 0.000 1 650 71 71 TYR H H 9.498 0.000 1 651 71 71 TYR HA H 4.418 0.004 1 652 71 71 TYR HB2 H 2.960 0.006 1 653 71 71 TYR HB3 H 3.356 0.004 1 654 71 71 TYR HD1 H 7.265 0.003 3 655 71 71 TYR HD2 H 7.265 0.003 3 656 71 71 TYR HE1 H 6.881 0.001 3 657 71 71 TYR HE2 H 6.881 0.001 3 658 71 71 TYR CA C 60.885 0.013 1 659 71 71 TYR CB C 38.784 0.058 1 660 71 71 TYR CD1 C 132.728 0.000 1 661 71 71 TYR CE1 C 118.054 0.016 1 662 71 71 TYR N N 125.082 0.007 1 663 72 72 TRP H H 8.976 0.000 1 664 72 72 TRP HA H 4.796 0.010 1 665 72 72 TRP HB2 H 3.660 0.010 1 666 72 72 TRP HB3 H 3.384 0.003 1 667 72 72 TRP HD1 H 7.319 0.004 1 668 72 72 TRP HE1 H 10.002 0.000 1 669 72 72 TRP HE3 H 7.674 0.010 1 670 72 72 TRP HH2 H 7.145 0.001 1 671 72 72 TRP HZ2 H 7.639 0.005 1 672 72 72 TRP HZ3 H 6.681 0.010 1 673 72 72 TRP CA C 60.451 0.002 1 674 72 72 TRP CB C 29.349 0.065 1 675 72 72 TRP CD1 C 126.137 0.180 1 676 72 72 TRP CE3 C 120.413 0.034 1 677 72 72 TRP CH2 C 124.160 0.006 1 678 72 72 TRP CZ2 C 114.533 0.016 1 679 72 72 TRP CZ3 C 120.437 0.034 1 680 72 72 TRP N N 127.592 0.002 1 681 72 72 TRP NE1 N 127.239 0.006 1 682 73 73 GLU H H 8.472 0.000 1 683 73 73 GLU HA H 3.615 0.005 1 684 73 73 GLU HB2 H 1.857 0.005 2 685 73 73 GLU HB3 H 1.857 0.005 2 686 73 73 GLU HG2 H 2.273 0.003 2 687 73 73 GLU HG3 H 2.273 0.003 2 688 73 73 GLU CA C 58.942 0.053 1 689 73 73 GLU CB C 28.240 0.099 1 690 73 73 GLU CG C 35.252 0.053 1 691 73 73 GLU N N 118.293 0.002 1 692 74 74 ALA H H 7.338 0.000 1 693 74 74 ALA HA H 4.015 0.004 1 694 74 74 ALA HB H 1.490 0.004 1 695 74 74 ALA CB C 18.370 0.237 1 696 74 74 ALA N N 119.779 0.000 1 697 75 75 SER H H 8.430 0.001 1 698 75 75 SER HA H 3.834 0.008 1 699 75 75 SER HB2 H 3.958 0.010 2 700 75 75 SER HB3 H 3.958 0.010 2 701 75 75 SER CA C 62.393 0.000 1 702 75 75 SER CB C 62.599 0.000 1 703 75 75 SER N N 117.043 0.013 1 704 76 76 LYS H H 7.498 0.001 1 705 76 76 LYS HA H 3.240 0.007 1 706 76 76 LYS HB2 H 1.322 0.006 1 707 76 76 LYS HB3 H 1.429 0.006 1 708 76 76 LYS HD2 H 1.390 0.007 1 709 76 76 LYS HD3 H 1.436 0.004 1 710 76 76 LYS HE2 H 2.221 0.007 1 711 76 76 LYS HE3 H 2.610 0.004 1 712 76 76 LYS HG2 H 0.418 0.006 1 713 76 76 LYS HG3 H 0.705 0.003 1 714 76 76 LYS CA C 60.270 0.075 1 715 76 76 LYS CB C 31.428 0.138 1 716 76 76 LYS CD C 29.136 0.128 1 717 76 76 LYS CE C 41.196 0.050 1 718 76 76 LYS CG C 24.567 0.075 1 719 76 76 LYS N N 120.898 0.019 1 720 77 77 LYS H H 6.857 0.001 1 721 77 77 LYS HA H 3.864 0.003 1 722 77 77 LYS HB2 H 1.805 0.008 2 723 77 77 LYS HB3 H 1.805 0.008 2 724 77 77 LYS HD2 H 1.640 0.002 2 725 77 77 LYS HD3 H 1.640 0.002 2 726 77 77 LYS HE2 H 2.937 0.005 2 727 77 77 LYS HE3 H 2.937 0.005 2 728 77 77 LYS HG2 H 1.330 0.004 1 729 77 77 LYS HG3 H 1.468 0.010 1 730 77 77 LYS CA C 58.924 0.025 1 731 77 77 LYS CB C 31.773 0.093 1 732 77 77 LYS CD C 28.798 0.061 1 733 77 77 LYS CE C 41.629 0.050 1 734 77 77 LYS CG C 24.903 0.017 1 735 77 77 LYS N N 115.834 0.023 1 736 78 78 MET H H 7.649 0.000 1 737 78 78 MET HA H 3.966 0.004 1 738 78 78 MET HB2 H 1.950 0.003 1 739 78 78 MET HB3 H 2.244 0.014 1 740 78 78 MET HG2 H 2.054 0.002 1 741 78 78 MET HG3 H 2.551 0.006 1 742 78 78 MET CA C 58.339 0.000 1 743 78 78 MET CB C 32.847 0.045 1 744 78 78 MET CG C 30.173 0.087 1 745 78 78 MET N N 121.234 0.032 1 746 79 79 LEU H H 7.674 0.001 1 747 79 79 LEU HA H 2.970 0.005 1 748 79 79 LEU HB2 H 1.032 0.005 1 749 79 79 LEU HB3 H 1.406 0.005 1 750 79 79 LEU HD1 H 0.091 0.003 2 751 79 79 LEU HD2 H 0.420 0.001 2 752 79 79 LEU HG H 1.417 0.005 1 753 79 79 LEU CA C 55.626 0.131 1 754 79 79 LEU CB C 41.511 0.055 1 755 79 79 LEU CD1 C 22.056 0.043 1 756 79 79 LEU CD2 C 24.776 0.055 1 757 79 79 LEU CG C 25.875 0.050 1 758 79 79 LEU N N 115.356 0.007 1 759 80 80 MET H H 6.966 0.000 1 760 80 80 MET HA H 4.265 0.004 1 761 80 80 MET HB2 H 2.182 0.003 1 762 80 80 MET HB3 H 1.997 0.005 1 763 80 80 MET HG2 H 2.490 0.004 1 764 80 80 MET HG3 H 2.681 0.004 1 765 80 80 MET CA C 54.388 0.144 1 766 80 80 MET CB C 32.165 0.151 1 767 80 80 MET CG C 31.575 0.070 1 768 80 80 MET N N 113.219 0.004 1 769 81 81 GLU H H 7.392 0.000 1 770 81 81 GLU HA H 4.201 0.004 1 771 81 81 GLU HB2 H 2.170 0.004 1 772 81 81 GLU HB3 H 2.091 0.007 1 773 81 81 GLU HG2 H 2.350 0.005 1 774 81 81 GLU HG3 H 2.683 0.004 1 775 81 81 GLU CA C 56.672 0.000 1 776 81 81 GLU CB C 29.461 0.167 1 777 81 81 GLU CG C 36.167 0.086 1 778 81 81 GLU N N 121.109 0.009 1 779 82 82 PHE H H 9.029 0.000 1 780 82 82 PHE HA H 4.342 0.003 1 781 82 82 PHE HB2 H 3.218 0.005 2 782 82 82 PHE HB3 H 3.218 0.005 2 783 82 82 PHE HD1 H 7.326 0.007 3 784 82 82 PHE HD2 H 7.326 0.007 3 785 82 82 PHE HE1 H 7.387 0.001 3 786 82 82 PHE HE2 H 7.387 0.001 3 787 82 82 PHE CA C 59.716 0.112 1 788 82 82 PHE CB C 37.917 0.069 1 789 82 82 PHE CD1 C 131.294 0.007 1 790 82 82 PHE CE1 C 131.160 0.056 1 791 82 82 PHE N N 125.643 0.002 1 792 83 83 ASP H H 8.105 0.000 1 793 83 83 ASP HA H 4.672 0.002 1 794 83 83 ASP HB2 H 2.076 0.009 1 795 83 83 ASP HB3 H 2.795 0.004 1 796 83 83 ASP CA C 51.638 0.036 1 797 83 83 ASP CB C 39.206 0.010 1 798 83 83 ASP N N 117.225 0.003 1 799 84 84 PHE H H 7.491 0.005 1 800 84 84 PHE HA H 4.176 0.005 1 801 84 84 PHE HB2 H 3.603 0.007 1 802 84 84 PHE HB3 H 2.852 0.006 1 803 84 84 PHE HD1 H 7.063 0.002 3 804 84 84 PHE HD2 H 7.063 0.002 3 805 84 84 PHE HE1 H 6.967 0.004 3 806 84 84 PHE HE2 H 6.967 0.004 3 807 84 84 PHE HZ H 6.807 0.005 1 808 84 84 PHE CA C 61.621 0.075 1 809 84 84 PHE CB C 38.499 0.120 1 810 84 84 PHE CD1 C 131.791 0.060 1 811 84 84 PHE CE1 C 129.395 0.036 1 812 84 84 PHE CZ C 128.144 0.022 1 813 84 84 PHE N N 120.428 0.010 1 814 85 85 LEU H H 8.794 0.000 1 815 85 85 LEU HA H 3.363 0.003 1 816 85 85 LEU HB2 H 1.716 0.004 1 817 85 85 LEU HB3 H 1.172 0.005 1 818 85 85 LEU HD1 H 0.675 0.002 2 819 85 85 LEU HD2 H 0.853 0.003 2 820 85 85 LEU HG H 1.725 0.003 1 821 85 85 LEU CA C 57.800 0.080 1 822 85 85 LEU CB C 40.562 0.098 1 823 85 85 LEU CD1 C 23.282 0.057 1 824 85 85 LEU CD2 C 24.964 0.068 1 825 85 85 LEU CG C 27.060 0.084 1 826 85 85 LEU N N 119.865 0.007 1 827 86 86 ASP H H 7.982 0.000 1 828 86 86 ASP HA H 4.230 0.000 1 829 86 86 ASP HB2 H 2.481 0.001 1 830 86 86 ASP HB3 H 2.507 0.002 1 831 86 86 ASP CA C 57.195 0.018 1 832 86 86 ASP CB C 40.226 0.019 1 833 86 86 ASP N N 120.000 0.000 1 834 87 87 SER H H 8.579 0.000 1 835 87 87 SER HA H 4.053 0.008 1 836 87 87 SER HB2 H 3.761 0.006 1 837 87 87 SER HB3 H 3.917 0.009 1 838 87 87 SER CA C 60.931 0.063 1 839 87 87 SER CB C 61.707 0.056 1 840 87 87 SER N N 115.630 0.007 1 841 88 88 LEU H H 6.938 0.001 1 842 88 88 LEU HA H 3.909 0.004 1 843 88 88 LEU HB2 H -0.095 0.006 1 844 88 88 LEU HB3 H 1.183 0.008 1 845 88 88 LEU HD1 H -0.253 0.001 2 846 88 88 LEU HD2 H -0.252 0.002 2 847 88 88 LEU HG H 0.842 0.002 1 848 88 88 LEU CA C 56.092 0.000 1 849 88 88 LEU CB C 38.531 0.081 1 850 88 88 LEU CD1 C 20.106 0.015 1 851 88 88 LEU CD2 C 25.078 0.077 1 852 88 88 LEU CG C 24.918 0.037 1 853 88 88 LEU N N 122.065 0.009 1 854 89 89 ARG H H 7.674 0.002 1 855 89 89 ARG HA H 3.865 0.006 1 856 89 89 ARG HB2 H 1.907 0.006 2 857 89 89 ARG HB3 H 1.907 0.006 2 858 89 89 ARG HD2 H 3.170 0.005 2 859 89 89 ARG HD3 H 3.170 0.005 2 860 89 89 ARG HG2 H 1.515 0.006 1 861 89 89 ARG HG3 H 1.676 0.000 1 862 89 89 ARG CB C 29.733 0.123 1 863 89 89 ARG CD C 42.916 0.000 1 864 89 89 ARG CG C 28.691 0.018 1 865 89 89 ARG N N 119.488 0.014 1 866 90 90 LYS H H 7.804 0.001 1 867 90 90 LYS HA H 4.348 0.006 1 868 90 90 LYS HB2 H 2.021 0.002 2 869 90 90 LYS HB3 H 2.021 0.002 2 870 90 90 LYS HD2 H 1.575 0.009 2 871 90 90 LYS HD3 H 1.575 0.009 2 872 90 90 LYS HE2 H 2.895 0.005 2 873 90 90 LYS HE3 H 2.895 0.005 2 874 90 90 LYS HG2 H 1.412 0.007 2 875 90 90 LYS HG3 H 1.412 0.007 2 876 90 90 LYS CA C 54.931 0.000 1 877 90 90 LYS CB C 31.931 0.066 1 878 90 90 LYS CD C 28.735 0.098 1 879 90 90 LYS CE C 41.618 0.105 1 880 90 90 LYS CG C 24.933 0.014 1 881 90 90 LYS N N 115.798 0.020 1 882 91 91 PHE H H 7.112 0.000 1 883 91 91 PHE HA H 4.140 0.006 1 884 91 91 PHE HB2 H 3.158 0.003 1 885 91 91 PHE HB3 H 3.798 0.003 1 886 91 91 PHE HD1 H 7.111 0.007 3 887 91 91 PHE HD2 H 7.111 0.007 3 888 91 91 PHE HE1 H 7.234 0.000 3 889 91 91 PHE HE2 H 7.234 0.000 3 890 91 91 PHE CA C 59.252 0.050 1 891 91 91 PHE CB C 41.267 0.073 1 892 91 91 PHE CD1 C 131.546 0.029 1 893 91 91 PHE N N 122.795 0.000 1 894 92 92 ASP H H 8.206 0.001 1 895 92 92 ASP HA H 4.723 0.002 1 896 92 92 ASP HB2 H 2.507 0.002 1 897 92 92 ASP HB3 H 2.734 0.004 1 898 92 92 ASP CA C 52.662 0.000 1 899 92 92 ASP CB C 38.088 0.095 1 900 92 92 ASP N N 126.872 0.007 1 901 93 93 LYS H H 8.124 0.001 1 902 93 93 LYS HA H 4.073 0.005 1 903 93 93 LYS HB2 H 1.572 0.006 2 904 93 93 LYS HB3 H 1.572 0.006 2 905 93 93 LYS HD2 H 0.632 0.007 1 906 93 93 LYS HD3 H 1.368 0.008 1 907 93 93 LYS HE2 H 2.779 0.008 2 908 93 93 LYS HE3 H 2.779 0.008 2 909 93 93 LYS HG2 H 1.167 0.000 1 910 93 93 LYS HG3 H 1.519 0.007 1 911 93 93 LYS CA C 57.379 0.000 1 912 93 93 LYS CB C 32.290 0.085 1 913 93 93 LYS CD C 28.755 0.108 1 914 93 93 LYS CE C 41.389 0.169 1 915 93 93 LYS CG C 22.604 0.029 1 916 93 93 LYS N N 125.347 0.025 1 917 94 94 ASP H H 7.843 0.000 1 918 94 94 ASP HA H 4.802 0.008 1 919 94 94 ASP HB2 H 2.203 0.002 1 920 94 94 ASP HB3 H 2.338 0.000 1 921 94 94 ASP CA C 54.799 0.009 1 922 94 94 ASP CB C 41.383 0.000 1 923 94 94 ASP N N 116.657 0.008 1 924 95 95 HIS H H 7.079 0.001 1 925 95 95 HIS HA H 4.965 0.001 1 926 95 95 HIS HB2 H 2.749 0.007 1 927 95 95 HIS HB3 H 3.352 0.004 1 928 95 95 HIS HD2 H 7.357 0.009 1 929 95 95 HIS HE1 H 8.551 0.004 1 930 95 95 HIS CA C 53.809 0.000 1 931 95 95 HIS CB C 28.321 0.106 1 932 95 95 HIS CD2 C 119.753 0.000 1 933 95 95 HIS CE1 C 134.382 0.007 1 934 95 95 HIS N N 117.529 0.004 1 935 96 96 ILE H H 9.128 0.000 1 936 96 96 ILE HA H 4.272 0.007 1 937 96 96 ILE HB H 1.784 0.005 1 938 96 96 ILE HD1 H 0.956 0.003 1 939 96 96 ILE HG12 H 1.110 0.010 1 940 96 96 ILE HG13 H 2.000 0.006 1 941 96 96 ILE HG2 H 1.043 0.004 1 942 96 96 ILE CA C 60.702 0.082 1 943 96 96 ILE CB C 37.807 0.092 1 944 96 96 ILE CD1 C 13.802 0.114 1 945 96 96 ILE CG1 C 27.937 0.077 1 946 96 96 ILE CG2 C 16.838 0.104 1 947 96 96 ILE N N 126.069 0.004 1 948 98 98 PRO HA H 4.276 0.004 1 949 98 98 PRO HB2 H 2.011 0.009 1 950 98 98 PRO HB3 H 2.402 0.008 1 951 98 98 PRO HD2 H 3.940 0.004 2 952 98 98 PRO HD3 H 3.940 0.004 2 953 98 98 PRO HG2 H 2.229 0.007 1 954 98 98 PRO HG3 H 2.084 0.005 1 955 98 98 PRO CA C 64.940 0.068 1 956 98 98 PRO CB C 31.666 0.129 1 957 98 98 PRO CD C 50.473 0.083 1 958 98 98 PRO CG C 27.416 0.011 1 959 99 99 GLU H H 9.499 0.000 1 960 99 99 GLU HA H 4.092 0.002 1 961 99 99 GLU HB2 H 2.048 0.005 2 962 99 99 GLU HB3 H 2.048 0.005 2 963 99 99 GLU HG2 H 2.342 0.010 2 964 99 99 GLU HG3 H 2.342 0.010 2 965 99 99 GLU CA C 58.815 0.068 1 966 99 99 GLU CB C 27.936 0.117 1 967 99 99 GLU CG C 35.883 0.089 1 968 99 99 GLU N N 115.383 0.002 1 969 100 100 VAL H H 7.511 0.000 1 970 100 100 VAL HA H 3.648 0.005 1 971 100 100 VAL HB H 2.347 0.002 1 972 100 100 VAL HG1 H 0.954 0.002 2 973 100 100 VAL HG2 H 1.133 0.004 2 974 100 100 VAL CA C 65.199 0.000 1 975 100 100 VAL CB C 31.500 0.057 1 976 100 100 VAL CG1 C 21.916 0.090 1 977 100 100 VAL CG2 C 22.325 0.013 1 978 100 100 VAL N N 120.032 0.011 1 979 101 101 ILE H H 7.299 0.000 1 980 101 101 ILE HA H 3.819 0.005 1 981 101 101 ILE HB H 2.034 0.004 1 982 101 101 ILE HD1 H 0.677 0.002 1 983 101 101 ILE HG12 H 1.526 0.005 2 984 101 101 ILE HG13 H 1.526 0.005 2 985 101 101 ILE HG2 H 0.972 0.004 1 986 101 101 ILE CA C 61.113 0.045 1 987 101 101 ILE CB C 35.889 0.045 1 988 101 101 ILE CD1 C 9.353 0.073 1 989 101 101 ILE CG1 C 26.003 0.147 1 990 101 101 ILE CG2 C 17.740 0.091 1 991 101 101 ILE N N 119.980 0.007 1 992 102 102 VAL H H 7.797 0.000 1 993 102 102 VAL HA H 3.706 0.005 1 994 102 102 VAL HB H 2.098 0.006 1 995 102 102 VAL HG1 H 0.961 0.004 2 996 102 102 VAL HG2 H 1.042 0.005 2 997 102 102 VAL CA C 65.498 0.033 1 998 102 102 VAL CB C 31.217 0.047 1 999 102 102 VAL CG1 C 20.718 0.109 1 1000 102 102 VAL CG2 C 21.712 0.122 1 1001 102 102 VAL N N 116.880 0.001 1 1002 103 103 LYS H H 7.118 0.000 1 1003 103 103 LYS HA H 4.183 0.003 1 1004 103 103 LYS HB2 H 1.941 0.002 1 1005 103 103 LYS HB3 H 2.063 0.007 1 1006 103 103 LYS HD2 H 1.735 0.002 2 1007 103 103 LYS HD3 H 1.735 0.002 2 1008 103 103 LYS HE2 H 3.014 0.000 2 1009 103 103 LYS HE3 H 3.014 0.000 2 1010 103 103 LYS HG2 H 1.509 0.000 1 1011 103 103 LYS HG3 H 1.734 0.005 1 1012 103 103 LYS CA C 57.599 0.000 1 1013 103 103 LYS CB C 33.313 0.136 1 1014 103 103 LYS CD C 29.170 0.000 1 1015 103 103 LYS CE C 41.733 0.000 1 1016 103 103 LYS CG C 25.717 0.000 1 1017 103 103 LYS N N 117.470 0.004 1 1018 104 104 ILE H H 7.931 0.000 1 1019 104 104 ILE HA H 4.471 0.008 1 1020 104 104 ILE HB H 2.044 0.004 1 1021 104 104 ILE HD1 H 0.685 0.003 1 1022 104 104 ILE HG12 H 1.354 0.003 1 1023 104 104 ILE HG13 H 1.625 0.002 1 1024 104 104 ILE HG2 H 0.829 0.003 1 1025 104 104 ILE CA C 59.983 0.112 1 1026 104 104 ILE CB C 37.824 0.078 1 1027 104 104 ILE CD1 C 11.749 0.089 1 1028 104 104 ILE CG1 C 27.153 0.052 1 1029 104 104 ILE CG2 C 18.083 0.052 1 1030 104 104 ILE N N 114.769 0.005 1 1031 105 105 ARG H H 8.166 0.004 1 1032 105 105 ARG HA H 3.940 0.004 1 1033 105 105 ARG HB2 H 1.827 0.011 1 1034 105 105 ARG HB3 H 1.921 0.007 1 1035 105 105 ARG HD2 H 3.077 0.000 1 1036 105 105 ARG HD3 H 3.129 0.000 1 1037 105 105 ARG HG2 H 1.622 0.000 1 1038 105 105 ARG HG3 H 1.774 0.001 1 1039 105 105 ARG CA C 62.108 0.074 1 1040 105 105 ARG CG C 27.570 0.143 1 1041 105 105 ARG N N 124.108 0.006 1 1042 106 106 PRO HA H 4.157 0.004 1 1043 106 106 PRO HB2 H 1.423 0.006 1 1044 106 106 PRO HB3 H 2.172 0.006 1 1045 106 106 PRO HD2 H 3.450 0.007 1 1046 106 106 PRO HD3 H 3.556 0.004 1 1047 106 106 PRO HG2 H 1.830 0.003 1 1048 106 106 PRO HG3 H 1.884 0.004 1 1049 106 106 PRO CA C 65.166 0.062 1 1050 106 106 PRO CB C 30.699 0.068 1 1051 106 106 PRO CD C 50.018 0.022 1 1052 106 106 PRO CG C 27.877 0.052 1 1053 107 107 PHE H H 7.115 0.000 1 1054 107 107 PHE HA H 3.844 0.005 1 1055 107 107 PHE HB2 H 2.682 0.006 1 1056 107 107 PHE HB3 H 1.392 0.011 1 1057 107 107 PHE HD1 H 7.022 0.002 3 1058 107 107 PHE HD2 H 7.022 0.002 3 1059 107 107 PHE HE1 H 7.203 0.004 3 1060 107 107 PHE HE2 H 7.203 0.004 3 1061 107 107 PHE CA C 59.480 0.095 1 1062 107 107 PHE CB C 36.345 0.059 1 1063 107 107 PHE CD1 C 130.721 0.016 1 1064 107 107 PHE CE1 C 130.823 0.032 1 1065 107 107 PHE N N 114.581 0.001 1 1066 108 108 ALA H H 7.456 0.000 1 1067 108 108 ALA HA H 3.926 0.005 1 1068 108 108 ALA HB H 1.384 0.002 1 1069 108 108 ALA CB C 17.847 0.183 1 1070 108 108 ALA N N 116.695 0.003 1 1071 109 109 GLN H H 7.535 0.000 1 1072 109 109 GLN HA H 4.250 0.006 1 1073 109 109 GLN HB2 H 2.174 0.006 1 1074 109 109 GLN HB3 H 1.836 0.007 1 1075 109 109 GLN HE21 H 6.734 0.001 1 1076 109 109 GLN HE22 H 7.483 0.001 1 1077 109 109 GLN HG2 H 2.395 0.005 2 1078 109 109 GLN HG3 H 2.395 0.005 2 1079 109 109 GLN CA C 54.990 0.120 1 1080 109 109 GLN CB C 28.412 0.130 1 1081 109 109 GLN CG C 33.627 0.143 1 1082 109 109 GLN N N 112.813 0.002 1 1083 109 109 GLN NE2 N 111.246 0.008 1 1084 110 110 ASP H H 7.466 0.000 1 1085 110 110 ASP HA H 4.806 0.004 1 1086 110 110 ASP HB2 H 2.814 0.005 1 1087 110 110 ASP HB3 H 3.351 0.004 1 1088 110 110 ASP CA C 51.286 0.017 1 1089 110 110 ASP CB C 41.724 0.027 1 1090 110 110 ASP N N 123.936 0.001 1 1091 111 111 PRO HA H 4.392 0.006 1 1092 111 111 PRO HB2 H 2.015 0.004 1 1093 111 111 PRO HB3 H 2.413 0.003 1 1094 111 111 PRO HD2 H 4.126 0.005 2 1095 111 111 PRO HD3 H 4.126 0.005 2 1096 111 111 PRO HG2 H 2.117 0.002 1 1097 111 111 PRO HG3 H 2.083 0.001 1 1098 111 111 PRO CA C 64.578 0.086 1 1099 111 111 PRO CB C 31.926 0.078 1 1100 111 111 PRO CD C 50.968 0.031 1 1101 111 111 PRO CG C 27.172 0.000 1 1102 112 112 GLU H H 8.522 0.000 1 1103 112 112 GLU HA H 4.264 0.005 1 1104 112 112 GLU HB2 H 1.937 0.007 2 1105 112 112 GLU HB3 H 1.937 0.007 2 1106 112 112 GLU HG2 H 2.187 0.008 1 1107 112 112 GLU HG3 H 2.368 0.006 1 1108 112 112 GLU CA C 56.255 0.096 1 1109 112 112 GLU CB C 28.745 0.137 1 1110 112 112 GLU CG C 36.769 0.103 1 1111 112 112 GLU N N 114.805 0.004 1 1112 113 113 PHE H H 8.123 0.000 1 1113 113 113 PHE HA H 4.431 0.002 1 1114 113 113 PHE HB2 H 2.861 0.003 1 1115 113 113 PHE HB3 H 3.722 0.005 1 1116 113 113 PHE HD1 H 7.279 0.003 3 1117 113 113 PHE HD2 H 7.279 0.003 3 1118 113 113 PHE HE1 H 7.091 0.007 3 1119 113 113 PHE HE2 H 7.091 0.007 3 1120 113 113 PHE HZ H 6.879 0.003 1 1121 113 113 PHE CA C 55.965 0.088 1 1122 113 113 PHE CB C 41.201 0.121 1 1123 113 113 PHE CD1 C 133.363 0.039 1 1124 113 113 PHE CE1 C 129.906 0.026 1 1125 113 113 PHE CZ C 126.206 0.018 1 1126 113 113 PHE N N 123.089 0.003 1 1127 114 114 GLN H H 6.789 0.000 1 1128 114 114 GLN HA H 4.442 0.006 1 1129 114 114 GLN HB2 H 1.739 0.006 1 1130 114 114 GLN HB3 H 2.369 0.007 1 1131 114 114 GLN HE21 H 6.816 0.000 1 1132 114 114 GLN HE22 H 7.744 0.001 1 1133 114 114 GLN HG2 H 2.414 0.005 1 1134 114 114 GLN HG3 H 2.576 0.009 1 1135 114 114 GLN CA C 52.342 0.061 1 1136 114 114 GLN CB C 29.104 0.263 1 1137 114 114 GLN CG C 34.015 0.187 1 1138 114 114 GLN N N 113.631 0.001 1 1139 114 114 GLN NE2 N 114.545 0.011 1 1140 115 115 PRO HA H 3.830 0.005 1 1141 115 115 PRO HB2 H 1.992 0.010 1 1142 115 115 PRO HB3 H 2.389 0.006 1 1143 115 115 PRO HD2 H 3.698 0.000 2 1144 115 115 PRO HD3 H 3.698 0.000 2 1145 115 115 PRO HG2 H 2.208 0.006 2 1146 115 115 PRO HG3 H 2.208 0.006 2 1147 115 115 PRO CA C 66.494 0.071 1 1148 115 115 PRO CB C 31.531 0.178 1 1149 115 115 PRO CD C 50.188 0.000 1 1150 115 115 PRO CG C 27.424 0.160 1 1151 116 116 LYS H H 8.489 0.000 1 1152 116 116 LYS HA H 4.023 0.003 1 1153 116 116 LYS HB2 H 1.759 0.000 1 1154 116 116 LYS HB3 H 1.839 0.004 1 1155 116 116 LYS HD2 H 1.650 0.004 2 1156 116 116 LYS HD3 H 1.650 0.004 2 1157 116 116 LYS HE2 H 2.951 0.000 2 1158 116 116 LYS HE3 H 2.951 0.000 2 1159 116 116 LYS HG2 H 1.429 0.003 2 1160 116 116 LYS HG3 H 1.429 0.003 2 1161 116 116 LYS CA C 58.172 0.071 1 1162 116 116 LYS CB C 31.338 0.082 1 1163 116 116 LYS CD C 28.437 0.000 1 1164 116 116 LYS CE C 41.467 0.000 1 1165 116 116 LYS CG C 24.706 0.000 1 1166 116 116 LYS N N 113.292 0.007 1 1167 117 117 VAL H H 7.271 0.000 1 1168 117 117 VAL HA H 3.822 0.002 1 1169 117 117 VAL HB H 2.165 0.002 1 1170 117 117 VAL HG1 H 0.988 0.005 2 1171 117 117 VAL HG2 H 0.988 0.005 2 1172 117 117 VAL CA C 64.604 0.058 1 1173 117 117 VAL CB C 32.102 0.114 1 1174 117 117 VAL CG1 C 21.439 0.040 1 1175 117 117 VAL CG2 C 21.439 0.040 1 1176 117 117 VAL N N 118.446 0.004 1 1177 118 118 ILE H H 7.789 0.002 1 1178 118 118 ILE HA H 3.691 0.006 1 1179 118 118 ILE HB H 1.677 0.005 1 1180 118 118 ILE HD1 H 0.626 0.003 1 1181 118 118 ILE HG12 H 1.204 0.008 1 1182 118 118 ILE HG13 H 1.351 0.005 1 1183 118 118 ILE HG2 H 0.687 0.004 1 1184 118 118 ILE CA C 61.357 0.064 1 1185 118 118 ILE CB C 36.628 0.045 1 1186 118 118 ILE CD1 C 9.321 0.123 1 1187 118 118 ILE CG1 C 27.184 0.086 1 1188 118 118 ILE CG2 C 17.003 0.049 1 1189 118 118 ILE N N 120.066 0.043 1 1190 119 119 GLU H H 8.899 0.000 1 1191 119 119 GLU HA H 3.793 0.005 1 1192 119 119 GLU HB2 H 1.893 0.003 1 1193 119 119 GLU HB3 H 2.081 0.003 1 1194 119 119 GLU HG2 H 1.996 0.008 1 1195 119 119 GLU HG3 H 2.277 0.005 1 1196 119 119 GLU CA C 58.807 0.128 1 1197 119 119 GLU CB C 28.350 0.294 1 1198 119 119 GLU CG C 35.338 0.021 1 1199 119 119 GLU N N 120.096 0.008 1 1200 120 120 LYS H H 6.886 0.001 1 1201 120 120 LYS HA H 4.063 0.004 1 1202 120 120 LYS HB2 H 1.862 0.001 1 1203 120 120 LYS HB3 H 1.979 0.008 1 1204 120 120 LYS HD2 H 1.736 0.006 2 1205 120 120 LYS HD3 H 1.736 0.006 2 1206 120 120 LYS HE2 H 3.059 0.001 2 1207 120 120 LYS HE3 H 3.059 0.001 2 1208 120 120 LYS HG2 H 1.615 0.002 2 1209 120 120 LYS HG3 H 1.615 0.002 2 1210 120 120 LYS CA C 57.432 0.000 1 1211 120 120 LYS CB C 31.921 0.101 1 1212 120 120 LYS CD C 28.486 0.000 1 1213 120 120 LYS CE C 41.735 0.000 1 1214 120 120 LYS CG C 24.907 0.009 1 1215 120 120 LYS N N 114.760 0.014 1 1216 121 121 GLN H H 7.915 0.000 1 1217 121 121 GLN HA H 4.322 0.003 1 1218 121 121 GLN HB2 H 2.010 0.003 2 1219 121 121 GLN HB3 H 2.010 0.003 2 1220 121 121 GLN HE21 H 6.875 0.001 1 1221 121 121 GLN HE22 H 7.130 0.000 1 1222 121 121 GLN HG2 H 2.370 0.003 2 1223 121 121 GLN HG3 H 2.370 0.003 2 1224 121 121 GLN CA C 56.201 0.029 1 1225 121 121 GLN N N 116.331 0.004 1 1226 121 121 GLN NE2 N 109.316 0.023 1 1227 122 122 SER H H 8.150 0.001 1 1228 122 122 SER HA H 4.616 0.008 1 1229 122 122 SER HB2 H 3.144 0.008 1 1230 122 122 SER HB3 H 4.123 0.007 1 1231 122 122 SER CA C 56.906 0.117 1 1232 122 122 SER CB C 64.103 0.083 1 1233 122 122 SER N N 112.381 0.007 1 1234 123 123 VAL H H 9.253 0.000 1 1235 123 123 VAL HA H 3.709 0.007 1 1236 123 123 VAL HB H 2.088 0.006 1 1237 123 123 VAL HG1 H 0.967 0.005 2 1238 123 123 VAL HG2 H 1.095 0.003 2 1239 123 123 VAL CA C 66.281 0.097 1 1240 123 123 VAL CB C 31.319 0.136 1 1241 123 123 VAL CG1 C 20.762 0.228 1 1242 123 123 VAL CG2 C 22.101 0.127 1 1243 123 123 VAL N N 107.900 0.004 1 1244 124 124 ALA H H 8.494 0.000 1 1245 124 124 ALA HA H 4.208 0.005 1 1246 124 124 ALA HB H 1.232 0.003 1 1247 124 124 ALA CB C 18.098 0.184 1 1248 124 124 ALA N N 122.580 0.000 1 1249 125 125 CYS H H 8.017 0.000 1 1250 125 125 CYS HA H 4.106 0.003 1 1251 125 125 CYS HB2 H 2.565 0.005 1 1252 125 125 CYS HB3 H 2.697 0.007 1 1253 125 125 CYS CA C 63.288 0.037 1 1254 125 125 CYS CB C 26.108 0.105 1 1255 125 125 CYS N N 112.385 0.003 1 1256 126 126 ALA H H 7.974 0.000 1 1257 126 126 ALA HA H 4.121 0.006 1 1258 126 126 ALA HB H 1.484 0.003 1 1259 126 126 ALA CA C 54.982 0.000 1 1260 126 126 ALA CB C 17.575 0.000 1 1261 126 126 ALA N N 125.897 0.001 1 1262 127 127 GLY H H 7.668 0.000 1 1263 127 127 GLY HA2 H 3.635 0.004 1 1264 127 127 GLY HA3 H 3.844 0.002 1 1265 127 127 GLY CA C 46.771 0.026 1 1266 127 127 GLY N N 107.416 0.001 1 1267 128 128 LEU H H 7.726 0.001 1 1268 128 128 LEU HA H 4.039 0.003 1 1269 128 128 LEU HB2 H 1.889 0.006 1 1270 128 128 LEU HB3 H 1.297 0.006 1 1271 128 128 LEU HD1 H 0.820 0.004 2 1272 128 128 LEU HD2 H 0.568 0.002 2 1273 128 128 LEU HG H 1.804 0.002 1 1274 128 128 LEU CA C 57.587 0.000 1 1275 128 128 LEU CB C 40.713 0.107 1 1276 128 128 LEU CD1 C 24.549 0.077 1 1277 128 128 LEU CD2 C 22.185 0.066 1 1278 128 128 LEU CG C 25.718 0.057 1 1279 128 128 LEU N N 120.337 0.024 1 1280 129 129 CYS H H 8.686 0.000 1 1281 129 129 CYS HA H 3.967 0.004 1 1282 129 129 CYS HB2 H 2.667 0.006 2 1283 129 129 CYS HB3 H 2.667 0.006 2 1284 129 129 CYS CA C 61.340 0.000 1 1285 129 129 CYS CB C 25.171 0.135 1 1286 129 129 CYS N N 118.886 0.000 1 1287 130 130 SER H H 8.005 0.000 1 1288 130 130 SER HA H 4.121 0.009 1 1289 130 130 SER HB2 H 3.987 0.006 1 1290 130 130 SER HB3 H 4.222 0.009 1 1291 130 130 SER CA C 62.121 0.097 1 1292 130 130 SER CB C 62.397 0.086 1 1293 130 130 SER N N 116.677 0.002 1 1294 131 131 TRP H H 7.804 0.000 1 1295 131 131 TRP HA H 3.958 0.006 1 1296 131 131 TRP HB2 H 2.988 0.006 1 1297 131 131 TRP HB3 H 3.845 0.005 1 1298 131 131 TRP HD1 H 6.824 0.007 1 1299 131 131 TRP HE1 H 9.954 0.001 1 1300 131 131 TRP HH2 H 5.780 0.002 1 1301 131 131 TRP HZ2 H 6.978 0.007 1 1302 131 131 TRP HZ3 H 6.578 0.001 1 1303 131 131 TRP CA C 62.453 0.119 1 1304 131 131 TRP CB C 27.672 0.107 1 1305 131 131 TRP CD1 C 124.482 0.183 1 1306 131 131 TRP CH2 C 122.784 0.006 1 1307 131 131 TRP CZ2 C 114.852 0.019 1 1308 131 131 TRP CZ3 C 120.369 0.017 1 1309 131 131 TRP N N 124.248 0.010 1 1310 131 131 TRP NE1 N 129.020 0.007 1 1311 132 132 VAL H H 7.894 0.001 1 1312 132 132 VAL HA H 2.966 0.004 1 1313 132 132 VAL HB H 2.490 0.004 1 1314 132 132 VAL HG1 H 0.921 0.004 2 1315 132 132 VAL HG2 H 1.316 0.002 2 1316 132 132 VAL CA C 66.942 0.096 1 1317 132 132 VAL CB C 31.641 0.077 1 1318 132 132 VAL CG1 C 21.077 0.164 1 1319 132 132 VAL CG2 C 23.194 0.052 1 1320 132 132 VAL N N 117.921 0.004 1 1321 133 133 ILE H H 8.306 0.001 1 1322 133 133 ILE HA H 3.668 0.006 1 1323 133 133 ILE HB H 1.882 0.007 1 1324 133 133 ILE HD1 H 1.115 0.004 1 1325 133 133 ILE HG12 H 1.419 0.006 1 1326 133 133 ILE HG13 H 1.980 0.003 1 1327 133 133 ILE HG2 H 1.047 0.004 1 1328 133 133 ILE CA C 64.641 0.006 1 1329 133 133 ILE CB C 38.475 0.066 1 1330 133 133 ILE CD1 C 14.388 0.070 1 1331 133 133 ILE CG1 C 29.653 0.119 1 1332 133 133 ILE CG2 C 16.576 0.093 1 1333 133 133 ILE N N 116.750 0.024 1 1334 134 134 ALA H H 8.131 0.000 1 1335 134 134 ALA HA H 4.035 0.006 1 1336 134 134 ALA HB H 1.367 0.002 1 1337 134 134 ALA CB C 17.943 0.183 1 1338 134 134 ALA N N 121.378 0.001 1 1339 135 135 LEU H H 8.001 0.001 1 1340 135 135 LEU HA H 3.866 0.008 1 1341 135 135 LEU HB2 H 1.197 0.006 1 1342 135 135 LEU HB3 H 0.906 0.003 1 1343 135 135 LEU HD1 H 0.218 0.001 2 1344 135 135 LEU HD2 H -0.153 0.002 2 1345 135 135 LEU HG H 0.905 0.004 1 1346 135 135 LEU CA C 57.173 0.014 1 1347 135 135 LEU CB C 40.331 0.026 1 1348 135 135 LEU CD1 C 23.694 0.060 1 1349 135 135 LEU CD2 C 24.482 0.064 1 1350 135 135 LEU CG C 27.251 0.039 1 1351 135 135 LEU N N 119.042 0.003 1 1352 136 136 GLU H H 8.135 0.000 1 1353 136 136 GLU HA H 3.716 0.006 1 1354 136 136 GLU CA C 60.794 0.000 1 1355 136 136 GLU N N 120.540 0.000 1 1356 137 137 LYS H H 7.488 0.000 1 1357 137 137 LYS HA H 3.906 0.006 1 1358 137 137 LYS HB2 H 1.997 0.004 2 1359 137 137 LYS HB3 H 1.997 0.004 2 1360 137 137 LYS HD2 H 1.672 0.012 2 1361 137 137 LYS HD3 H 1.672 0.012 2 1362 137 137 LYS HE2 H 2.938 0.006 2 1363 137 137 LYS HE3 H 2.938 0.006 2 1364 137 137 LYS HG2 H 1.485 0.006 1 1365 137 137 LYS HG3 H 1.706 0.005 1 1366 137 137 LYS CA C 58.995 0.117 1 1367 137 137 LYS CB C 32.331 0.000 1 1368 137 137 LYS CD C 29.321 0.000 1 1369 137 137 LYS CE C 41.743 0.000 1 1370 137 137 LYS CG C 25.250 0.093 1 1371 137 137 LYS N N 118.088 0.007 1 1372 138 138 TYR H H 8.543 0.001 1 1373 138 138 TYR HA H 3.758 0.004 1 1374 138 138 TYR HB2 H 2.957 0.005 1 1375 138 138 TYR HB3 H 3.151 0.005 1 1376 138 138 TYR HD1 H 6.833 0.006 3 1377 138 138 TYR HD2 H 6.833 0.006 3 1378 138 138 TYR HE1 H 6.681 0.001 3 1379 138 138 TYR HE2 H 6.681 0.001 3 1380 138 138 TYR CA C 61.792 0.140 1 1381 138 138 TYR CB C 38.737 0.071 1 1382 138 138 TYR CD1 C 131.808 0.026 1 1383 138 138 TYR CE1 C 117.897 0.017 1 1384 138 138 TYR N N 121.242 0.000 1 1385 139 139 ASP H H 8.577 0.000 1 1386 139 139 ASP HA H 4.086 0.001 1 1387 139 139 ASP HB2 H 2.595 0.002 1 1388 139 139 ASP HB3 H 2.657 0.007 1 1389 139 139 ASP CA C 57.213 0.025 1 1390 139 139 ASP CB C 43.383 0.000 1 1391 139 139 ASP N N 118.054 0.003 1 1392 140 140 LYS H H 7.291 0.001 1 1393 140 140 LYS HA H 3.839 0.000 1 1394 140 140 LYS HB2 H 1.897 0.000 1 1395 140 140 LYS HB3 H 1.979 0.000 1 1396 140 140 LYS HD2 H 1.638 0.000 1 1397 140 140 LYS HD3 H 1.692 0.000 1 1398 140 140 LYS HE2 H 2.944 0.000 2 1399 140 140 LYS HE3 H 2.944 0.000 2 1400 140 140 LYS HG2 H 1.487 0.000 2 1401 140 140 LYS HG3 H 1.487 0.000 2 1402 140 140 LYS N N 115.654 0.006 1 1403 141 141 VAL H H 7.570 0.000 1 1404 141 141 VAL HA H 3.775 0.005 1 1405 141 141 VAL HB H 2.006 0.002 1 1406 141 141 VAL HG1 H 0.806 0.003 2 1407 141 141 VAL HG2 H 0.957 0.001 2 1408 141 141 VAL CA C 64.810 0.006 1 1409 141 141 VAL CB C 31.304 0.070 1 1410 141 141 VAL CG1 C 21.415 0.150 1 1411 141 141 VAL CG2 C 21.944 0.066 1 1412 141 141 VAL N N 116.849 0.003 1 1413 142 142 ILE H H 7.968 0.000 1 1414 142 142 ILE HA H 3.916 0.005 1 1415 142 142 ILE HB H 1.643 0.004 1 1416 142 142 ILE HD1 H 0.763 0.006 1 1417 142 142 ILE HG12 H 1.198 0.005 2 1418 142 142 ILE HG13 H 1.198 0.005 2 1419 142 142 ILE HG2 H 0.641 0.003 1 1420 142 142 ILE CA C 62.614 0.075 1 1421 142 142 ILE CB C 37.201 0.150 1 1422 142 142 ILE CD1 C 13.320 0.121 1 1423 142 142 ILE CG1 C 26.898 0.079 1 1424 142 142 ILE CG2 C 17.959 0.099 1 1425 142 142 ILE N N 117.307 0.002 1 1426 143 143 LYS H H 7.681 0.001 1 1427 143 143 LYS HA H 4.167 0.005 1 1428 143 143 LYS HB2 H 1.838 0.009 2 1429 143 143 LYS HB3 H 1.838 0.009 2 1430 143 143 LYS HD2 H 1.626 0.008 2 1431 143 143 LYS HD3 H 1.626 0.008 2 1432 143 143 LYS HE2 H 3.035 0.006 2 1433 143 143 LYS HE3 H 3.035 0.006 2 1434 143 143 LYS HG2 H 1.506 0.003 2 1435 143 143 LYS HG3 H 1.506 0.003 2 1436 143 143 LYS CA C 56.514 0.000 1 1437 143 143 LYS CB C 32.389 0.000 1 1438 143 143 LYS CD C 27.982 0.142 1 1439 143 143 LYS CE C 41.744 0.000 1 1440 143 143 LYS CG C 25.373 0.121 1 1441 143 143 LYS N N 119.993 0.012 1 1442 144 144 GLU H H 7.657 0.000 1 1443 144 144 GLU HA H 4.264 0.005 1 1444 144 144 GLU HB2 H 2.064 0.006 2 1445 144 144 GLU HB3 H 2.064 0.006 2 1446 144 144 GLU HG2 H 2.240 0.009 1 1447 144 144 GLU HG3 H 2.365 0.009 1 1448 144 144 GLU CA C 57.055 0.000 1 1449 144 144 GLU CB C 29.746 0.204 1 1450 144 144 GLU CG C 36.008 0.038 1 1451 144 144 GLU N N 119.410 0.004 1 1452 145 145 VAL H H 7.799 0.000 1 1453 145 145 VAL HA H 4.063 0.004 1 1454 145 145 VAL HB H 2.098 0.002 1 1455 145 145 VAL HG1 H 0.930 0.007 2 1456 145 145 VAL HG2 H 0.930 0.007 2 1457 145 145 VAL CA C 62.248 0.002 1 1458 145 145 VAL CB C 32.224 0.069 1 1459 145 145 VAL CG1 C 20.567 0.131 1 1460 145 145 VAL CG2 C 20.557 0.159 1 1461 145 145 VAL N N 118.801 0.001 1 1462 146 146 GLU H H 8.271 0.000 1 1463 146 146 GLU HA H 4.532 0.003 1 1464 146 146 GLU HB2 H 1.968 0.004 1 1465 146 146 GLU HB3 H 2.021 0.002 1 1466 146 146 GLU HG2 H 2.288 0.002 2 1467 146 146 GLU HG3 H 2.288 0.002 2 1468 146 146 GLU CA C 54.713 0.110 1 1469 146 146 GLU CB C 29.029 0.080 1 1470 146 146 GLU CG C 35.595 0.026 1 1471 146 146 GLU N N 124.700 0.008 1 1472 147 147 PRO HA H 4.392 0.002 1 1473 147 147 PRO HB2 H 1.868 0.004 1 1474 147 147 PRO HB3 H 2.295 0.003 1 1475 147 147 PRO HD2 H 3.809 0.004 1 1476 147 147 PRO HD3 H 3.652 0.001 1 1477 147 147 PRO HG2 H 2.010 0.004 2 1478 147 147 PRO HG3 H 2.010 0.004 2 1479 147 147 PRO CA C 63.155 0.059 1 1480 147 147 PRO CB C 31.629 0.086 1 1481 147 147 PRO CD C 50.264 0.021 1 1482 147 147 PRO CG C 27.078 0.071 1 1483 148 148 LYS H H 8.344 0.004 1 1484 148 148 LYS HA H 4.271 0.005 1 1485 148 148 LYS HB2 H 1.807 0.006 2 1486 148 148 LYS HB3 H 1.807 0.006 2 1487 148 148 LYS HD2 H 1.683 0.000 2 1488 148 148 LYS HD3 H 1.683 0.000 2 1489 148 148 LYS HE2 H 3.002 0.007 2 1490 148 148 LYS HE3 H 3.002 0.007 2 1491 148 148 LYS HG2 H 1.434 0.000 1 1492 148 148 LYS HG3 H 1.491 0.000 1 1493 148 148 LYS CA C 56.009 0.000 1 1494 148 148 LYS CB C 32.360 0.000 1 1495 148 148 LYS CE C 41.694 0.000 1 1496 148 148 LYS CG C 24.490 0.000 1 1497 148 148 LYS N N 120.439 0.015 1 1498 149 149 ARG H H 8.271 0.004 1 1499 149 149 ARG HA H 4.309 0.003 1 1500 149 149 ARG HB2 H 1.776 0.003 1 1501 149 149 ARG HB3 H 1.847 0.003 1 1502 149 149 ARG HD2 H 3.195 0.002 2 1503 149 149 ARG HD3 H 3.195 0.002 2 1504 149 149 ARG HG2 H 1.621 0.005 2 1505 149 149 ARG HG3 H 1.621 0.005 2 1506 149 149 ARG CA C 55.624 0.126 1 1507 149 149 ARG CB C 30.438 0.012 1 1508 149 149 ARG CD C 42.925 0.008 1 1509 149 149 ARG CG C 26.791 0.037 1 1510 149 149 ARG N N 121.692 0.061 1 1511 150 150 GLN H H 8.357 0.000 1 1512 150 150 GLN HA H 4.275 0.008 1 1513 150 150 GLN HB2 H 1.974 0.004 1 1514 150 150 GLN HB3 H 2.069 0.007 1 1515 150 150 GLN HE21 H 7.580 0.001 1 1516 150 150 GLN HE22 H 6.890 0.001 1 1517 150 150 GLN HG2 H 2.360 0.003 2 1518 150 150 GLN HG3 H 2.360 0.003 2 1519 150 150 GLN CA C 55.547 0.117 1 1520 150 150 GLN CB C 29.033 0.177 1 1521 150 150 GLN CG C 33.366 0.069 1 1522 150 150 GLN N N 121.399 0.010 1 1523 150 150 GLN NE2 N 112.468 0.015 1 1524 151 151 LYS H H 8.328 0.002 1 1525 151 151 LYS HA H 4.272 0.005 1 1526 151 151 LYS HB2 H 1.811 0.002 2 1527 151 151 LYS HB3 H 1.811 0.002 2 1528 151 151 LYS HD2 H 1.684 0.000 2 1529 151 151 LYS HD3 H 1.684 0.000 2 1530 151 151 LYS HE2 H 2.995 0.000 2 1531 151 151 LYS HE3 H 2.995 0.000 2 1532 151 151 LYS HG2 H 1.432 0.005 2 1533 151 151 LYS HG3 H 1.432 0.005 2 1534 151 151 LYS CA C 56.009 0.000 1 1535 151 151 LYS CB C 32.420 0.117 1 1536 151 151 LYS CD C 28.692 0.000 1 1537 151 151 LYS CE C 41.694 0.000 1 1538 151 151 LYS CG C 24.490 0.000 1 1539 151 151 LYS N N 122.826 0.046 1 1540 152 152 LEU H H 8.267 0.000 1 1541 152 152 LEU HA H 4.314 0.009 1 1542 152 152 LEU HB2 H 1.578 0.005 1 1543 152 152 LEU HB3 H 1.643 0.006 1 1544 152 152 LEU HD1 H 0.865 0.002 2 1545 152 152 LEU HD2 H 0.919 0.002 2 1546 152 152 LEU HG H 1.623 0.005 1 1547 152 152 LEU CA C 54.825 0.116 1 1548 152 152 LEU CB C 41.973 0.052 1 1549 152 152 LEU CD1 C 23.115 0.036 1 1550 152 152 LEU CD2 C 24.443 0.069 1 1551 152 152 LEU CG C 26.662 0.092 1 1552 152 152 LEU N N 123.701 0.027 1 1553 153 153 ARG H H 8.271 0.004 1 1554 153 153 ARG HA H 4.309 0.003 1 1555 153 153 ARG HB2 H 1.775 0.003 1 1556 153 153 ARG HB3 H 1.847 0.004 1 1557 153 153 ARG HD2 H 3.195 0.002 2 1558 153 153 ARG HD3 H 3.195 0.002 2 1559 153 153 ARG HG2 H 1.621 0.005 2 1560 153 153 ARG HG3 H 1.621 0.005 2 1561 153 153 ARG CA C 55.635 0.138 1 1562 153 153 ARG CB C 30.438 0.012 1 1563 153 153 ARG CD C 42.925 0.008 1 1564 153 153 ARG CG C 26.791 0.037 1 1565 153 153 ARG N N 121.692 0.061 1 1566 154 154 GLU H H 8.433 0.002 1 1567 154 154 GLU HA H 4.265 0.006 1 1568 154 154 GLU HB2 H 1.913 0.002 1 1569 154 154 GLU HB3 H 2.069 0.003 1 1570 154 154 GLU HG2 H 2.252 0.005 2 1571 154 154 GLU HG3 H 2.252 0.005 2 1572 154 154 GLU CA C 56.171 0.144 1 1573 154 154 GLU CB C 29.923 0.082 1 1574 154 154 GLU CG C 35.927 0.015 1 1575 154 154 GLU N N 122.814 0.017 1 1576 155 155 ALA H H 7.941 0.004 1 1577 155 155 ALA HA H 4.096 0.006 1 1578 155 155 ALA HB H 1.326 0.004 1 1579 155 155 ALA CB C 20.143 0.000 1 1580 155 155 ALA N N 130.392 0.010 1 stop_ save_