data_26774 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Resonance Assignments for the Ribosomal Protein S1 280-438 from Mycobacterium tuberculosis ; _BMRB_accession_number 26774 _BMRB_flat_file_name bmr26774.str _Entry_type original _Submission_date 2016-04-11 _Accession_date 2016-04-11 _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 Fu Jinglin . . 2 Liao Xinli . . 3 Huang Biling . . 4 Lin Donghai . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 886 "13C chemical shifts" 662 "15N chemical shifts" 157 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-05-25 update BMRB 'update entry citation' 2017-08-24 original author 'original release' stop_ _Original_release_date 2016-04-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Chemical shift assignments of Ribosomal protein S1 from Mycobacterium tuberculosis ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28258550 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fu Jinglin . . 2 Huang Biling . . 3 Lin Donghai . . 4 Liao Xinli . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 11 _Journal_issue 2 _Journal_ISSN 1874-270X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 133 _Page_last 136 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ribosomal protein S1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'S1-like domains' $Mtb_ribosomal_S1 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_Mtb_ribosomal_S1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Mtb_ribosomal_S1 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 168 _Mol_residue_sequence ; MQEDPWRHFARTHAIGQIVP GKVTKLVPFGAFVRVEEGIE GLVHISELAERHVEVPDQVV AVGDDAMVKVIDIDLERRRI SLSLKQANEDYTEEFDPAKY GMADSYDEQGNYIFPEGFDA ETNEWLEGFEKQRAEWEARY AEAERRHKMHTAQMEKFAAA LEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 MET 2 1 GLN 3 2 GLU 4 3 ASP 5 4 PRO 6 5 TRP 7 6 ARG 8 7 HIS 9 8 PHE 10 9 ALA 11 10 ARG 12 11 THR 13 12 HIS 14 13 ALA 15 14 ILE 16 15 GLY 17 16 GLN 18 17 ILE 19 18 VAL 20 19 PRO 21 20 GLY 22 21 LYS 23 22 VAL 24 23 THR 25 24 LYS 26 25 LEU 27 26 VAL 28 27 PRO 29 28 PHE 30 29 GLY 31 30 ALA 32 31 PHE 33 32 VAL 34 33 ARG 35 34 VAL 36 35 GLU 37 36 GLU 38 37 GLY 39 38 ILE 40 39 GLU 41 40 GLY 42 41 LEU 43 42 VAL 44 43 HIS 45 44 ILE 46 45 SER 47 46 GLU 48 47 LEU 49 48 ALA 50 49 GLU 51 50 ARG 52 51 HIS 53 52 VAL 54 53 GLU 55 54 VAL 56 55 PRO 57 56 ASP 58 57 GLN 59 58 VAL 60 59 VAL 61 60 ALA 62 61 VAL 63 62 GLY 64 63 ASP 65 64 ASP 66 65 ALA 67 66 MET 68 67 VAL 69 68 LYS 70 69 VAL 71 70 ILE 72 71 ASP 73 72 ILE 74 73 ASP 75 74 LEU 76 75 GLU 77 76 ARG 78 77 ARG 79 78 ARG 80 79 ILE 81 80 SER 82 81 LEU 83 82 SER 84 83 LEU 85 84 LYS 86 85 GLN 87 86 ALA 88 87 ASN 89 88 GLU 90 89 ASP 91 90 TYR 92 91 THR 93 92 GLU 94 93 GLU 95 94 PHE 96 95 ASP 97 96 PRO 98 97 ALA 99 98 LYS 100 99 TYR 101 100 GLY 102 101 MET 103 102 ALA 104 103 ASP 105 104 SER 106 105 TYR 107 106 ASP 108 107 GLU 109 108 GLN 110 109 GLY 111 110 ASN 112 111 TYR 113 112 ILE 114 113 PHE 115 114 PRO 116 115 GLU 117 116 GLY 118 117 PHE 119 118 ASP 120 119 ALA 121 120 GLU 122 121 THR 123 122 ASN 124 123 GLU 125 124 TRP 126 125 LEU 127 126 GLU 128 127 GLY 129 128 PHE 130 129 GLU 131 130 LYS 132 131 GLN 133 132 ARG 134 133 ALA 135 134 GLU 136 135 TRP 137 136 GLU 138 137 ALA 139 138 ARG 140 139 TYR 141 140 ALA 142 141 GLU 143 142 ALA 144 143 GLU 145 144 ARG 146 145 ARG 147 146 HIS 148 147 LYS 149 148 MET 150 149 HIS 151 150 THR 152 151 ALA 153 152 GLN 154 153 MET 155 154 GLU 156 155 LYS 157 156 PHE 158 157 ALA 159 158 ALA 160 159 ALA 161 160 LEU 162 161 GLU 163 162 HIS 164 163 HIS 165 164 HIS 166 165 HIS 167 166 HIS 168 167 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $Mtb_ribosomal_S1 'high GC Gram+' 83332 . . Mycobacterium tuberculosis H37Rv 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 $Mtb_ribosomal_S1 'recombinant technology' . Escherichia coli . pET-22b 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 $Mtb_ribosomal_S1 0.5 mM '[U-13C; U-15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' Na2HPO4 20 mM 'natural abundance' NaCl 150 mM 'natural abundance' PMSF 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CCPN _Saveframe_category software _Name CCPN _Version V2.4 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _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_H(CCO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)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_HCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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' 150 . mM pH 6.3 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 DSS P 31 'methyl protons' ppm 0.00 na indirect . . . 0.404808636 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 H(CCO)NH' '3D C(CO)NH' '3D HNCO' '3D HCACO' '3D HNCACB' '3D CBCA(CO)NH' '3D HN(CO)CA' '3D HNCA' '3D 1H-15N NOESY' '3D HCCH-TOCSY' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'S1-like domains' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 2 GLN H H 6.798 0.02 1 2 1 2 GLN HA H 4.296 . 1 3 1 2 GLN HB2 H 2.011 . 2 4 1 2 GLN HB3 H 1.913 . 2 5 1 2 GLN HG2 H 2.300 0.011 1 6 1 2 GLN C C 175.334 . 1 7 1 2 GLN CA C 52.846 . 1 8 1 2 GLN CB C 26.966 . 1 9 1 2 GLN CG C 33.558 . 1 10 1 2 GLN N N 114.136 0.24 1 11 2 3 GLU H H 8.461 0.011 1 12 2 3 GLU HA H 4.256 . 1 13 2 3 GLU HB2 H 1.888 . 2 14 2 3 GLU HB3 H 1.847 0.016 2 15 2 3 GLU HG2 H 2.266 0.022 2 16 2 3 GLU HG3 H 2.217 0.0 2 17 2 3 GLU C C 175.610 0.002 1 18 2 3 GLU CA C 56.272 . 1 19 2 3 GLU CB C 30.840 . 1 20 2 3 GLU CG C 36.262 . 1 21 2 3 GLU N N 123.748 0.111 1 22 3 4 ASP H H 8.533 0.02 1 23 3 4 ASP HA H 4.184 . 1 24 3 4 ASP HB2 H 2.726 . 2 25 3 4 ASP HB3 H 2.207 0.02 2 26 3 4 ASP C C 175.247 0.004 1 27 3 4 ASP CA C 52.226 . 1 28 3 4 ASP CB C 42.034 . 1 29 3 4 ASP N N 124.492 0.229 1 30 4 5 PRO HA H 4.506 0.007 1 31 4 5 PRO HB2 H 2.667 . 1 32 4 5 PRO HD2 H 3.348 . 2 33 4 5 PRO HD3 H 3.038 . 2 34 4 5 PRO C C 173.914 . 1 35 4 5 PRO CA C 59.434 . 1 36 4 5 PRO CB C 30.061 . 1 37 5 6 TRP H H 8.001 0.014 1 38 5 6 TRP HA H 4.570 . 1 39 5 6 TRP HB2 H 3.075 . 2 40 5 6 TRP HB3 H 2.960 0.007 2 41 5 6 TRP HE1 H 10.006 0.022 1 42 5 6 TRP HE3 H 7.224 0.025 1 43 5 6 TRP C C 179.150 . 1 44 5 6 TRP CA C 57.176 . 1 45 5 6 TRP CB C 30.176 . 1 46 5 6 TRP N N 125.332 0.234 1 47 5 6 TRP NE1 N 128.758 0.122 1 48 6 7 ARG HA H 3.952 0.002 1 49 6 7 ARG C C 178.497 . 1 50 6 7 ARG CA C 59.111 0.014 1 51 6 7 ARG CB C 29.617 . 1 52 7 8 HIS H H 8.327 0.012 1 53 7 8 HIS HA H 4.324 . 1 54 7 8 HIS HB2 H 2.985 . 2 55 7 8 HIS HB3 H 3.159 . 2 56 7 8 HIS HD2 H 7.180 . 1 57 7 8 HIS HE1 H 7.913 0.001 1 58 7 8 HIS C C 177.818 . 1 59 7 8 HIS CA C 59.708 . 1 60 7 8 HIS CB C 29.639 . 1 61 7 8 HIS CE1 C 135.671 . 1 62 7 8 HIS N N 117.883 0.14 1 63 8 9 PHE H H 8.466 0.01 1 64 8 9 PHE HA H 5.026 0.016 1 65 8 9 PHE HB2 H 3.162 . 2 66 8 9 PHE HB3 H 2.828 0.021 2 67 8 9 PHE HD1 H 7.051 0.016 1 68 8 9 PHE HD2 H 7.051 0.016 1 69 8 9 PHE HE1 H 7.437 0.014 1 70 8 9 PHE HE2 H 7.437 0.014 1 71 8 9 PHE HZ H 8.079 0.001 1 72 8 9 PHE C C 177.958 . 1 73 8 9 PHE CA C 62.193 . 1 74 8 9 PHE CB C 39.228 . 1 75 8 9 PHE CD1 C 132.012 . 1 76 8 9 PHE CD2 C 132.012 . 1 77 8 9 PHE CE1 C 131.303 . 1 78 8 9 PHE CE2 C 131.303 . 1 79 8 9 PHE CZ C 136.652 . 1 80 8 9 PHE N N 120.645 0.073 1 81 10 11 ARG H H 7.605 0.015 1 82 10 11 ARG C C 177.576 . 1 83 10 11 ARG CA C 58.067 . 1 84 10 11 ARG CB C 30.322 . 1 85 10 11 ARG N N 119.313 0.111 1 86 11 12 THR H H 7.057 0.023 1 87 11 12 THR HA H 4.100 0.021 1 88 11 12 THR HB H 4.053 . 1 89 11 12 THR HG1 H 3.813 . 1 90 11 12 THR HG2 H 1.682 0.02 1 91 11 12 THR C C 173.698 . 1 92 11 12 THR CA C 61.553 . 1 93 11 12 THR CB C 70.400 . 1 94 11 12 THR CG2 C 19.907 . 1 95 11 12 THR N N 105.879 0.109 1 96 12 13 HIS H H 7.200 0.016 1 97 12 13 HIS HA H 4.346 . 1 98 12 13 HIS HB2 H 3.107 . 2 99 12 13 HIS HB3 H 3.022 . 2 100 12 13 HIS HD1 H 9.759 . 1 101 12 13 HIS HD2 H 7.056 0.001 1 102 12 13 HIS HE1 H 8.087 0.0 1 103 12 13 HIS C C 171.679 . 1 104 12 13 HIS CA C 54.848 . 1 105 12 13 HIS CB C 29.881 . 1 106 12 13 HIS CD2 C 120.195 . 1 107 12 13 HIS CE1 C 137.531 . 1 108 12 13 HIS N N 119.435 0.108 1 109 13 14 ALA H H 7.363 0.013 1 110 13 14 ALA HA H 4.322 0.008 1 111 13 14 ALA HB H 1.159 . 1 112 13 14 ALA C C 176.747 . 1 113 13 14 ALA CA C 50.553 . 1 114 13 14 ALA CB C 21.391 . 1 115 13 14 ALA N N 120.877 0.117 1 116 14 15 ILE H H 8.167 0.017 1 117 14 15 ILE HA H 4.268 . 1 118 14 15 ILE HB H 2.295 0.02 1 119 14 15 ILE HG12 H 1.901 . 2 120 14 15 ILE HG13 H 2.122 . 2 121 14 15 ILE HG2 H 0.832 0.014 1 122 14 15 ILE HD1 H 0.902 . 1 123 14 15 ILE C C 177.389 . 1 124 14 15 ILE CA C 63.374 . 1 125 14 15 ILE CB C 37.218 . 1 126 14 15 ILE CG1 C 28.896 . 1 127 14 15 ILE CG2 C 17.569 0.063 1 128 14 15 ILE CD1 C 12.891 . 1 129 14 15 ILE N N 118.750 0.137 1 130 15 16 GLY H H 9.158 0.015 1 131 15 16 GLY HA2 H 3.864 0.011 2 132 15 16 GLY HA3 H 3.959 0.015 2 133 15 16 GLY C C 173.456 . 1 134 15 16 GLY CA C 44.579 . 1 135 15 16 GLY N N 116.627 0.089 1 136 16 17 GLN H H 7.580 0.011 1 137 16 17 GLN HA H 4.026 0.029 1 138 16 17 GLN HB2 H 2.053 0.019 2 139 16 17 GLN HB3 H 1.967 . 2 140 16 17 GLN HG2 H 2.244 0.012 2 141 16 17 GLN HG3 H 2.265 0.018 2 142 16 17 GLN HE21 H 6.788 0.012 1 143 16 17 GLN HE22 H 7.698 0.004 1 144 16 17 GLN C C 174.768 . 1 145 16 17 GLN CA C 55.947 . 1 146 16 17 GLN CB C 30.229 . 1 147 16 17 GLN CG C 34.881 . 1 148 16 17 GLN N N 119.359 0.091 1 149 16 17 GLN NE2 N 111.334 0.127 1 150 17 18 ILE H H 8.157 0.014 1 151 17 18 ILE HA H 4.370 0.012 1 152 17 18 ILE HB H 1.745 . 1 153 17 18 ILE HG12 H 1.510 0.018 2 154 17 18 ILE HG13 H 1.035 0.02 2 155 17 18 ILE HG2 H 0.446 0.019 1 156 17 18 ILE HD1 H 0.885 0.016 1 157 17 18 ILE C C 175.327 . 1 158 17 18 ILE CA C 60.647 . 1 159 17 18 ILE CB C 37.363 0.057 1 160 17 18 ILE CG1 C 28.056 . 1 161 17 18 ILE CG2 C 18.426 0.037 1 162 17 18 ILE CD1 C 13.551 0.024 1 163 17 18 ILE N N 122.423 0.11 1 164 18 19 VAL H H 9.173 0.011 1 165 18 19 VAL HA H 4.123 0.024 1 166 18 19 VAL HB H 1.995 . 1 167 18 19 VAL HG1 H 0.630 0.007 2 168 18 19 VAL HG2 H 0.815 0.006 2 169 18 19 VAL C C 172.384 . 1 170 18 19 VAL CA C 56.787 0.05 1 171 18 19 VAL CB C 33.251 . 1 172 18 19 VAL CG1 C 19.252 0.005 2 173 18 19 VAL CG2 C 22.488 . 2 174 18 19 VAL N N 119.533 0.054 1 175 19 20 PRO HA H 5.403 0.013 1 176 19 20 PRO HB2 H 2.152 . 2 177 19 20 PRO HB3 H 2.548 0.01 2 178 19 20 PRO HG2 H 2.020 . 2 179 19 20 PRO HG3 H 1.831 0.016 2 180 19 20 PRO HD2 H 4.037 . 2 181 19 20 PRO HD3 H 3.082 0.014 2 182 19 20 PRO C C 177.159 . 1 183 19 20 PRO CA C 61.949 0.003 1 184 19 20 PRO CB C 32.325 . 1 185 19 20 PRO CG C 27.746 . 1 186 20 21 GLY H H 8.792 0.011 1 187 20 21 GLY HA2 H 3.924 0.022 2 188 20 21 GLY HA3 H 4.750 0.019 2 189 20 21 GLY C C 172.255 . 1 190 20 21 GLY CA C 44.860 0.054 1 191 20 21 GLY N N 108.109 0.129 1 192 21 22 LYS H H 8.057 0.02 1 193 21 22 LYS HA H 5.231 0.009 1 194 21 22 LYS HB2 H 2.543 . 2 195 21 22 LYS HB3 H 1.986 0.003 2 196 21 22 LYS HG2 H 1.088 0.02 2 197 21 22 LYS HG3 H 1.313 0.005 2 198 21 22 LYS HD2 H 1.671 . 2 199 21 22 LYS HD3 H 1.546 . 2 200 21 22 LYS HE2 H 2.895 . 2 201 21 22 LYS HE3 H 2.730 . 2 202 21 22 LYS HZ H 7.716 . 1 203 21 22 LYS C C 175.979 . 1 204 21 22 LYS CA C 53.323 0.013 1 205 21 22 LYS CB C 36.052 . 1 206 21 22 LYS CG C 23.875 0.03 1 207 21 22 LYS CD C 29.084 . 1 208 21 22 LYS CE C 42.036 . 1 209 21 22 LYS N N 120.910 0.158 1 210 22 23 VAL H H 8.938 0.022 1 211 22 23 VAL HA H 4.281 . 1 212 22 23 VAL HB H 2.001 . 1 213 22 23 VAL HG1 H 0.828 0.022 2 214 22 23 VAL HG2 H 0.805 0.016 2 215 22 23 VAL C C 177.824 . 1 216 22 23 VAL CA C 63.012 0.027 1 217 22 23 VAL CB C 30.926 0.075 1 218 22 23 VAL CG1 C 23.021 . 2 219 22 23 VAL CG2 C 21.304 . 2 220 22 23 VAL N N 125.655 0.112 1 221 23 24 THR H H 9.076 0.012 1 222 23 24 THR HA H 4.420 0.014 1 223 23 24 THR HB H 4.318 0.02 1 224 23 24 THR HG1 H 4.466 . 1 225 23 24 THR HG2 H 1.005 . 1 226 23 24 THR C C 175.736 . 1 227 23 24 THR CA C 62.504 . 1 228 23 24 THR CB C 69.070 . 1 229 23 24 THR CG2 C 17.179 . 1 230 23 24 THR N N 121.247 0.089 1 231 24 25 LYS H H 7.147 0.016 1 232 24 25 LYS HA H 4.352 . 1 233 24 25 LYS HB2 H 1.812 0.008 2 234 24 25 LYS HB3 H 1.814 0.011 2 235 24 25 LYS HG2 H 1.589 . 2 236 24 25 LYS HG3 H 1.534 . 2 237 24 25 LYS HD2 H 1.567 0.007 2 238 24 25 LYS HD3 H 1.586 . 2 239 24 25 LYS HE2 H 2.643 . 2 240 24 25 LYS HE3 H 2.846 . 2 241 24 25 LYS HZ H 7.501 . 1 242 24 25 LYS C C 173.200 . 1 243 24 25 LYS CA C 56.898 . 1 244 24 25 LYS CB C 35.664 . 1 245 24 25 LYS CG C 25.024 . 1 246 24 25 LYS CD C 29.598 . 1 247 24 25 LYS CE C 43.839 . 1 248 24 25 LYS N N 120.537 0.089 1 249 25 26 LEU H H 8.914 0.01 1 250 25 26 LEU HA H 4.287 . 1 251 25 26 LEU HB2 H 1.717 0.005 2 252 25 26 LEU HB3 H 1.678 . 2 253 25 26 LEU HG H 1.491 . 1 254 25 26 LEU HD1 H 0.866 . 2 255 25 26 LEU HD2 H 0.791 . 2 256 25 26 LEU C C 175.386 . 1 257 25 26 LEU CA C 54.279 0.049 1 258 25 26 LEU CB C 42.700 . 1 259 25 26 LEU CG C 26.947 0.018 1 260 25 26 LEU CD1 C 23.173 . 2 261 25 26 LEU CD2 C 25.055 . 2 262 25 26 LEU N N 126.598 0.181 1 263 26 27 VAL H H 8.287 0.017 1 264 26 27 VAL HA H 4.243 . 1 265 26 27 VAL HB H 2.126 0.011 1 266 26 27 VAL HG1 H 0.824 . 2 267 26 27 VAL HG2 H 0.431 . 2 268 26 27 VAL C C 174.964 . 1 269 26 27 VAL CA C 58.531 0.037 1 270 26 27 VAL CB C 32.802 . 1 271 26 27 VAL CG1 C 22.421 . 2 272 26 27 VAL CG2 C 19.555 . 2 273 26 27 VAL N N 116.038 0.17 1 274 28 29 PHE C C 174.931 . 1 275 28 29 PHE CA C 54.644 . 1 276 28 29 PHE CB C 37.679 . 1 277 29 30 GLY H H 7.490 0.014 1 278 29 30 GLY HA2 H 4.521 . 2 279 29 30 GLY HA3 H 4.544 0.023 2 280 29 30 GLY C C 176.781 . 1 281 29 30 GLY CA C 46.032 . 1 282 29 30 GLY N N 108.792 0.122 1 283 30 31 ALA H H 8.447 0.011 1 284 30 31 ALA HA H 4.374 . 1 285 30 31 ALA HB H 1.161 . 1 286 30 31 ALA C C 175.636 . 1 287 30 31 ALA CA C 49.544 . 1 288 30 31 ALA CB C 22.653 . 1 289 30 31 ALA N N 120.005 0.089 1 290 31 32 PHE H H 9.101 0.012 1 291 31 32 PHE HA H 4.934 0.021 1 292 31 32 PHE HB2 H 3.152 . 2 293 31 32 PHE HB3 H 2.693 0.003 2 294 31 32 PHE HD1 H 6.811 0.0 1 295 31 32 PHE HD2 H 6.811 0.0 1 296 31 32 PHE HE1 H 7.154 0.0 1 297 31 32 PHE HE2 H 7.154 0.0 1 298 31 32 PHE HZ H 6.759 0.0 1 299 31 32 PHE C C 175.772 . 1 300 31 32 PHE CA C 58.360 . 1 301 31 32 PHE CB C 40.358 . 1 302 31 32 PHE CD1 C 132.069 . 1 303 31 32 PHE CD2 C 132.069 . 1 304 31 32 PHE CE1 C 133.490 . 1 305 31 32 PHE CE2 C 133.490 . 1 306 31 32 PHE CZ C 133.474 . 1 307 31 32 PHE N N 122.227 0.135 1 308 32 33 VAL H H 8.900 0.011 1 309 32 33 VAL HA H 4.677 0.01 1 310 32 33 VAL HB H 1.697 . 1 311 32 33 VAL HG1 H 0.600 . 2 312 32 33 VAL HG2 H 0.921 . 2 313 32 33 VAL C C 174.279 . 1 314 32 33 VAL CA C 60.271 0.063 1 315 32 33 VAL CB C 35.159 . 1 316 32 33 VAL CG1 C 21.532 . 2 317 32 33 VAL CG2 C 17.361 . 2 318 32 33 VAL N N 120.945 0.085 1 319 33 34 ARG H H 9.256 0.011 1 320 33 34 ARG HA H 4.284 . 1 321 33 34 ARG HB2 H 1.907 0.021 2 322 33 34 ARG HB3 H 2.090 . 2 323 33 34 ARG HG2 H 1.590 0.0 2 324 33 34 ARG HG3 H 1.667 . 2 325 33 34 ARG HD2 H 3.040 . 2 326 33 34 ARG HD3 H 3.240 . 2 327 33 34 ARG HH11 H 6.737 . 1 328 33 34 ARG HH12 H 6.769 . 1 329 33 34 ARG HH21 H 8.089 . 1 330 33 34 ARG HH22 H 8.133 . 1 331 33 34 ARG C C 176.977 . 1 332 33 34 ARG CA C 55.478 . 1 333 33 34 ARG CB C 32.129 . 1 334 33 34 ARG N N 128.331 0.059 1 335 34 35 VAL H H 8.476 0.011 1 336 34 35 VAL HA H 4.640 0.001 1 337 34 35 VAL HB H 1.604 0.014 1 338 34 35 VAL HG1 H 0.791 0.001 2 339 34 35 VAL HG2 H 0.838 0.015 2 340 34 35 VAL C C 174.609 . 1 341 34 35 VAL CA C 61.231 . 1 342 34 35 VAL CB C 30.493 . 1 343 34 35 VAL CG1 C 22.625 . 2 344 34 35 VAL CG2 C 18.055 . 2 345 34 35 VAL N N 121.817 0.087 1 346 35 36 GLU H H 8.060 0.018 1 347 35 36 GLU HA H 4.220 0.017 1 348 35 36 GLU HB2 H 1.831 0.012 2 349 35 36 GLU HB3 H 1.933 . 2 350 35 36 GLU HG2 H 2.159 . 2 351 35 36 GLU HG3 H 2.400 0.002 2 352 35 36 GLU C C 174.981 . 1 353 35 36 GLU CA C 55.527 . 1 354 35 36 GLU CB C 32.939 . 1 355 35 36 GLU CG C 36.337 . 1 356 35 36 GLU N N 121.211 0.166 1 357 36 37 GLU H H 9.185 0.014 1 358 36 37 GLU HA H 3.823 0.01 1 359 36 37 GLU HB2 H 1.932 . 2 360 36 37 GLU HB3 H 1.919 0.024 2 361 36 37 GLU HG2 H 2.160 . 2 362 36 37 GLU HG3 H 2.157 0.005 2 363 36 37 GLU C C 177.115 . 1 364 36 37 GLU CA C 58.571 . 1 365 36 37 GLU CB C 28.552 . 1 366 36 37 GLU CG C 36.035 . 1 367 36 37 GLU N N 122.379 0.066 1 368 37 38 GLY H H 8.501 0.01 1 369 37 38 GLY HA2 H 3.944 . 2 370 37 38 GLY HA3 H 4.061 0.019 2 371 37 38 GLY C C 174.061 . 1 372 37 38 GLY CA C 45.277 . 1 373 37 38 GLY N N 112.867 0.132 1 374 38 39 ILE H H 7.939 0.01 1 375 38 39 ILE HA H 4.300 0.004 1 376 38 39 ILE HB H 1.684 . 1 377 38 39 ILE HG12 H 1.192 . 2 378 38 39 ILE HG13 H 0.638 . 2 379 38 39 ILE HG2 H 0.716 . 1 380 38 39 ILE HD1 H 0.757 . 1 381 38 39 ILE C C 173.277 . 1 382 38 39 ILE CA C 60.355 0.055 1 383 38 39 ILE CB C 37.469 . 1 384 38 39 ILE CG1 C 31.551 . 1 385 38 39 ILE CG2 C 22.483 . 1 386 38 39 ILE CD1 C 13.573 . 1 387 38 39 ILE N N 121.153 0.124 1 388 39 40 GLU H H 8.454 0.009 1 389 39 40 GLU HA H 5.255 0.022 1 390 39 40 GLU HB2 H 1.836 0.006 2 391 39 40 GLU HB3 H 1.979 . 2 392 39 40 GLU HG2 H 2.240 . 2 393 39 40 GLU HG3 H 2.492 . 2 394 39 40 GLU C C 175.738 . 1 395 39 40 GLU CA C 53.926 . 1 396 39 40 GLU CB C 33.469 . 1 397 39 40 GLU CG C 36.289 . 1 398 39 40 GLU N N 126.682 0.185 1 399 40 41 GLY H H 8.652 0.012 1 400 40 41 GLY HA2 H 4.050 0.023 2 401 40 41 GLY HA3 H 4.023 0.022 2 402 40 41 GLY C C 170.661 . 1 403 40 41 GLY CA C 44.169 . 1 404 40 41 GLY N N 108.793 0.15 1 405 41 42 LEU H H 8.202 0.014 1 406 41 42 LEU HA H 4.119 0.011 1 407 41 42 LEU HB2 H 1.523 . 2 408 41 42 LEU HB3 H 1.311 0.006 2 409 41 42 LEU HG H 1.417 . 1 410 41 42 LEU HD1 H 0.413 . 2 411 41 42 LEU HD2 H 0.487 . 2 412 41 42 LEU C C 176.380 . 1 413 41 42 LEU CA C 54.298 . 1 414 41 42 LEU CB C 43.084 . 1 415 41 42 LEU CG C 26.738 0.092 1 416 41 42 LEU CD1 C 25.113 . 2 417 41 42 LEU CD2 C 22.960 . 2 418 41 42 LEU N N 122.426 0.144 1 419 42 43 VAL H H 9.123 0.014 1 420 42 43 VAL HA H 4.066 . 1 421 42 43 VAL HB H 2.046 . 1 422 42 43 VAL HG1 H 0.922 . 2 423 42 43 VAL HG2 H 0.675 0.009 2 424 42 43 VAL C C 174.634 . 1 425 42 43 VAL CA C 60.378 0.082 1 426 42 43 VAL CB C 33.408 . 1 427 42 43 VAL CG1 C 24.463 . 2 428 42 43 VAL CG2 C 20.273 . 2 429 42 43 VAL N N 129.096 0.127 1 430 43 44 HIS H H 9.087 0.02 1 431 43 44 HIS HA H 4.428 . 1 432 43 44 HIS HB2 H 3.242 . 2 433 43 44 HIS HB3 H 3.556 . 2 434 43 44 HIS HD1 H 9.340 . 1 435 43 44 HIS HD2 H 7.132 0.001 1 436 43 44 HIS HE1 H 7.940 0.0 1 437 43 44 HIS C C 177.006 . 1 438 43 44 HIS CA C 58.880 0.044 1 439 43 44 HIS CB C 31.522 0.05 1 440 43 44 HIS CD2 C 119.664 . 1 441 43 44 HIS CE1 C 136.780 . 1 442 43 44 HIS N N 127.501 0.183 1 443 44 45 ILE H H 7.601 0.025 1 444 44 45 ILE HA H 3.684 0.014 1 445 44 45 ILE HB H 1.177 . 1 446 44 45 ILE HG12 H 1.392 . 2 447 44 45 ILE HG13 H 1.133 . 2 448 44 45 ILE HG2 H 0.622 0.005 1 449 44 45 ILE HD1 H 0.510 . 1 450 44 45 ILE C C 176.036 . 1 451 44 45 ILE CA C 64.083 0.06 1 452 44 45 ILE CB C 38.832 0.03 1 453 44 45 ILE CG1 C 28.274 0.063 1 454 44 45 ILE CG2 C 16.257 . 1 455 44 45 ILE CD1 C 14.290 . 1 456 44 45 ILE N N 125.568 0.195 1 457 45 46 SER H H 8.703 0.016 1 458 45 46 SER HA H 4.355 . 1 459 45 46 SER HB2 H 4.029 . 2 460 45 46 SER HB3 H 3.524 . 2 461 45 46 SER HG H 4.575 . 1 462 45 46 SER C C 175.140 . 1 463 45 46 SER CA C 61.100 . 1 464 45 46 SER CB C 63.146 . 1 465 45 46 SER N N 119.173 0.169 1 466 46 47 GLU H H 8.351 0.018 1 467 46 47 GLU HA H 4.479 0.0 1 468 46 47 GLU HB2 H 2.061 . 2 469 46 47 GLU HB3 H 2.121 . 2 470 46 47 GLU HG2 H 2.310 . 2 471 46 47 GLU HG3 H 2.523 . 2 472 46 47 GLU C C 177.109 0.016 1 473 46 47 GLU CA C 55.219 0.003 1 474 46 47 GLU CB C 29.634 . 1 475 46 47 GLU CG C 34.074 . 1 476 46 47 GLU N N 119.440 0.172 1 477 47 48 LEU H H 7.652 0.02 1 478 47 48 LEU HA H 4.221 0.001 1 479 47 48 LEU HB2 H 2.507 . 2 480 47 48 LEU HB3 H 1.722 . 2 481 47 48 LEU HG H 1.424 0.002 1 482 47 48 LEU HD1 H 0.871 . 2 483 47 48 LEU HD2 H 0.595 . 2 484 47 48 LEU C C 173.885 . 1 485 47 48 LEU CA C 56.776 0.01 1 486 47 48 LEU CB C 38.813 . 1 487 47 48 LEU CG C 26.275 . 1 488 47 48 LEU CD1 C 24.316 . 2 489 47 48 LEU CD2 C 23.787 . 2 490 47 48 LEU N N 124.021 0.111 1 491 48 49 ALA H H 7.510 0.014 1 492 48 49 ALA HA H 4.412 0.022 1 493 48 49 ALA HB H 1.386 0.002 1 494 48 49 ALA C C 175.305 . 1 495 48 49 ALA CA C 50.841 . 1 496 48 49 ALA CB C 22.031 . 1 497 48 49 ALA N N 114.088 0.104 1 498 49 50 GLU H H 9.149 0.023 1 499 49 50 GLU HA H 4.058 0.001 1 500 49 50 GLU HB2 H 2.018 . 2 501 49 50 GLU HB3 H 1.995 . 2 502 49 50 GLU HG2 H 2.212 . 2 503 49 50 GLU HG3 H 2.187 . 2 504 49 50 GLU C C 176.300 . 1 505 49 50 GLU CA C 57.868 0.035 1 506 49 50 GLU CB C 29.677 . 1 507 49 50 GLU CG C 36.396 . 1 508 49 50 GLU N N 119.595 0.123 1 509 50 51 ARG H H 7.350 0.012 1 510 50 51 ARG HA H 4.358 . 1 511 50 51 ARG HB2 H 2.274 . 2 512 50 51 ARG HB3 H 2.252 . 2 513 50 51 ARG HG2 H 1.931 0.013 2 514 50 51 ARG HG3 H 2.008 . 2 515 50 51 ARG HD2 H 3.105 . 2 516 50 51 ARG HD3 H 3.032 . 2 517 50 51 ARG C C 174.306 . 1 518 50 51 ARG CA C 54.385 . 1 519 50 51 ARG CB C 31.338 . 1 520 50 51 ARG CG C 26.551 . 1 521 50 51 ARG CD C 43.226 . 1 522 50 51 ARG N N 116.722 0.14 1 523 51 52 HIS H H 8.305 0.022 1 524 51 52 HIS HA H 4.290 0.01 1 525 51 52 HIS HB2 H 3.011 . 2 526 51 52 HIS HB3 H 2.955 0.001 2 527 51 52 HIS HD2 H 7.181 0.001 1 528 51 52 HIS HE1 H 7.982 0.0 1 529 51 52 HIS C C 174.933 . 1 530 51 52 HIS CA C 57.152 0.062 1 531 51 52 HIS CB C 29.396 . 1 532 51 52 HIS CD2 C 119.102 . 1 533 51 52 HIS CE1 C 137.516 . 1 534 51 52 HIS N N 118.437 0.21 1 535 52 53 VAL H H 7.681 0.015 1 536 52 53 VAL HA H 4.045 0.02 1 537 52 53 VAL HB H 1.683 . 1 538 52 53 VAL HG1 H 0.665 0.007 2 539 52 53 VAL HG2 H 0.616 0.013 2 540 52 53 VAL C C 174.284 . 1 541 52 53 VAL CA C 60.593 0.074 1 542 52 53 VAL CB C 33.660 . 1 543 52 53 VAL CG1 C 22.272 . 2 544 52 53 VAL CG2 C 20.205 . 2 545 52 53 VAL N N 123.198 0.137 1 546 53 54 GLU H H 8.478 0.013 1 547 53 54 GLU HA H 4.090 0.001 1 548 53 54 GLU HB2 H 1.960 . 2 549 53 54 GLU HB3 H 1.893 0.0 2 550 53 54 GLU HG2 H 2.253 . 2 551 53 54 GLU HG3 H 2.229 0.018 2 552 53 54 GLU C C 176.693 . 1 553 53 54 GLU CA C 57.790 0.039 1 554 53 54 GLU CB C 31.232 . 1 555 53 54 GLU CG C 36.479 . 1 556 53 54 GLU N N 121.906 0.196 1 557 54 55 VAL H H 7.462 0.022 1 558 54 55 VAL HA H 4.635 0.0 1 559 54 55 VAL HB H 1.890 . 1 560 54 55 VAL HG1 H 0.510 . 2 561 54 55 VAL HG2 H 0.628 0.003 2 562 54 55 VAL C C 174.325 . 1 563 54 55 VAL CA C 57.913 . 1 564 54 55 VAL CB C 34.237 . 1 565 54 55 VAL CG1 C 22.507 . 2 566 54 55 VAL CG2 C 19.302 . 2 567 54 55 VAL N N 112.565 0.09 1 568 55 56 PRO HA H 3.861 0.001 1 569 55 56 PRO HB2 H 2.063 0.002 2 570 55 56 PRO HB3 H 2.044 0.022 2 571 55 56 PRO HG2 H 1.728 . 2 572 55 56 PRO HG3 H 1.677 . 2 573 55 56 PRO C C 176.286 . 1 574 55 56 PRO CA C 65.273 0.022 1 575 55 56 PRO CB C 32.352 . 1 576 55 56 PRO CG C 27.468 . 1 577 56 57 ASP H H 8.854 0.021 1 578 56 57 ASP HA H 4.835 . 1 579 56 57 ASP HB2 H 2.424 0.025 2 580 56 57 ASP HB3 H 2.409 0.011 2 581 56 57 ASP C C 176.716 . 1 582 56 57 ASP CA C 53.725 . 1 583 56 57 ASP CB C 38.725 . 1 584 56 57 ASP N N 113.332 0.16 1 585 57 58 GLN H H 7.472 0.015 1 586 57 58 GLN HA H 3.994 0.001 1 587 57 58 GLN HB2 H 2.004 0.008 2 588 57 58 GLN HB3 H 1.898 . 2 589 57 58 GLN HG2 H 2.347 0.014 2 590 57 58 GLN HG3 H 2.210 . 2 591 57 58 GLN HE21 H 7.490 0.022 1 592 57 58 GLN HE22 H 7.062 0.014 1 593 57 58 GLN C C 176.522 . 1 594 57 58 GLN CA C 57.790 0.029 1 595 57 58 GLN CB C 30.056 . 1 596 57 58 GLN CG C 35.429 . 1 597 57 58 GLN N N 111.561 0.265 1 598 57 58 GLN NE2 N 111.617 0.195 1 599 58 59 VAL H H 7.893 0.02 1 600 58 59 VAL HA H 4.107 0.005 1 601 58 59 VAL HB H 1.712 . 1 602 58 59 VAL HG1 H 0.674 . 2 603 58 59 VAL HG2 H 0.631 . 2 604 58 59 VAL C C 174.515 . 1 605 58 59 VAL CA C 62.626 0.033 1 606 58 59 VAL CB C 34.801 . 1 607 58 59 VAL CG1 C 22.096 . 2 608 58 59 VAL CG2 C 21.367 . 2 609 58 59 VAL N N 112.403 0.097 1 610 59 60 VAL H H 7.566 0.023 1 611 59 60 VAL HA H 4.635 0.004 1 612 59 60 VAL HB H 1.971 0.004 1 613 59 60 VAL HG1 H 0.779 0.023 2 614 59 60 VAL HG2 H 0.554 0.009 2 615 59 60 VAL C C 172.270 . 1 616 59 60 VAL CA C 58.719 0.08 1 617 59 60 VAL CB C 36.904 . 1 618 59 60 VAL CG1 C 22.507 . 2 619 59 60 VAL CG2 C 19.299 . 2 620 59 60 VAL N N 110.873 0.183 1 621 60 61 ALA H H 8.029 0.021 1 622 60 61 ALA HA H 4.522 . 1 623 60 61 ALA HB H 1.185 0.008 1 624 60 61 ALA C C 177.198 . 1 625 60 61 ALA CA C 49.552 . 1 626 60 61 ALA CB C 22.134 . 1 627 60 61 ALA N N 120.967 0.219 1 628 61 62 VAL H H 8.427 0.012 1 629 61 62 VAL HA H 3.055 0.011 1 630 61 62 VAL HB H 1.990 . 1 631 61 62 VAL HG1 H 0.879 0.007 2 632 61 62 VAL HG2 H 0.834 0.015 2 633 61 62 VAL C C 177.488 . 1 634 61 62 VAL CA C 65.761 0.037 1 635 61 62 VAL CB C 30.807 . 1 636 61 62 VAL CG1 C 23.080 . 2 637 61 62 VAL CG2 C 21.434 . 2 638 61 62 VAL N N 119.761 0.083 1 639 62 63 GLY H H 9.103 . 1 640 62 63 GLY HA2 H 3.945 . 2 641 62 63 GLY HA3 H 3.795 0.02 2 642 62 63 GLY C C 174.318 . 1 643 62 63 GLY CA C 44.235 . 1 644 62 63 GLY N N 116.693 0.079 1 645 63 64 ASP H H 8.004 0.021 1 646 63 64 ASP HA H 4.471 0.019 1 647 63 64 ASP HB2 H 2.751 . 2 648 63 64 ASP HB3 H 2.702 0.013 2 649 63 64 ASP C C 176.673 . 1 650 63 64 ASP CA C 55.177 . 1 651 63 64 ASP CB C 40.588 . 1 652 63 64 ASP N N 121.717 0.15 1 653 64 65 ASP H H 8.315 0.013 1 654 64 65 ASP HA H 5.061 0.021 1 655 64 65 ASP HB2 H 2.563 0.003 2 656 64 65 ASP HB3 H 2.365 0.021 2 657 64 65 ASP C C 175.503 . 1 658 64 65 ASP CA C 54.636 . 1 659 64 65 ASP CB C 42.346 . 1 660 64 65 ASP N N 119.536 0.084 1 661 65 66 ALA H H 8.425 0.019 1 662 65 66 ALA HA H 4.535 0.004 1 663 65 66 ALA HB H 0.937 0.006 1 664 65 66 ALA C C 174.808 . 1 665 65 66 ALA CA C 50.805 . 1 666 65 66 ALA CB C 21.503 . 1 667 65 66 ALA N N 122.875 0.155 1 668 66 67 MET H H 9.077 0.014 1 669 66 67 MET HA H 5.130 0.011 1 670 66 67 MET HB2 H 2.139 0.024 2 671 66 67 MET HB3 H 1.985 0.02 2 672 66 67 MET HG2 H 2.447 . 2 673 66 67 MET HG3 H 2.385 0.003 2 674 66 67 MET HE H 1.794 0.016 1 675 66 67 MET C C 175.314 . 1 676 66 67 MET CA C 51.915 0.024 1 677 66 67 MET CB C 28.926 . 1 678 66 67 MET CG C 30.903 . 1 679 66 67 MET N N 120.618 0.068 1 680 67 68 VAL H H 8.601 0.015 1 681 67 68 VAL HA H 4.630 0.003 1 682 67 68 VAL HB H 1.781 . 1 683 67 68 VAL HG1 H 0.730 . 2 684 67 68 VAL HG2 H 0.378 . 2 685 67 68 VAL C C 172.936 . 1 686 67 68 VAL CA C 57.481 0.044 1 687 67 68 VAL CB C 35.430 . 1 688 67 68 VAL CG1 C 22.491 . 2 689 67 68 VAL CG2 C 19.629 . 2 690 67 68 VAL N N 112.046 0.112 1 691 68 69 LYS H H 8.625 0.009 1 692 68 69 LYS HA H 4.612 0.011 1 693 68 69 LYS HB2 H 1.710 0.013 2 694 68 69 LYS HB3 H 1.668 . 2 695 68 69 LYS HG2 H 1.290 0.006 2 696 68 69 LYS HG3 H 1.406 . 2 697 68 69 LYS HD2 H 1.560 . 2 698 68 69 LYS HD3 H 1.610 . 2 699 68 69 LYS HE2 H 3.235 0.006 2 700 68 69 LYS HE3 H 3.171 . 2 701 68 69 LYS HZ H 7.712 . 1 702 68 69 LYS C C 176.281 . 1 703 68 69 LYS CA C 54.436 0.031 1 704 68 69 LYS CB C 29.763 . 1 705 68 69 LYS CG C 24.534 . 1 706 68 69 LYS CD C 26.960 . 1 707 68 69 LYS CE C 41.708 . 1 708 68 69 LYS N N 123.070 0.081 1 709 69 70 VAL H H 8.774 0.015 1 710 69 70 VAL HA H 3.976 0.013 1 711 69 70 VAL HB H 1.683 . 1 712 69 70 VAL HG1 H 0.855 . 2 713 69 70 VAL HG2 H 1.001 0.007 2 714 69 70 VAL C C 179.073 . 1 715 69 70 VAL CA C 62.939 0.019 1 716 69 70 VAL CB C 31.168 . 1 717 69 70 VAL CG1 C 21.585 . 2 718 69 70 VAL CG2 C 20.834 . 2 719 69 70 VAL N N 127.422 0.13 1 720 70 71 ILE HA H 4.222 0.003 1 721 70 71 ILE HB H 1.834 . 1 722 70 71 ILE HG12 H 1.219 . 1 723 70 71 ILE HG2 H 0.673 0.017 1 724 70 71 ILE HD1 H 0.627 . 1 725 70 71 ILE C C 175.722 . 1 726 70 71 ILE CA C 61.301 0.011 1 727 70 71 ILE CB C 37.918 . 1 728 70 71 ILE CG1 C 32.126 . 1 729 70 71 ILE CG2 C 17.761 0.016 1 730 70 71 ILE CD1 C 12.417 . 1 731 71 72 ASP H H 7.611 0.013 1 732 71 72 ASP HA H 4.202 . 1 733 71 72 ASP HB2 H 3.151 . 2 734 71 72 ASP HB3 H 3.105 . 2 735 71 72 ASP C C 174.099 . 1 736 71 72 ASP CA C 54.619 . 1 737 71 72 ASP CB C 43.717 . 1 738 71 72 ASP N N 117.028 0.251 1 739 72 73 ILE H H 8.018 0.021 1 740 72 73 ILE HA H 4.336 0.014 1 741 72 73 ILE HB H 2.261 0.024 1 742 72 73 ILE HG12 H 1.248 . 2 743 72 73 ILE HG13 H 1.308 . 2 744 72 73 ILE HG2 H 0.919 0.014 1 745 72 73 ILE HD1 H 0.803 . 1 746 72 73 ILE C C 173.128 . 1 747 72 73 ILE CA C 61.991 0.034 1 748 72 73 ILE CB C 41.938 . 1 749 72 73 ILE CG1 C 28.283 . 1 750 72 73 ILE CG2 C 17.473 . 1 751 72 73 ILE N N 122.288 0.163 1 752 73 74 ASP H H 8.756 0.011 1 753 73 74 ASP HA H 4.910 0.019 1 754 73 74 ASP HB2 H 2.801 . 2 755 73 74 ASP HB3 H 2.430 0.019 2 756 73 74 ASP C C 176.727 . 1 757 73 74 ASP CA C 51.834 . 1 758 73 74 ASP CB C 41.717 . 1 759 73 74 ASP N N 127.338 0.053 1 760 74 75 LEU H H 8.869 0.01 1 761 74 75 LEU HA H 4.008 0.007 1 762 74 75 LEU HB2 H 1.790 . 2 763 74 75 LEU HB3 H 1.683 0.012 2 764 74 75 LEU HG H 1.627 . 1 765 74 75 LEU HD1 H 0.628 0.011 2 766 74 75 LEU HD2 H 0.895 . 2 767 74 75 LEU C C 178.524 . 1 768 74 75 LEU CA C 57.627 0.096 1 769 74 75 LEU CB C 41.838 . 1 770 74 75 LEU CG C 30.210 . 1 771 74 75 LEU CD1 C 24.116 . 2 772 74 75 LEU CD2 C 27.157 . 2 773 74 75 LEU N N 125.119 0.106 1 774 75 76 GLU H H 8.189 0.011 1 775 75 76 GLU HA H 3.978 0.003 1 776 75 76 GLU HB2 H 2.081 0.019 2 777 75 76 GLU HB3 H 1.910 . 2 778 75 76 GLU HG2 H 2.220 . 2 779 75 76 GLU HG3 H 2.203 0.03 2 780 75 76 GLU C C 178.335 . 1 781 75 76 GLU CA C 58.941 0.059 1 782 75 76 GLU CB C 29.535 . 1 783 75 76 GLU CG C 36.436 . 1 784 75 76 GLU N N 118.662 0.096 1 785 76 77 ARG H H 7.615 0.015 1 786 76 77 ARG HA H 4.042 0.009 1 787 76 77 ARG HB2 H 1.671 0.002 2 788 76 77 ARG HB3 H 1.696 . 2 789 76 77 ARG HG2 H 1.599 . 2 790 76 77 ARG HG3 H 1.440 0.018 2 791 76 77 ARG HD2 H 3.119 . 2 792 76 77 ARG HD3 H 2.997 0.007 2 793 76 77 ARG C C 174.820 . 1 794 76 77 ARG CA C 55.355 0.058 1 795 76 77 ARG CB C 30.056 . 1 796 76 77 ARG CG C 28.070 . 1 797 76 77 ARG CD C 43.391 . 1 798 76 77 ARG N N 115.373 0.191 1 799 77 78 ARG H H 7.330 0.016 1 800 77 78 ARG HA H 4.451 0.001 1 801 77 78 ARG HB2 H 1.922 0.017 2 802 77 78 ARG HB3 H 1.883 0.024 2 803 77 78 ARG HG2 H 1.212 . 1 804 77 78 ARG HD2 H 3.053 . 2 805 77 78 ARG HD3 H 3.224 . 2 806 77 78 ARG C C 174.141 . 1 807 77 78 ARG CA C 56.331 0.08 1 808 77 78 ARG CB C 26.152 . 1 809 77 78 ARG CD C 41.486 . 1 810 77 78 ARG N N 117.422 0.053 1 811 78 79 ARG H H 7.625 0.016 1 812 78 79 ARG HA H 4.852 0.0 1 813 78 79 ARG HB2 H 1.741 . 2 814 78 79 ARG HB3 H 1.718 0.004 2 815 78 79 ARG HG2 H 1.501 . 2 816 78 79 ARG HG3 H 1.473 . 2 817 78 79 ARG HD2 H 3.205 . 2 818 78 79 ARG HD3 H 3.048 0.021 2 819 78 79 ARG C C 174.659 . 1 820 78 79 ARG CA C 54.186 0.017 1 821 78 79 ARG CB C 34.422 . 1 822 78 79 ARG CG C 26.814 . 1 823 78 79 ARG CD C 43.561 . 1 824 78 79 ARG N N 117.206 0.146 1 825 79 80 ILE H H 9.000 0.013 1 826 79 80 ILE HA H 4.847 0.006 1 827 79 80 ILE HB H 1.612 0.018 1 828 79 80 ILE HG12 H 1.167 0.004 2 829 79 80 ILE HG13 H 1.071 0.025 2 830 79 80 ILE HG2 H 0.770 0.019 1 831 79 80 ILE HD1 H 0.629 0.019 1 832 79 80 ILE C C 173.735 . 1 833 79 80 ILE CA C 59.651 0.014 1 834 79 80 ILE CB C 41.626 . 1 835 79 80 ILE CG1 C 27.985 . 1 836 79 80 ILE CG2 C 16.677 . 1 837 79 80 ILE CD1 C 15.156 . 1 838 79 80 ILE N N 123.110 0.106 1 839 80 81 SER H H 8.448 0.008 1 840 80 81 SER HA H 4.426 . 1 841 80 81 SER HB2 H 3.579 . 2 842 80 81 SER HB3 H 3.734 . 2 843 80 81 SER HG H 5.162 . 1 844 80 81 SER C C 173.294 . 1 845 80 81 SER CA C 57.140 . 1 846 80 81 SER CB C 64.293 . 1 847 80 81 SER N N 121.231 0.079 1 848 81 82 LEU H H 8.343 0.018 1 849 81 82 LEU HA H 4.514 0.009 1 850 81 82 LEU HB2 H 1.586 . 2 851 81 82 LEU HB3 H 1.494 . 2 852 81 82 LEU HG H 1.360 . 1 853 81 82 LEU HD1 H 0.861 0.013 2 854 81 82 LEU HD2 H 0.663 . 2 855 81 82 LEU C C 176.310 . 1 856 81 82 LEU CA C 52.580 . 1 857 81 82 LEU CB C 37.421 . 1 858 81 82 LEU CG C 29.249 . 1 859 81 82 LEU N N 125.553 0.175 1 860 82 83 SER H H 8.583 0.015 1 861 82 83 SER HA H 5.088 . 1 862 82 83 SER HB2 H 3.856 . 2 863 82 83 SER HB3 H 3.645 0.002 2 864 82 83 SER HG H 5.409 . 1 865 82 83 SER C C 173.504 . 1 866 82 83 SER CA C 57.904 . 1 867 82 83 SER CB C 64.593 . 1 868 82 83 SER N N 110.050 0.136 1 869 83 84 LEU H H 7.725 . 1 870 83 84 LEU HA H 3.979 0.014 1 871 83 84 LEU HB2 H 1.905 0.0 1 872 83 84 LEU HD1 H 0.845 0.007 2 873 83 84 LEU HD2 H 0.675 . 2 874 83 84 LEU C C 177.082 . 1 875 83 84 LEU CA C 58.680 0.04 1 876 83 84 LEU CB C 38.732 . 1 877 83 84 LEU CG C 27.756 . 1 878 83 84 LEU CD1 C 24.892 . 1 879 84 85 LYS H H 8.247 0.016 1 880 84 85 LYS HA H 4.210 . 1 881 84 85 LYS HB2 H 1.826 0.022 2 882 84 85 LYS HB3 H 1.743 . 2 883 84 85 LYS HG2 H 1.368 0.019 2 884 84 85 LYS HG3 H 1.476 . 2 885 84 85 LYS HD2 H 1.606 . 1 886 84 85 LYS C C 179.446 . 1 887 84 85 LYS CA C 59.652 . 1 888 84 85 LYS CB C 33.384 0.023 1 889 84 85 LYS CG C 25.141 . 1 890 84 85 LYS CD C 29.611 . 1 891 84 85 LYS CE C 42.212 . 1 892 84 85 LYS N N 120.993 0.109 1 893 85 86 GLN C C 178.150 . 1 894 85 86 GLN CA C 58.426 . 1 895 85 86 GLN CB C 30.165 . 1 896 86 87 ALA H H 6.543 0.015 1 897 86 87 ALA HA H 3.769 . 1 898 86 87 ALA HB H 1.295 . 1 899 86 87 ALA C C 179.086 . 1 900 86 87 ALA CA C 55.133 . 1 901 86 87 ALA CB C 17.448 . 1 902 86 87 ALA N N 119.077 0.074 1 903 87 88 ASN H H 7.712 0.015 1 904 87 88 ASN HA H 4.095 0.008 1 905 87 88 ASN HB2 H 3.047 . 2 906 87 88 ASN HB3 H 2.831 . 2 907 87 88 ASN HD21 H 7.256 0.02 1 908 87 88 ASN HD22 H 7.524 0.024 1 909 87 88 ASN C C 178.064 . 1 910 87 88 ASN CA C 55.381 . 1 911 87 88 ASN CB C 36.578 . 1 912 87 88 ASN N N 117.264 0.121 1 913 87 88 ASN ND2 N 113.346 0.277 1 914 88 89 GLU H H 8.058 0.021 1 915 88 89 GLU C C 177.294 . 1 916 88 89 GLU CA C 58.821 . 1 917 88 89 GLU CB C 29.724 . 1 918 88 89 GLU N N 121.320 0.282 1 919 89 90 ASP H H 7.175 0.011 1 920 89 90 ASP HA H 5.083 . 1 921 89 90 ASP HB2 H 2.741 0.001 2 922 89 90 ASP HB3 H 2.714 . 2 923 89 90 ASP C C 176.188 . 1 924 89 90 ASP CA C 53.780 . 1 925 89 90 ASP CB C 41.340 . 1 926 89 90 ASP N N 117.541 0.071 1 927 90 91 TYR H H 7.357 0.018 1 928 90 91 TYR HA H 4.149 0.002 1 929 90 91 TYR HB2 H 2.751 . 2 930 90 91 TYR HB3 H 2.522 0.002 2 931 90 91 TYR HD1 H 7.228 0.005 1 932 90 91 TYR HD2 H 7.228 0.005 1 933 90 91 TYR HE1 H 6.420 . 1 934 90 91 TYR HE2 H 6.420 . 1 935 90 91 TYR HH H 8.916 . 1 936 90 91 TYR C C 175.285 . 1 937 90 91 TYR CA C 59.932 . 1 938 90 91 TYR CB C 38.908 . 1 939 90 91 TYR CD1 C 131.891 . 1 940 90 91 TYR CD2 C 131.891 . 1 941 90 91 TYR N N 121.744 0.105 1 942 91 92 THR H H 7.433 0.01 1 943 91 92 THR HA H 4.157 . 1 944 91 92 THR HB H 3.891 . 1 945 91 92 THR HG1 H 4.078 . 1 946 91 92 THR HG2 H 1.692 . 1 947 91 92 THR C C 172.129 . 1 948 91 92 THR CA C 59.545 . 1 949 91 92 THR CB C 71.092 . 1 950 91 92 THR N N 119.840 0.053 1 951 92 93 GLU H H 8.620 0.013 1 952 92 93 GLU HA H 3.929 0.003 1 953 92 93 GLU HB2 H 1.833 . 2 954 92 93 GLU HB3 H 1.976 . 2 955 92 93 GLU HG2 H 2.361 . 2 956 92 93 GLU HG3 H 2.296 0.007 2 957 92 93 GLU C C 178.008 . 1 958 92 93 GLU CA C 58.376 . 1 959 92 93 GLU CB C 29.578 . 1 960 92 93 GLU CG C 36.593 . 1 961 92 93 GLU N N 123.496 0.165 1 962 93 94 GLU H H 8.019 0.018 1 963 93 94 GLU HA H 4.116 0.007 1 964 93 94 GLU HB2 H 1.758 . 2 965 93 94 GLU HB3 H 1.778 0.007 2 966 93 94 GLU HG2 H 2.117 . 2 967 93 94 GLU HG3 H 2.141 . 2 968 93 94 GLU C C 176.124 . 1 969 93 94 GLU CA C 55.961 . 1 970 93 94 GLU CB C 29.258 . 1 971 93 94 GLU CG C 36.492 . 1 972 93 94 GLU N N 117.159 0.186 1 973 94 95 PHE H H 8.646 0.01 1 974 94 95 PHE HA H 4.099 . 1 975 94 95 PHE HB2 H 2.668 . 2 976 94 95 PHE HB3 H 2.790 0.017 2 977 94 95 PHE HD1 H 6.796 0.0 1 978 94 95 PHE HD2 H 6.796 0.0 1 979 94 95 PHE HE1 H 7.444 0.001 1 980 94 95 PHE HE2 H 7.444 0.001 1 981 94 95 PHE HZ H 6.723 0.019 1 982 94 95 PHE C C 173.326 . 1 983 94 95 PHE CA C 56.095 . 1 984 94 95 PHE CB C 38.998 . 1 985 94 95 PHE CD1 C 133.097 . 1 986 94 95 PHE CD2 C 133.097 . 1 987 94 95 PHE CE1 C 130.703 . 1 988 94 95 PHE CE2 C 130.703 . 1 989 94 95 PHE CZ C 131.041 . 1 990 94 95 PHE N N 127.392 0.204 1 991 95 96 ASP H H 7.780 0.015 1 992 95 96 ASP HA H 4.625 0.003 1 993 95 96 ASP HB2 H 3.289 . 2 994 95 96 ASP HB3 H 2.521 . 2 995 95 96 ASP C C 174.333 . 1 996 95 96 ASP CA C 49.397 0.043 1 997 95 96 ASP CB C 41.440 . 1 998 95 96 ASP N N 130.598 0.114 1 999 96 97 PRO HA H 3.655 0.001 1 1000 96 97 PRO HB2 H 2.011 . 1 1001 96 97 PRO HG2 H 1.863 . 1 1002 96 97 PRO C C 177.977 . 1 1003 96 97 PRO CA C 63.956 0.011 1 1004 96 97 PRO CB C 31.885 . 1 1005 96 97 PRO CG C 26.365 . 1 1006 97 98 ALA H H 7.614 0.016 1 1007 97 98 ALA HA H 3.555 0.005 1 1008 97 98 ALA HB H 1.124 0.002 1 1009 97 98 ALA C C 179.249 . 1 1010 97 98 ALA CA C 54.532 . 1 1011 97 98 ALA CB C 18.601 . 1 1012 97 98 ALA N N 118.119 0.115 1 1013 98 99 LYS H H 7.171 0.018 1 1014 98 99 LYS HA H 3.978 0.014 1 1015 98 99 LYS HB2 H 1.870 0.015 2 1016 98 99 LYS HB3 H 1.714 . 2 1017 98 99 LYS HG2 H 1.026 . 2 1018 98 99 LYS HG3 H 1.174 . 2 1019 98 99 LYS HD2 H 1.439 0.021 2 1020 98 99 LYS HD3 H 1.358 0.013 2 1021 98 99 LYS HE2 H 2.962 . 2 1022 98 99 LYS HE3 H 2.912 . 2 1023 98 99 LYS C C 175.288 . 1 1024 98 99 LYS CA C 57.160 . 1 1025 98 99 LYS CB C 33.329 . 1 1026 98 99 LYS CG C 24.758 . 1 1027 98 99 LYS CD C 30.214 . 1 1028 98 99 LYS CE C 42.290 . 1 1029 98 99 LYS N N 115.184 0.182 1 1030 99 100 TYR H H 6.836 0.025 1 1031 99 100 TYR HA H 3.962 0.009 1 1032 99 100 TYR HB2 H 3.098 . 2 1033 99 100 TYR HB3 H 2.960 0.004 2 1034 99 100 TYR HD1 H 7.160 0.0 1 1035 99 100 TYR HD2 H 7.160 0.0 1 1036 99 100 TYR HE1 H 6.738 0.01 1 1037 99 100 TYR HE2 H 6.738 0.01 1 1038 99 100 TYR C C 176.569 . 1 1039 99 100 TYR CA C 57.130 . 1 1040 99 100 TYR CB C 41.090 . 1 1041 99 100 TYR CD1 C 131.119 . 1 1042 99 100 TYR CD2 C 131.119 . 1 1043 99 100 TYR CE1 C 117.545 . 1 1044 99 100 TYR CE2 C 117.545 . 1 1045 99 100 TYR N N 113.075 0.177 1 1046 100 101 GLY H H 7.781 0.019 1 1047 100 101 GLY HA2 H 4.185 . 2 1048 100 101 GLY HA3 H 4.160 . 2 1049 100 101 GLY C C 174.903 . 1 1050 100 101 GLY CA C 45.690 . 1 1051 100 101 GLY N N 106.355 0.099 1 1052 101 102 MET H H 7.669 0.016 1 1053 101 102 MET HA H 4.798 0.003 1 1054 101 102 MET HB2 H 2.274 . 2 1055 101 102 MET HB3 H 2.234 . 2 1056 101 102 MET HG2 H 2.370 . 2 1057 101 102 MET HG3 H 2.728 . 2 1058 101 102 MET HE H 1.863 . 1 1059 101 102 MET C C 176.049 . 1 1060 101 102 MET CA C 53.860 0.048 1 1061 101 102 MET CB C 31.309 . 1 1062 101 102 MET CG C 32.701 . 1 1063 101 102 MET CE C 18.087 . 1 1064 101 102 MET N N 117.628 0.149 1 1065 102 103 ALA H H 8.054 0.023 1 1066 102 103 ALA HA H 4.022 0.014 1 1067 102 103 ALA HB H 1.367 0.005 1 1068 102 103 ALA C C 178.149 . 1 1069 102 103 ALA CA C 54.982 . 1 1070 102 103 ALA CB C 18.548 . 1 1071 102 103 ALA N N 124.182 0.164 1 1072 103 104 ASP H H 8.585 0.016 1 1073 103 104 ASP HA H 4.450 0.007 1 1074 103 104 ASP HB2 H 2.676 0.009 2 1075 103 104 ASP HB3 H 2.602 0.02 2 1076 103 104 ASP C C 176.490 . 1 1077 103 104 ASP CA C 54.525 . 1 1078 103 104 ASP CB C 39.703 . 1 1079 103 104 ASP N N 114.578 0.173 1 1080 104 105 SER H H 7.854 0.014 1 1081 104 105 SER HA H 4.300 0.009 1 1082 104 105 SER HB2 H 3.777 . 2 1083 104 105 SER HB3 H 3.740 0.002 2 1084 104 105 SER HG H 5.340 0.001 1 1085 104 105 SER C C 170.426 . 1 1086 104 105 SER CA C 58.978 . 1 1087 104 105 SER CB C 64.284 . 1 1088 104 105 SER N N 115.712 0.182 1 1089 105 106 TYR H H 7.412 0.02 1 1090 105 106 TYR HA H 5.052 0.001 1 1091 105 106 TYR HB2 H 2.540 0.016 2 1092 105 106 TYR HB3 H 2.590 . 2 1093 105 106 TYR HD1 H 7.870 0.0 1 1094 105 106 TYR HD2 H 7.870 0.0 1 1095 105 106 TYR HE1 H 6.845 0.01 1 1096 105 106 TYR HE2 H 6.845 0.01 1 1097 105 106 TYR HH H 8.583 . 1 1098 105 106 TYR C C 175.703 . 1 1099 105 106 TYR CA C 55.997 . 1 1100 105 106 TYR CB C 42.184 . 1 1101 105 106 TYR CD1 C 137.621 . 1 1102 105 106 TYR CD2 C 137.621 . 1 1103 105 106 TYR CE1 C 120.181 . 1 1104 105 106 TYR CE2 C 120.181 . 1 1105 105 106 TYR N N 116.790 0.295 1 1106 106 107 ASP H H 8.643 0.009 1 1107 106 107 ASP HA H 4.607 . 1 1108 106 107 ASP HB2 H 3.268 0.021 2 1109 106 107 ASP HB3 H 2.518 0.003 2 1110 106 107 ASP C C 178.379 . 1 1111 106 107 ASP CA C 51.860 . 1 1112 106 107 ASP CB C 41.059 . 1 1113 106 107 ASP N N 120.966 0.156 1 1114 107 108 GLU H H 8.789 0.011 1 1115 107 108 GLU HA H 4.006 0.013 1 1116 107 108 GLU HB2 H 2.002 . 2 1117 107 108 GLU HB3 H 1.992 0.016 2 1118 107 108 GLU HG2 H 2.256 0.011 2 1119 107 108 GLU HG3 H 2.474 0.011 2 1120 107 108 GLU C C 177.435 . 1 1121 107 108 GLU CA C 58.854 0.054 1 1122 107 108 GLU CB C 28.986 . 1 1123 107 108 GLU CG C 36.473 . 1 1124 107 108 GLU N N 117.440 0.193 1 1125 108 109 GLN H H 7.943 0.017 1 1126 108 109 GLN HA H 4.343 . 1 1127 108 109 GLN HB2 H 1.939 0.003 2 1128 108 109 GLN HB3 H 1.950 0.012 2 1129 108 109 GLN HG2 H 2.273 0.008 2 1130 108 109 GLN HG3 H 2.237 0.008 2 1131 108 109 GLN HE21 H 7.489 0.022 1 1132 108 109 GLN HE22 H 6.750 0.018 1 1133 108 109 GLN C C 175.916 . 1 1134 108 109 GLN CA C 55.571 . 1 1135 108 109 GLN CB C 29.113 . 1 1136 108 109 GLN CG C 34.588 . 1 1137 108 109 GLN N N 117.217 0.217 1 1138 108 109 GLN NE2 N 112.377 0.216 1 1139 109 110 GLY H H 8.088 0.011 1 1140 109 110 GLY HA2 H 4.110 0.007 2 1141 109 110 GLY HA3 H 3.527 0.009 2 1142 109 110 GLY C C 174.384 . 1 1143 109 110 GLY CA C 45.278 . 1 1144 109 110 GLY N N 108.162 0.186 1 1145 110 111 ASN H H 8.636 0.011 1 1146 110 111 ASN HA H 4.690 0.019 1 1147 110 111 ASN HB2 H 2.875 0.009 2 1148 110 111 ASN HB3 H 2.514 0.015 2 1149 110 111 ASN HD21 H 7.007 0.011 1 1150 110 111 ASN HD22 H 8.457 0.016 1 1151 110 111 ASN C C 174.731 . 1 1152 110 111 ASN CA C 52.945 . 1 1153 110 111 ASN CB C 38.692 . 1 1154 110 111 ASN N N 120.240 0.115 1 1155 110 111 ASN ND2 N 118.515 0.077 1 1156 111 112 TYR H H 8.553 0.01 1 1157 111 112 TYR HA H 3.915 0.0 1 1158 111 112 TYR HB2 H 2.730 0.013 2 1159 111 112 TYR HB3 H 2.273 . 2 1160 111 112 TYR HD1 H 7.775 0.001 1 1161 111 112 TYR HD2 H 7.775 0.001 1 1162 111 112 TYR HE1 H 6.817 0.0 1 1163 111 112 TYR HE2 H 6.817 0.0 1 1164 111 112 TYR HH H 9.019 . 1 1165 111 112 TYR C C 174.723 . 1 1166 111 112 TYR CA C 58.321 . 1 1167 111 112 TYR CB C 38.627 . 1 1168 111 112 TYR CD1 C 137.651 . 1 1169 111 112 TYR CD2 C 137.651 . 1 1170 111 112 TYR CE1 C 118.976 . 1 1171 111 112 TYR CE2 C 118.976 . 1 1172 111 112 TYR N N 123.653 0.099 1 1173 112 113 ILE H H 7.636 0.014 1 1174 112 113 ILE HA H 3.701 0.014 1 1175 112 113 ILE HB H 1.810 . 1 1176 112 113 ILE HG12 H 1.157 . 2 1177 112 113 ILE HG13 H 1.128 0.008 2 1178 112 113 ILE HG2 H 0.603 0.012 1 1179 112 113 ILE HD1 H 0.574 . 1 1180 112 113 ILE C C 174.280 . 1 1181 112 113 ILE CA C 59.447 0.053 1 1182 112 113 ILE CB C 38.662 . 1 1183 112 113 ILE CG1 C 26.544 . 1 1184 112 113 ILE CG2 C 17.147 . 1 1185 112 113 ILE CD1 C 13.200 . 1 1186 112 113 ILE N N 129.526 0.166 1 1187 113 114 PHE H H 7.812 0.016 1 1188 113 114 PHE HA H 3.964 . 1 1189 113 114 PHE HB2 H 2.502 . 2 1190 113 114 PHE HB3 H 2.274 . 2 1191 113 114 PHE HD1 H 6.831 0.01 1 1192 113 114 PHE HD2 H 6.831 0.01 1 1193 113 114 PHE C C 173.909 . 1 1194 113 114 PHE CA C 56.907 . 1 1195 113 114 PHE CB C 38.286 . 1 1196 113 114 PHE CD1 C 133.499 . 1 1197 113 114 PHE CD2 C 133.499 . 1 1198 113 114 PHE N N 125.068 0.187 1 1199 114 115 PRO HA H 4.231 0.001 1 1200 114 115 PRO HB2 H 2.454 . 2 1201 114 115 PRO HB3 H 2.070 . 2 1202 114 115 PRO HG2 H 1.690 . 2 1203 114 115 PRO HG3 H 1.654 0.011 2 1204 114 115 PRO HD2 H 3.719 . 2 1205 114 115 PRO HD3 H 3.275 . 2 1206 114 115 PRO C C 176.291 . 1 1207 114 115 PRO CA C 62.129 . 1 1208 114 115 PRO CB C 32.084 . 1 1209 114 115 PRO CG C 26.228 . 1 1210 115 116 GLU H H 8.236 0.013 1 1211 115 116 GLU HA H 3.818 . 1 1212 115 116 GLU HB2 H 1.933 . 2 1213 115 116 GLU HB3 H 2.109 . 2 1214 115 116 GLU HG2 H 2.130 0.001 2 1215 115 116 GLU HG3 H 1.886 . 2 1216 115 116 GLU C C 175.837 . 1 1217 115 116 GLU CA C 58.015 . 1 1218 115 116 GLU CB C 29.581 . 1 1219 115 116 GLU CG C 36.357 . 1 1220 115 116 GLU N N 122.941 0.137 1 1221 116 117 GLY H H 8.102 0.006 1 1222 116 117 GLY HA2 H 3.604 . 2 1223 116 117 GLY HA3 H 3.884 . 2 1224 116 117 GLY C C 170.908 . 1 1225 116 117 GLY CA C 44.097 . 1 1226 116 117 GLY N N 111.433 0.09 1 1227 117 118 PHE H H 7.208 0.019 1 1228 117 118 PHE HA H 3.637 0.002 1 1229 117 118 PHE HB2 H 2.168 . 2 1230 117 118 PHE HB3 H 2.591 . 2 1231 117 118 PHE HD1 H 6.546 0.0 1 1232 117 118 PHE HD2 H 6.546 0.0 1 1233 117 118 PHE HE1 H 7.050 0.017 1 1234 117 118 PHE HE2 H 7.050 0.017 1 1235 117 118 PHE HZ H 7.105 0.0 1 1236 117 118 PHE C C 173.564 . 1 1237 117 118 PHE CA C 56.396 . 1 1238 117 118 PHE CB C 40.378 . 1 1239 117 118 PHE CD1 C 130.707 . 1 1240 117 118 PHE CD2 C 130.707 . 1 1241 117 118 PHE CE1 C 132.944 . 1 1242 117 118 PHE CE2 C 132.944 . 1 1243 117 118 PHE CZ C 132.094 . 1 1244 117 118 PHE N N 120.506 0.151 1 1245 118 119 ASP H H 7.612 0.016 1 1246 118 119 ASP HA H 4.196 0.01 1 1247 118 119 ASP HB2 H 1.869 0.015 2 1248 118 119 ASP HB3 H 2.650 0.01 2 1249 118 119 ASP C C 174.547 . 1 1250 118 119 ASP CA C 52.084 . 1 1251 118 119 ASP CB C 41.668 . 1 1252 118 119 ASP N N 127.914 0.194 1 1253 119 120 ALA H H 8.094 0.013 1 1254 119 120 ALA HA H 3.280 0.009 1 1255 119 120 ALA HB H 0.525 0.019 1 1256 119 120 ALA C C 178.725 . 1 1257 119 120 ALA CA C 53.715 . 1 1258 119 120 ALA CB C 17.985 . 1 1259 119 120 ALA N N 127.822 0.158 1 1260 120 121 GLU H H 7.972 0.018 1 1261 120 121 GLU HA H 3.885 . 1 1262 120 121 GLU HB2 H 2.008 0.002 2 1263 120 121 GLU HB3 H 1.922 0.005 2 1264 120 121 GLU HG2 H 2.119 0.012 2 1265 120 121 GLU HG3 H 2.366 . 2 1266 120 121 GLU C C 178.183 . 1 1267 120 121 GLU CA C 58.581 . 1 1268 120 121 GLU CB C 29.422 . 1 1269 120 121 GLU CG C 36.193 . 1 1270 120 121 GLU N N 115.709 0.209 1 1271 121 122 THR H H 6.989 0.017 1 1272 121 122 THR HA H 4.059 0.005 1 1273 121 122 THR HB H 3.417 . 1 1274 121 122 THR HG1 H 4.443 . 1 1275 121 122 THR HG2 H 1.245 . 1 1276 121 122 THR C C 175.003 . 1 1277 121 122 THR CA C 61.121 0.001 1 1278 121 122 THR CB C 69.802 . 1 1279 121 122 THR CG2 C 22.258 . 1 1280 121 122 THR N N 106.466 0.137 1 1281 122 123 ASN H H 7.862 0.015 1 1282 122 123 ASN HA H 3.795 0.008 1 1283 122 123 ASN HB2 H 3.083 0.005 2 1284 122 123 ASN HB3 H 2.484 . 2 1285 122 123 ASN HD21 H 6.786 0.017 1 1286 122 123 ASN C C 173.360 . 1 1287 122 123 ASN CA C 54.295 . 1 1288 122 123 ASN CB C 37.697 . 1 1289 122 123 ASN N N 119.891 0.098 1 1290 122 123 ASN ND2 N 112.335 0.175 1 1291 123 124 GLU H H 6.611 0.019 1 1292 123 124 GLU HA H 4.450 0.002 1 1293 123 124 GLU HB2 H 2.084 0.003 2 1294 123 124 GLU HB3 H 2.042 . 2 1295 123 124 GLU HG2 H 2.546 0.009 2 1296 123 124 GLU HG3 H 2.262 . 2 1297 123 124 GLU C C 174.522 . 1 1298 123 124 GLU CA C 54.185 0.019 1 1299 123 124 GLU CB C 33.642 . 1 1300 123 124 GLU CG C 35.409 . 1 1301 123 124 GLU N N 115.424 0.167 1 1302 124 125 TRP H H 8.663 0.01 1 1303 124 125 TRP HA H 4.467 . 1 1304 124 125 TRP HB2 H 3.197 0.007 2 1305 124 125 TRP HB3 H 2.938 . 2 1306 124 125 TRP HD1 H 7.244 0.006 1 1307 124 125 TRP HE1 H 9.906 0.017 1 1308 124 125 TRP HE3 H 7.290 0.009 1 1309 124 125 TRP HZ3 H 6.548 . 1 1310 124 125 TRP HH2 H 6.783 0.001 1 1311 124 125 TRP C C 177.304 . 1 1312 124 125 TRP CA C 57.583 . 1 1313 124 125 TRP CB C 29.538 . 1 1314 124 125 TRP CD1 C 126.646 . 1 1315 124 125 TRP CD2 C 122.506 . 1 1316 124 125 TRP CE2 C 136.722 . 1 1317 124 125 TRP CE3 C 122.469 . 1 1318 124 125 TRP CH2 C 130.943 . 1 1319 124 125 TRP N N 121.764 0.103 1 1320 124 125 TRP NE1 N 128.792 0.178 1 1321 125 126 LEU H H 8.968 0.007 1 1322 125 126 LEU HA H 4.359 0.002 1 1323 125 126 LEU HB2 H 1.715 . 2 1324 125 126 LEU HB3 H 1.610 . 2 1325 125 126 LEU HG H 1.573 . 1 1326 125 126 LEU HD1 H 1.052 . 2 1327 125 126 LEU HD2 H 1.229 . 2 1328 125 126 LEU C C 172.136 . 1 1329 125 126 LEU CA C 54.397 0.1 1 1330 125 126 LEU CB C 43.062 . 1 1331 125 126 LEU CG C 29.038 . 1 1332 125 126 LEU CD1 C 25.782 . 1 1333 125 126 LEU N N 124.342 0.131 1 1334 126 127 GLU H H 8.630 0.011 1 1335 126 127 GLU HA H 4.139 . 1 1336 126 127 GLU HB2 H 1.958 0.007 2 1337 126 127 GLU HB3 H 1.997 . 2 1338 126 127 GLU HG2 H 2.281 0.006 2 1339 126 127 GLU HG3 H 2.314 . 2 1340 126 127 GLU C C 177.188 . 1 1341 126 127 GLU CA C 58.743 . 1 1342 126 127 GLU CB C 29.829 . 1 1343 126 127 GLU CG C 36.466 . 1 1344 126 127 GLU N N 123.348 0.173 1 1345 127 128 GLY H H 9.315 0.009 1 1346 127 128 GLY HA2 H 4.127 . 2 1347 127 128 GLY HA3 H 3.750 0.017 2 1348 127 128 GLY C C 175.783 . 1 1349 127 128 GLY CA C 45.123 . 1 1350 127 128 GLY N N 113.488 0.106 1 1351 128 129 PHE H H 7.667 0.017 1 1352 128 129 PHE HA H 5.021 0.022 1 1353 128 129 PHE HB2 H 3.330 . 2 1354 128 129 PHE HB3 H 3.156 0.003 2 1355 128 129 PHE HD1 H 7.049 0.012 1 1356 128 129 PHE HD2 H 7.049 0.012 1 1357 128 129 PHE HE1 H 7.207 0.0 1 1358 128 129 PHE HE2 H 7.207 0.0 1 1359 128 129 PHE HZ H 7.286 0.019 1 1360 128 129 PHE C C 175.524 . 1 1361 128 129 PHE CA C 57.445 . 1 1362 128 129 PHE CB C 37.658 . 1 1363 128 129 PHE CD1 C 132.198 . 1 1364 128 129 PHE CD2 C 132.198 . 1 1365 128 129 PHE CE1 C 130.908 . 1 1366 128 129 PHE CE2 C 130.908 . 1 1367 128 129 PHE CZ C 129.886 . 1 1368 128 129 PHE N N 119.874 0.06 1 1369 129 130 GLU H H 8.735 0.012 1 1370 129 130 GLU HA H 3.684 0.009 1 1371 129 130 GLU HB2 H 1.875 . 2 1372 129 130 GLU HB3 H 1.680 . 2 1373 129 130 GLU HG2 H 2.515 0.018 2 1374 129 130 GLU HG3 H 2.363 . 2 1375 129 130 GLU C C 179.822 . 1 1376 129 130 GLU CA C 61.667 . 1 1377 129 130 GLU CB C 28.260 . 1 1378 129 130 GLU CG C 37.450 . 1 1379 129 130 GLU N N 120.961 0.139 1 1380 130 131 LYS H H 8.757 0.016 1 1381 130 131 LYS HA H 3.987 0.005 1 1382 130 131 LYS HB2 H 1.738 0.002 2 1383 130 131 LYS HB3 H 1.791 0.011 2 1384 130 131 LYS HG2 H 1.176 . 2 1385 130 131 LYS HG3 H 1.284 . 2 1386 130 131 LYS HD2 H 1.638 0.001 2 1387 130 131 LYS HD3 H 1.460 . 2 1388 130 131 LYS HE2 H 2.967 . 2 1389 130 131 LYS HE3 H 3.536 . 2 1390 130 131 LYS C C 178.534 . 1 1391 130 131 LYS CA C 59.548 0.055 1 1392 130 131 LYS CB C 31.811 . 1 1393 130 131 LYS CG C 24.973 . 1 1394 130 131 LYS CD C 27.787 . 1 1395 130 131 LYS CE C 42.004 . 1 1396 130 131 LYS N N 121.497 0.036 1 1397 131 132 GLN H H 8.657 0.011 1 1398 131 132 GLN HA H 4.008 0.018 1 1399 131 132 GLN HB2 H 2.115 . 2 1400 131 132 GLN HB3 H 2.018 0.015 2 1401 131 132 GLN HG2 H 2.441 . 2 1402 131 132 GLN HG3 H 2.254 . 2 1403 131 132 GLN HE21 H 7.745 0.013 1 1404 131 132 GLN HE22 H 7.244 0.031 1 1405 131 132 GLN C C 179.188 . 1 1406 131 132 GLN CA C 60.562 0.064 1 1407 131 132 GLN CB C 26.969 . 1 1408 131 132 GLN CG C 36.748 . 1 1409 131 132 GLN N N 114.975 0.235 1 1410 131 132 GLN NE2 N 114.912 0.177 1 1411 132 133 ARG H H 8.257 0.016 1 1412 132 133 ARG HA H 3.788 . 1 1413 132 133 ARG HB2 H 1.871 . 2 1414 132 133 ARG HB3 H 1.982 . 2 1415 132 133 ARG HG2 H 1.276 . 2 1416 132 133 ARG HG3 H 1.388 0.013 2 1417 132 133 ARG HD2 H 2.892 0.005 2 1418 132 133 ARG HD3 H 3.097 . 2 1419 132 133 ARG C C 177.284 . 1 1420 132 133 ARG CA C 58.681 . 1 1421 132 133 ARG CB C 29.551 . 1 1422 132 133 ARG N N 122.452 0.15 1 1423 133 134 ALA H H 7.605 0.017 1 1424 133 134 ALA HA H 4.011 0.004 1 1425 133 134 ALA HB H 1.426 0.007 1 1426 133 134 ALA C C 181.382 . 1 1427 133 134 ALA CA C 54.749 . 1 1428 133 134 ALA CB C 17.803 . 1 1429 133 134 ALA N N 120.036 0.112 1 1430 134 135 GLU H H 8.012 0.015 1 1431 134 135 GLU HA H 4.031 0.007 1 1432 134 135 GLU HB2 H 2.163 . 2 1433 134 135 GLU HB3 H 2.102 . 2 1434 134 135 GLU HG2 H 2.424 0.017 2 1435 134 135 GLU HG3 H 2.375 . 2 1436 134 135 GLU C C 178.652 . 1 1437 134 135 GLU CA C 59.477 . 1 1438 134 135 GLU CB C 29.426 . 1 1439 134 135 GLU CG C 36.563 . 1 1440 134 135 GLU N N 118.990 0.178 1 1441 135 136 TRP H H 8.259 0.018 1 1442 135 136 TRP HA H 4.045 . 1 1443 135 136 TRP HB2 H 3.509 . 2 1444 135 136 TRP HB3 H 3.438 . 2 1445 135 136 TRP HD1 H 7.266 0.0 1 1446 135 136 TRP HE1 H 10.014 0.017 1 1447 135 136 TRP HE3 H 7.197 0.0 1 1448 135 136 TRP HZ2 H 7.578 0.001 1 1449 135 136 TRP C C 178.491 . 1 1450 135 136 TRP CA C 62.901 . 1 1451 135 136 TRP CB C 29.292 . 1 1452 135 136 TRP CD1 C 129.602 . 1 1453 135 136 TRP CD2 C 127.088 . 1 1454 135 136 TRP CZ2 C 119.741 . 1 1455 135 136 TRP CZ3 C 119.771 . 1 1456 135 136 TRP N N 122.454 0.158 1 1457 135 136 TRP NE1 N 130.510 0.142 1 1458 136 137 GLU H H 9.087 0.018 1 1459 136 137 GLU HA H 3.827 . 1 1460 136 137 GLU HB2 H 2.148 . 2 1461 136 137 GLU HB3 H 1.537 . 2 1462 136 137 GLU HG2 H 2.535 . 2 1463 136 137 GLU HG3 H 2.770 . 2 1464 136 137 GLU C C 180.038 . 1 1465 136 137 GLU CA C 59.857 . 1 1466 136 137 GLU CB C 29.286 . 1 1467 136 137 GLU CG C 37.785 . 1 1468 136 137 GLU N N 117.148 0.153 1 1469 137 138 ALA H H 7.958 0.011 1 1470 137 138 ALA HA H 4.234 . 1 1471 137 138 ALA HB H 1.493 . 1 1472 137 138 ALA C C 181.044 . 1 1473 137 138 ALA CA C 54.967 . 1 1474 137 138 ALA CB C 18.189 . 1 1475 137 138 ALA N N 122.023 0.135 1 1476 138 139 ARG H H 7.838 0.017 1 1477 138 139 ARG HA H 3.950 0.005 1 1478 138 139 ARG HB2 H 1.749 . 2 1479 138 139 ARG HB3 H 1.859 . 2 1480 138 139 ARG HG2 H 1.306 . 2 1481 138 139 ARG HG3 H 1.471 0.007 2 1482 138 139 ARG HD2 H 3.234 0.0 2 1483 138 139 ARG HD3 H 3.181 . 2 1484 138 139 ARG C C 178.981 . 1 1485 138 139 ARG CA C 59.750 0.07 1 1486 138 139 ARG CB C 30.082 . 1 1487 138 139 ARG CG C 27.783 0.043 1 1488 138 139 ARG CD C 43.215 0.034 1 1489 138 139 ARG N N 121.128 0.133 1 1490 139 140 TYR H H 8.531 0.017 1 1491 139 140 TYR HA H 3.915 0.013 1 1492 139 140 TYR HB2 H 2.603 . 2 1493 139 140 TYR HB3 H 2.765 0.001 2 1494 139 140 TYR HD1 H 7.935 0.006 1 1495 139 140 TYR HD2 H 7.935 0.006 1 1496 139 140 TYR HH H 9.232 . 1 1497 139 140 TYR C C 177.290 . 1 1498 139 140 TYR CA C 62.255 . 1 1499 139 140 TYR CB C 38.422 . 1 1500 139 140 TYR CD1 C 137.538 . 1 1501 139 140 TYR CD2 C 137.538 . 1 1502 139 140 TYR N N 123.984 0.156 1 1503 140 141 ALA H H 8.246 0.019 1 1504 140 141 ALA HA H 4.216 0.002 1 1505 140 141 ALA HB H 1.499 . 1 1506 140 141 ALA C C 181.169 . 1 1507 140 141 ALA CA C 54.600 . 1 1508 140 141 ALA CB C 18.035 . 1 1509 140 141 ALA N N 120.033 0.143 1 1510 141 142 GLU H H 7.751 0.021 1 1511 141 142 GLU HA H 4.351 . 1 1512 141 142 GLU HB2 H 2.031 . 2 1513 141 142 GLU HB3 H 1.936 0.007 2 1514 141 142 GLU HG2 H 2.392 0.009 2 1515 141 142 GLU HG3 H 2.278 . 2 1516 141 142 GLU C C 177.769 . 1 1517 141 142 GLU CA C 58.053 . 1 1518 141 142 GLU CB C 28.105 . 1 1519 141 142 GLU N N 120.075 0.203 1 1520 142 143 ALA H H 7.919 0.02 1 1521 142 143 ALA HA H 4.324 . 1 1522 142 143 ALA HB H 1.451 . 1 1523 142 143 ALA C C 178.845 . 1 1524 142 143 ALA CA C 55.387 . 1 1525 142 143 ALA CB C 17.833 . 1 1526 142 143 ALA N N 123.903 0.206 1 1527 143 144 GLU H H 8.279 0.012 1 1528 143 144 GLU HA H 3.966 0.005 1 1529 143 144 GLU HB2 H 2.098 . 2 1530 143 144 GLU HB3 H 1.976 . 2 1531 143 144 GLU HG2 H 2.599 . 2 1532 143 144 GLU HG3 H 2.734 . 2 1533 143 144 GLU C C 178.719 0.084 1 1534 143 144 GLU CA C 59.549 . 1 1535 143 144 GLU CB C 29.355 . 1 1536 143 144 GLU CG C 36.570 . 1 1537 143 144 GLU N N 119.034 0.151 1 1538 144 145 ARG H H 8.866 0.014 1 1539 144 145 ARG HB2 H 1.612 . 2 1540 144 145 ARG HB3 H 1.684 . 2 1541 144 145 ARG HG2 H 1.308 . 2 1542 144 145 ARG HG3 H 1.399 0.002 2 1543 144 145 ARG HD2 H 2.959 . 1 1544 144 145 ARG C C 178.112 . 1 1545 144 145 ARG CA C 58.753 . 1 1546 144 145 ARG CB C 30.096 . 1 1547 144 145 ARG N N 114.721 0.109 1 1548 145 146 ARG H H 8.344 0.016 1 1549 145 146 ARG C C 178.633 . 1 1550 145 146 ARG CA C 60.872 . 1 1551 145 146 ARG CB C 28.294 . 1 1552 145 146 ARG N N 119.602 0.147 1 1553 146 147 HIS H H 7.763 0.017 1 1554 146 147 HIS HA H 4.224 . 1 1555 146 147 HIS HB2 H 3.646 . 2 1556 146 147 HIS HB3 H 3.340 . 2 1557 146 147 HIS HD1 H 10.046 . 1 1558 146 147 HIS HD2 H 6.749 0.0 1 1559 146 147 HIS HE1 H 8.122 . 1 1560 146 147 HIS HE2 H 10.398 . 1 1561 146 147 HIS C C 177.588 . 1 1562 146 147 HIS CA C 60.971 . 1 1563 146 147 HIS CB C 31.304 . 1 1564 146 147 HIS CD2 C 118.169 . 1 1565 146 147 HIS CE1 C 137.109 . 1 1566 146 147 HIS N N 121.572 0.223 1 1567 147 148 LYS H H 8.082 0.027 1 1568 147 148 LYS HA H 3.855 0.001 1 1569 147 148 LYS HB2 H 1.745 . 2 1570 147 148 LYS HB3 H 1.706 . 2 1571 147 148 LYS HG2 H 1.489 0.004 2 1572 147 148 LYS HG3 H 1.293 . 2 1573 147 148 LYS HD2 H 1.557 . 2 1574 147 148 LYS HD3 H 1.634 . 2 1575 147 148 LYS HE2 H 2.795 0.002 1 1576 147 148 LYS C C 180.654 . 1 1577 147 148 LYS CA C 59.990 0.089 1 1578 147 148 LYS CB C 31.806 . 1 1579 147 148 LYS CG C 25.755 . 1 1580 147 148 LYS CD C 28.745 0.056 1 1581 147 148 LYS CE C 42.064 0.013 1 1582 147 148 LYS N N 120.277 0.197 1 1583 148 149 MET H H 8.278 0.024 1 1584 148 149 MET HA H 4.032 0.018 1 1585 148 149 MET HB2 H 2.093 0.003 2 1586 148 149 MET HB3 H 2.146 . 2 1587 148 149 MET HG2 H 2.398 0.019 2 1588 148 149 MET HG3 H 2.625 . 2 1589 148 149 MET HE H 1.788 0.003 1 1590 148 149 MET C C 179.419 . 1 1591 148 149 MET CA C 59.246 0.007 1 1592 148 149 MET CB C 33.642 . 1 1593 148 149 MET CG C 29.325 . 1 1594 148 149 MET CE C 17.007 . 1 1595 148 149 MET N N 120.938 0.21 1 1596 149 150 HIS H H 8.582 0.02 1 1597 149 150 HIS HA H 4.259 . 1 1598 149 150 HIS HB2 H 3.138 . 2 1599 149 150 HIS HB3 H 3.277 . 2 1600 149 150 HIS HD1 H 9.787 . 1 1601 149 150 HIS HD2 H 7.040 0.014 1 1602 149 150 HIS HE1 H 7.764 0.014 1 1603 149 150 HIS C C 177.470 . 1 1604 149 150 HIS CA C 57.093 . 1 1605 149 150 HIS CB C 30.967 . 1 1606 149 150 HIS CD2 C 119.275 . 1 1607 149 150 HIS CE1 C 137.337 . 1 1608 149 150 HIS N N 123.854 0.163 1 1609 150 151 THR H H 9.048 0.006 1 1610 150 151 THR HA H 3.910 . 1 1611 150 151 THR HB H 3.620 . 1 1612 150 151 THR HG1 H 4.208 0.003 1 1613 150 151 THR HG2 H 1.086 0.011 1 1614 150 151 THR C C 175.378 . 1 1615 150 151 THR CA C 66.937 . 1 1616 150 151 THR CB C 68.322 . 1 1617 150 151 THR CG2 C 18.364 . 1 1618 150 151 THR N N 119.619 0.042 1 1619 151 152 ALA H H 7.497 0.01 1 1620 151 152 ALA HA H 4.072 0.006 1 1621 151 152 ALA HB H 1.427 . 1 1622 151 152 ALA C C 180.212 . 1 1623 151 152 ALA CA C 54.988 . 1 1624 151 152 ALA CB C 17.406 . 1 1625 151 152 ALA N N 122.631 0.079 1 1626 152 153 GLN H H 7.775 0.016 1 1627 152 153 GLN HA H 4.145 . 1 1628 152 153 GLN HB2 H 2.136 . 2 1629 152 153 GLN HB3 H 2.148 . 2 1630 152 153 GLN HG2 H 2.268 . 2 1631 152 153 GLN HG3 H 2.231 . 2 1632 152 153 GLN HE21 H 6.566 0.021 1 1633 152 153 GLN HE22 H 7.305 0.027 1 1634 152 153 GLN C C 177.402 . 1 1635 152 153 GLN CA C 59.167 . 1 1636 152 153 GLN CB C 30.056 . 1 1637 152 153 GLN CG C 36.107 . 1 1638 152 153 GLN N N 120.690 0.153 1 1639 152 153 GLN NE2 N 111.847 0.23 1 1640 153 154 MET H H 8.195 0.013 1 1641 153 154 MET HA H 4.051 . 1 1642 153 154 MET HB2 H 2.001 . 2 1643 153 154 MET HB3 H 2.054 . 2 1644 153 154 MET HG2 H 2.506 . 2 1645 153 154 MET HG3 H 2.652 . 2 1646 153 154 MET HE H 1.705 . 1 1647 153 154 MET C C 180.096 0.034 1 1648 153 154 MET CA C 56.082 . 1 1649 153 154 MET CB C 28.757 . 1 1650 153 154 MET CG C 33.658 . 1 1651 153 154 MET N N 118.720 0.126 1 1652 154 155 GLU H H 7.877 0.017 1 1653 154 155 GLU HA H 3.948 0.001 1 1654 154 155 GLU HB2 H 2.129 . 2 1655 154 155 GLU HB3 H 1.981 0.019 2 1656 154 155 GLU HG2 H 2.437 . 2 1657 154 155 GLU HG3 H 2.340 . 2 1658 154 155 GLU C C 179.142 . 1 1659 154 155 GLU CA C 58.951 . 1 1660 154 155 GLU CB C 29.269 0.067 1 1661 154 155 GLU CG C 36.629 . 1 1662 154 155 GLU N N 120.023 0.147 1 1663 155 156 LYS H H 7.956 0.012 1 1664 155 156 LYS HA H 4.017 0.009 1 1665 155 156 LYS HB2 H 1.970 . 2 1666 155 156 LYS HB3 H 1.785 . 2 1667 155 156 LYS HG2 H 1.062 0.003 2 1668 155 156 LYS HG3 H 1.030 . 2 1669 155 156 LYS HD2 H 1.460 0.005 2 1670 155 156 LYS HD3 H 1.669 . 2 1671 155 156 LYS HE2 H 2.876 . 2 1672 155 156 LYS HE3 H 2.901 . 2 1673 155 156 LYS C C 179.179 . 1 1674 155 156 LYS CA C 59.192 0.004 1 1675 155 156 LYS CB C 32.530 . 1 1676 155 156 LYS CG C 24.479 0.041 1 1677 155 156 LYS CD C 29.682 . 1 1678 155 156 LYS CE C 42.117 . 1 1679 155 156 LYS N N 121.373 0.176 1 1680 156 157 PHE H H 8.519 0.01 1 1681 156 157 PHE HA H 4.164 0.005 1 1682 156 157 PHE HB2 H 2.688 . 2 1683 156 157 PHE HB3 H 3.099 . 2 1684 156 157 PHE HD1 H 7.328 0.0 1 1685 156 157 PHE HD2 H 7.328 0.0 1 1686 156 157 PHE C C 177.526 . 1 1687 156 157 PHE CA C 60.346 . 1 1688 156 157 PHE CB C 38.020 . 1 1689 156 157 PHE CD1 C 129.997 . 1 1690 156 157 PHE CD2 C 129.997 . 1 1691 156 157 PHE N N 119.856 0.065 1 1692 157 158 ALA H H 7.972 0.015 1 1693 157 158 ALA HA H 4.106 0.002 1 1694 157 158 ALA HB H 1.412 . 1 1695 157 158 ALA C C 179.581 . 1 1696 157 158 ALA CA C 54.555 . 1 1697 157 158 ALA CB C 18.143 . 1 1698 157 158 ALA N N 122.411 0.207 1 1699 158 159 ALA H H 7.719 0.018 1 1700 158 159 ALA HA H 4.245 . 1 1701 158 159 ALA HB H 1.380 0.006 1 1702 158 159 ALA C C 179.599 . 1 1703 158 159 ALA CA C 53.706 . 1 1704 158 159 ALA CB C 18.529 . 1 1705 158 159 ALA N N 120.314 0.139 1 stop_ save_