data_30450 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; CS-rosetta determined structures of the N-terminal domain of AlgF from P. aeruginosa ; _BMRB_accession_number 30450 _BMRB_flat_file_name bmr30450.str _Entry_type original _Submission_date 2018-04-09 _Accession_date 2018-04-09 _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 Tammam S. . . 2 Howell P. L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1098 "13C chemical shifts" 815 "15N chemical shifts" 190 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-04-09 original BMRB . stop_ _Original_release_date 2018-05-04 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Pseudomonas aeruginosa AlgF is an adaptor protein required for acetylation of the alginate exopolysaccharide ; _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 Low K. E. . 2 Tammam S. D. . 3 Whitfield G. B. . 4 Riley L. M. . 5 Weadge J. T. . 6 Caldwell S. J. . 7 Baker P. . . 8 Chong P. A. . 9 Walvoort M. T.C. . 10 Kitova E. N. . 11 Grant T. D. . 12 Snell E. H. . 13 Klassen J. S. . 14 Codee J. D.C. . 15 Howell P. L. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _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 'Alginate biosynthesis protein AlgF' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'P. aeruginosa AlgF' $AlgF stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_AlgF _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'P. aeruginosa AlgF' _Molecular_mass 20917.729 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 196 _Mol_residue_sequence ; MEGALYGPQAPKGSAFVRAY NAGNSELDVSVGSTSLNDVA PLGSSDFKFLPPGSYTAQVG QQSLPVKLDPDSYYTLVSQP GGKPQLVAEPPFKNKQKALV RVQNLSGSKLTLKTADGKTD VVKDVGPQSHGDREINPVKV NLALFDGSKKVSDLKPVTLA RGEVVCLYVTGSGGKLAPVW VKRPVKADLEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 30 MET 2 31 GLU 3 32 GLY 4 33 ALA 5 34 LEU 6 35 TYR 7 36 GLY 8 37 PRO 9 38 GLN 10 39 ALA 11 40 PRO 12 41 LYS 13 42 GLY 14 43 SER 15 44 ALA 16 45 PHE 17 46 VAL 18 47 ARG 19 48 ALA 20 49 TYR 21 50 ASN 22 51 ALA 23 52 GLY 24 53 ASN 25 54 SER 26 55 GLU 27 56 LEU 28 57 ASP 29 58 VAL 30 59 SER 31 60 VAL 32 61 GLY 33 62 SER 34 63 THR 35 64 SER 36 65 LEU 37 66 ASN 38 67 ASP 39 68 VAL 40 69 ALA 41 70 PRO 42 71 LEU 43 72 GLY 44 73 SER 45 74 SER 46 75 ASP 47 76 PHE 48 77 LYS 49 78 PHE 50 79 LEU 51 80 PRO 52 81 PRO 53 82 GLY 54 83 SER 55 84 TYR 56 85 THR 57 86 ALA 58 87 GLN 59 88 VAL 60 89 GLY 61 90 GLN 62 91 GLN 63 92 SER 64 93 LEU 65 94 PRO 66 95 VAL 67 96 LYS 68 97 LEU 69 98 ASP 70 99 PRO 71 100 ASP 72 101 SER 73 102 TYR 74 103 TYR 75 104 THR 76 105 LEU 77 106 VAL 78 107 SER 79 108 GLN 80 109 PRO 81 110 GLY 82 111 GLY 83 112 LYS 84 113 PRO 85 114 GLN 86 115 LEU 87 116 VAL 88 117 ALA 89 118 GLU 90 119 PRO 91 120 PRO 92 121 PHE 93 122 LYS 94 123 ASN 95 124 LYS 96 125 GLN 97 126 LYS 98 127 ALA 99 128 LEU 100 129 VAL 101 130 ARG 102 131 VAL 103 132 GLN 104 133 ASN 105 134 LEU 106 135 SER 107 136 GLY 108 137 SER 109 138 LYS 110 139 LEU 111 140 THR 112 141 LEU 113 142 LYS 114 143 THR 115 144 ALA 116 145 ASP 117 146 GLY 118 147 LYS 119 148 THR 120 149 ASP 121 150 VAL 122 151 VAL 123 152 LYS 124 153 ASP 125 154 VAL 126 155 GLY 127 156 PRO 128 157 GLN 129 158 SER 130 159 HIS 131 160 GLY 132 161 ASP 133 162 ARG 134 163 GLU 135 164 ILE 136 165 ASN 137 166 PRO 138 167 VAL 139 168 LYS 140 169 VAL 141 170 ASN 142 171 LEU 143 172 ALA 144 173 LEU 145 174 PHE 146 175 ASP 147 176 GLY 148 177 SER 149 178 LYS 150 179 LYS 151 180 VAL 152 181 SER 153 182 ASP 154 183 LEU 155 184 LYS 156 185 PRO 157 186 VAL 158 187 THR 159 188 LEU 160 189 ALA 161 190 ARG 162 191 GLY 163 192 GLU 164 193 VAL 165 194 VAL 166 195 CYS 167 196 LEU 168 197 TYR 169 198 VAL 170 199 THR 171 200 GLY 172 201 SER 173 202 GLY 174 203 GLY 175 204 LYS 176 205 LEU 177 206 ALA 178 207 PRO 179 208 VAL 180 209 TRP 181 210 VAL 182 211 LYS 183 212 ARG 184 213 PRO 185 214 VAL 186 215 LYS 187 216 ALA 188 217 ASP 189 218 LEU 190 219 GLU 191 220 HIS 192 221 HIS 193 222 HIS 194 223 HIS 195 224 HIS 196 225 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 _Gene_mnemonic $AlgF 'Pseudomonas aeruginosa' 208964 Bacteria . Pseudomonas aeruginosa 'strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1' 'algF, PA3550' 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 $AlgF 'recombinant technology' . . . 'BL21(DE3) codonPlus' Plasmid pET24b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '50 mM potassium phosphate, 2 % v/v glycerol, 10 mM DTT, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $AlgF 1 mM '[U-1H; U-13C; U-15N]' 'potassium phosphate' 50 mM 'natural abundance' glycerol 2 '% v/v' 'natural abundance' DTT 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CS-Rosetta _Version . loop_ _Vendor _Address _Electronic_address 'Shen, Vernon, Baker and Bax' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_4 _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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _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_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _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' 0.05 . M pH 6.8 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HNCO' '3D HNCA' '3D CBCA(CO)NH' '3D 1H-15N NOESY' '3D C(CO)NH' '3D HCCH-TOCSY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'P. aeruginosa AlgF' _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 30 1 MET HA H 4.827 0.000 1 2 30 1 MET C C 172.770 0.000 1 3 30 1 MET CA C 53.231 0.000 1 4 31 2 GLU H H 8.209 0.000 1 5 31 2 GLU HA H 4.318 0.005 1 6 31 2 GLU HB2 H 2.037 0.005 2 7 31 2 GLU HB3 H 1.939 0.007 2 8 31 2 GLU HG2 H 2.249 0.002 2 9 31 2 GLU HG3 H 2.249 0.002 2 10 31 2 GLU C C 176.656 0.000 1 11 31 2 GLU CA C 56.546 0.017 1 12 31 2 GLU CB C 30.381 0.021 1 13 31 2 GLU CG C 36.276 0.054 1 14 31 2 GLU N N 120.927 0.000 1 15 32 3 GLY H H 8.541 0.004 1 16 32 3 GLY HA2 H 3.945 0.005 2 17 32 3 GLY HA3 H 3.909 0.000 2 18 32 3 GLY C C 173.757 0.000 1 19 32 3 GLY CA C 45.308 0.000 1 20 32 3 GLY N N 110.568 0.012 1 21 33 4 ALA H H 8.140 0.006 1 22 33 4 ALA HA H 4.259 0.013 1 23 33 4 ALA HB H 1.308 0.009 1 24 33 4 ALA C C 177.599 0.000 1 25 33 4 ALA CA C 52.481 0.006 1 26 33 4 ALA CB C 19.474 0.000 1 27 33 4 ALA N N 123.441 0.012 1 28 34 5 LEU H H 8.138 0.003 1 29 34 5 LEU HA H 4.218 0.006 1 30 34 5 LEU HB2 H 1.448 0.004 2 31 34 5 LEU HB3 H 1.334 0.002 2 32 34 5 LEU HG H 1.447 0.014 1 33 34 5 LEU HD1 H 0.826 0.006 2 34 34 5 LEU HD2 H 0.777 0.004 2 35 34 5 LEU C C 176.888 0.000 1 36 34 5 LEU CA C 55.275 0.005 1 37 34 5 LEU CB C 42.354 0.006 1 38 34 5 LEU CG C 27.334 0.000 1 39 34 5 LEU CD1 C 24.967 0.043 1 40 34 5 LEU CD2 C 23.705 0.058 1 41 34 5 LEU N N 120.893 0.005 1 42 35 6 TYR H H 8.038 0.002 1 43 35 6 TYR HA H 4.629 0.003 1 44 35 6 TYR HB2 H 3.107 0.004 2 45 35 6 TYR HB3 H 2.889 0.006 2 46 35 6 TYR HD1 H 7.083 0.001 3 47 35 6 TYR HD2 H 7.083 0.001 3 48 35 6 TYR HE1 H 6.776 0.000 3 49 35 6 TYR HE2 H 6.776 0.000 3 50 35 6 TYR C C 175.888 0.000 1 51 35 6 TYR CA C 57.319 0.004 1 52 35 6 TYR CB C 39.054 0.010 1 53 35 6 TYR CD1 C 133.280 0.004 3 54 35 6 TYR CE1 C 118.150 0.000 3 55 35 6 TYR N N 119.454 0.038 1 56 36 7 GLY H H 8.097 0.002 1 57 36 7 GLY HA2 H 4.067 0.007 2 58 36 7 GLY HA3 H 4.067 0.007 2 59 36 7 GLY C C 175.884 0.000 1 60 36 7 GLY CA C 44.622 0.012 1 61 36 7 GLY N N 110.044 0.008 1 62 37 8 PRO HA H 4.455 0.008 1 63 37 8 PRO HB2 H 2.356 0.005 2 64 37 8 PRO HB3 H 2.002 0.012 2 65 37 8 PRO HG2 H 2.078 0.005 2 66 37 8 PRO HG3 H 2.078 0.005 2 67 37 8 PRO HD2 H 3.644 0.011 2 68 37 8 PRO HD3 H 3.607 0.010 2 69 37 8 PRO C C 176.828 0.000 1 70 37 8 PRO CA C 63.122 0.057 1 71 37 8 PRO CB C 32.316 0.047 1 72 37 8 PRO CG C 27.442 0.011 1 73 37 8 PRO CD C 49.881 0.028 1 74 38 9 GLN H H 8.432 0.002 1 75 38 9 GLN HA H 4.263 0.002 1 76 38 9 GLN HB2 H 1.993 0.007 2 77 38 9 GLN HB3 H 1.881 0.002 2 78 38 9 GLN HG2 H 2.328 0.007 2 79 38 9 GLN HG3 H 2.328 0.007 2 80 38 9 GLN HE21 H 7.794 0.004 2 81 38 9 GLN HE22 H 7.014 0.003 2 82 38 9 GLN C C 175.138 0.000 1 83 38 9 GLN CA C 54.915 0.047 1 84 38 9 GLN CB C 29.766 0.013 1 85 38 9 GLN CG C 33.849 0.004 1 86 38 9 GLN CD C 179.860 0.000 1 87 38 9 GLN N N 120.514 0.012 1 88 38 9 GLN NE2 N 110.550 0.042 1 89 39 10 ALA H H 8.201 0.003 1 90 39 10 ALA HA H 3.174 0.013 1 91 39 10 ALA HB H 0.835 0.008 1 92 39 10 ALA C C 175.138 0.000 1 93 39 10 ALA CA C 49.912 0.018 1 94 39 10 ALA CB C 19.140 0.039 1 95 39 10 ALA N N 127.209 0.040 1 96 40 11 PRO HA H 4.259 0.007 1 97 40 11 PRO HB2 H 1.563 0.012 2 98 40 11 PRO HB3 H 2.227 0.007 2 99 40 11 PRO HG2 H 1.872 0.006 2 100 40 11 PRO HG3 H 1.793 0.009 2 101 40 11 PRO HD2 H 2.823 0.008 2 102 40 11 PRO HD3 H 3.286 0.008 2 103 40 11 PRO CA C 62.197 0.034 1 104 40 11 PRO CB C 32.121 0.050 1 105 40 11 PRO CG C 27.557 0.025 1 106 40 11 PRO CD C 51.006 0.041 1 107 41 12 LYS HA H 4.075 0.004 1 108 41 12 LYS HB2 H 1.773 0.012 2 109 41 12 LYS HB3 H 1.774 0.012 2 110 41 12 LYS HG2 H 1.523 0.008 2 111 41 12 LYS HG3 H 1.430 0.008 2 112 41 12 LYS HD2 H 1.676 0.004 2 113 41 12 LYS HD3 H 1.676 0.004 2 114 41 12 LYS HE2 H 2.975 0.006 2 115 41 12 LYS HE3 H 2.901 0.013 2 116 41 12 LYS C C 177.322 0.000 1 117 41 12 LYS CA C 58.005 0.043 1 118 41 12 LYS CB C 32.077 0.000 1 119 41 12 LYS CG C 24.831 0.050 1 120 41 12 LYS CD C 28.967 0.017 1 121 41 12 LYS CE C 41.839 0.074 1 122 42 13 GLY H H 8.990 0.006 1 123 42 13 GLY HA2 H 4.159 0.007 2 124 42 13 GLY HA3 H 3.699 0.012 2 125 42 13 GLY C C 173.944 0.000 1 126 42 13 GLY CA C 45.224 0.031 1 127 42 13 GLY N N 114.990 0.029 1 128 43 14 SER H H 7.349 0.004 1 129 43 14 SER HA H 4.089 0.009 1 130 43 14 SER HB2 H 3.506 0.008 2 131 43 14 SER HB3 H 3.177 0.008 2 132 43 14 SER C C 173.668 0.000 1 133 43 14 SER CA C 61.331 0.034 1 134 43 14 SER CB C 64.406 0.024 1 135 43 14 SER N N 113.585 0.025 1 136 44 15 ALA H H 8.669 0.002 1 137 44 15 ALA HA H 4.987 0.013 1 138 44 15 ALA HB H 1.342 0.008 1 139 44 15 ALA C C 175.564 0.000 1 140 44 15 ALA CA C 50.573 0.015 1 141 44 15 ALA CB C 21.841 0.030 1 142 44 15 ALA N N 124.859 0.017 1 143 45 16 PHE H H 8.584 0.006 1 144 45 16 PHE HA H 5.376 0.009 1 145 45 16 PHE HB2 H 2.307 0.010 2 146 45 16 PHE HB3 H 1.943 0.013 2 147 45 16 PHE HD1 H 6.304 0.008 3 148 45 16 PHE HD2 H 6.304 0.008 3 149 45 16 PHE HE1 H 6.987 0.008 3 150 45 16 PHE HE2 H 6.987 0.008 3 151 45 16 PHE HZ H 6.911 0.001 1 152 45 16 PHE C C 175.856 0.000 1 153 45 16 PHE CA C 56.556 0.019 1 154 45 16 PHE CB C 43.704 0.028 1 155 45 16 PHE CD2 C 131.539 0.065 3 156 45 16 PHE CE2 C 130.970 0.035 3 157 45 16 PHE CZ C 129.040 0.000 1 158 45 16 PHE N N 115.268 0.027 1 159 46 17 VAL H H 9.168 0.005 1 160 46 17 VAL HA H 5.747 0.009 1 161 46 17 VAL HB H 1.752 0.007 1 162 46 17 VAL HG1 H 0.794 0.009 2 163 46 17 VAL HG2 H 0.746 0.008 2 164 46 17 VAL C C 173.156 0.000 1 165 46 17 VAL CA C 59.181 0.065 1 166 46 17 VAL CB C 36.149 0.009 1 167 46 17 VAL CG1 C 21.423 0.042 1 168 46 17 VAL CG2 C 21.629 0.033 1 169 46 17 VAL N N 118.269 0.037 1 170 47 18 ARG H H 8.640 0.005 1 171 47 18 ARG HA H 5.647 0.007 1 172 47 18 ARG HB2 H 1.529 0.007 2 173 47 18 ARG HB3 H 1.782 0.012 2 174 47 18 ARG HG2 H 1.204 0.011 2 175 47 18 ARG HG3 H 1.384 0.007 2 176 47 18 ARG HD2 H 2.674 0.013 2 177 47 18 ARG HE H 7.730 0.007 1 178 47 18 ARG C C 174.957 0.000 1 179 47 18 ARG CA C 53.360 0.032 1 180 47 18 ARG CB C 33.919 0.080 1 181 47 18 ARG CD C 44.878 0.000 1 182 47 18 ARG N N 122.361 0.043 1 183 47 18 ARG NE N 86.047 0.033 1 184 48 19 ALA H H 8.290 0.009 1 185 48 19 ALA HA H 5.490 0.008 1 186 48 19 ALA HB H 1.149 0.007 1 187 48 19 ALA C C 175.271 0.000 1 188 48 19 ALA CA C 49.642 0.006 1 189 48 19 ALA CB C 23.092 0.055 1 190 48 19 ALA N N 127.463 0.057 1 191 49 20 TYR H H 8.777 0.006 1 192 49 20 TYR HA H 4.947 0.010 1 193 49 20 TYR HB2 H 2.327 0.009 2 194 49 20 TYR HB3 H 1.934 0.013 2 195 49 20 TYR HD1 H 6.466 0.011 3 196 49 20 TYR HD2 H 6.466 0.011 3 197 49 20 TYR HE1 H 6.220 0.013 3 198 49 20 TYR HE2 H 6.220 0.013 3 199 49 20 TYR C C 171.969 0.000 1 200 49 20 TYR CA C 55.954 0.046 1 201 49 20 TYR CB C 40.523 0.033 1 202 49 20 TYR CD2 C 132.534 0.046 3 203 49 20 TYR CE2 C 116.978 0.003 3 204 49 20 TYR N N 119.893 0.020 1 205 50 21 ASN H H 8.121 0.003 1 206 50 21 ASN HA H 4.367 0.010 1 207 50 21 ASN HB2 H 1.835 0.007 2 208 50 21 ASN HB3 H 3.396 0.009 2 209 50 21 ASN HD21 H 7.684 0.008 2 210 50 21 ASN HD22 H 6.335 0.003 2 211 50 21 ASN C C 172.008 0.000 1 212 50 21 ASN CA C 49.756 0.014 1 213 50 21 ASN CB C 39.552 0.016 1 214 50 21 ASN CG C 176.533 0.000 1 215 50 21 ASN N N 125.670 0.044 1 216 50 21 ASN ND2 N 113.217 0.054 1 217 51 22 ALA H H 7.702 0.007 1 218 51 22 ALA HA H 4.252 0.011 1 219 51 22 ALA HB H 1.284 0.007 1 220 51 22 ALA C C 177.287 0.000 1 221 51 22 ALA CA C 51.416 0.043 1 222 51 22 ALA CB C 17.857 0.065 1 223 51 22 ALA N N 124.710 0.036 1 224 52 23 GLY H H 7.688 0.006 1 225 52 23 GLY HA2 H 4.093 0.013 2 226 52 23 GLY HA3 H 3.705 0.008 2 227 52 23 GLY C C 171.542 0.000 1 228 52 23 GLY CA C 44.226 0.006 1 229 52 23 GLY N N 105.597 0.033 1 230 53 24 ASN H H 7.878 0.004 1 231 53 24 ASN HA H 4.778 0.010 1 232 53 24 ASN HB2 H 2.791 0.009 2 233 53 24 ASN HB3 H 2.737 0.006 2 234 53 24 ASN HD21 H 6.825 0.004 1 235 53 24 ASN HD22 H 7.536 0.004 1 236 53 24 ASN C C 175.070 0.000 1 237 53 24 ASN CA C 52.833 0.052 1 238 53 24 ASN CB C 39.652 0.015 1 239 53 24 ASN CG C 177.542 0.000 1 240 53 24 ASN N N 110.820 0.018 1 241 53 24 ASN ND2 N 112.231 0.055 1 242 54 25 SER H H 7.701 0.007 1 243 54 25 SER HA H 4.621 0.006 1 244 54 25 SER HB2 H 3.758 0.006 2 245 54 25 SER HB3 H 3.753 0.009 2 246 54 25 SER C C 172.892 0.000 1 247 54 25 SER CA C 56.466 0.016 1 248 54 25 SER CB C 65.198 0.017 1 249 54 25 SER N N 113.815 0.051 1 250 55 26 GLU H H 9.084 0.009 1 251 55 26 GLU HA H 4.014 0.006 1 252 55 26 GLU HB2 H 1.878 0.010 2 253 55 26 GLU HB3 H 1.781 0.007 2 254 55 26 GLU HG2 H 2.308 0.007 2 255 55 26 GLU HG3 H 2.085 0.009 2 256 55 26 GLU C C 174.870 0.000 1 257 55 26 GLU CA C 58.320 0.004 1 258 55 26 GLU CB C 30.098 0.016 1 259 55 26 GLU CG C 37.085 0.023 1 260 55 26 GLU N N 123.690 0.041 1 261 56 27 LEU H H 8.078 0.007 1 262 56 27 LEU HA H 4.595 0.004 1 263 56 27 LEU HB2 H 1.213 0.012 2 264 56 27 LEU HB3 H 1.557 0.008 2 265 56 27 LEU HG H 0.525 0.009 1 266 56 27 LEU HD1 H 0.525 0.009 2 267 56 27 LEU HD2 H 0.739 0.011 2 268 56 27 LEU C C 173.291 0.000 1 269 56 27 LEU CA C 53.855 0.061 1 270 56 27 LEU CB C 47.006 0.052 1 271 56 27 LEU CG C 27.054 0.054 1 272 56 27 LEU CD1 C 27.057 0.053 1 273 56 27 LEU CD2 C 23.358 0.050 1 274 56 27 LEU N N 123.855 0.023 1 275 57 28 ASP H H 8.096 0.003 1 276 57 28 ASP HA H 5.407 0.012 1 277 57 28 ASP HB2 H 2.622 0.005 2 278 57 28 ASP HB3 H 2.435 0.007 2 279 57 28 ASP C C 175.374 0.000 1 280 57 28 ASP CA C 53.001 0.045 1 281 57 28 ASP CB C 42.732 0.028 1 282 57 28 ASP N N 123.122 0.042 1 283 58 29 VAL H H 8.549 0.010 1 284 58 29 VAL HA H 5.123 0.008 1 285 58 29 VAL HB H 2.035 0.005 1 286 58 29 VAL HG1 H 0.858 0.010 2 287 58 29 VAL HG2 H 0.763 0.011 2 288 58 29 VAL C C 174.508 0.000 1 289 58 29 VAL CA C 59.630 0.006 1 290 58 29 VAL CB C 35.204 0.016 1 291 58 29 VAL CG1 C 22.810 0.045 1 292 58 29 VAL CG2 C 22.154 0.045 1 293 58 29 VAL N N 122.678 0.029 1 294 59 30 SER H H 9.031 0.006 1 295 59 30 SER HA H 5.119 0.008 1 296 59 30 SER HB2 H 3.696 0.009 2 297 59 30 SER HB3 H 3.760 0.011 2 298 59 30 SER C C 173.100 0.000 1 299 59 30 SER CA C 57.009 0.029 1 300 59 30 SER CB C 65.747 0.052 1 301 59 30 SER N N 120.510 0.038 1 302 60 31 VAL H H 8.571 0.004 1 303 60 31 VAL HA H 3.918 0.007 1 304 60 31 VAL HB H 1.627 0.011 1 305 60 31 VAL HG1 H 0.177 0.009 2 306 60 31 VAL HG2 H 0.437 0.009 2 307 60 31 VAL C C 174.674 0.000 1 308 60 31 VAL CA C 61.101 0.071 1 309 60 31 VAL CB C 32.272 0.065 1 310 60 31 VAL CG1 C 21.084 0.022 1 311 60 31 VAL CG2 C 20.764 0.036 1 312 60 31 VAL N N 122.436 0.051 1 313 61 32 GLY H H 8.655 0.003 1 314 61 32 GLY HA2 H 3.770 0.014 2 315 61 32 GLY HA3 H 3.907 0.007 2 316 61 32 GLY C C 174.674 0.000 1 317 61 32 GLY CA C 47.339 0.000 1 318 61 32 GLY N N 115.605 0.018 1 319 62 33 SER HA H 4.410 0.005 1 320 62 33 SER HB2 H 4.057 0.005 2 321 62 33 SER HB3 H 3.876 0.004 2 322 62 33 SER C C 173.984 0.000 1 323 62 33 SER CA C 58.418 0.000 1 324 62 33 SER CB C 63.084 0.056 1 325 63 34 THR H H 8.079 0.006 1 326 63 34 THR HA H 4.255 0.007 1 327 63 34 THR HB H 3.997 0.007 1 328 63 34 THR HG1 H 0.861 0.012 1 329 63 34 THR HG2 H 0.868 0.006 1 330 63 34 THR C C 172.781 0.000 1 331 63 34 THR CA C 63.102 0.056 1 332 63 34 THR CB C 69.232 0.059 1 333 63 34 THR CG2 C 21.096 0.035 1 334 63 34 THR N N 121.504 0.051 1 335 64 35 SER H H 8.597 0.011 1 336 64 35 SER HA H 4.889 0.010 1 337 64 35 SER HB2 H 3.691 0.008 2 338 64 35 SER HB3 H 3.757 0.010 2 339 64 35 SER C C 172.566 0.000 1 340 64 35 SER CA C 57.247 0.094 1 341 64 35 SER CB C 65.193 0.022 1 342 64 35 SER N N 122.042 0.040 1 343 65 36 LEU H H 9.014 0.008 1 344 65 36 LEU HA H 4.575 0.008 1 345 65 36 LEU HB2 H 1.686 0.011 2 346 65 36 LEU HB3 H 1.242 0.011 2 347 65 36 LEU HG H 1.387 0.010 1 348 65 36 LEU HD1 H 0.695 0.008 1 349 65 36 LEU HD1 H 0.695 0.008 2 350 65 36 LEU HD2 H 0.865 0.007 2 351 65 36 LEU C C 174.079 0.000 1 352 65 36 LEU CA C 53.556 0.040 1 353 65 36 LEU CB C 41.387 0.033 1 354 65 36 LEU CG C 26.969 0.048 1 355 65 36 LEU CD1 C 25.515 0.054 1 356 65 36 LEU CD2 C 24.527 0.073 1 357 65 36 LEU N N 127.305 0.013 1 358 66 37 ASN H H 8.147 0.004 1 359 66 37 ASN HA H 5.195 0.011 1 360 66 37 ASN HB2 H 2.704 0.008 2 361 66 37 ASN HB3 H 2.512 0.007 2 362 66 37 ASN HD21 H 7.384 0.003 1 363 66 37 ASN HD22 H 6.584 0.002 1 364 66 37 ASN C C 175.350 0.000 1 365 66 37 ASN CA C 52.502 0.048 1 366 66 37 ASN CB C 40.760 0.027 1 367 66 37 ASN CG C 176.251 0.000 1 368 66 37 ASN N N 118.176 0.021 1 369 66 37 ASN ND2 N 109.711 0.039 1 370 67 38 ASP H H 9.090 0.005 1 371 67 38 ASP HA H 4.016 0.006 1 372 67 38 ASP HB2 H 2.712 0.009 2 373 67 38 ASP HB3 H 2.565 0.008 2 374 67 38 ASP C C 175.397 0.000 1 375 67 38 ASP CA C 54.726 0.023 1 376 67 38 ASP CB C 39.641 0.047 1 377 67 38 ASP N N 118.525 0.032 1 378 68 39 VAL H H 9.189 0.006 1 379 68 39 VAL HA H 3.710 0.006 1 380 68 39 VAL HB H 1.922 0.010 1 381 68 39 VAL HG1 H 0.766 0.009 2 382 68 39 VAL HG2 H 0.743 0.012 2 383 68 39 VAL C C 176.929 0.000 1 384 68 39 VAL CA C 63.403 0.026 1 385 68 39 VAL CB C 31.215 0.063 1 386 68 39 VAL CG1 C 22.594 0.061 1 387 68 39 VAL CG2 C 21.314 0.041 1 388 68 39 VAL N N 121.570 0.025 1 389 69 40 ALA H H 8.541 0.008 1 390 69 40 ALA HA H 4.254 0.007 1 391 69 40 ALA HB H 1.351 0.004 1 392 69 40 ALA C C 176.929 0.000 1 393 69 40 ALA CA C 51.476 0.063 1 394 69 40 ALA CB C 18.099 0.066 1 395 69 40 ALA N N 133.181 0.021 1 396 70 41 PRO HA H 3.981 0.010 1 397 70 41 PRO HB2 H 1.781 0.009 2 398 70 41 PRO HB3 H 2.091 0.012 2 399 70 41 PRO HG2 H 1.287 0.009 2 400 70 41 PRO HG3 H 1.978 0.009 2 401 70 41 PRO HD2 H 3.330 0.010 2 402 70 41 PRO HD3 H 3.534 0.009 2 403 70 41 PRO C C 177.576 0.000 1 404 70 41 PRO CA C 64.067 0.012 1 405 70 41 PRO CB C 32.092 0.036 1 406 70 41 PRO CG C 27.806 0.056 1 407 70 41 PRO CD C 50.659 0.011 1 408 71 42 LEU H H 8.274 0.006 1 409 71 42 LEU HA H 4.334 0.010 1 410 71 42 LEU HB2 H 2.104 0.012 2 411 71 42 LEU HB3 H 1.733 0.011 2 412 71 42 LEU HG H 1.470 0.007 1 413 71 42 LEU HD1 H 0.884 0.007 2 414 71 42 LEU HD2 H 0.800 0.009 2 415 71 42 LEU C C 176.299 0.000 1 416 71 42 LEU CA C 56.840 0.019 1 417 71 42 LEU CB C 38.629 0.020 1 418 71 42 LEU CG C 27.360 0.043 1 419 71 42 LEU CD1 C 25.613 0.030 1 420 71 42 LEU CD2 C 22.776 0.073 1 421 71 42 LEU N N 122.803 0.037 1 422 72 43 GLY H H 8.514 0.008 1 423 72 43 GLY HA2 H 4.606 0.010 2 424 72 43 GLY HA3 H 3.608 0.011 2 425 72 43 GLY C C 171.268 0.000 1 426 72 43 GLY CA C 43.886 0.010 1 427 72 43 GLY N N 109.430 0.035 1 428 73 44 SER H H 8.310 0.002 1 429 73 44 SER HA H 5.644 0.008 1 430 73 44 SER HB2 H 3.762 0.013 2 431 73 44 SER HB3 H 3.877 0.010 2 432 73 44 SER C C 174.787 0.000 1 433 73 44 SER CA C 56.417 0.045 1 434 73 44 SER CB C 67.665 0.057 1 435 73 44 SER N N 108.857 0.013 1 436 74 45 SER H H 8.638 0.006 1 437 74 45 SER HA H 4.926 0.010 1 438 74 45 SER HB2 H 3.708 0.013 2 439 74 45 SER HB3 H 3.704 0.010 2 440 74 45 SER C C 174.335 0.000 1 441 74 45 SER CA C 56.816 0.038 1 442 74 45 SER CB C 67.602 0.035 1 443 74 45 SER N N 116.653 0.017 1 444 75 46 ASP H H 8.771 0.005 1 445 75 46 ASP HA H 4.811 0.008 1 446 75 46 ASP HB2 H 2.705 0.008 2 447 75 46 ASP HB3 H 2.606 0.009 2 448 75 46 ASP C C 178.136 0.000 1 449 75 46 ASP CA C 52.841 0.053 1 450 75 46 ASP CB C 41.446 0.054 1 451 75 46 ASP N N 117.290 0.059 1 452 76 47 PHE H H 9.338 0.005 1 453 76 47 PHE HA H 4.741 0.008 1 454 76 47 PHE HB2 H 3.106 0.012 2 455 76 47 PHE HB3 H 2.980 0.009 2 456 76 47 PHE HD1 H 7.195 0.013 3 457 76 47 PHE HD2 H 7.195 0.013 3 458 76 47 PHE HE1 H 7.441 0.005 3 459 76 47 PHE HE2 H 7.441 0.005 3 460 76 47 PHE HZ H 6.957 0.003 1 461 76 47 PHE C C 176.883 0.000 1 462 76 47 PHE CA C 58.942 0.000 1 463 76 47 PHE CB C 41.414 0.054 1 464 76 47 PHE CD1 C 132.249 0.000 3 465 76 47 PHE CE1 C 132.088 0.025 3 466 76 47 PHE CZ C 129.031 0.000 1 467 76 47 PHE N N 119.401 0.018 1 468 77 48 LYS H H 9.194 0.010 1 469 77 48 LYS HA H 4.742 0.012 1 470 77 48 LYS HB2 H 1.743 0.010 2 471 77 48 LYS HB3 H 1.405 0.007 2 472 77 48 LYS HG2 H 1.405 0.009 2 473 77 48 LYS HG3 H 1.405 0.009 2 474 77 48 LYS HD2 H 1.647 0.010 2 475 77 48 LYS HD3 H 1.544 0.011 2 476 77 48 LYS HE2 H 3.029 0.009 2 477 77 48 LYS HE3 H 2.979 0.006 2 478 77 48 LYS C C 175.125 0.000 1 479 77 48 LYS CA C 55.376 0.010 1 480 77 48 LYS CB C 35.799 0.013 1 481 77 48 LYS CG C 26.384 0.060 1 482 77 48 LYS CD C 29.527 0.029 1 483 77 48 LYS CE C 42.135 0.063 1 484 77 48 LYS N N 122.964 0.016 1 485 78 49 PHE H H 7.163 0.007 1 486 78 49 PHE HA H 5.506 0.011 1 487 78 49 PHE HB2 H 2.516 0.007 2 488 78 49 PHE HB3 H 2.453 0.011 2 489 78 49 PHE HD1 H 7.056 0.009 3 490 78 49 PHE HD2 H 7.056 0.009 3 491 78 49 PHE HE1 H 7.333 0.015 3 492 78 49 PHE HE2 H 7.333 0.015 3 493 78 49 PHE HZ H 7.237 0.014 1 494 78 49 PHE C C 174.393 0.000 1 495 78 49 PHE CA C 54.030 0.025 1 496 78 49 PHE CB C 41.230 0.023 1 497 78 49 PHE CD1 C 132.739 0.070 3 498 78 49 PHE CE1 C 131.435 0.024 3 499 78 49 PHE CZ C 130.192 0.000 1 500 78 49 PHE N N 116.858 0.023 1 501 79 50 LEU H H 8.799 0.005 1 502 79 50 LEU HA H 4.624 0.007 1 503 79 50 LEU HB2 H 1.581 0.007 2 504 79 50 LEU HB3 H 1.518 0.009 2 505 79 50 LEU HG H 1.389 0.006 1 506 79 50 LEU HD1 H 0.478 0.011 2 507 79 50 LEU HD2 H 0.162 0.007 2 508 79 50 LEU C C 174.393 0.000 1 509 79 50 LEU CA C 54.538 0.037 1 510 79 50 LEU CB C 40.659 0.023 1 511 79 50 LEU CG C 26.875 0.043 1 512 79 50 LEU CD1 C 25.532 0.052 1 513 79 50 LEU CD2 C 26.901 0.011 1 514 79 50 LEU N N 121.025 0.023 1 515 80 51 PRO HA H 4.532 0.009 1 516 80 51 PRO HB2 H 2.394 0.006 2 517 80 51 PRO HB3 H 1.713 0.008 2 518 80 51 PRO HD2 H 3.740 0.012 2 519 80 51 PRO HD3 H 3.556 0.008 2 520 80 51 PRO CA C 61.685 0.017 1 521 80 51 PRO CB C 30.427 0.051 1 522 80 51 PRO CD C 49.840 0.037 1 523 81 52 PRO HA H 4.252 0.009 1 524 81 52 PRO HB2 H 1.781 0.009 2 525 81 52 PRO HB3 H 2.079 0.010 2 526 81 52 PRO HG2 H 2.123 0.008 2 527 81 52 PRO HG3 H 1.984 0.007 2 528 81 52 PRO HD2 H 3.563 0.011 2 529 81 52 PRO HD3 H 3.327 0.011 2 530 81 52 PRO C C 175.364 0.000 1 531 81 52 PRO CA C 62.983 0.052 1 532 81 52 PRO CB C 32.120 0.025 1 533 81 52 PRO CG C 27.869 0.051 1 534 81 52 PRO CD C 50.662 0.035 1 535 82 53 GLY H H 8.476 0.002 1 536 82 53 GLY HA2 H 4.123 0.011 2 537 82 53 GLY HA3 H 3.709 0.008 2 538 82 53 GLY C C 171.590 0.000 1 539 82 53 GLY CA C 44.246 0.015 1 540 82 53 GLY N N 107.059 0.024 1 541 83 54 SER H H 8.010 0.003 1 542 83 54 SER HA H 5.239 0.006 1 543 83 54 SER HB2 H 3.720 0.008 2 544 83 54 SER HB3 H 3.544 0.011 2 545 83 54 SER C C 173.495 0.000 1 546 83 54 SER CA C 57.518 0.042 1 547 83 54 SER CB C 63.523 0.046 1 548 83 54 SER N N 115.746 0.039 1 549 84 55 TYR H H 8.741 0.004 1 550 84 55 TYR HA H 4.790 0.015 1 551 84 55 TYR HB2 H 2.851 0.010 2 552 84 55 TYR HB3 H 2.098 0.008 2 553 84 55 TYR HD1 H 6.743 0.006 3 554 84 55 TYR HD2 H 6.743 0.006 3 555 84 55 TYR HE1 H 6.621 0.003 3 556 84 55 TYR HE2 H 6.621 0.003 3 557 84 55 TYR C C 175.463 0.000 1 558 84 55 TYR CA C 56.315 0.019 1 559 84 55 TYR CB C 44.213 0.041 1 560 84 55 TYR CD1 C 133.319 0.037 3 561 84 55 TYR CE1 C 117.286 0.000 3 562 84 55 TYR N N 120.903 0.033 1 563 85 56 THR H H 9.040 0.004 1 564 85 56 THR HA H 4.519 0.008 1 565 85 56 THR HB H 4.003 0.006 1 566 85 56 THR HG2 H 1.031 0.006 1 567 85 56 THR C C 174.237 0.000 1 568 85 56 THR CA C 62.836 0.067 1 569 85 56 THR CB C 68.394 0.054 1 570 85 56 THR CG2 C 22.222 0.043 1 571 85 56 THR N N 118.877 0.041 1 572 86 57 ALA H H 9.103 0.006 1 573 86 57 ALA HA H 4.798 0.012 1 574 86 57 ALA HB H 1.222 0.009 1 575 86 57 ALA C C 175.311 0.000 1 576 86 57 ALA CA C 50.749 0.043 1 577 86 57 ALA CB C 20.467 0.032 1 578 86 57 ALA N N 130.936 0.021 1 579 87 58 GLN H H 9.068 0.010 1 580 87 58 GLN HA H 4.644 0.008 1 581 87 58 GLN HB2 H 2.101 0.006 2 582 87 58 GLN HB3 H 1.915 0.010 2 583 87 58 GLN HG2 H 2.236 0.010 2 584 87 58 GLN HG3 H 2.236 0.010 2 585 87 58 GLN HE21 H 6.556 0.003 1 586 87 58 GLN HE22 H 7.299 0.004 1 587 87 58 GLN C C 174.526 0.000 1 588 87 58 GLN CA C 54.527 0.029 1 589 87 58 GLN CB C 28.930 0.015 1 590 87 58 GLN CG C 33.029 0.072 1 591 87 58 GLN CD C 180.027 0.000 1 592 87 58 GLN N N 123.370 0.052 1 593 87 58 GLN NE2 N 111.205 0.028 1 594 88 59 VAL H H 8.909 0.008 1 595 88 59 VAL HA H 4.261 0.007 1 596 88 59 VAL HB H 2.032 0.009 1 597 88 59 VAL HG1 H 0.728 0.012 2 598 88 59 VAL HG2 H 0.762 0.009 2 599 88 59 VAL C C 175.776 0.000 1 600 88 59 VAL CA C 60.180 0.043 1 601 88 59 VAL CB C 31.105 0.002 1 602 88 59 VAL CG1 C 21.104 0.046 1 603 88 59 VAL CG2 C 22.147 0.048 1 604 88 59 VAL N N 127.008 0.034 1 605 89 60 GLY H H 8.645 0.006 1 606 89 60 GLY HA2 H 3.991 0.010 2 607 89 60 GLY HA3 H 3.992 0.011 2 608 89 60 GLY C C 175.081 0.000 1 609 89 60 GLY CA C 47.567 0.046 1 610 89 60 GLY N N 118.064 0.021 1 611 90 61 GLN H H 9.051 0.012 1 612 90 61 GLN HA H 4.323 0.006 1 613 90 61 GLN HB2 H 2.363 0.006 2 614 90 61 GLN HB3 H 1.918 0.003 2 615 90 61 GLN HG2 H 2.365 0.009 2 616 90 61 GLN HG3 H 2.369 0.008 2 617 90 61 GLN HE21 H 7.471 0.003 1 618 90 61 GLN HE22 H 6.826 0.004 1 619 90 61 GLN C C 175.461 0.000 1 620 90 61 GLN CA C 56.129 0.062 1 621 90 61 GLN CB C 28.946 0.011 1 622 90 61 GLN CG C 34.218 0.015 1 623 90 61 GLN CD C 180.515 0.000 1 624 90 61 GLN N N 125.774 0.044 1 625 90 61 GLN NE2 N 113.409 0.017 1 626 91 62 GLN H H 7.673 0.002 1 627 91 62 GLN HA H 4.662 0.009 1 628 91 62 GLN HB2 H 2.003 0.007 2 629 91 62 GLN HB3 H 2.113 0.014 2 630 91 62 GLN HG2 H 2.335 0.012 2 631 91 62 GLN HG3 H 2.335 0.012 2 632 91 62 GLN HE21 H 7.056 0.001 1 633 91 62 GLN HE22 H 7.695 0.006 1 634 91 62 GLN C C 173.927 0.000 1 635 91 62 GLN CA C 54.998 0.000 1 636 91 62 GLN CB C 32.918 0.046 1 637 91 62 GLN CG C 34.873 0.029 1 638 91 62 GLN CD C 180.277 0.000 1 639 91 62 GLN N N 118.051 0.014 1 640 91 62 GLN NE2 N 113.568 0.021 1 641 92 63 SER H H 8.612 0.008 1 642 92 63 SER HA H 5.327 0.007 1 643 92 63 SER HB2 H 3.674 0.012 2 644 92 63 SER HB3 H 3.676 0.012 2 645 92 63 SER C C 173.779 0.000 1 646 92 63 SER CA C 56.999 0.026 1 647 92 63 SER CB C 65.261 0.030 1 648 92 63 SER N N 117.181 0.030 1 649 93 64 LEU H H 8.958 0.007 1 650 93 64 LEU HA H 4.952 0.007 1 651 93 64 LEU HB2 H 1.616 0.008 2 652 93 64 LEU HB3 H 1.269 0.009 2 653 93 64 LEU HG H 1.278 0.009 1 654 93 64 LEU HD1 H 0.563 0.008 2 655 93 64 LEU HD2 H 0.893 0.009 2 656 93 64 LEU C C 173.779 0.000 1 657 93 64 LEU CA C 52.595 0.030 1 658 93 64 LEU CB C 46.041 0.046 1 659 93 64 LEU CG C 26.798 0.072 1 660 93 64 LEU CD1 C 26.232 0.029 1 661 93 64 LEU CD2 C 24.055 0.045 1 662 93 64 LEU N N 123.349 0.014 1 663 94 65 PRO HA H 5.002 0.010 1 664 94 65 PRO HB2 H 2.329 0.009 2 665 94 65 PRO HB3 H 1.944 0.015 2 666 94 65 PRO HG2 H 1.960 0.010 2 667 94 65 PRO HG3 H 2.184 0.008 2 668 94 65 PRO HD2 H 3.763 0.009 2 669 94 65 PRO HD3 H 3.860 0.012 2 670 94 65 PRO C C 176.866 0.000 1 671 94 65 PRO CA C 62.776 0.052 1 672 94 65 PRO CB C 31.762 0.030 1 673 94 65 PRO CG C 27.762 0.045 1 674 94 65 PRO CD C 51.317 0.027 1 675 95 66 VAL H H 9.101 0.005 1 676 95 66 VAL HA H 4.727 0.013 1 677 95 66 VAL HB H 1.849 0.008 1 678 95 66 VAL HG1 H 0.833 0.010 2 679 95 66 VAL HG2 H 0.720 0.011 2 680 95 66 VAL C C 173.708 0.000 1 681 95 66 VAL CA C 58.915 0.055 1 682 95 66 VAL CB C 36.168 0.043 1 683 95 66 VAL CG1 C 23.629 0.044 1 684 95 66 VAL CG2 C 19.852 0.030 1 685 95 66 VAL N N 115.469 0.025 1 686 96 67 LYS H H 7.852 0.004 1 687 96 67 LYS HA H 4.747 0.012 1 688 96 67 LYS HB2 H 1.674 0.009 2 689 96 67 LYS HB3 H 1.530 0.010 2 690 96 67 LYS HG2 H 1.168 0.007 2 691 96 67 LYS HG3 H 1.134 0.006 2 692 96 67 LYS HD2 H 1.673 0.010 2 693 96 67 LYS HD3 H 1.540 0.012 2 694 96 67 LYS HE2 H 2.893 0.009 2 695 96 67 LYS HE3 H 2.929 0.005 2 696 96 67 LYS C C 173.769 0.000 1 697 96 67 LYS CA C 55.505 0.049 1 698 96 67 LYS CB C 33.859 0.031 1 699 96 67 LYS CG C 25.156 0.039 1 700 96 67 LYS CD C 28.829 0.050 1 701 96 67 LYS CE C 41.820 0.040 1 702 96 67 LYS N N 125.032 0.020 1 703 97 68 LEU H H 8.791 0.003 1 704 97 68 LEU HA H 4.388 0.008 1 705 97 68 LEU HB2 H 1.139 0.012 2 706 97 68 LEU HB3 H 1.796 0.011 2 707 97 68 LEU HG H 1.434 0.012 1 708 97 68 LEU HD1 H 0.539 0.010 2 709 97 68 LEU HD2 H -0.040 0.007 2 710 97 68 LEU C C 176.102 0.000 1 711 97 68 LEU CA C 52.530 0.052 1 712 97 68 LEU CB C 42.403 0.042 1 713 97 68 LEU CG C 27.356 0.056 1 714 97 68 LEU CD1 C 27.233 0.036 1 715 97 68 LEU CD2 C 22.500 0.026 1 716 97 68 LEU N N 124.291 0.027 1 717 98 69 ASP H H 8.879 0.006 1 718 98 69 ASP HA H 5.045 0.011 1 719 98 69 ASP HB2 H 2.615 0.011 2 720 98 69 ASP HB3 H 2.704 0.004 2 721 98 69 ASP C C 176.102 0.000 1 722 98 69 ASP CA C 52.750 0.037 1 723 98 69 ASP CB C 40.290 0.025 1 724 98 69 ASP N N 126.305 0.033 1 725 99 70 PRO HA H 4.263 0.009 1 726 99 70 PRO HB2 H 2.368 0.010 2 727 99 70 PRO HB3 H 2.368 0.010 2 728 99 70 PRO HG2 H 1.842 0.013 2 729 99 70 PRO HG3 H 1.842 0.013 2 730 99 70 PRO HD2 H 3.673 0.010 2 731 99 70 PRO HD3 H 3.802 0.004 2 732 99 70 PRO C C 178.365 0.000 1 733 99 70 PRO CA C 63.307 0.045 1 734 99 70 PRO CB C 32.412 0.031 1 735 99 70 PRO CG C 27.569 0.000 1 736 99 70 PRO CD C 50.388 0.026 1 737 100 71 ASP H H 7.723 0.004 1 738 100 71 ASP HA H 4.485 0.006 1 739 100 71 ASP HB2 H 2.985 0.009 2 740 100 71 ASP HB3 H 2.757 0.007 2 741 100 71 ASP C C 174.388 0.000 1 742 100 71 ASP CA C 55.634 0.008 1 743 100 71 ASP CB C 39.993 0.015 1 744 100 71 ASP N N 118.986 0.029 1 745 101 72 SER H H 7.100 0.007 1 746 101 72 SER HA H 4.847 0.008 1 747 101 72 SER HB2 H 4.036 0.009 2 748 101 72 SER HB3 H 3.664 0.010 2 749 101 72 SER C C 170.479 0.000 1 750 101 72 SER CA C 58.728 0.019 1 751 101 72 SER CB C 66.266 0.000 1 752 101 72 SER N N 112.417 0.030 1 753 102 73 TYR H H 8.602 0.005 1 754 102 73 TYR HA H 5.232 0.010 1 755 102 73 TYR HB2 H 3.063 0.010 2 756 102 73 TYR HB3 H 2.209 0.014 2 757 102 73 TYR HD1 H 5.847 0.015 3 758 102 73 TYR HD2 H 5.847 0.015 3 759 102 73 TYR HE1 H 5.817 0.014 3 760 102 73 TYR HE2 H 5.817 0.014 3 761 102 73 TYR C C 176.044 0.000 1 762 102 73 TYR CA C 56.503 0.017 1 763 102 73 TYR CB C 40.621 0.006 1 764 102 73 TYR CD1 C 132.051 0.011 3 765 102 73 TYR CE1 C 117.497 0.011 3 766 102 73 TYR N N 122.245 0.062 1 767 103 74 TYR H H 8.942 0.006 1 768 103 74 TYR HA H 5.382 0.008 1 769 103 74 TYR HB2 H 2.932 0.007 2 770 103 74 TYR HB3 H 2.764 0.010 2 771 103 74 TYR HD1 H 7.016 0.010 3 772 103 74 TYR HD2 H 7.016 0.010 3 773 103 74 TYR HE1 H 7.188 0.010 3 774 103 74 TYR HE2 H 7.188 0.010 3 775 103 74 TYR C C 174.500 0.000 1 776 103 74 TYR CA C 57.138 0.009 1 777 103 74 TYR CB C 44.867 0.037 1 778 103 74 TYR CD2 C 132.000 0.010 3 779 103 74 TYR CE2 C 115.223 0.000 3 780 103 74 TYR N N 117.741 0.024 1 781 104 75 THR H H 9.809 0.004 1 782 104 75 THR HA H 4.706 0.010 1 783 104 75 THR HB H 4.249 0.007 1 784 104 75 THR HG2 H 0.762 0.008 1 785 104 75 THR C C 174.129 0.000 1 786 104 75 THR CA C 60.834 0.032 1 787 104 75 THR CB C 70.834 0.007 1 788 104 75 THR CG2 C 23.889 0.048 1 789 104 75 THR N N 119.901 0.009 1 790 105 76 LEU H H 9.462 0.010 1 791 105 76 LEU HA H 5.035 0.007 1 792 105 76 LEU HB2 H 1.517 0.009 2 793 105 76 LEU HB3 H 1.202 0.012 2 794 105 76 LEU HG H 1.421 0.010 1 795 105 76 LEU HD1 H 0.646 0.009 2 796 105 76 LEU HD2 H 0.561 0.009 2 797 105 76 LEU C C 174.692 0.000 1 798 105 76 LEU CA C 53.895 0.030 1 799 105 76 LEU CB C 43.230 0.038 1 800 105 76 LEU CG C 27.588 0.064 1 801 105 76 LEU CD1 C 25.713 0.058 1 802 105 76 LEU CD2 C 26.242 0.039 1 803 105 76 LEU N N 129.229 0.025 1 804 106 77 VAL H H 9.163 0.005 1 805 106 77 VAL HA H 4.777 0.010 1 806 106 77 VAL HB H 1.898 0.011 1 807 106 77 VAL HG1 H 1.057 0.011 2 808 106 77 VAL HG2 H 0.762 0.005 2 809 106 77 VAL C C 176.128 0.000 1 810 106 77 VAL CA C 61.247 0.053 1 811 106 77 VAL CB C 34.740 0.033 1 812 106 77 VAL CG1 C 23.605 0.047 1 813 106 77 VAL CG2 C 20.625 0.046 1 814 106 77 VAL N N 123.990 0.064 1 815 107 78 SER H H 7.790 0.005 1 816 107 78 SER HA H 4.633 0.006 1 817 107 78 SER HB2 H 3.513 0.008 2 818 107 78 SER HB3 H 3.234 0.005 2 819 107 78 SER C C 173.183 0.000 1 820 107 78 SER CA C 55.409 0.010 1 821 107 78 SER CB C 64.783 0.015 1 822 107 78 SER N N 119.570 0.028 1 823 108 79 GLN H H 8.953 0.006 1 824 108 79 GLN HA H 4.776 0.007 1 825 108 79 GLN HB2 H 1.719 0.010 2 826 108 79 GLN HB3 H 1.950 0.011 2 827 108 79 GLN HG2 H 2.241 0.006 2 828 108 79 GLN HG3 H 2.111 0.008 2 829 108 79 GLN HE21 H 7.261 0.002 1 830 108 79 GLN HE22 H 7.383 0.006 1 831 108 79 GLN C C 173.183 0.000 1 832 108 79 GLN CA C 52.298 0.024 1 833 108 79 GLN CB C 30.533 0.031 1 834 108 79 GLN CG C 33.088 0.041 1 835 108 79 GLN CD C 179.485 0.000 1 836 108 79 GLN N N 124.319 0.027 1 837 108 79 GLN NE2 N 111.670 0.036 1 838 109 80 PRO HA H 4.315 0.011 1 839 109 80 PRO HB2 H 2.249 0.008 2 840 109 80 PRO HB3 H 1.913 0.005 2 841 109 80 PRO HG2 H 2.112 0.011 2 842 109 80 PRO HG3 H 2.112 0.011 2 843 109 80 PRO HD2 H 3.322 0.006 2 844 109 80 PRO HD3 H 3.569 0.007 2 845 109 80 PRO CA C 63.480 0.024 1 846 109 80 PRO CB C 31.490 0.046 1 847 109 80 PRO CG C 27.902 0.075 1 848 109 80 PRO CD C 50.665 0.030 1 849 110 81 GLY HA2 H 4.268 0.000 2 850 110 81 GLY HA3 H 4.268 0.000 2 851 111 82 GLY HA2 H 4.486 0.010 2 852 111 82 GLY HA3 H 3.618 0.004 2 853 111 82 GLY C C 172.908 0.000 1 854 111 82 GLY CA C 43.968 0.068 1 855 112 83 LYS H H 8.462 0.002 1 856 112 83 LYS HA H 4.629 0.008 1 857 112 83 LYS HB2 H 1.900 0.009 2 858 112 83 LYS HB3 H 1.723 0.009 2 859 112 83 LYS HG2 H 1.571 0.010 2 860 112 83 LYS HG3 H 1.571 0.010 2 861 112 83 LYS HD2 H 2.100 0.006 2 862 112 83 LYS HD3 H 2.170 0.000 2 863 112 83 LYS CA C 54.491 0.062 1 864 112 83 LYS CB C 32.238 0.043 1 865 112 83 LYS CG C 25.085 0.061 1 866 112 83 LYS CD C 28.931 0.000 1 867 112 83 LYS N N 121.676 0.031 1 868 113 84 PRO HA H 5.086 0.009 1 869 113 84 PRO HB2 H 2.176 0.009 2 870 113 84 PRO HB3 H 1.717 0.010 2 871 113 84 PRO HG2 H 1.873 0.010 2 872 113 84 PRO HG3 H 1.831 0.007 2 873 113 84 PRO HD2 H 3.720 0.007 2 874 113 84 PRO HD3 H 3.720 0.007 2 875 113 84 PRO C C 174.578 0.000 1 876 113 84 PRO CA C 62.451 0.056 1 877 113 84 PRO CB C 32.217 0.030 1 878 113 84 PRO CG C 27.872 0.052 1 879 113 84 PRO CD C 49.924 0.052 1 880 114 85 GLN H H 8.022 0.002 1 881 114 85 GLN HA H 4.666 0.005 1 882 114 85 GLN HB2 H 1.753 0.011 2 883 114 85 GLN HB3 H 1.996 0.011 2 884 114 85 GLN HG2 H 2.263 0.008 2 885 114 85 GLN HG3 H 2.298 0.007 2 886 114 85 GLN HE21 H 6.830 0.002 1 887 114 85 GLN HE22 H 7.570 0.001 1 888 114 85 GLN C C 173.088 0.000 1 889 114 85 GLN CA C 54.643 0.047 1 890 114 85 GLN CB C 34.145 0.056 1 891 114 85 GLN CG C 34.201 0.026 1 892 114 85 GLN CD C 180.637 0.000 1 893 114 85 GLN N N 114.988 0.008 1 894 114 85 GLN NE2 N 112.829 0.018 1 895 115 86 LEU H H 8.895 0.006 1 896 115 86 LEU HA H 4.738 0.014 1 897 115 86 LEU HB2 H 2.093 0.009 2 898 115 86 LEU HB3 H 1.136 0.011 2 899 115 86 LEU HG H 0.672 0.008 1 900 115 86 LEU HD1 H 0.670 0.009 2 901 115 86 LEU HD2 H 0.610 0.008 2 902 115 86 LEU C C 175.335 0.000 1 903 115 86 LEU CA C 54.345 0.015 1 904 115 86 LEU CB C 43.468 0.028 1 905 115 86 LEU CG C 26.324 0.042 1 906 115 86 LEU CD1 C 26.295 0.038 1 907 115 86 LEU CD2 C 24.291 0.025 1 908 115 86 LEU N N 125.764 0.013 1 909 116 87 VAL H H 9.509 0.007 1 910 116 87 VAL HA H 4.435 0.012 1 911 116 87 VAL HB H 2.411 0.007 1 912 116 87 VAL HG1 H 1.036 0.008 2 913 116 87 VAL HG2 H 0.902 0.013 2 914 116 87 VAL C C 175.453 0.000 1 915 116 87 VAL CA C 61.679 0.056 1 916 116 87 VAL CB C 33.656 0.014 1 917 116 87 VAL CG1 C 22.632 0.042 1 918 116 87 VAL CG2 C 22.474 0.043 1 919 116 87 VAL N N 131.224 0.034 1 920 117 88 ALA H H 8.926 0.007 1 921 117 88 ALA HA H 4.328 0.009 1 922 117 88 ALA HB H 1.434 0.006 1 923 117 88 ALA C C 177.022 0.000 1 924 117 88 ALA CA C 53.002 0.054 1 925 117 88 ALA CB C 19.197 0.053 1 926 117 88 ALA N N 130.469 0.012 1 927 118 89 GLU H H 7.995 0.004 1 928 118 89 GLU HA H 4.788 0.011 1 929 118 89 GLU HB2 H 2.744 0.012 2 930 118 89 GLU HB3 H 2.744 0.012 2 931 118 89 GLU C C 177.022 0.000 1 932 118 89 GLU CA C 51.198 0.034 1 933 118 89 GLU CB C 29.974 0.000 1 934 118 89 GLU N N 120.762 0.035 1 935 119 90 PRO HA H 4.507 0.015 1 936 119 90 PRO HB2 H 2.369 0.014 2 937 119 90 PRO HB3 H 2.369 0.014 2 938 119 90 PRO HG2 H 1.692 0.010 2 939 119 90 PRO HG3 H 1.692 0.010 2 940 119 90 PRO HD2 H 3.391 0.011 2 941 119 90 PRO HD3 H 2.741 0.008 2 942 119 90 PRO CB C 32.404 0.018 1 943 119 90 PRO CG C 27.727 0.020 1 944 119 90 PRO CD C 49.580 0.029 1 945 120 91 PRO HA H 4.170 0.007 1 946 120 91 PRO HB2 H 1.682 0.010 2 947 120 91 PRO HB3 H 1.980 0.009 2 948 120 91 PRO HD2 H 3.646 0.011 2 949 120 91 PRO HD3 H 3.773 0.006 2 950 120 91 PRO CA C 62.788 0.042 1 951 120 91 PRO CB C 32.776 0.023 1 952 120 91 PRO CD C 50.491 0.019 1 953 121 92 PHE H H 8.504 0.006 1 954 121 92 PHE HA H 4.723 0.004 1 955 121 92 PHE HB2 H 2.714 0.005 2 956 121 92 PHE HB3 H 2.535 0.010 2 957 121 92 PHE HD1 H 6.753 0.000 3 958 121 92 PHE HD2 H 6.753 0.000 3 959 121 92 PHE HE1 H 7.199 0.005 3 960 121 92 PHE HE2 H 7.199 0.005 3 961 121 92 PHE CA C 56.501 0.017 1 962 121 92 PHE CB C 41.642 0.032 1 963 121 92 PHE CD1 C 130.301 0.000 3 964 121 92 PHE CE1 C 131.954 0.000 3 965 121 92 PHE N N 115.446 0.038 1 966 122 93 LYS H H 7.674 0.000 1 967 122 93 LYS HA H 4.171 0.002 1 968 122 93 LYS HB2 H 1.441 0.007 2 969 122 93 LYS HB3 H 1.720 0.010 2 970 122 93 LYS HG2 H 1.133 0.012 2 971 122 93 LYS HG3 H 1.134 0.012 2 972 122 93 LYS HD2 H 1.538 0.010 2 973 122 93 LYS HD3 H 1.538 0.010 2 974 122 93 LYS HE2 H 2.837 0.007 2 975 122 93 LYS HE3 H 2.837 0.007 2 976 122 93 LYS C C 174.857 0.000 1 977 122 93 LYS CA C 55.174 0.005 1 978 122 93 LYS CB C 33.299 0.024 1 979 122 93 LYS CG C 24.701 0.039 1 980 122 93 LYS CD C 28.829 0.059 1 981 122 93 LYS CE C 41.713 0.009 1 982 122 93 LYS N N 118.067 0.000 1 983 123 94 ASN H H 6.093 0.004 1 984 123 94 ASN HA H 4.304 0.009 1 985 123 94 ASN HB2 H 2.508 0.002 2 986 123 94 ASN HB3 H 2.184 0.003 2 987 123 94 ASN HD21 H 7.872 0.007 1 988 123 94 ASN HD22 H 6.911 0.003 1 989 123 94 ASN C C 174.421 0.000 1 990 123 94 ASN CA C 52.829 0.013 1 991 123 94 ASN CB C 39.509 0.004 1 992 123 94 ASN CG C 177.092 0.000 1 993 123 94 ASN N N 118.763 0.027 1 994 123 94 ASN ND2 N 114.051 0.031 1 995 124 95 LYS H H 8.287 0.010 1 996 124 95 LYS HA H 4.018 0.007 1 997 124 95 LYS HB2 H 1.835 0.006 2 998 124 95 LYS HB3 H 1.890 0.008 2 999 124 95 LYS HG2 H 1.276 0.008 2 1000 124 95 LYS HG3 H 1.337 0.009 2 1001 124 95 LYS HD2 H 1.545 0.005 2 1002 124 95 LYS HD3 H 1.545 0.005 2 1003 124 95 LYS HE2 H 2.880 0.012 2 1004 124 95 LYS HE3 H 2.880 0.012 2 1005 124 95 LYS C C 176.526 0.000 1 1006 124 95 LYS CA C 56.647 0.004 1 1007 124 95 LYS CB C 32.653 0.068 1 1008 124 95 LYS CG C 25.064 0.058 1 1009 124 95 LYS CD C 28.712 0.013 1 1010 124 95 LYS CE C 41.845 0.025 1 1011 124 95 LYS N N 121.249 0.043 1 1012 125 96 GLN H H 8.269 0.002 1 1013 125 96 GLN HA H 4.394 0.008 1 1014 125 96 GLN HB2 H 2.212 0.008 2 1015 125 96 GLN HB3 H 1.983 0.007 2 1016 125 96 GLN HG2 H 2.345 0.008 2 1017 125 96 GLN HG3 H 2.271 0.010 2 1018 125 96 GLN HE21 H 6.816 0.009 1 1019 125 96 GLN HE22 H 7.497 0.006 1 1020 125 96 GLN C C 175.903 0.000 1 1021 125 96 GLN CA C 56.305 0.024 1 1022 125 96 GLN CB C 30.457 0.049 1 1023 125 96 GLN CG C 33.854 0.041 1 1024 125 96 GLN CD C 180.107 0.000 1 1025 125 96 GLN N N 114.943 0.011 1 1026 125 96 GLN NE2 N 112.147 0.021 1 1027 126 97 LYS H H 7.334 0.007 1 1028 126 97 LYS HA H 4.586 0.007 1 1029 126 97 LYS HB2 H 2.165 0.006 2 1030 126 97 LYS HB3 H 1.573 0.012 2 1031 126 97 LYS HG2 H 1.540 0.012 2 1032 126 97 LYS HG3 H 1.258 0.005 2 1033 126 97 LYS HD2 H 1.444 0.005 2 1034 126 97 LYS HD3 H 1.444 0.005 2 1035 126 97 LYS HE2 H 2.893 0.004 2 1036 126 97 LYS HE3 H 2.893 0.004 2 1037 126 97 LYS C C 174.078 0.000 1 1038 126 97 LYS CA C 53.786 0.060 1 1039 126 97 LYS CB C 35.759 0.042 1 1040 126 97 LYS CG C 25.366 0.055 1 1041 126 97 LYS CD C 28.719 0.094 1 1042 126 97 LYS CE C 42.029 0.000 1 1043 126 97 LYS N N 117.842 0.024 1 1044 127 98 ALA H H 8.746 0.009 1 1045 127 98 ALA HA H 4.952 0.011 1 1046 127 98 ALA HB H 1.210 0.010 1 1047 127 98 ALA C C 174.689 0.000 1 1048 127 98 ALA CA C 50.654 0.032 1 1049 127 98 ALA CB C 23.920 0.071 1 1050 127 98 ALA N N 122.728 0.025 1 1051 128 99 LEU H H 8.208 0.006 1 1052 128 99 LEU HA H 4.634 0.014 1 1053 128 99 LEU HB2 H 0.963 0.011 2 1054 128 99 LEU HB3 H -0.699 0.008 2 1055 128 99 LEU HG H 0.447 0.010 1 1056 128 99 LEU HD1 H 0.828 0.011 2 1057 128 99 LEU HD2 H 0.518 0.009 2 1058 128 99 LEU C C 175.094 0.000 1 1059 128 99 LEU CA C 53.485 0.000 1 1060 128 99 LEU CB C 44.625 0.016 1 1061 128 99 LEU CG C 25.950 0.073 1 1062 128 99 LEU CD1 C 22.547 0.069 1 1063 128 99 LEU CD2 C 24.312 0.056 1 1064 128 99 LEU N N 121.230 0.031 1 1065 129 100 VAL H H 8.295 0.005 1 1066 129 100 VAL HA H 4.804 0.009 1 1067 129 100 VAL HB H 1.745 0.011 1 1068 129 100 VAL HG1 H 0.783 0.009 2 1069 129 100 VAL HG2 H 0.837 0.010 2 1070 129 100 VAL C C 172.668 0.000 1 1071 129 100 VAL CA C 59.797 0.042 1 1072 129 100 VAL CB C 33.513 0.047 1 1073 129 100 VAL CG1 C 22.347 0.006 1 1074 129 100 VAL CG2 C 22.478 0.049 1 1075 129 100 VAL N N 124.872 0.030 1 1076 130 101 ARG H H 8.490 0.007 1 1077 130 101 ARG HA H 5.485 0.008 1 1078 130 101 ARG HB2 H 1.780 0.009 2 1079 130 101 ARG HB3 H 1.558 0.011 2 1080 130 101 ARG HG2 H 1.097 0.015 2 1081 130 101 ARG HG3 H 1.800 0.013 2 1082 130 101 ARG HD2 H 2.986 0.013 2 1083 130 101 ARG HD3 H 3.092 0.009 2 1084 130 101 ARG HE H 9.642 0.006 1 1085 130 101 ARG C C 175.553 0.000 1 1086 130 101 ARG CA C 52.798 0.040 1 1087 130 101 ARG CB C 33.956 0.033 1 1088 130 101 ARG CG C 26.679 0.037 1 1089 130 101 ARG CD C 43.120 0.024 1 1090 130 101 ARG N N 128.132 0.028 1 1091 130 101 ARG NE N 85.963 0.060 1 1092 131 102 VAL H H 9.406 0.007 1 1093 131 102 VAL HA H 4.478 0.007 1 1094 131 102 VAL HB H 1.987 0.007 1 1095 131 102 VAL HG1 H 0.819 0.011 2 1096 131 102 VAL HG2 H 0.691 0.013 2 1097 131 102 VAL C C 175.552 0.000 1 1098 131 102 VAL CA C 61.002 0.055 1 1099 131 102 VAL CB C 33.649 0.023 1 1100 131 102 VAL CG1 C 22.513 0.054 1 1101 131 102 VAL CG2 C 20.141 0.049 1 1102 131 102 VAL N N 126.448 0.016 1 1103 132 103 GLN H H 8.666 0.004 1 1104 132 103 GLN HA H 4.549 0.009 1 1105 132 103 GLN HB2 H 1.770 0.000 2 1106 132 103 GLN HG2 H 2.993 0.000 2 1107 132 103 GLN HE21 H 6.993 0.006 1 1108 132 103 GLN HE22 H 5.857 0.013 1 1109 132 103 GLN C C 173.309 0.000 1 1110 132 103 GLN CA C 54.797 0.039 1 1111 132 103 GLN CB C 27.048 0.000 1 1112 132 103 GLN CG C 30.710 0.000 1 1113 132 103 GLN N N 127.553 0.053 1 1114 132 103 GLN NE2 N 107.994 0.054 1 1115 133 104 ASN H H 8.345 0.005 1 1116 133 104 ASN HA H 4.687 0.012 1 1117 133 104 ASN HB2 H 3.505 0.009 2 1118 133 104 ASN HB3 H 1.961 0.013 2 1119 133 104 ASN HD21 H 6.509 0.007 1 1120 133 104 ASN HD22 H 7.940 0.006 1 1121 133 104 ASN C C 173.931 0.000 1 1122 133 104 ASN CA C 51.812 0.024 1 1123 133 104 ASN CB C 38.625 0.051 1 1124 133 104 ASN CG C 176.104 0.000 1 1125 133 104 ASN N N 119.558 0.039 1 1126 133 104 ASN ND2 N 113.593 0.059 1 1127 134 105 LEU H H 8.723 0.007 1 1128 134 105 LEU HA H 4.682 0.008 1 1129 134 105 LEU HB2 H 2.106 0.012 2 1130 134 105 LEU HB3 H 1.751 0.008 2 1131 134 105 LEU HG H 1.750 0.003 1 1132 134 105 LEU HD1 H 0.966 0.007 2 1133 134 105 LEU HD2 H 0.880 0.010 2 1134 134 105 LEU C C 176.833 0.000 1 1135 134 105 LEU CA C 54.396 0.054 1 1136 134 105 LEU CB C 40.775 0.025 1 1137 134 105 LEU CG C 28.893 0.019 1 1138 134 105 LEU CD1 C 25.836 0.046 1 1139 134 105 LEU CD2 C 24.750 0.050 1 1140 134 105 LEU N N 127.534 0.028 1 1141 135 106 SER H H 8.227 0.005 1 1142 135 106 SER HA H 4.826 0.009 1 1143 135 106 SER HB2 H 4.040 0.007 2 1144 135 106 SER HB3 H 3.375 0.012 2 1145 135 106 SER C C 172.659 0.000 1 1146 135 106 SER CA C 58.060 0.067 1 1147 135 106 SER CB C 66.357 0.038 1 1148 135 106 SER N N 120.492 0.030 1 1149 136 107 GLY H H 7.989 0.007 1 1150 136 107 GLY HA2 H 3.694 0.009 2 1151 136 107 GLY HA3 H 4.379 0.012 2 1152 136 107 GLY C C 175.333 0.000 1 1153 136 107 GLY CA C 45.201 0.035 1 1154 136 107 GLY N N 132.747 0.021 1 1155 137 108 SER H H 8.379 0.008 1 1156 137 108 SER HA H 4.632 0.005 1 1157 137 108 SER HB2 H 3.387 0.010 2 1158 137 108 SER HB3 H 3.690 0.013 2 1159 137 108 SER C C 171.342 0.000 1 1160 137 108 SER CA C 57.925 0.000 1 1161 137 108 SER CB C 65.177 0.022 1 1162 137 108 SER N N 118.625 0.023 1 1163 138 109 LYS H H 8.695 0.004 1 1164 138 109 LYS HA H 4.573 0.007 1 1165 138 109 LYS HB2 H 1.536 0.009 2 1166 138 109 LYS HB3 H 1.742 0.011 2 1167 138 109 LYS HG2 H 1.060 0.006 2 1168 138 109 LYS HG3 H 0.950 0.011 2 1169 138 109 LYS HE2 H 2.838 0.006 2 1170 138 109 LYS HE3 H 2.838 0.006 2 1171 138 109 LYS C C 176.268 0.000 1 1172 138 109 LYS CA C 55.744 0.029 1 1173 138 109 LYS CB C 32.347 0.046 1 1174 138 109 LYS CG C 24.528 0.049 1 1175 138 109 LYS CE C 40.995 0.022 1 1176 138 109 LYS N N 124.644 0.032 1 1177 139 110 LEU H H 7.905 0.006 1 1178 139 110 LEU HA H 5.193 0.008 1 1179 139 110 LEU HB2 H 1.308 0.010 2 1180 139 110 LEU HB3 H 1.307 0.010 2 1181 139 110 LEU HG H 1.430 0.000 1 1182 139 110 LEU HD1 H 0.662 0.008 2 1183 139 110 LEU HD2 H 0.671 0.007 2 1184 139 110 LEU C C 175.514 0.000 1 1185 139 110 LEU CA C 53.902 0.011 1 1186 139 110 LEU CB C 46.978 0.000 1 1187 139 110 LEU CG C 27.263 0.000 1 1188 139 110 LEU CD1 C 27.137 0.054 1 1189 139 110 LEU CD2 C 22.838 0.058 1 1190 139 110 LEU N N 125.493 0.020 1 1191 140 111 THR H H 9.031 0.008 1 1192 140 111 THR HA H 4.949 0.013 1 1193 140 111 THR HB H 3.933 0.009 1 1194 140 111 THR HG2 H 1.145 0.006 1 1195 140 111 THR C C 172.174 0.000 1 1196 140 111 THR CA C 61.319 0.054 1 1197 140 111 THR CB C 73.289 0.061 1 1198 140 111 THR CG2 C 22.499 0.050 1 1199 140 111 THR N N 116.367 0.022 1 1200 141 112 LEU H H 9.560 0.005 1 1201 141 112 LEU HA H 5.140 0.013 1 1202 141 112 LEU HB2 H 1.943 0.011 2 1203 141 112 LEU HB3 H 1.087 0.008 2 1204 141 112 LEU HG H 1.409 0.011 1 1205 141 112 LEU HD1 H 0.805 0.007 2 1206 141 112 LEU HD2 H 0.809 0.011 2 1207 141 112 LEU C C 174.796 0.000 1 1208 141 112 LEU CA C 53.335 0.035 1 1209 141 112 LEU CB C 45.864 0.032 1 1210 141 112 LEU CG C 26.979 0.016 1 1211 141 112 LEU CD1 C 25.568 0.050 1 1212 141 112 LEU CD2 C 23.728 0.070 1 1213 141 112 LEU N N 129.855 0.025 1 1214 142 113 LYS H H 9.156 0.005 1 1215 142 113 LYS HA H 5.372 0.011 1 1216 142 113 LYS HB2 H 1.616 0.008 2 1217 142 113 LYS HB3 H 1.675 0.010 2 1218 142 113 LYS HG2 H 0.580 0.007 2 1219 142 113 LYS HG3 H -0.036 0.006 2 1220 142 113 LYS HD2 H 1.455 0.013 2 1221 142 113 LYS HD3 H 1.455 0.013 2 1222 142 113 LYS HE2 H 2.124 0.005 2 1223 142 113 LYS HE3 H 2.124 0.005 2 1224 142 113 LYS C C 176.512 0.000 1 1225 142 113 LYS CA C 55.164 0.026 1 1226 142 113 LYS CB C 37.640 0.029 1 1227 142 113 LYS CG C 28.742 0.037 1 1228 142 113 LYS CD C 27.322 0.033 1 1229 142 113 LYS CE C 41.522 0.009 1 1230 142 113 LYS N N 126.478 0.030 1 1231 143 114 THR H H 8.340 0.007 1 1232 143 114 THR HA H 4.440 0.010 1 1233 143 114 THR HB H 4.724 0.013 1 1234 143 114 THR HG2 H 1.189 0.011 1 1235 143 114 THR C C 176.984 0.000 1 1236 143 114 THR CA C 63.417 0.041 1 1237 143 114 THR CB C 69.119 0.043 1 1238 143 114 THR CG2 C 23.799 0.035 1 1239 143 114 THR N N 109.413 0.051 1 1240 144 115 ALA H H 8.263 0.005 1 1241 144 115 ALA HA H 3.956 0.007 1 1242 144 115 ALA HB H 1.298 0.008 1 1243 144 115 ALA C C 177.610 0.000 1 1244 144 115 ALA CA C 55.406 0.027 1 1245 144 115 ALA CB C 18.048 0.056 1 1246 144 115 ALA N N 123.679 0.040 1 1247 145 116 ASP H H 7.848 0.010 1 1248 145 116 ASP HA H 4.395 0.011 1 1249 145 116 ASP HB2 H 2.999 0.008 2 1250 145 116 ASP HB3 H 2.689 0.006 2 1251 145 116 ASP C C 177.437 0.000 1 1252 145 116 ASP CA C 53.570 0.056 1 1253 145 116 ASP CB C 40.083 0.012 1 1254 145 116 ASP N N 113.872 0.049 1 1255 146 117 GLY H H 8.674 0.002 1 1256 146 117 GLY HA2 H 4.012 0.008 2 1257 146 117 GLY HA3 H 3.244 0.009 2 1258 146 117 GLY C C 174.727 0.000 1 1259 146 117 GLY CA C 45.723 0.016 1 1260 146 117 GLY N N 108.862 0.021 1 1261 147 118 LYS H H 8.100 0.003 1 1262 147 118 LYS HA H 4.013 0.004 1 1263 147 118 LYS HB2 H 1.708 0.010 2 1264 147 118 LYS HB3 H 1.705 0.013 2 1265 147 118 LYS HG2 H 1.543 0.009 2 1266 147 118 LYS HG3 H 1.541 0.008 2 1267 147 118 LYS HD2 H 1.220 0.014 2 1268 147 118 LYS HD3 H 1.176 0.003 2 1269 147 118 LYS HE2 H 2.893 0.007 2 1270 147 118 LYS HE3 H 2.893 0.007 2 1271 147 118 LYS C C 176.982 0.000 1 1272 147 118 LYS CA C 58.261 0.056 1 1273 147 118 LYS CB C 33.286 0.018 1 1274 147 118 LYS CG C 28.767 0.060 1 1275 147 118 LYS CD C 25.319 0.045 1 1276 147 118 LYS CE C 41.836 0.040 1 1277 147 118 LYS N N 118.330 0.035 1 1278 148 119 THR H H 7.219 0.007 1 1279 148 119 THR HA H 4.424 0.007 1 1280 148 119 THR HB H 4.108 0.003 1 1281 148 119 THR HG2 H 1.073 0.007 1 1282 148 119 THR C C 177.765 0.000 1 1283 148 119 THR CA C 61.641 0.041 1 1284 148 119 THR CB C 70.372 0.035 1 1285 148 119 THR CG2 C 21.443 0.054 1 1286 148 119 THR N N 113.507 0.009 1 1287 149 120 ASP H H 8.746 0.008 1 1288 149 120 ASP HA H 4.479 0.007 1 1289 149 120 ASP HB2 H 2.476 0.011 2 1290 149 120 ASP HB3 H 2.034 0.010 2 1291 149 120 ASP C C 175.173 0.000 1 1292 149 120 ASP CA C 55.229 0.024 1 1293 149 120 ASP CB C 41.360 0.043 1 1294 149 120 ASP N N 126.176 0.030 1 1295 150 121 VAL H H 9.000 0.004 1 1296 150 121 VAL HA H 3.945 0.010 1 1297 150 121 VAL HB H 1.609 0.008 1 1298 150 121 VAL HG1 H 0.809 0.009 2 1299 150 121 VAL HG2 H 0.809 0.009 2 1300 150 121 VAL C C 175.549 0.000 1 1301 150 121 VAL CA C 64.574 0.026 1 1302 150 121 VAL CB C 32.638 0.061 1 1303 150 121 VAL CG1 C 21.318 0.048 1 1304 150 121 VAL CG2 C 21.310 0.048 1 1305 150 121 VAL N N 124.478 0.027 1 1306 151 122 VAL H H 7.620 0.003 1 1307 151 122 VAL HA H 4.216 0.008 1 1308 151 122 VAL HB H 1.782 0.007 1 1309 151 122 VAL HG1 H 0.751 0.011 2 1310 151 122 VAL HG2 H 0.749 0.011 2 1311 151 122 VAL C C 174.098 0.000 1 1312 151 122 VAL CA C 61.821 0.016 1 1313 151 122 VAL CB C 34.652 0.017 1 1314 151 122 VAL CG1 C 22.069 0.040 1 1315 151 122 VAL CG2 C 21.566 0.055 1 1316 151 122 VAL N N 115.605 0.016 1 1317 152 123 LYS H H 8.978 0.006 1 1318 152 123 LYS HA H 4.552 0.008 1 1319 152 123 LYS HB2 H 1.715 0.008 2 1320 152 123 LYS HB3 H 1.455 0.007 2 1321 152 123 LYS HG2 H 1.222 0.006 2 1322 152 123 LYS HG3 H 1.181 0.008 2 1323 152 123 LYS HD2 H 1.538 0.007 2 1324 152 123 LYS HD3 H 1.538 0.007 2 1325 152 123 LYS HE2 H 2.888 0.008 2 1326 152 123 LYS HE3 H 2.888 0.008 2 1327 152 123 LYS C C 174.824 0.000 1 1328 152 123 LYS CA C 55.739 0.040 1 1329 152 123 LYS CB C 35.803 0.007 1 1330 152 123 LYS CG C 25.035 0.047 1 1331 152 123 LYS CD C 29.217 0.040 1 1332 152 123 LYS CE C 41.787 0.034 1 1333 152 123 LYS N N 128.009 0.014 1 1334 153 124 ASP H H 8.355 0.008 1 1335 153 124 ASP HA H 3.740 0.007 1 1336 153 124 ASP HB2 H 2.595 0.007 2 1337 153 124 ASP HB3 H 2.519 0.004 2 1338 153 124 ASP C C 174.212 0.000 1 1339 153 124 ASP CA C 55.450 0.019 1 1340 153 124 ASP CB C 39.387 0.039 1 1341 153 124 ASP N N 122.843 0.008 1 1342 154 125 VAL H H 9.296 0.003 1 1343 154 125 VAL HA H 3.874 0.008 1 1344 154 125 VAL HB H 1.899 0.014 1 1345 154 125 VAL HG1 H 0.771 0.011 2 1346 154 125 VAL HG2 H 0.718 0.009 2 1347 154 125 VAL C C 177.189 0.000 1 1348 154 125 VAL CA C 62.068 0.001 1 1349 154 125 VAL CB C 31.084 0.072 1 1350 154 125 VAL CG1 C 22.641 0.026 1 1351 154 125 VAL CG2 C 22.269 0.040 1 1352 154 125 VAL N N 121.232 0.024 1 1353 155 126 GLY H H 8.756 0.010 1 1354 155 126 GLY HA2 H 3.793 0.010 2 1355 155 126 GLY HA3 H 3.946 0.009 2 1356 155 126 GLY C C 177.189 0.000 1 1357 155 126 GLY CA C 44.760 0.022 1 1358 155 126 GLY N N 117.420 0.029 1 1359 156 127 PRO HA H 4.051 0.007 1 1360 156 127 PRO HB2 H 2.425 0.007 2 1361 156 127 PRO HB3 H 1.802 0.007 2 1362 156 127 PRO HG2 H 1.922 0.009 2 1363 156 127 PRO HG3 H 1.579 0.009 2 1364 156 127 PRO HD2 H 3.457 0.007 2 1365 156 127 PRO HD3 H 3.147 0.009 2 1366 156 127 PRO C C 177.632 0.000 1 1367 156 127 PRO CA C 63.807 0.052 1 1368 156 127 PRO CB C 33.034 0.026 1 1369 156 127 PRO CG C 27.487 0.039 1 1370 156 127 PRO CD C 50.094 0.041 1 1371 157 128 GLN H H 8.109 0.008 1 1372 157 128 GLN HA H 4.056 0.004 1 1373 157 128 GLN HB2 H 2.209 0.008 2 1374 157 128 GLN HB3 H 2.323 0.008 2 1375 157 128 GLN HG2 H 2.416 0.007 2 1376 157 128 GLN HG3 H 2.280 0.013 2 1377 157 128 GLN HE21 H 7.369 0.008 1 1378 157 128 GLN HE22 H 6.798 0.002 1 1379 157 128 GLN C C 174.807 0.000 1 1380 157 128 GLN CA C 56.082 0.005 1 1381 157 128 GLN CB C 25.445 0.002 1 1382 157 128 GLN CG C 33.462 0.050 1 1383 157 128 GLN CD C 180.544 0.000 1 1384 157 128 GLN N N 118.922 0.035 1 1385 157 128 GLN NE2 N 111.753 0.029 1 1386 158 129 SER H H 7.882 0.003 1 1387 158 129 SER HA H 4.950 0.012 1 1388 158 129 SER HB2 H 3.730 0.009 2 1389 158 129 SER HB3 H 3.781 0.011 2 1390 158 129 SER C C 172.202 0.000 1 1391 158 129 SER CA C 56.833 0.034 1 1392 158 129 SER CB C 65.196 0.027 1 1393 158 129 SER N N 112.567 0.012 1 1394 159 130 HIS H H 8.109 0.005 1 1395 159 130 HIS HA H 6.011 0.011 1 1396 159 130 HIS HB2 H 2.826 0.015 2 1397 159 130 HIS HB3 H 3.010 0.014 2 1398 159 130 HIS HD2 H 6.929 0.017 1 1399 159 130 HIS CA C 54.084 0.008 1 1400 159 130 HIS CB C 33.434 0.040 1 1401 159 130 HIS CD2 C 120.695 0.057 1 1402 159 130 HIS N N 116.376 0.027 1 1403 160 131 GLY H H 8.099 0.005 1 1404 160 131 GLY HA2 H 4.247 0.010 2 1405 160 131 GLY HA3 H 3.508 0.011 2 1406 160 131 GLY C C 170.847 0.000 1 1407 160 131 GLY CA C 45.610 0.046 1 1408 160 131 GLY N N 106.528 0.018 1 1409 161 132 ASP H H 8.471 0.004 1 1410 161 132 ASP HA H 5.648 0.008 1 1411 161 132 ASP HB2 H 2.519 0.012 2 1412 161 132 ASP HB3 H 2.582 0.008 2 1413 161 132 ASP C C 176.417 0.000 1 1414 161 132 ASP CA C 53.349 0.025 1 1415 161 132 ASP CB C 45.255 0.013 1 1416 161 132 ASP N N 122.191 0.037 1 1417 162 133 ARG H H 8.751 0.009 1 1418 162 133 ARG HA H 4.426 0.010 1 1419 162 133 ARG HB2 H 1.777 0.007 2 1420 162 133 ARG HB3 H 1.470 0.007 2 1421 162 133 ARG HG2 H 1.535 0.013 2 1422 162 133 ARG HG3 H 1.646 0.008 2 1423 162 133 ARG HD2 H 3.336 0.005 2 1424 162 133 ARG HD3 H 3.479 0.005 2 1425 162 133 ARG C C 174.136 0.000 1 1426 162 133 ARG CA C 55.052 0.035 1 1427 162 133 ARG CB C 34.252 0.028 1 1428 162 133 ARG CG C 26.801 0.028 1 1429 162 133 ARG CD C 42.577 0.019 1 1430 162 133 ARG N N 119.735 0.035 1 1431 163 134 GLU H H 8.717 0.009 1 1432 163 134 GLU HA H 4.961 0.010 1 1433 163 134 GLU HB2 H 2.003 0.006 2 1434 163 134 GLU HB3 H 1.870 0.006 2 1435 163 134 GLU HG2 H 2.411 0.008 2 1436 163 134 GLU HG3 H 2.170 0.010 2 1437 163 134 GLU C C 176.482 0.000 1 1438 163 134 GLU CA C 55.999 0.010 1 1439 163 134 GLU CB C 30.912 0.047 1 1440 163 134 GLU CG C 37.557 0.029 1 1441 163 134 GLU N N 128.516 0.016 1 1442 164 135 ILE H H 9.049 0.010 1 1443 164 135 ILE HA H 4.639 0.010 1 1444 164 135 ILE HB H 1.664 0.007 1 1445 164 135 ILE HG12 H 1.013 0.006 2 1446 164 135 ILE HG13 H 1.323 0.007 2 1447 164 135 ILE HG2 H 0.752 0.011 1 1448 164 135 ILE HD1 H 0.657 0.005 1 1449 164 135 ILE C C 173.799 0.000 1 1450 164 135 ILE CA C 59.578 0.000 1 1451 164 135 ILE CB C 43.196 0.012 1 1452 164 135 ILE CG1 C 26.459 0.037 1 1453 164 135 ILE CG2 C 17.083 0.061 1 1454 164 135 ILE CD1 C 13.947 0.034 1 1455 164 135 ILE N N 122.983 0.024 1 1456 165 136 ASN H H 8.182 0.009 1 1457 165 136 ASN HA H 4.862 0.007 1 1458 165 136 ASN HB2 H 2.622 0.011 2 1459 165 136 ASN HB3 H 2.741 0.010 2 1460 165 136 ASN HD21 H 7.616 0.005 1 1461 165 136 ASN HD22 H 7.146 0.007 1 1462 165 136 ASN C C 173.799 0.000 1 1463 165 136 ASN CA C 52.031 0.021 1 1464 165 136 ASN CB C 37.175 0.034 1 1465 165 136 ASN CG C 176.297 0.000 1 1466 165 136 ASN N N 122.173 0.032 1 1467 165 136 ASN ND2 N 113.592 0.035 1 1468 166 137 PRO HA H 4.089 0.010 1 1469 166 137 PRO HB2 H 1.668 0.010 2 1470 166 137 PRO HB3 H 2.106 0.009 2 1471 166 137 PRO HG2 H 2.110 0.009 2 1472 166 137 PRO HG3 H 2.110 0.009 2 1473 166 137 PRO HD2 H 3.703 0.008 2 1474 166 137 PRO HD3 H 3.703 0.008 2 1475 166 137 PRO C C 174.527 0.000 1 1476 166 137 PRO CA C 63.632 0.030 1 1477 166 137 PRO CB C 30.241 0.021 1 1478 166 137 PRO CG C 28.238 0.049 1 1479 166 137 PRO CD C 50.276 0.037 1 1480 167 138 VAL H H 7.507 0.003 1 1481 167 138 VAL HA H 4.455 0.005 1 1482 167 138 VAL HB H 2.223 0.010 1 1483 167 138 VAL HG1 H 0.734 0.011 2 1484 167 138 VAL HG2 H 0.757 0.007 2 1485 167 138 VAL C C 173.756 0.000 1 1486 167 138 VAL CA C 59.696 0.045 1 1487 167 138 VAL CB C 35.312 0.002 1 1488 167 138 VAL CG1 C 21.340 0.074 1 1489 167 138 VAL CG2 C 18.818 0.066 1 1490 167 138 VAL N N 120.539 0.037 1 1491 168 139 LYS H H 7.883 0.002 1 1492 168 139 LYS HA H 4.968 0.009 1 1493 168 139 LYS HB2 H 1.656 0.007 2 1494 168 139 LYS HB3 H 1.557 0.011 2 1495 168 139 LYS HG2 H 1.027 0.007 2 1496 168 139 LYS HG3 H 1.101 0.007 2 1497 168 139 LYS HD2 H 1.544 0.010 2 1498 168 139 LYS HD3 H 1.544 0.010 2 1499 168 139 LYS C C 176.408 0.000 1 1500 168 139 LYS CA C 55.961 0.042 1 1501 168 139 LYS CB C 32.562 0.063 1 1502 168 139 LYS CG C 24.633 0.015 1 1503 168 139 LYS CD C 29.533 0.007 1 1504 168 139 LYS CE C 41.964 0.000 1 1505 168 139 LYS N N 121.958 0.009 1 1506 169 140 VAL H H 8.752 0.005 1 1507 169 140 VAL HA H 4.657 0.006 1 1508 169 140 VAL HB H 1.817 0.007 1 1509 169 140 VAL HG1 H 0.751 0.009 2 1510 169 140 VAL HG2 H 0.780 0.008 2 1511 169 140 VAL C C 173.720 0.000 1 1512 169 140 VAL CA C 59.522 0.069 1 1513 169 140 VAL CB C 35.157 0.032 1 1514 169 140 VAL CG1 C 21.500 0.056 1 1515 169 140 VAL CG2 C 19.941 0.039 1 1516 169 140 VAL N N 121.851 0.041 1 1517 170 141 ASN H H 8.591 0.004 1 1518 170 141 ASN HA H 5.056 0.009 1 1519 170 141 ASN HB2 H 2.705 0.008 2 1520 170 141 ASN HB3 H 2.705 0.008 2 1521 170 141 ASN HD21 H 7.529 0.004 1 1522 170 141 ASN HD22 H 6.746 0.004 1 1523 170 141 ASN C C 173.845 0.000 1 1524 170 141 ASN CA C 52.711 0.014 1 1525 170 141 ASN CB C 39.362 0.039 1 1526 170 141 ASN CG C 176.787 0.000 1 1527 170 141 ASN N N 124.542 0.034 1 1528 170 141 ASN ND2 N 111.685 0.040 1 1529 171 142 LEU H H 9.118 0.006 1 1530 171 142 LEU HA H 5.119 0.013 1 1531 171 142 LEU HB2 H 1.963 0.011 2 1532 171 142 LEU HB3 H 1.719 0.010 2 1533 171 142 LEU HG H 1.568 0.009 1 1534 171 142 LEU HD1 H 0.781 0.015 2 1535 171 142 LEU HD2 H 0.972 0.007 2 1536 171 142 LEU C C 175.057 0.000 1 1537 171 142 LEU CA C 53.496 0.088 1 1538 171 142 LEU CB C 45.301 0.056 1 1539 171 142 LEU CG C 27.457 0.033 1 1540 171 142 LEU CD1 C 26.721 0.041 1 1541 171 142 LEU CD2 C 26.612 0.062 1 1542 171 142 LEU N N 125.029 0.034 1 1543 172 143 ALA H H 9.349 0.007 1 1544 172 143 ALA HA H 4.793 0.010 1 1545 172 143 ALA HB H 1.512 0.009 1 1546 172 143 ALA C C 174.246 0.000 1 1547 172 143 ALA CA C 51.782 0.018 1 1548 172 143 ALA CB C 24.257 0.064 1 1549 172 143 ALA N N 120.839 0.014 1 1550 173 144 LEU H H 8.480 0.006 1 1551 173 144 LEU HA H 5.092 0.011 1 1552 173 144 LEU HB2 H 1.089 0.009 2 1553 173 144 LEU HB3 H 1.628 0.010 2 1554 173 144 LEU HG H 1.408 0.009 1 1555 173 144 LEU HD1 H 0.688 0.009 2 1556 173 144 LEU HD2 H 0.815 0.008 2 1557 173 144 LEU C C 174.688 0.000 1 1558 173 144 LEU CA C 53.325 0.042 1 1559 173 144 LEU CB C 46.266 0.056 1 1560 173 144 LEU CG C 26.464 0.020 1 1561 173 144 LEU CD1 C 25.663 0.067 1 1562 173 144 LEU CD2 C 23.740 0.072 1 1563 173 144 LEU N N 121.462 0.024 1 1564 174 145 PHE H H 9.739 0.005 1 1565 174 145 PHE HA H 4.995 0.012 1 1566 174 145 PHE HB2 H 3.041 0.007 2 1567 174 145 PHE HB3 H 2.833 0.010 2 1568 174 145 PHE HD1 H 6.932 0.010 3 1569 174 145 PHE HD2 H 6.932 0.010 3 1570 174 145 PHE HE1 H 7.189 0.008 3 1571 174 145 PHE HE2 H 7.189 0.008 3 1572 174 145 PHE HZ H 6.908 0.009 1 1573 174 145 PHE C C 173.591 0.000 1 1574 174 145 PHE CA C 57.058 0.043 1 1575 174 145 PHE CB C 42.739 0.016 1 1576 174 145 PHE CD1 C 131.415 0.076 3 1577 174 145 PHE CE1 C 129.565 0.000 3 1578 174 145 PHE CZ C 125.034 0.000 1 1579 174 145 PHE N N 126.714 0.015 1 1580 175 146 ASP H H 8.874 0.004 1 1581 175 146 ASP HA H 4.932 0.008 1 1582 175 146 ASP HB2 H 2.688 0.009 2 1583 175 146 ASP HB3 H 2.246 0.005 2 1584 175 146 ASP C C 177.229 0.000 1 1585 175 146 ASP CA C 52.079 0.045 1 1586 175 146 ASP CB C 41.487 0.026 1 1587 175 146 ASP N N 121.534 0.037 1 1588 176 147 GLY H H 8.640 0.004 1 1589 176 147 GLY HA2 H 4.080 0.004 2 1590 176 147 GLY HA3 H 3.652 0.006 2 1591 176 147 GLY C C 177.229 0.000 1 1592 176 147 GLY CA C 46.941 0.038 1 1593 176 147 GLY N N 113.944 0.015 1 1594 177 148 SER H H 8.987 0.011 1 1595 177 148 SER HA H 4.487 0.007 1 1596 177 148 SER HB2 H 3.878 0.004 2 1597 177 148 SER HB3 H 4.010 0.005 2 1598 177 148 SER C C 174.024 0.000 1 1599 177 148 SER CA C 58.462 0.001 1 1600 177 148 SER CB C 63.744 0.018 1 1601 177 148 SER N N 121.605 0.040 1 1602 178 149 LYS H H 8.097 0.008 1 1603 178 149 LYS HA H 4.443 0.010 1 1604 178 149 LYS HB2 H 1.886 0.009 2 1605 178 149 LYS HB3 H 1.815 0.007 2 1606 178 149 LYS HG2 H 1.362 0.010 2 1607 178 149 LYS HG3 H 1.272 0.005 2 1608 178 149 LYS HD2 H 1.636 0.006 2 1609 178 149 LYS HD3 H 1.636 0.006 2 1610 178 149 LYS HE2 H 2.927 0.005 2 1611 178 149 LYS HE3 H 2.927 0.005 2 1612 178 149 LYS C C 174.600 0.000 1 1613 178 149 LYS CA C 55.026 0.028 1 1614 178 149 LYS CB C 34.065 0.035 1 1615 178 149 LYS CG C 24.495 0.069 1 1616 178 149 LYS CD C 28.971 0.015 1 1617 178 149 LYS CE C 41.800 0.031 1 1618 178 149 LYS N N 123.594 0.042 1 1619 179 150 LYS H H 8.667 0.006 1 1620 179 150 LYS HB2 H 1.020 0.005 2 1621 179 150 LYS HB3 H 1.419 0.007 2 1622 179 150 LYS HG2 H 0.415 0.008 2 1623 179 150 LYS HG3 H 0.722 0.008 2 1624 179 150 LYS HD2 H 2.784 0.009 2 1625 179 150 LYS HD3 H 2.784 0.009 2 1626 179 150 LYS C C 176.423 0.000 1 1627 179 150 LYS CA C 57.595 0.000 1 1628 179 150 LYS CB C 31.323 0.010 1 1629 179 150 LYS CG C 25.162 0.010 1 1630 179 150 LYS CD C 27.899 0.024 1 1631 179 150 LYS N N 127.762 0.052 1 1632 180 151 VAL H H 9.045 0.008 1 1633 180 151 VAL HA H 4.069 0.009 1 1634 180 151 VAL HB H 1.736 0.010 1 1635 180 151 VAL HG1 H 0.824 0.011 2 1636 180 151 VAL HG2 H 0.666 0.009 2 1637 180 151 VAL C C 176.326 0.000 1 1638 180 151 VAL CA C 62.843 0.009 1 1639 180 151 VAL CB C 33.037 0.031 1 1640 180 151 VAL CG1 C 21.633 0.045 1 1641 180 151 VAL CG2 C 20.780 0.038 1 1642 180 151 VAL N N 126.156 0.011 1 1643 181 152 SER H H 7.145 0.008 1 1644 181 152 SER HA H 4.451 0.008 1 1645 181 152 SER HB2 H 3.699 0.008 2 1646 181 152 SER HB3 H 3.406 0.008 2 1647 181 152 SER C C 174.088 0.000 1 1648 181 152 SER CA C 58.466 0.044 1 1649 181 152 SER CB C 65.579 0.036 1 1650 181 152 SER N N 110.074 0.019 1 1651 182 153 ASP H H 8.739 0.005 1 1652 182 153 ASP HA H 4.865 0.011 1 1653 182 153 ASP HB2 H 2.474 0.009 2 1654 182 153 ASP HB3 H 2.715 0.005 2 1655 182 153 ASP C C 175.750 0.000 1 1656 182 153 ASP CA C 55.572 0.022 1 1657 182 153 ASP CB C 41.388 0.042 1 1658 182 153 ASP N N 126.451 0.036 1 1659 183 154 LEU H H 8.165 0.005 1 1660 183 154 LEU HA H 4.658 0.008 1 1661 183 154 LEU HB2 H 1.883 0.008 2 1662 183 154 LEU HB3 H 1.511 0.009 2 1663 183 154 LEU HG H 1.395 0.013 1 1664 183 154 LEU HD1 H 0.515 0.009 2 1665 183 154 LEU HD2 H 0.557 0.009 2 1666 183 154 LEU C C 177.003 0.000 1 1667 183 154 LEU CA C 53.329 0.017 1 1668 183 154 LEU CB C 42.999 0.032 1 1669 183 154 LEU CG C 27.435 0.019 1 1670 183 154 LEU CD1 C 27.872 0.037 1 1671 183 154 LEU CD2 C 23.553 0.042 1 1672 183 154 LEU N N 121.465 0.048 1 1673 184 155 LYS H H 8.891 0.002 1 1674 184 155 LYS HA H 4.539 0.005 1 1675 184 155 LYS HB2 H 1.893 0.009 2 1676 184 155 LYS HB3 H 2.044 0.012 2 1677 184 155 LYS HG2 H 1.866 0.010 2 1678 184 155 LYS HG3 H 1.864 0.009 2 1679 184 155 LYS HD2 H 1.720 0.003 2 1680 184 155 LYS HD3 H 1.780 0.007 2 1681 184 155 LYS HE2 H 3.110 0.009 2 1682 184 155 LYS HE3 H 3.110 0.009 2 1683 184 155 LYS C C 177.003 0.000 1 1684 184 155 LYS CA C 55.309 0.027 1 1685 184 155 LYS CB C 32.029 0.044 1 1686 184 155 LYS CG C 29.126 0.040 1 1687 184 155 LYS CD C 25.461 0.076 1 1688 184 155 LYS CE C 41.997 0.028 1 1689 184 155 LYS N N 122.957 0.041 1 1690 185 156 PRO HA H 4.663 0.006 1 1691 185 156 PRO HB2 H 2.208 0.009 2 1692 185 156 PRO HB3 H 1.668 0.009 2 1693 185 156 PRO HG2 H 2.064 0.008 2 1694 185 156 PRO HG3 H 2.063 0.007 2 1695 185 156 PRO HD2 H 3.971 0.010 2 1696 185 156 PRO HD3 H 3.669 0.006 2 1697 185 156 PRO C C 175.460 0.000 1 1698 185 156 PRO CA C 63.348 0.030 1 1699 185 156 PRO CB C 32.208 0.041 1 1700 185 156 PRO CG C 27.697 0.020 1 1701 185 156 PRO CD C 50.750 0.032 1 1702 186 157 VAL H H 7.686 0.006 1 1703 186 157 VAL HA H 4.227 0.005 1 1704 186 157 VAL HB H 0.751 0.008 1 1705 186 157 VAL HG1 H 0.004 0.005 2 1706 186 157 VAL HG2 H -0.271 0.005 2 1707 186 157 VAL C C 172.439 0.000 1 1708 186 157 VAL CA C 59.317 0.028 1 1709 186 157 VAL CB C 35.180 0.001 1 1710 186 157 VAL CG1 C 20.593 0.056 1 1711 186 157 VAL CG2 C 19.210 0.054 1 1712 186 157 VAL N N 118.867 0.032 1 1713 187 158 THR H H 8.465 0.004 1 1714 187 158 THR HA H 4.329 0.013 1 1715 187 158 THR HB H 3.798 0.003 1 1716 187 158 THR HG2 H 0.919 0.007 1 1717 187 158 THR C C 173.294 0.000 1 1718 187 158 THR CA C 61.943 0.032 1 1719 187 158 THR CB C 68.814 0.069 1 1720 187 158 THR CG2 C 21.709 0.060 1 1721 187 158 THR N N 121.648 0.027 1 1722 188 159 LEU H H 7.650 0.007 1 1723 188 159 LEU HA H 4.331 0.008 1 1724 188 159 LEU HB2 H 1.535 0.013 2 1725 188 159 LEU HB3 H 1.234 0.013 2 1726 188 159 LEU HG H 1.418 0.009 1 1727 188 159 LEU HD1 H 0.652 0.008 2 1728 188 159 LEU HD2 H 0.489 0.007 2 1729 188 159 LEU C C 174.470 0.000 1 1730 188 159 LEU CA C 54.132 0.018 1 1731 188 159 LEU CB C 43.049 0.054 1 1732 188 159 LEU CG C 27.752 0.063 1 1733 188 159 LEU CD1 C 26.729 0.054 1 1734 188 159 LEU CD2 C 25.546 0.052 1 1735 188 159 LEU N N 127.441 0.045 1 1736 189 160 ALA H H 8.553 0.006 1 1737 189 160 ALA HA H 4.489 0.008 1 1738 189 160 ALA HB H 1.254 0.008 1 1739 189 160 ALA C C 176.788 0.000 1 1740 189 160 ALA CA C 49.772 0.039 1 1741 189 160 ALA CB C 21.146 0.043 1 1742 189 160 ALA N N 124.328 0.026 1 1743 190 161 ARG H H 8.419 0.003 1 1744 190 161 ARG HA H 3.424 0.008 1 1745 190 161 ARG HB2 H 1.760 0.006 2 1746 190 161 ARG HB3 H 1.646 0.009 2 1747 190 161 ARG HG2 H 1.564 0.011 2 1748 190 161 ARG HG3 H 1.614 0.008 2 1749 190 161 ARG HD2 H 3.230 0.005 2 1750 190 161 ARG HD3 H 3.230 0.005 2 1751 190 161 ARG C C 177.438 0.000 1 1752 190 161 ARG CA C 58.189 0.004 1 1753 190 161 ARG CB C 29.847 0.038 1 1754 190 161 ARG CG C 27.832 0.048 1 1755 190 161 ARG CD C 43.509 0.005 1 1756 190 161 ARG N N 118.848 0.024 1 1757 191 162 GLY H H 8.688 0.005 1 1758 191 162 GLY HA2 H 4.112 0.016 2 1759 191 162 GLY HA3 H 4.031 0.012 2 1760 191 162 GLY C C 173.270 0.000 1 1761 191 162 GLY CA C 46.044 0.000 1 1762 191 162 GLY N N 112.700 0.026 1 1763 192 163 GLU H H 7.869 0.003 1 1764 192 163 GLU HA H 4.442 0.008 1 1765 192 163 GLU HB2 H 2.079 0.007 2 1766 192 163 GLU HB3 H 1.825 0.006 2 1767 192 163 GLU HG2 H 2.234 0.008 2 1768 192 163 GLU HG3 H 2.080 0.008 2 1769 192 163 GLU C C 174.391 0.000 1 1770 192 163 GLU CA C 55.713 0.035 1 1771 192 163 GLU CB C 32.529 0.047 1 1772 192 163 GLU CG C 36.573 0.037 1 1773 192 163 GLU N N 120.869 0.025 1 1774 193 164 VAL H H 8.292 0.005 1 1775 193 164 VAL HA H 4.709 0.011 1 1776 193 164 VAL HB H 1.928 0.007 1 1777 193 164 VAL HG1 H 0.825 0.009 2 1778 193 164 VAL HG2 H 0.706 0.008 2 1779 193 164 VAL C C 176.908 0.000 1 1780 193 164 VAL CA C 60.440 0.028 1 1781 193 164 VAL CB C 33.438 0.007 1 1782 193 164 VAL CG1 C 22.538 0.063 1 1783 193 164 VAL CG2 C 21.216 0.041 1 1784 193 164 VAL N N 121.232 0.034 1 1785 194 165 VAL H H 8.981 0.005 1 1786 194 165 VAL HA H 4.349 0.009 1 1787 194 165 VAL HB H 1.752 0.010 1 1788 194 165 VAL HG1 H 0.849 0.009 2 1789 194 165 VAL HG2 H 0.748 0.007 2 1790 194 165 VAL C C 173.841 0.000 1 1791 194 165 VAL CA C 61.902 0.031 1 1792 194 165 VAL CB C 33.514 0.063 1 1793 194 165 VAL CG1 C 22.474 0.048 1 1794 194 165 VAL CG2 C 22.210 0.036 1 1795 194 165 VAL N N 130.453 0.017 1 1796 195 166 CYS H H 8.234 0.007 1 1797 195 166 CYS HA H 5.842 0.009 1 1798 195 166 CYS HB2 H 2.586 0.009 2 1799 195 166 CYS HB3 H 3.101 0.009 2 1800 195 166 CYS C C 173.419 0.000 1 1801 195 166 CYS CA C 55.397 0.028 1 1802 195 166 CYS CB C 30.198 0.047 1 1803 195 166 CYS N N 121.453 0.053 1 1804 196 167 LEU H H 9.906 0.003 1 1805 196 167 LEU HA H 4.581 0.010 1 1806 196 167 LEU HB2 H 0.950 0.006 2 1807 196 167 LEU HB3 H 1.629 0.010 2 1808 196 167 LEU HG H 0.348 0.007 1 1809 196 167 LEU HD1 H 0.661 0.013 2 1810 196 167 LEU HD2 H -0.653 0.006 2 1811 196 167 LEU C C 175.809 0.000 1 1812 196 167 LEU CA C 52.966 0.035 1 1813 196 167 LEU CB C 41.692 0.026 1 1814 196 167 LEU CG C 27.903 0.036 1 1815 196 167 LEU CD1 C 27.052 0.057 1 1816 196 167 LEU CD2 C 21.832 0.034 1 1817 196 167 LEU N N 127.867 0.025 1 1818 197 168 TYR H H 9.041 0.010 1 1819 197 168 TYR HA H 4.674 0.009 1 1820 197 168 TYR HB2 H 2.443 0.009 2 1821 197 168 TYR HB3 H 2.367 0.014 2 1822 197 168 TYR HD1 H 6.625 0.010 3 1823 197 168 TYR HD2 H 6.625 0.010 3 1824 197 168 TYR HE1 H 6.412 0.009 3 1825 197 168 TYR HE2 H 6.412 0.009 3 1826 197 168 TYR C C 176.104 0.000 1 1827 197 168 TYR CA C 58.509 0.058 1 1828 197 168 TYR CB C 40.972 0.030 1 1829 197 168 TYR CD2 C 131.923 0.048 3 1830 197 168 TYR CE2 C 117.033 0.029 3 1831 197 168 TYR N N 129.672 0.033 1 1832 198 169 VAL H H 8.247 0.006 1 1833 198 169 VAL HA H 4.637 0.008 1 1834 198 169 VAL HB H 2.001 0.006 1 1835 198 169 VAL HG1 H 0.673 0.008 2 1836 198 169 VAL HG2 H 0.520 0.006 2 1837 198 169 VAL C C 174.661 0.000 1 1838 198 169 VAL CA C 61.155 0.035 1 1839 198 169 VAL CB C 32.895 0.019 1 1840 198 169 VAL CG1 C 22.822 0.040 1 1841 198 169 VAL CG2 C 20.305 0.069 1 1842 198 169 VAL N N 121.515 0.026 1 1843 199 170 THR H H 7.363 0.002 1 1844 199 170 THR HA H 4.566 0.011 1 1845 199 170 THR HB H 4.404 0.009 1 1846 199 170 THR HG2 H 1.206 0.012 1 1847 199 170 THR C C 173.576 0.000 1 1848 199 170 THR CA C 58.802 0.027 1 1849 199 170 THR CB C 70.775 0.040 1 1850 199 170 THR CG2 C 22.196 0.027 1 1851 199 170 THR N N 114.726 0.019 1 1852 200 171 GLY H H 8.788 0.007 1 1853 200 171 GLY HA2 H 4.436 0.010 2 1854 200 171 GLY HA3 H 4.141 0.007 2 1855 200 171 GLY C C 173.226 0.000 1 1856 200 171 GLY CA C 44.773 0.038 1 1857 200 171 GLY N N 106.923 0.017 1 1858 201 172 SER H H 7.686 0.004 1 1859 201 172 SER HA H 4.914 0.010 1 1860 201 172 SER HB2 H 3.708 0.010 2 1861 201 172 SER HB3 H 4.517 0.011 2 1862 201 172 SER C C 173.226 0.000 1 1863 201 172 SER CA C 56.813 0.014 1 1864 201 172 SER CB C 67.539 0.022 1 1865 201 172 SER N N 113.184 0.038 1 1866 202 173 GLY HA2 H 3.812 0.007 2 1867 202 173 GLY HA3 H 4.006 0.004 2 1868 202 173 GLY C C 173.965 0.000 1 1869 202 173 GLY CA C 45.655 0.045 1 1870 203 174 GLY H H 7.650 0.001 1 1871 203 174 GLY HA2 H 3.747 0.013 2 1872 203 174 GLY HA3 H 4.044 0.013 2 1873 203 174 GLY C C 173.832 0.000 1 1874 203 174 GLY CA C 45.020 0.000 1 1875 203 174 GLY N N 106.761 0.007 1 1876 204 175 LYS H H 7.724 0.003 1 1877 204 175 LYS HA H 4.552 0.008 1 1878 204 175 LYS HB2 H 1.874 0.009 2 1879 204 175 LYS HB3 H 1.748 0.009 2 1880 204 175 LYS HG2 H 1.362 0.011 2 1881 204 175 LYS HG3 H 1.362 0.011 2 1882 204 175 LYS HD2 H 1.647 0.009 2 1883 204 175 LYS HD3 H 1.651 0.007 2 1884 204 175 LYS HE2 H 3.033 0.009 2 1885 204 175 LYS HE3 H 2.975 0.010 2 1886 204 175 LYS C C 175.516 0.000 1 1887 204 175 LYS CA C 54.710 0.030 1 1888 204 175 LYS CB C 32.997 0.002 1 1889 204 175 LYS CG C 24.617 0.073 1 1890 204 175 LYS CD C 28.929 0.053 1 1891 204 175 LYS CE C 42.151 0.041 1 1892 204 175 LYS N N 121.554 0.012 1 1893 205 176 LEU H H 8.191 0.006 1 1894 205 176 LEU HA H 4.726 0.012 1 1895 205 176 LEU HB2 H 0.903 0.009 2 1896 205 176 LEU HB3 H 1.575 0.014 2 1897 205 176 LEU HG H 1.533 0.012 1 1898 205 176 LEU HD1 H 0.726 0.010 2 1899 205 176 LEU HD2 H 0.652 0.010 2 1900 205 176 LEU C C 176.851 0.000 1 1901 205 176 LEU CA C 54.370 0.038 1 1902 205 176 LEU CB C 44.054 0.036 1 1903 205 176 LEU CG C 26.934 0.033 1 1904 205 176 LEU CD1 C 26.255 0.014 1 1905 205 176 LEU CD2 C 23.415 0.050 1 1906 205 176 LEU N N 122.967 0.035 1 1907 206 177 ALA H H 8.841 0.003 1 1908 206 177 ALA HA H 4.921 0.009 1 1909 206 177 ALA HB H 1.202 0.010 1 1910 206 177 ALA C C 176.851 0.000 1 1911 206 177 ALA CA C 49.164 0.012 1 1912 206 177 ALA CB C 19.483 0.042 1 1913 206 177 ALA N N 125.200 0.022 1 1914 207 178 PRO HA H 5.231 0.007 1 1915 207 178 PRO HB2 H 1.547 0.009 2 1916 207 178 PRO HB3 H 1.639 0.008 2 1917 207 178 PRO HG2 H 2.162 0.008 2 1918 207 178 PRO HG3 H 2.162 0.008 2 1919 207 178 PRO HD2 H 3.733 0.011 2 1920 207 178 PRO HD3 H 3.411 0.009 2 1921 207 178 PRO C C 176.022 0.000 1 1922 207 178 PRO CA C 60.178 0.042 1 1923 207 178 PRO CB C 32.141 0.050 1 1924 207 178 PRO CG C 27.081 0.025 1 1925 207 178 PRO CD C 49.828 0.035 1 1926 208 179 VAL H H 9.061 0.007 1 1927 208 179 VAL HA H 4.067 0.007 1 1928 208 179 VAL HB H 1.926 0.008 1 1929 208 179 VAL HG1 H 0.876 0.012 2 1930 208 179 VAL HG2 H 1.031 0.007 2 1931 208 179 VAL C C 175.403 0.000 1 1932 208 179 VAL CA C 61.458 0.058 1 1933 208 179 VAL CB C 37.606 0.020 1 1934 208 179 VAL CG1 C 22.406 0.049 1 1935 208 179 VAL CG2 C 21.457 0.047 1 1936 208 179 VAL N N 128.613 0.014 1 1937 209 180 TRP H H 8.534 0.003 1 1938 209 180 TRP HA H 5.285 0.007 1 1939 209 180 TRP HB2 H 3.155 0.008 2 1940 209 180 TRP HB3 H 2.803 0.007 2 1941 209 180 TRP HD1 H 7.121 0.010 1 1942 209 180 TRP HE1 H 10.105 0.003 1 1943 209 180 TRP HE3 H 7.363 0.013 1 1944 209 180 TRP HZ2 H 7.379 0.008 1 1945 209 180 TRP HZ3 H 6.633 0.010 1 1946 209 180 TRP HH2 H 6.714 0.005 1 1947 209 180 TRP C C 176.699 0.000 1 1948 209 180 TRP CA C 56.713 0.040 1 1949 209 180 TRP CB C 30.646 0.033 1 1950 209 180 TRP CD1 C 127.590 0.000 1 1951 209 180 TRP CE3 C 121.364 0.029 1 1952 209 180 TRP CZ2 C 115.198 0.002 1 1953 209 180 TRP CZ3 C 122.050 0.000 1 1954 209 180 TRP CH2 C 122.206 0.041 1 1955 209 180 TRP N N 126.012 0.022 1 1956 209 180 TRP NE1 N 127.520 0.030 1 1957 210 181 VAL H H 10.163 0.004 1 1958 210 181 VAL HA H 4.157 0.011 1 1959 210 181 VAL HB H 1.815 0.006 1 1960 210 181 VAL HG1 H 0.129 0.006 2 1961 210 181 VAL HG2 H 0.566 0.006 2 1962 210 181 VAL C C 174.905 0.000 1 1963 210 181 VAL CA C 62.663 0.034 1 1964 210 181 VAL CB C 33.641 0.054 1 1965 210 181 VAL CG1 C 21.518 0.034 1 1966 210 181 VAL CG2 C 19.245 0.049 1 1967 210 181 VAL N N 127.659 0.020 1 1968 211 182 LYS H H 8.647 0.005 1 1969 211 182 LYS HA H 4.860 0.012 1 1970 211 182 LYS HB2 H 1.683 0.005 2 1971 211 182 LYS HB3 H 1.855 0.010 2 1972 211 182 LYS HG2 H 1.402 0.009 2 1973 211 182 LYS HG3 H 1.402 0.009 2 1974 211 182 LYS HD2 H 1.546 0.009 2 1975 211 182 LYS HD3 H 1.546 0.009 2 1976 211 182 LYS HE2 H 2.844 0.007 2 1977 211 182 LYS HE3 H 2.890 0.009 2 1978 211 182 LYS C C 174.692 0.000 1 1979 211 182 LYS CA C 54.340 0.033 1 1980 211 182 LYS CB C 36.511 0.035 1 1981 211 182 LYS CG C 24.539 0.044 1 1982 211 182 LYS CD C 29.537 0.011 1 1983 211 182 LYS CE C 41.469 0.049 1 1984 211 182 LYS N N 129.212 0.021 1 1985 212 183 ARG H H 9.164 0.003 1 1986 212 183 ARG HA H 4.769 0.010 1 1987 212 183 ARG HB2 H 2.031 0.010 2 1988 212 183 ARG HB3 H 1.743 0.015 2 1989 212 183 ARG HG2 H 1.037 0.001 2 1990 212 183 ARG HG3 H 1.037 0.001 2 1991 212 183 ARG HD2 H 3.379 0.003 2 1992 212 183 ARG HD3 H 3.499 0.005 2 1993 212 183 ARG C C 174.692 0.000 1 1994 212 183 ARG CA C 54.868 0.057 1 1995 212 183 ARG CB C 30.300 0.007 1 1996 212 183 ARG CG C 20.788 0.000 1 1997 212 183 ARG CD C 44.055 0.009 1 1998 212 183 ARG N N 123.764 0.056 1 1999 213 184 PRO HA H 4.510 0.003 1 2000 213 184 PRO HB2 H 2.330 0.004 2 2001 213 184 PRO HB3 H 1.955 0.013 2 2002 213 184 PRO HG2 H 2.146 0.008 2 2003 213 184 PRO HG3 H 2.144 0.009 2 2004 213 184 PRO HD2 H 3.757 0.005 2 2005 213 184 PRO HD3 H 3.463 0.011 2 2006 213 184 PRO C C 176.277 0.000 1 2007 213 184 PRO CA C 62.799 0.053 1 2008 213 184 PRO CB C 31.769 0.025 1 2009 213 184 PRO CG C 27.875 0.010 1 2010 213 184 PRO CD C 50.110 0.018 1 2011 214 185 VAL H H 8.149 0.002 1 2012 214 185 VAL HA H 4.135 0.010 1 2013 214 185 VAL HB H 2.032 0.007 1 2014 214 185 VAL HG1 H 0.889 0.012 2 2015 214 185 VAL HG2 H 0.892 0.012 2 2016 214 185 VAL C C 176.201 0.000 1 2017 214 185 VAL CA C 61.584 0.070 1 2018 214 185 VAL CB C 33.202 0.015 1 2019 214 185 VAL CG1 C 21.427 0.005 1 2020 214 185 VAL CG2 C 20.538 0.029 1 2021 214 185 VAL N N 120.082 0.010 1 2022 215 186 LYS H H 8.423 0.008 1 2023 215 186 LYS HA H 4.273 0.004 1 2024 215 186 LYS HB2 H 1.804 0.007 2 2025 215 186 LYS HB3 H 1.746 0.010 2 2026 215 186 LYS HG2 H 1.422 0.010 2 2027 215 186 LYS HG3 H 1.422 0.010 2 2028 215 186 LYS HD2 H 1.667 0.011 2 2029 215 186 LYS HD3 H 1.667 0.011 2 2030 215 186 LYS HE2 H 2.974 0.006 2 2031 215 186 LYS HE3 H 2.974 0.006 2 2032 215 186 LYS C C 176.246 0.000 1 2033 215 186 LYS CA C 56.348 0.034 1 2034 215 186 LYS CB C 32.987 0.016 1 2035 215 186 LYS CG C 24.824 0.048 1 2036 215 186 LYS CD C 28.952 0.073 1 2037 215 186 LYS CE C 41.841 0.032 1 2038 215 186 LYS N N 125.722 0.012 1 2039 216 187 ALA H H 8.381 0.004 1 2040 216 187 ALA HA H 4.262 0.004 1 2041 216 187 ALA HB H 1.353 0.009 1 2042 216 187 ALA C C 177.369 0.000 1 2043 216 187 ALA CA C 52.590 0.021 1 2044 216 187 ALA CB C 19.407 0.000 1 2045 216 187 ALA N N 125.502 0.012 1 2046 217 188 ASP H H 8.284 0.002 1 2047 217 188 ASP HA H 4.555 0.005 1 2048 217 188 ASP HB2 H 2.617 0.008 2 2049 217 188 ASP HB3 H 2.704 0.005 2 2050 217 188 ASP C C 176.367 0.000 1 2051 217 188 ASP CA C 54.265 0.034 1 2052 217 188 ASP CB C 40.999 0.027 1 2053 217 188 ASP N N 119.376 0.030 1 2054 218 189 LEU H H 8.086 0.004 1 2055 218 189 LEU HA H 4.249 0.006 1 2056 218 189 LEU HB2 H 1.525 0.003 2 2057 218 189 LEU HB3 H 1.601 0.005 2 2058 218 189 LEU HG H 1.599 0.011 1 2059 218 189 LEU HD1 H 0.882 0.011 2 2060 218 189 LEU HD2 H 0.824 0.004 2 2061 218 189 LEU C C 177.535 0.000 1 2062 218 189 LEU CA C 55.335 0.004 1 2063 218 189 LEU CB C 42.262 0.003 1 2064 218 189 LEU CG C 27.102 0.021 1 2065 218 189 LEU CD1 C 25.233 0.008 1 2066 218 189 LEU CD2 C 23.605 0.036 1 2067 218 189 LEU N N 121.780 0.045 1 2068 219 190 GLU H H 8.218 0.002 1 2069 219 190 GLU HA H 4.128 0.010 1 2070 219 190 GLU HB2 H 1.857 0.008 2 2071 219 190 GLU HB3 H 1.857 0.008 2 2072 219 190 GLU HG2 H 2.176 0.001 2 2073 219 190 GLU HG3 H 2.095 0.008 2 2074 219 190 GLU C C 176.266 0.000 1 2075 219 190 GLU CA C 56.689 0.005 1 2076 219 190 GLU CB C 30.146 0.010 1 2077 219 190 GLU CG C 36.276 0.009 1 2078 219 190 GLU N N 120.262 0.060 1 2079 220 191 HIS H H 8.148 0.005 1 2080 220 191 HIS HA H 4.530 0.011 1 2081 220 191 HIS HB2 H 3.019 0.007 2 2082 220 191 HIS HB3 H 2.956 0.002 2 2083 220 191 HIS HD2 H 0.264 0.000 1 2084 220 191 HIS CA C 55.977 0.000 1 2085 220 191 HIS CB C 30.395 0.009 1 2086 220 191 HIS CD2 C 119.615 0.000 1 2087 220 191 HIS N N 119.284 0.025 1 2088 221 192 HIS H H 8.025 0.001 1 2089 221 192 HIS HA H 4.770 0.000 1 2090 221 192 HIS HB2 H 3.010 0.000 2 2091 221 192 HIS HB3 H 3.010 0.000 2 2092 221 192 HIS HD2 H 7.000 0.000 1 2093 221 192 HIS CA C 57.407 0.000 1 2094 221 192 HIS CB C 46.978 0.000 1 2095 221 192 HIS CD2 C 119.959 0.000 1 2096 221 192 HIS N N 125.487 0.013 1 2097 222 193 HIS H H 8.012 0.000 1 2098 222 193 HIS HA H 4.387 0.001 1 2099 222 193 HIS HB2 H 3.160 0.003 2 2100 222 193 HIS HB3 H 3.015 0.001 2 2101 222 193 HIS CA C 57.290 0.016 1 2102 222 193 HIS CB C 30.518 0.003 1 2103 222 193 HIS N N 126.000 0.000 1 stop_ save_