data_30331 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Abl 1b Regulatory Module 'inhibiting state' ; _BMRB_accession_number 30331 _BMRB_flat_file_name bmr30331.str _Entry_type original _Submission_date 2017-08-11 _Accession_date 2017-08-11 _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 Kalodimos C. G. . 2 Saleh T. . . 3 Rossi P. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 602 "13C chemical shifts" 869 "15N chemical shifts" 224 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-10-02 update BMRB 'update entry citation' 2017-09-25 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 30332 "Abl1b Regulatory Module 'Activating' conformation" stop_ _Original_release_date 2017-08-28 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Atomic view of the energy landscape in the allosteric regulation of Abl kinase ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28945248 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Saleh T. . . 2 Rossi P. . . 3 Kalodimos C. G. . stop_ _Journal_abbreviation 'Nat. Struct. Mol. Biol.' _Journal_name_full 'Nature structural & molecular biology' _Journal_volume 24 _Journal_issue 11 _Journal_ISSN 1545-9985 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 893 _Page_last 901 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Tyrosine-protein kinase ABL1 (E.C.2.7.10.2)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Tyrosine-protein kinase ABL1' _Molecular_mass 28350.389 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 255 _Mol_residue_sequence ; MGQQPGKVLGDQRRPSLPAL HFIKGAGKRESSRHGGPHCN VFVEHEALQRPVASDFEPQG LSEAARWNSKENLLAGPSEN DPNLFVALYDFVASGDNTLS ITKGEKLRVLGYNHNGEWAE AQTKNGQGWVPSNYITPVNS LEKHSWYHGPVSRNAAEYLL SSGINGSFLVRESESSPGQR SISLRYEGRVYHYRINTASD GKLYVSSESRFNTLAELVHH HSTVADGLITTLHYPAPKRN KPTVYGVSPNYDKWE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLY 3 3 GLN 4 4 GLN 5 5 PRO 6 6 GLY 7 7 LYS 8 8 VAL 9 9 LEU 10 10 GLY 11 11 ASP 12 12 GLN 13 13 ARG 14 14 ARG 15 15 PRO 16 16 SER 17 17 LEU 18 18 PRO 19 19 ALA 20 20 LEU 21 21 HIS 22 22 PHE 23 23 ILE 24 24 LYS 25 25 GLY 26 26 ALA 27 27 GLY 28 28 LYS 29 29 ARG 30 30 GLU 31 31 SER 32 32 SER 33 33 ARG 34 34 HIS 35 35 GLY 36 36 GLY 37 37 PRO 38 38 HIS 39 39 CYS 40 40 ASN 41 41 VAL 42 42 PHE 43 43 VAL 44 44 GLU 45 45 HIS 46 46 GLU 47 47 ALA 48 48 LEU 49 49 GLN 50 50 ARG 51 51 PRO 52 52 VAL 53 53 ALA 54 54 SER 55 55 ASP 56 56 PHE 57 57 GLU 58 58 PRO 59 59 GLN 60 60 GLY 61 61 LEU 62 62 SER 63 63 GLU 64 64 ALA 65 65 ALA 66 66 ARG 67 67 TRP 68 68 ASN 69 69 SER 70 70 LYS 71 71 GLU 72 72 ASN 73 73 LEU 74 74 LEU 75 75 ALA 76 76 GLY 77 77 PRO 78 78 SER 79 79 GLU 80 80 ASN 81 81 ASP 82 82 PRO 83 83 ASN 84 84 LEU 85 85 PHE 86 86 VAL 87 87 ALA 88 88 LEU 89 89 TYR 90 90 ASP 91 91 PHE 92 92 VAL 93 93 ALA 94 94 SER 95 95 GLY 96 96 ASP 97 97 ASN 98 98 THR 99 99 LEU 100 100 SER 101 101 ILE 102 102 THR 103 103 LYS 104 104 GLY 105 105 GLU 106 106 LYS 107 107 LEU 108 108 ARG 109 109 VAL 110 110 LEU 111 111 GLY 112 112 TYR 113 113 ASN 114 114 HIS 115 115 ASN 116 116 GLY 117 117 GLU 118 118 TRP 119 119 ALA 120 120 GLU 121 121 ALA 122 122 GLN 123 123 THR 124 124 LYS 125 125 ASN 126 126 GLY 127 127 GLN 128 128 GLY 129 129 TRP 130 130 VAL 131 131 PRO 132 132 SER 133 133 ASN 134 134 TYR 135 135 ILE 136 136 THR 137 137 PRO 138 138 VAL 139 139 ASN 140 140 SER 141 141 LEU 142 142 GLU 143 143 LYS 144 144 HIS 145 145 SER 146 146 TRP 147 147 TYR 148 148 HIS 149 149 GLY 150 150 PRO 151 151 VAL 152 152 SER 153 153 ARG 154 154 ASN 155 155 ALA 156 156 ALA 157 157 GLU 158 158 TYR 159 159 LEU 160 160 LEU 161 161 SER 162 162 SER 163 163 GLY 164 164 ILE 165 165 ASN 166 166 GLY 167 167 SER 168 168 PHE 169 169 LEU 170 170 VAL 171 171 ARG 172 172 GLU 173 173 SER 174 174 GLU 175 175 SER 176 176 SER 177 177 PRO 178 178 GLY 179 179 GLN 180 180 ARG 181 181 SER 182 182 ILE 183 183 SER 184 184 LEU 185 185 ARG 186 186 TYR 187 187 GLU 188 188 GLY 189 189 ARG 190 190 VAL 191 191 TYR 192 192 HIS 193 193 TYR 194 194 ARG 195 195 ILE 196 196 ASN 197 197 THR 198 198 ALA 199 199 SER 200 200 ASP 201 201 GLY 202 202 LYS 203 203 LEU 204 204 TYR 205 205 VAL 206 206 SER 207 207 SER 208 208 GLU 209 209 SER 210 210 ARG 211 211 PHE 212 212 ASN 213 213 THR 214 214 LEU 215 215 ALA 216 216 GLU 217 217 LEU 218 218 VAL 219 219 HIS 220 220 HIS 221 221 HIS 222 222 SER 223 223 THR 224 224 VAL 225 225 ALA 226 226 ASP 227 227 GLY 228 228 LEU 229 229 ILE 230 230 THR 231 231 THR 232 232 LEU 233 233 HIS 234 234 TYR 235 235 PRO 236 236 ALA 237 237 PRO 238 238 LYS 239 239 ARG 240 240 ASN 241 241 LYS 242 242 PRO 243 243 THR 244 244 VAL 245 245 TYR 246 246 GLY 247 247 VAL 248 248 SER 249 249 PRO 250 250 ASN 251 251 TYR 252 252 ASP 253 253 LYS 254 254 TRP 255 255 GLU 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 _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'ABL1, ABL, JTK7' 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 $entity_1 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.3 mM [U-99% 13C; U-99% 15N] Abl1b, 20 mM potassium phosphate, 5 mM beta-mercaptoethanol, 100 mM potassium chloride, 0.05 % sodium azide, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.3 mM '[U-99% 13C; U-99% 15N]' beta-mercaptoethanol 5 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' 'potassium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CNS _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version 3.97 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name PINE _Version . loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 850 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_CBCA(CO)NH_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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' 0.2 . M pH 7.0 . 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 '3D CBCA(CO)NH' '3D HNCACB' '2D 1H-13C HSQC aliphatic' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '2D 1H-15N HSQC' '3D HNCO' 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 entity_1 _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 1 MET HB2 H 1.970 . 2 2 1 1 MET HB3 H 2.077 . 2 3 1 1 MET HG2 H 2.465 . 2 4 1 1 MET HG3 H 2.543 . 2 5 1 1 MET HE H 2.069 . 1 6 1 1 MET CA C 55.569 . 1 7 1 1 MET CB C 32.814 . 1 8 1 1 MET CG C 31.919 . 1 9 1 1 MET CE C 16.935 . 1 10 2 2 GLY HA2 H 3.949 . 2 11 2 2 GLY HA3 H 3.949 . 2 12 2 2 GLY C C 173.850 . 1 13 2 2 GLY CA C 45.306 . 1 14 3 3 GLN H H 8.200 . 1 15 3 3 GLN HA H 4.351 . 1 16 3 3 GLN HB2 H 1.961 . 2 17 3 3 GLN HB3 H 2.074 . 2 18 3 3 GLN HG2 H 2.334 . 2 19 3 3 GLN HG3 H 2.335 . 2 20 3 3 GLN C C 175.820 . 1 21 3 3 GLN CA C 55.805 . 1 22 3 3 GLN CB C 29.464 . 1 23 3 3 GLN CG C 33.766 . 1 24 3 3 GLN N N 119.746 . 1 25 4 4 GLN H H 8.464 . 1 26 4 4 GLN HA H 4.598 . 1 27 4 4 GLN HB2 H 1.924 . 2 28 4 4 GLN HB3 H 2.086 . 2 29 4 4 GLN HG2 H 2.376 . 2 30 4 4 GLN HG3 H 2.377 . 2 31 4 4 GLN C C 173.991 . 1 32 4 4 GLN CA C 53.754 . 1 33 4 4 GLN CB C 29.018 . 1 34 4 4 GLN CG C 33.566 . 1 35 4 4 GLN N N 122.833 . 1 36 5 5 PRO HA H 4.402 . 1 37 5 5 PRO HB2 H 1.919 . 2 38 5 5 PRO HB3 H 2.265 . 2 39 5 5 PRO HG2 H 1.979 . 2 40 5 5 PRO HG3 H 2.001 . 2 41 5 5 PRO HD2 H 3.645 . 2 42 5 5 PRO HD3 H 3.744 . 2 43 5 5 PRO C C 177.410 . 1 44 5 5 PRO CA C 63.433 . 1 45 5 5 PRO CB C 32.073 . 1 46 5 5 PRO CG C 27.264 . 1 47 5 5 PRO CD C 50.623 . 1 48 6 6 GLY H H 8.420 . 1 49 6 6 GLY HA2 H 3.922 . 2 50 6 6 GLY HA3 H 3.922 . 2 51 6 6 GLY C C 173.991 . 1 52 6 6 GLY CA C 45.256 . 1 53 6 6 GLY N N 109.055 . 1 54 7 7 LYS H H 8.145 . 1 55 7 7 LYS HA H 4.352 . 1 56 7 7 LYS HB2 H 1.766 . 2 57 7 7 LYS HB3 H 1.766 . 2 58 7 7 LYS HG2 H 1.414 . 2 59 7 7 LYS HG3 H 1.414 . 2 60 7 7 LYS HD2 H 1.666 . 2 61 7 7 LYS HD3 H 1.666 . 2 62 7 7 LYS HE2 H 2.981 . 2 63 7 7 LYS HE3 H 2.981 . 2 64 7 7 LYS C C 176.273 . 1 65 7 7 LYS CA C 56.134 . 1 66 7 7 LYS CB C 33.223 . 1 67 7 7 LYS CG C 24.784 . 1 68 7 7 LYS CD C 29.120 . 1 69 7 7 LYS CE C 42.306 . 1 70 7 7 LYS N N 120.846 . 1 71 8 8 VAL H H 8.163 . 1 72 8 8 VAL HA H 4.095 . 1 73 8 8 VAL HB H 2.048 . 1 74 8 8 VAL HG1 H 0.910 . 2 75 8 8 VAL HG2 H 0.897 . 2 76 8 8 VAL C C 176.098 . 1 77 8 8 VAL CA C 62.333 . 1 78 8 8 VAL CB C 32.709 . 1 79 8 8 VAL CG1 C 20.679 . 1 80 8 8 VAL CG2 C 21.251 . 1 81 8 8 VAL N N 121.920 . 1 82 9 9 LEU H H 8.347 . 1 83 9 9 LEU HA H 4.358 . 1 84 9 9 LEU HB2 H 1.589 . 2 85 9 9 LEU HB3 H 1.631 . 2 86 9 9 LEU HG H 1.617 . 1 87 9 9 LEU HD1 H 0.890 . 2 88 9 9 LEU HD2 H 0.837 . 2 89 9 9 LEU C C 177.772 . 1 90 9 9 LEU CA C 55.283 . 1 91 9 9 LEU CB C 42.506 . 1 92 9 9 LEU CG C 26.929 . 1 93 9 9 LEU CD1 C 24.963 . 1 94 9 9 LEU CD2 C 23.512 . 1 95 9 9 LEU N N 126.358 . 1 96 10 10 GLY H H 8.307 . 1 97 10 10 GLY HA2 H 3.949 . 2 98 10 10 GLY HA3 H 3.949 . 2 99 10 10 GLY C C 173.861 . 1 100 10 10 GLY CA C 45.347 . 1 101 10 10 GLY N N 109.451 . 1 102 11 11 ASP H H 8.210 . 1 103 11 11 ASP HA H 4.580 . 1 104 11 11 ASP HB2 H 2.663 . 2 105 11 11 ASP HB3 H 2.684 . 2 106 11 11 ASP C C 176.476 . 1 107 11 11 ASP CA C 54.353 . 1 108 11 11 ASP CB C 41.312 . 1 109 11 11 ASP N N 120.414 . 1 110 12 12 GLN H H 8.338 . 1 111 12 12 GLN HA H 4.293 . 1 112 12 12 GLN HB2 H 1.977 . 2 113 12 12 GLN HB3 H 2.138 . 2 114 12 12 GLN HG2 H 2.336 . 2 115 12 12 GLN HG3 H 2.336 . 2 116 12 12 GLN C C 175.960 . 1 117 12 12 GLN CA C 55.958 . 1 118 12 12 GLN CB C 29.290 . 1 119 12 12 GLN CG C 33.917 . 1 120 12 12 GLN N N 120.642 . 1 121 13 13 ARG H H 8.269 . 1 122 13 13 ARG HA H 4.289 . 1 123 13 13 ARG HB2 H 1.786 . 2 124 13 13 ARG HB3 H 1.799 . 2 125 13 13 ARG HG2 H 1.587 . 2 126 13 13 ARG HG3 H 1.587 . 2 127 13 13 ARG HD2 H 3.147 . 2 128 13 13 ARG HD3 H 3.147 . 2 129 13 13 ARG C C 175.954 . 1 130 13 13 ARG CA C 56.122 . 1 131 13 13 ARG CB C 30.645 . 1 132 13 13 ARG CG C 27.100 . 1 133 13 13 ARG CD C 43.362 . 1 134 13 13 ARG N N 121.603 . 1 135 14 14 ARG H H 8.197 . 1 136 14 14 ARG HA H 4.360 . 1 137 14 14 ARG HB2 H 1.606 . 2 138 14 14 ARG HB3 H 1.734 . 2 139 14 14 ARG HG2 H 1.566 . 2 140 14 14 ARG HG3 H 1.566 . 2 141 14 14 ARG HD2 H 3.202 . 2 142 14 14 ARG HD3 H 3.202 . 2 143 14 14 ARG C C 173.932 . 1 144 14 14 ARG CA C 53.832 . 1 145 14 14 ARG CB C 30.318 . 1 146 14 14 ARG CG C 26.787 . 1 147 14 14 ARG CD C 43.571 . 1 148 14 14 ARG N N 122.986 . 1 149 15 15 PRO HA H 4.410 . 1 150 15 15 PRO HB2 H 1.817 . 2 151 15 15 PRO HB3 H 2.213 . 2 152 15 15 PRO HG2 H 1.777 . 2 153 15 15 PRO HG3 H 1.777 . 2 154 15 15 PRO HD2 H 3.147 . 2 155 15 15 PRO HD3 H 3.418 . 2 156 15 15 PRO C C 176.584 . 1 157 15 15 PRO CA C 62.801 . 1 158 15 15 PRO CB C 32.057 . 1 159 15 15 PRO CG C 27.130 . 1 160 15 15 PRO CD C 50.464 . 1 161 16 16 SER H H 8.401 . 1 162 16 16 SER HA H 4.392 . 1 163 16 16 SER HB2 H 3.847 . 2 164 16 16 SER HB3 H 3.847 . 2 165 16 16 SER C C 174.023 . 1 166 16 16 SER CA C 58.437 . 1 167 16 16 SER CB C 63.834 . 1 168 16 16 SER N N 116.789 . 1 169 17 17 LEU H H 8.282 . 1 170 17 17 LEU HA H 4.493 . 1 171 17 17 LEU HB2 H 1.405 . 2 172 17 17 LEU HB3 H 1.569 . 2 173 17 17 LEU HG H 1.632 . 1 174 17 17 LEU HD1 H 0.756 . 2 175 17 17 LEU HD2 H 0.845 . 2 176 17 17 LEU C C 175.140 . 1 177 17 17 LEU CA C 53.029 . 1 178 17 17 LEU CB C 42.033 . 1 179 17 17 LEU CG C 27.033 . 1 180 17 17 LEU CD1 C 23.839 . 1 181 17 17 LEU CD2 C 25.235 . 1 182 17 17 LEU N N 125.417 . 1 183 18 18 PRO HA H 4.408 . 1 184 18 18 PRO HB2 H 1.811 . 2 185 18 18 PRO HB3 H 2.230 . 2 186 18 18 PRO HG2 H 1.568 . 2 187 18 18 PRO HG3 H 1.730 . 2 188 18 18 PRO HD2 H 3.243 . 2 189 18 18 PRO HD3 H 3.657 . 2 190 18 18 PRO C C 176.228 . 1 191 18 18 PRO CA C 62.649 . 1 192 18 18 PRO CB C 32.117 . 1 193 18 18 PRO CG C 26.984 . 1 194 18 18 PRO CD C 50.365 . 1 195 19 19 ALA H H 8.278 . 1 196 19 19 ALA HA H 4.203 . 1 197 19 19 ALA HB H 1.266 . 1 198 19 19 ALA C C 178.298 . 1 199 19 19 ALA CA C 52.682 . 1 200 19 19 ALA CB C 18.962 . 1 201 19 19 ALA N N 122.932 . 1 202 20 20 LEU HA H 4.067 . 1 203 20 20 LEU HB2 H 1.333 . 2 204 20 20 LEU HB3 H 1.424 . 2 205 20 20 LEU HG H 1.460 . 1 206 20 20 LEU HD1 H 0.731 . 2 207 20 20 LEU HD2 H 0.705 . 2 208 20 20 LEU CA C 55.338 . 1 209 20 20 LEU CB C 42.065 . 1 210 20 20 LEU CG C 26.945 . 1 211 20 20 LEU CD1 C 24.778 . 1 212 20 20 LEU CD2 C 23.824 . 1 213 21 21 HIS HA H 4.431 . 1 214 21 21 HIS HB2 H 2.935 . 2 215 21 21 HIS HB3 H 2.936 . 2 216 21 21 HIS HD2 H 6.803 . 1 217 21 21 HIS C C 174.785 . 1 218 21 21 HIS CA C 56.218 . 1 219 21 21 HIS CB C 30.621 . 1 220 21 21 HIS CD2 C 119.368 . 1 221 22 22 PHE H H 7.729 . 1 222 22 22 PHE HA H 4.445 . 1 223 22 22 PHE HB2 H 2.695 . 2 224 22 22 PHE HB3 H 2.795 . 2 225 22 22 PHE HD1 H 6.872 . 1 226 22 22 PHE HD2 H 6.872 . 1 227 22 22 PHE HE1 H 6.948 . 1 228 22 22 PHE HE2 H 6.948 . 1 229 22 22 PHE HZ H 6.835 . 1 230 22 22 PHE C C 175.314 . 1 231 22 22 PHE CA C 57.501 . 1 232 22 22 PHE CB C 39.274 . 1 233 22 22 PHE CD1 C 131.247 . 1 234 22 22 PHE CD2 C 131.247 . 1 235 22 22 PHE CE1 C 131.242 . 1 236 22 22 PHE CE2 C 131.242 . 1 237 22 22 PHE CZ C 129.559 . 1 238 22 22 PHE N N 120.234 . 1 239 23 23 ILE H H 7.827 . 1 240 23 23 ILE HA H 3.959 . 1 241 23 23 ILE HB H 1.585 . 1 242 23 23 ILE HG12 H 0.770 . 2 243 23 23 ILE HG13 H 1.153 . 2 244 23 23 ILE HG2 H 0.571 . 1 245 23 23 ILE HD1 H 0.522 . 1 246 23 23 ILE C C 175.792 . 1 247 23 23 ILE CA C 60.968 . 1 248 23 23 ILE CB C 38.654 . 1 249 23 23 ILE CG1 C 27.088 . 1 250 23 23 ILE CG2 C 17.324 . 1 251 23 23 ILE CD1 C 12.761 . 1 252 23 23 ILE N N 121.545 . 1 253 24 24 LYS H H 8.164 . 1 254 24 24 LYS HA H 4.205 . 1 255 24 24 LYS HB2 H 1.742 . 2 256 24 24 LYS HB3 H 1.817 . 2 257 24 24 LYS HG2 H 1.400 . 2 258 24 24 LYS HG3 H 1.462 . 2 259 24 24 LYS HD2 H 1.677 . 2 260 24 24 LYS HD3 H 1.677 . 2 261 24 24 LYS HE2 H 2.970 . 2 262 24 24 LYS HE3 H 2.970 . 2 263 24 24 LYS C C 177.012 . 1 264 24 24 LYS CA C 56.888 . 1 265 24 24 LYS CB C 32.833 . 1 266 24 24 LYS CG C 24.951 . 1 267 24 24 LYS CD C 29.219 . 1 268 24 24 LYS CE C 42.186 . 1 269 24 24 LYS N N 125.136 . 1 270 25 25 GLY H H 8.435 . 1 271 25 25 GLY HA2 H 3.934 . 2 272 25 25 GLY HA3 H 3.934 . 2 273 25 25 GLY C C 173.772 . 1 274 25 25 GLY CA C 45.286 . 1 275 25 25 GLY N N 110.662 . 1 276 26 26 ALA H H 8.120 . 1 277 26 26 ALA HA H 4.330 . 1 278 26 26 ALA HB H 1.353 . 1 279 26 26 ALA C C 178.203 . 1 280 26 26 ALA CA C 52.591 . 1 281 26 26 ALA CB C 19.436 . 1 282 26 26 ALA N N 123.681 . 1 283 27 27 GLY H H 8.382 . 1 284 27 27 GLY HA2 H 3.931 . 2 285 27 27 GLY HA3 H 3.931 . 2 286 27 27 GLY C C 173.926 . 1 287 27 27 GLY CA C 45.240 . 1 288 27 27 GLY N N 108.047 . 1 289 28 28 LYS H H 8.040 . 1 290 28 28 LYS HA H 4.374 . 1 291 28 28 LYS HB2 H 1.732 . 2 292 28 28 LYS HB3 H 1.792 . 2 293 28 28 LYS HG2 H 1.375 . 2 294 28 28 LYS HG3 H 1.375 . 2 295 28 28 LYS HD2 H 1.663 . 2 296 28 28 LYS HD3 H 1.663 . 2 297 28 28 LYS HE2 H 2.982 . 2 298 28 28 LYS HE3 H 2.982 . 2 299 28 28 LYS C C 176.423 . 1 300 28 28 LYS CA C 56.154 . 1 301 28 28 LYS CB C 33.261 . 1 302 28 28 LYS CG C 24.756 . 1 303 28 28 LYS CD C 29.092 . 1 304 28 28 LYS CE C 42.228 . 1 305 28 28 LYS N N 120.885 . 1 306 29 29 ARG H H 8.518 . 1 307 29 29 ARG HA H 4.363 . 1 308 29 29 ARG HB2 H 1.753 . 2 309 29 29 ARG HB3 H 1.812 . 2 310 29 29 ARG HG2 H 1.534 . 2 311 29 29 ARG HG3 H 1.584 . 2 312 29 29 ARG HD2 H 3.155 . 2 313 29 29 ARG HD3 H 3.155 . 2 314 29 29 ARG C C 176.043 . 1 315 29 29 ARG CA C 56.117 . 1 316 29 29 ARG CB C 30.790 . 1 317 29 29 ARG CG C 27.002 . 1 318 29 29 ARG CD C 43.346 . 1 319 29 29 ARG N N 122.784 . 1 320 30 30 GLU H H 8.423 . 1 321 30 30 GLU HA H 4.659 . 1 322 30 30 GLU HB2 H 2.689 . 2 323 30 30 GLU HB3 H 2.729 . 2 324 30 30 GLU C C 176.530 . 1 325 30 30 GLU CA C 54.270 . 1 326 30 30 GLU CB C 30.070 . 1 327 30 30 GLU N N 121.880 . 1 328 31 31 SER H H 8.397 . 1 329 31 31 SER HA H 4.454 . 1 330 31 31 SER HB2 H 3.873 . 2 331 31 31 SER HB3 H 3.946 . 2 332 31 31 SER C C 174.897 . 1 333 31 31 SER CA C 58.805 . 1 334 31 31 SER CB C 63.812 . 1 335 31 31 SER N N 117.441 . 1 336 32 32 SER H H 8.422 . 1 337 32 32 SER HA H 4.398 . 1 338 32 32 SER HB2 H 3.890 . 2 339 32 32 SER HB3 H 3.890 . 2 340 32 32 SER C C 174.618 . 1 341 32 32 SER CA C 59.081 . 1 342 32 32 SER CB C 63.765 . 1 343 32 32 SER N N 117.910 . 1 344 33 33 ARG H H 8.127 . 1 345 33 33 ARG C C 178.287 . 1 346 33 33 ARG CA C 56.072 . 1 347 33 33 ARG N N 122.023 . 1 348 34 34 HIS H H 8.173 . 1 349 34 34 HIS HA H 4.464 . 1 350 34 34 HIS HB2 H 2.040 . 2 351 34 34 HIS HB3 H 2.040 . 2 352 34 34 HIS C C 176.563 . 1 353 34 34 HIS CA C 55.578 . 1 354 34 34 HIS CB C 32.195 . 1 355 34 34 HIS N N 121.631 . 1 356 35 35 GLY H H 8.402 . 1 357 35 35 GLY HA2 H 3.976 . 2 358 35 35 GLY HA3 H 3.976 . 2 359 35 35 GLY C C 173.850 . 1 360 35 35 GLY CA C 45.378 . 1 361 35 35 GLY N N 110.058 . 1 362 36 36 GLY H H 8.322 . 1 363 36 36 GLY HA2 H 3.996 . 2 364 36 36 GLY HA3 H 3.996 . 2 365 36 36 GLY C C 173.912 . 1 366 36 36 GLY CA C 45.315 . 1 367 36 36 GLY N N 108.704 . 1 368 50 50 ARG H H 8.327 . 1 369 50 50 ARG CA C 54.115 . 1 370 50 50 ARG CB C 30.027 . 1 371 50 50 ARG N N 121.991 . 1 372 51 51 PRO C C 177.337 . 1 373 51 51 PRO CA C 63.137 . 1 374 51 51 PRO CB C 31.880 . 1 375 52 52 VAL H H 8.174 . 1 376 52 52 VAL HG1 H 0.928 . 2 377 52 52 VAL HG2 H 0.928 . 2 378 52 52 VAL C C 176.609 . 1 379 52 52 VAL CA C 62.202 . 1 380 52 52 VAL CB C 33.288 . 1 381 52 52 VAL CG1 C 21.160 . 1 382 52 52 VAL CG2 C 20.317 . 1 383 52 52 VAL N N 120.537 . 1 384 53 53 ALA H H 8.360 . 1 385 53 53 ALA HB H 1.366 . 1 386 53 53 ALA C C 178.342 . 1 387 53 53 ALA CA C 52.684 . 1 388 53 53 ALA CB C 19.362 . 1 389 53 53 ALA N N 127.710 . 1 390 54 54 SER H H 8.222 . 1 391 54 54 SER C C 174.894 . 1 392 54 54 SER CA C 58.542 . 1 393 54 54 SER CB C 63.722 . 1 394 54 54 SER N N 115.188 . 1 395 55 55 ASP H H 8.255 . 1 396 55 55 ASP C C 176.300 . 1 397 55 55 ASP CA C 54.681 . 1 398 55 55 ASP CB C 40.969 . 1 399 55 55 ASP N N 122.056 . 1 400 56 56 PHE H H 7.964 . 1 401 56 56 PHE HA H 4.558 . 1 402 56 56 PHE HB2 H 2.950 . 2 403 56 56 PHE HB3 H 3.048 . 2 404 56 56 PHE HD1 H 7.160 . 1 405 56 56 PHE HD2 H 7.160 . 1 406 56 56 PHE HE1 H 7.267 . 1 407 56 56 PHE HE2 H 7.267 . 1 408 56 56 PHE HZ H 7.208 . 1 409 56 56 PHE C C 175.650 . 1 410 56 56 PHE CA C 57.645 . 1 411 56 56 PHE CB C 39.601 . 1 412 56 56 PHE CD1 C 131.930 . 1 413 56 56 PHE CD2 C 131.930 . 1 414 56 56 PHE CE1 C 131.227 . 1 415 56 56 PHE CE2 C 131.227 . 1 416 56 56 PHE CZ C 129.721 . 1 417 56 56 PHE N N 119.784 . 1 418 57 57 GLU H H 8.039 . 1 419 57 57 GLU CA C 54.075 . 1 420 57 57 GLU CB C 29.937 . 1 421 57 57 GLU N N 124.462 . 1 422 58 58 PRO C C 177.685 . 1 423 58 58 PRO CA C 63.395 . 1 424 58 58 PRO CB C 31.897 . 1 425 59 59 GLN H H 8.497 . 1 426 59 59 GLN C C 177.260 . 1 427 59 59 GLN CA C 55.974 . 1 428 59 59 GLN CB C 29.425 . 1 429 59 59 GLN N N 120.611 . 1 430 60 60 GLY H H 8.366 . 1 431 60 60 GLY C C 174.844 . 1 432 60 60 GLY CA C 45.528 . 1 433 60 60 GLY N N 110.014 . 1 434 61 61 LEU H H 8.088 . 1 435 61 61 LEU C C 178.340 . 1 436 61 61 LEU CA C 55.529 . 1 437 61 61 LEU CB C 42.174 . 1 438 61 61 LEU N N 122.002 . 1 439 62 62 SER H H 8.330 . 1 440 62 62 SER C C 175.604 . 1 441 62 62 SER CA C 58.633 . 1 442 62 62 SER CB C 63.694 . 1 443 62 62 SER N N 116.975 . 1 444 63 63 GLU H H 8.454 . 1 445 63 63 GLU C C 177.543 . 1 446 63 63 GLU CA C 57.501 . 1 447 63 63 GLU CB C 29.718 . 1 448 63 63 GLU N N 123.134 . 1 449 64 64 ALA H H 8.125 . 1 450 64 64 ALA HB H 1.357 . 1 451 64 64 ALA C C 178.702 . 1 452 64 64 ALA CA C 53.233 . 1 453 64 64 ALA CB C 18.831 . 1 454 64 64 ALA N N 123.485 . 1 455 65 65 ALA H H 7.972 . 1 456 65 65 ALA HB H 1.352 . 1 457 65 65 ALA C C 178.768 . 1 458 65 65 ALA CA C 52.874 . 1 459 65 65 ALA CB C 18.926 . 1 460 65 65 ALA N N 121.791 . 1 461 66 66 ARG H H 7.941 . 1 462 66 66 ARG CA C 56.706 . 1 463 66 66 ARG CB C 30.369 . 1 464 66 66 ARG N N 119.432 . 1 465 67 67 TRP H H 8.074 . 1 466 67 67 TRP HE1 H 10.074 . 1 467 67 67 TRP HZ2 H 7.028 . 1 468 67 67 TRP HH2 H 6.645 . 1 469 67 67 TRP CA C 57.970 . 1 470 67 67 TRP CB C 29.086 . 1 471 67 67 TRP CZ2 C 115.297 . 1 472 67 67 TRP CH2 C 122.739 . 1 473 67 67 TRP N N 121.566 . 1 474 67 67 TRP NE1 N 129.719 . 1 475 68 68 ASN H H 8.035 . 1 476 68 68 ASN CA C 53.259 . 1 477 68 68 ASN CB C 37.907 . 1 478 68 68 ASN N N 119.156 . 1 479 69 69 SER H H 7.955 . 1 480 69 69 SER C C 175.457 . 1 481 69 69 SER CA C 58.765 . 1 482 69 69 SER CB C 63.770 . 1 483 69 69 SER N N 116.341 . 1 484 70 70 LYS H H 8.380 . 1 485 70 70 LYS C C 175.310 . 1 486 70 70 LYS CA C 57.637 . 1 487 70 70 LYS CB C 32.026 . 1 488 70 70 LYS N N 123.139 . 1 489 71 71 GLU H H 8.652 . 1 490 71 71 GLU C C 177.042 . 1 491 71 71 GLU CA C 57.623 . 1 492 71 71 GLU CB C 29.844 . 1 493 71 71 GLU N N 122.809 . 1 494 72 72 ASN H H 8.153 . 1 495 72 72 ASN C C 176.040 . 1 496 72 72 ASN CA C 53.766 . 1 497 72 72 ASN CB C 38.968 . 1 498 72 72 ASN N N 118.602 . 1 499 73 73 LEU H H 8.107 . 1 500 73 73 LEU HD1 H 0.891 . 2 501 73 73 LEU HD2 H 0.863 . 2 502 73 73 LEU C C 177.805 . 1 503 73 73 LEU CA C 55.801 . 1 504 73 73 LEU CB C 42.246 . 1 505 73 73 LEU CD1 C 24.996 . 1 506 73 73 LEU CD2 C 23.604 . 1 507 73 73 LEU N N 121.879 . 1 508 74 74 LEU H H 8.014 . 1 509 74 74 LEU HD1 H 0.862 . 2 510 74 74 LEU HD2 H 0.817 . 2 511 74 74 LEU C C 177.439 . 1 512 74 74 LEU CA C 55.008 . 1 513 74 74 LEU CB C 41.777 . 1 514 74 74 LEU CD1 C 24.855 . 1 515 74 74 LEU CD2 C 23.352 . 1 516 74 74 LEU N N 120.990 . 1 517 75 75 ALA H H 7.888 . 1 518 75 75 ALA HB H 1.390 . 1 519 75 75 ALA C C 178.334 . 1 520 75 75 ALA CA C 52.489 . 1 521 75 75 ALA CB C 19.577 . 1 522 75 75 ALA N N 124.108 . 1 523 76 76 GLY H H 8.124 . 1 524 76 76 GLY CA C 44.568 . 1 525 76 76 GLY N N 108.352 . 1 526 77 77 PRO C C 177.843 . 1 527 77 77 PRO CA C 63.306 . 1 528 77 77 PRO CB C 31.912 . 1 529 78 78 SER H H 8.494 . 1 530 78 78 SER CA C 58.529 . 1 531 78 78 SER CB C 63.886 . 1 532 78 78 SER N N 116.796 . 1 533 79 79 GLU H H 8.432 . 1 534 79 79 GLU C C 176.690 . 1 535 79 79 GLU CA C 57.345 . 1 536 79 79 GLU CB C 29.754 . 1 537 79 79 GLU N N 122.382 . 1 538 80 80 ASN H H 8.236 . 1 539 80 80 ASN C C 175.055 . 1 540 80 80 ASN CA C 53.083 . 1 541 80 80 ASN CB C 39.139 . 1 542 80 80 ASN N N 118.181 . 1 543 81 81 ASP H H 7.837 . 1 544 81 81 ASP CA C 52.579 . 1 545 81 81 ASP CB C 41.817 . 1 546 81 81 ASP N N 122.677 . 1 547 82 82 PRO C C 177.406 . 1 548 82 82 PRO CA C 63.982 . 1 549 82 82 PRO CB C 32.002 . 1 550 83 83 ASN H H 8.693 . 1 551 83 83 ASN C C 174.743 . 1 552 83 83 ASN CA C 53.267 . 1 553 83 83 ASN CB C 38.714 . 1 554 83 83 ASN N N 117.433 . 1 555 84 84 LEU H H 7.439 . 1 556 84 84 LEU HD1 H 0.961 . 2 557 84 84 LEU HD2 H 0.880 . 2 558 84 84 LEU C C 176.567 . 1 559 84 84 LEU CA C 55.336 . 1 560 84 84 LEU CB C 43.358 . 1 561 84 84 LEU CD1 C 24.605 . 1 562 84 84 LEU CD2 C 24.462 . 1 563 84 84 LEU N N 120.849 . 1 564 85 85 PHE H H 9.601 . 1 565 85 85 PHE HA H 5.234 . 1 566 85 85 PHE HB2 H 2.622 . 2 567 85 85 PHE HB3 H 2.804 . 2 568 85 85 PHE HD1 H 6.955 . 1 569 85 85 PHE HD2 H 6.955 . 1 570 85 85 PHE HE1 H 7.340 . 1 571 85 85 PHE HE2 H 7.340 . 1 572 85 85 PHE HZ H 7.340 . 1 573 85 85 PHE C C 174.480 . 1 574 85 85 PHE CA C 56.346 . 1 575 85 85 PHE CB C 43.952 . 1 576 85 85 PHE CD1 C 131.485 . 1 577 85 85 PHE CD2 C 131.485 . 1 578 85 85 PHE CE1 C 130.882 . 1 579 85 85 PHE CE2 C 130.882 . 1 580 85 85 PHE CZ C 130.882 . 1 581 85 85 PHE N N 127.398 . 1 582 86 86 VAL H H 9.443 . 1 583 86 86 VAL HG1 H 0.745 . 2 584 86 86 VAL HG2 H 0.788 . 2 585 86 86 VAL C C 175.246 . 1 586 86 86 VAL CA C 59.043 . 1 587 86 86 VAL CB C 35.901 . 1 588 86 86 VAL CG1 C 20.123 . 1 589 86 86 VAL CG2 C 21.270 . 1 590 86 86 VAL N N 117.027 . 1 591 87 87 ALA H H 8.407 . 1 592 87 87 ALA HB H 1.541 . 1 593 87 87 ALA C C 179.375 . 1 594 87 87 ALA CA C 52.035 . 1 595 87 87 ALA CB C 19.450 . 1 596 87 87 ALA N N 126.866 . 1 597 88 88 LEU H H 9.451 . 1 598 88 88 LEU HD1 H 0.602 . 2 599 88 88 LEU HD2 H 0.555 . 2 600 88 88 LEU C C 175.609 . 1 601 88 88 LEU CA C 55.883 . 1 602 88 88 LEU CB C 43.870 . 1 603 88 88 LEU CD1 C 25.236 . 1 604 88 88 LEU CD2 C 22.772 . 1 605 88 88 LEU N N 126.964 . 1 606 89 89 TYR H H 6.995 . 1 607 89 89 TYR HA H 4.743 . 1 608 89 89 TYR HB2 H 2.146 . 2 609 89 89 TYR HB3 H 3.103 . 2 610 89 89 TYR HD1 H 6.602 . 1 611 89 89 TYR HD2 H 6.602 . 1 612 89 89 TYR HE1 H 6.608 . 1 613 89 89 TYR HE2 H 6.608 . 1 614 89 89 TYR C C 173.986 . 1 615 89 89 TYR CA C 54.152 . 1 616 89 89 TYR CB C 42.584 . 1 617 89 89 TYR CD1 C 133.956 . 1 618 89 89 TYR CD2 C 133.956 . 1 619 89 89 TYR CE1 C 117.591 . 1 620 89 89 TYR CE2 C 117.591 . 1 621 89 89 TYR N N 112.041 . 1 622 90 90 ASP H H 8.209 . 1 623 90 90 ASP C C 176.824 . 1 624 90 90 ASP CA C 54.602 . 1 625 90 90 ASP CB C 41.858 . 1 626 90 90 ASP N N 117.528 . 1 627 91 91 PHE H H 8.950 . 1 628 91 91 PHE HA H 4.999 . 1 629 91 91 PHE HB2 H 3.083 . 2 630 91 91 PHE HB3 H 3.226 . 2 631 91 91 PHE HD1 H 7.381 . 1 632 91 91 PHE HD2 H 7.381 . 1 633 91 91 PHE HE1 H 7.469 . 1 634 91 91 PHE HE2 H 7.469 . 1 635 91 91 PHE HZ H 7.548 . 1 636 91 91 PHE C C 173.974 . 1 637 91 91 PHE CA C 57.728 . 1 638 91 91 PHE CB C 41.967 . 1 639 91 91 PHE CD1 C 132.573 . 1 640 91 91 PHE CD2 C 132.573 . 1 641 91 91 PHE CE1 C 131.557 . 1 642 91 91 PHE CE2 C 131.557 . 1 643 91 91 PHE CZ C 129.615 . 1 644 91 91 PHE N N 122.459 . 1 645 92 92 VAL H H 7.889 . 1 646 92 92 VAL HG1 H 0.812 . 2 647 92 92 VAL HG2 H 0.859 . 2 648 92 92 VAL C C 174.672 . 1 649 92 92 VAL CA C 61.104 . 1 650 92 92 VAL CB C 32.776 . 1 651 92 92 VAL CG1 C 20.743 . 1 652 92 92 VAL CG2 C 20.758 . 1 653 92 92 VAL N N 129.136 . 1 654 93 93 ALA H H 8.275 . 1 655 93 93 ALA HB H 1.290 . 1 656 93 93 ALA C C 177.960 . 1 657 93 93 ALA CA C 53.223 . 1 658 93 93 ALA CB C 19.520 . 1 659 93 93 ALA N N 129.623 . 1 660 94 94 SER H H 7.950 . 1 661 94 94 SER C C 175.110 . 1 662 94 94 SER CA C 57.466 . 1 663 94 94 SER CB C 63.961 . 1 664 94 94 SER N N 115.716 . 1 665 95 95 GLY H H 8.035 . 1 666 95 95 GLY C C 174.959 . 1 667 95 95 GLY CA C 44.887 . 1 668 95 95 GLY N N 110.933 . 1 669 96 96 ASP H H 8.670 . 1 670 96 96 ASP C C 176.805 . 1 671 96 96 ASP CA C 55.893 . 1 672 96 96 ASP CB C 40.723 . 1 673 96 96 ASP N N 121.233 . 1 674 97 97 ASN H H 8.635 . 1 675 97 97 ASN C C 175.786 . 1 676 97 97 ASN CA C 54.174 . 1 677 97 97 ASN CB C 38.313 . 1 678 97 97 ASN N N 114.994 . 1 679 98 98 THR H H 7.662 . 1 680 98 98 THR C C 174.496 . 1 681 98 98 THR CA C 61.103 . 1 682 98 98 THR CB C 71.905 . 1 683 98 98 THR N N 109.251 . 1 684 99 99 LEU H H 8.222 . 1 685 99 99 LEU HD1 H 0.570 . 2 686 99 99 LEU HD2 H 0.644 . 2 687 99 99 LEU C C 174.811 . 1 688 99 99 LEU CA C 53.732 . 1 689 99 99 LEU CB C 46.061 . 1 690 99 99 LEU CD1 C 25.939 . 1 691 99 99 LEU CD2 C 23.085 . 1 692 99 99 LEU N N 125.574 . 1 693 100 100 SER H H 8.105 . 1 694 100 100 SER C C 175.063 . 1 695 100 100 SER CA C 58.809 . 1 696 100 100 SER CB C 63.598 . 1 697 100 100 SER N N 120.205 . 1 698 101 101 ILE H H 9.000 . 1 699 101 101 ILE HD1 H 0.846 . 1 700 101 101 ILE C C 175.807 . 1 701 101 101 ILE CA C 59.651 . 1 702 101 101 ILE CB C 42.590 . 1 703 101 101 ILE CD1 C 13.065 . 1 704 101 101 ILE N N 117.950 . 1 705 102 102 THR H H 9.040 . 1 706 102 102 THR C C 173.800 . 1 707 102 102 THR CA C 60.026 . 1 708 102 102 THR CB C 71.581 . 1 709 102 102 THR N N 119.223 . 1 710 103 103 LYS H H 8.892 . 1 711 103 103 LYS C C 177.824 . 1 712 103 103 LYS CA C 58.868 . 1 713 103 103 LYS CB C 32.115 . 1 714 103 103 LYS N N 124.586 . 1 715 104 104 GLY H H 8.980 . 1 716 104 104 GLY C C 174.582 . 1 717 104 104 GLY CA C 44.966 . 1 718 104 104 GLY N N 115.187 . 1 719 105 105 GLU H H 8.514 . 1 720 105 105 GLU C C 175.824 . 1 721 105 105 GLU CA C 57.204 . 1 722 105 105 GLU CB C 31.413 . 1 723 105 105 GLU N N 124.163 . 1 724 106 106 LYS H H 8.317 . 1 725 106 106 LYS C C 176.966 . 1 726 106 106 LYS CA C 55.555 . 1 727 106 106 LYS CB C 33.353 . 1 728 106 106 LYS N N 122.428 . 1 729 107 107 LEU H H 9.110 . 1 730 107 107 LEU HD1 H 0.662 . 2 731 107 107 LEU HD2 H 0.597 . 2 732 107 107 LEU C C 174.840 . 1 733 107 107 LEU CA C 54.127 . 1 734 107 107 LEU CB C 44.854 . 1 735 107 107 LEU CD1 C 27.404 . 1 736 107 107 LEU CD2 C 27.627 . 1 737 107 107 LEU N N 118.968 . 1 738 108 108 ARG H H 8.479 . 1 739 108 108 ARG C C 176.214 . 1 740 108 108 ARG CA C 54.414 . 1 741 108 108 ARG CB C 32.454 . 1 742 108 108 ARG N N 121.051 . 1 743 109 109 VAL H H 8.514 . 1 744 109 109 VAL HG1 H 0.216 . 2 745 109 109 VAL HG2 H -0.272 . 2 746 109 109 VAL C C 176.779 . 1 747 109 109 VAL CA C 62.691 . 1 748 109 109 VAL CB C 33.026 . 1 749 109 109 VAL CG1 C 20.714 . 1 750 109 109 VAL CG2 C 22.456 . 1 751 109 109 VAL N N 125.118 . 1 752 110 110 LEU H H 9.205 . 1 753 110 110 LEU HD1 H 0.507 . 2 754 110 110 LEU HD2 H 0.562 . 2 755 110 110 LEU C C 177.661 . 1 756 110 110 LEU CA C 55.197 . 1 757 110 110 LEU CB C 41.787 . 1 758 110 110 LEU CD1 C 24.767 . 1 759 110 110 LEU CD2 C 22.306 . 1 760 110 110 LEU N N 128.529 . 1 761 111 111 GLY H H 6.980 . 1 762 111 111 GLY C C 170.641 . 1 763 111 111 GLY CA C 44.625 . 1 764 111 111 GLY N N 106.131 . 1 765 112 112 TYR H H 8.627 . 1 766 112 112 TYR HA H 5.712 . 1 767 112 112 TYR HB2 H 2.922 . 2 768 112 112 TYR HB3 H 3.291 . 2 769 112 112 TYR HD1 H 7.072 . 1 770 112 112 TYR HD2 H 7.072 . 1 771 112 112 TYR HE1 H 6.699 . 1 772 112 112 TYR HE2 H 6.699 . 1 773 112 112 TYR C C 177.089 . 1 774 112 112 TYR CA C 57.507 . 1 775 112 112 TYR CB C 43.613 . 1 776 112 112 TYR CD1 C 133.221 . 1 777 112 112 TYR CD2 C 133.221 . 1 778 112 112 TYR CE1 C 118.032 . 1 779 112 112 TYR CE2 C 118.032 . 1 780 112 112 TYR N N 116.233 . 1 781 113 113 ASN H H 9.045 . 1 782 113 113 ASN CA C 52.702 . 1 783 113 113 ASN CB C 38.007 . 1 784 113 113 ASN N N 120.525 . 1 785 114 114 HIS C C 176.319 . 1 786 114 114 HIS CA C 59.699 . 1 787 115 115 ASN H H 6.613 . 1 788 115 115 ASN C C 176.860 . 1 789 115 115 ASN CA C 51.344 . 1 790 115 115 ASN N N 113.676 . 1 791 116 116 GLY H H 7.578 . 1 792 116 116 GLY C C 175.391 . 1 793 116 116 GLY CA C 46.069 . 1 794 116 116 GLY N N 107.675 . 1 795 117 117 GLU H H 8.354 . 1 796 117 117 GLU C C 177.775 . 1 797 117 117 GLU CA C 58.726 . 1 798 117 117 GLU CB C 29.920 . 1 799 117 117 GLU N N 122.563 . 1 800 118 118 TRP H H 8.359 . 1 801 118 118 TRP HD1 H 7.051 . 1 802 118 118 TRP HE1 H 9.936 . 1 803 118 118 TRP HE3 H 7.311 . 1 804 118 118 TRP HZ2 H 7.478 . 1 805 118 118 TRP HZ3 H 6.773 . 1 806 118 118 TRP HH2 H 7.295 . 1 807 118 118 TRP C C 173.626 . 1 808 118 118 TRP CA C 56.485 . 1 809 118 118 TRP CB C 32.804 . 1 810 118 118 TRP CD1 C 126.888 . 1 811 118 118 TRP CE3 C 119.931 . 1 812 118 118 TRP CZ2 C 114.682 . 1 813 118 118 TRP CZ3 C 121.033 . 1 814 118 118 TRP CH2 C 124.346 . 1 815 118 118 TRP N N 120.112 . 1 816 118 118 TRP NE1 N 130.160 . 1 817 119 119 ALA H H 9.766 . 1 818 119 119 ALA HB H 0.843 . 1 819 119 119 ALA C C 175.520 . 1 820 119 119 ALA CA C 49.788 . 1 821 119 119 ALA CB C 21.833 . 1 822 119 119 ALA N N 124.976 . 1 823 120 120 GLU H H 8.367 . 1 824 120 120 GLU C C 174.488 . 1 825 120 120 GLU CA C 55.189 . 1 826 120 120 GLU CB C 27.289 . 1 827 120 120 GLU N N 126.863 . 1 828 121 121 ALA H H 8.942 . 1 829 121 121 ALA HB H 1.065 . 1 830 121 121 ALA C C 175.828 . 1 831 121 121 ALA CA C 50.047 . 1 832 121 121 ALA CB C 24.505 . 1 833 121 121 ALA N N 130.942 . 1 834 122 122 GLN H H 8.782 . 1 835 122 122 GLN C C 176.468 . 1 836 122 122 GLN CA C 54.794 . 1 837 122 122 GLN CB C 32.502 . 1 838 122 122 GLN N N 117.589 . 1 839 123 123 THR H H 9.067 . 1 840 123 123 THR C C 176.090 . 1 841 123 123 THR CA C 59.397 . 1 842 123 123 THR CB C 72.434 . 1 843 123 123 THR N N 117.342 . 1 844 124 124 LYS H H 8.880 . 1 845 124 124 LYS C C 177.498 . 1 846 124 124 LYS CA C 58.639 . 1 847 124 124 LYS CB C 31.660 . 1 848 124 124 LYS N N 118.504 . 1 849 125 125 ASN H H 8.238 . 1 850 125 125 ASN C C 175.374 . 1 851 125 125 ASN CA C 53.542 . 1 852 125 125 ASN CB C 40.361 . 1 853 125 125 ASN N N 114.002 . 1 854 126 126 GLY H H 7.470 . 1 855 126 126 GLY C C 170.362 . 1 856 126 126 GLY CA C 45.401 . 1 857 126 126 GLY N N 108.519 . 1 858 127 127 GLN H H 8.197 . 1 859 127 127 GLN C C 175.517 . 1 860 127 127 GLN CA C 53.838 . 1 861 127 127 GLN CB C 31.801 . 1 862 127 127 GLN N N 119.850 . 1 863 128 128 GLY H H 8.719 . 1 864 128 128 GLY C C 171.167 . 1 865 128 128 GLY CA C 45.196 . 1 866 128 128 GLY N N 112.238 . 1 867 129 129 TRP H H 8.713 . 1 868 129 129 TRP HD1 H 7.410 . 1 869 129 129 TRP HE1 H 9.939 . 1 870 129 129 TRP HE3 H 7.373 . 1 871 129 129 TRP HZ2 H 7.354 . 1 872 129 129 TRP HZ3 H 6.908 . 1 873 129 129 TRP HH2 H 6.885 . 1 874 129 129 TRP C C 177.238 . 1 875 129 129 TRP CA C 57.530 . 1 876 129 129 TRP CB C 30.935 . 1 877 129 129 TRP CD1 C 128.201 . 1 878 129 129 TRP CE3 C 120.204 . 1 879 129 129 TRP CZ2 C 114.979 . 1 880 129 129 TRP CZ3 C 122.329 . 1 881 129 129 TRP CH2 C 123.635 . 1 882 129 129 TRP N N 121.279 . 1 883 129 129 TRP NE1 N 129.463 . 1 884 130 130 VAL H H 9.789 . 1 885 130 130 VAL HG1 H 0.607 . 2 886 130 130 VAL HG2 H 1.037 . 2 887 130 130 VAL CA C 57.649 . 1 888 130 130 VAL CB C 33.928 . 1 889 130 130 VAL CG1 C 19.154 . 1 890 130 130 VAL CG2 C 22.264 . 1 891 130 130 VAL N N 115.930 . 1 892 131 131 PRO C C 179.959 . 1 893 131 131 PRO CA C 62.286 . 1 894 131 131 PRO CB C 30.573 . 1 895 132 132 SER H H 8.485 . 1 896 132 132 SER C C 175.653 . 1 897 132 132 SER CA C 61.072 . 1 898 132 132 SER CB C 63.141 . 1 899 132 132 SER N N 121.654 . 1 900 133 133 ASN H H 8.381 . 1 901 133 133 ASN C C 175.987 . 1 902 133 133 ASN CA C 53.294 . 1 903 133 133 ASN CB C 36.548 . 1 904 133 133 ASN N N 114.376 . 1 905 134 134 TYR H H 7.992 . 1 906 134 134 TYR HA H 4.808 . 1 907 134 134 TYR HB2 H 3.227 . 2 908 134 134 TYR HB3 H 3.393 . 2 909 134 134 TYR HD1 H 7.040 . 1 910 134 134 TYR HD2 H 7.040 . 1 911 134 134 TYR HE1 H 6.933 . 1 912 134 134 TYR HE2 H 6.933 . 1 913 134 134 TYR C C 175.314 . 1 914 134 134 TYR CA C 58.081 . 1 915 134 134 TYR CB C 37.953 . 1 916 134 134 TYR CD1 C 131.853 . 1 917 134 134 TYR CD2 C 131.853 . 1 918 134 134 TYR CE1 C 118.454 . 1 919 134 134 TYR CE2 C 118.454 . 1 920 134 134 TYR N N 119.301 . 1 921 135 135 ILE H H 7.420 . 1 922 135 135 ILE HD1 H 0.125 . 1 923 135 135 ILE C C 173.996 . 1 924 135 135 ILE CA C 59.422 . 1 925 135 135 ILE CB C 42.248 . 1 926 135 135 ILE CD1 C 13.593 . 1 927 135 135 ILE N N 112.171 . 1 928 136 136 THR H H 8.651 . 1 929 136 136 THR CA C 59.101 . 1 930 136 136 THR CB C 72.742 . 1 931 136 136 THR N N 116.201 . 1 932 137 137 PRO C C 178.187 . 1 933 137 137 PRO CA C 63.552 . 1 934 137 137 PRO CB C 32.070 . 1 935 138 138 VAL H H 8.117 . 1 936 138 138 VAL HG1 H 0.839 . 2 937 138 138 VAL HG2 H 0.848 . 2 938 138 138 VAL C C 176.602 . 1 939 138 138 VAL CA C 64.790 . 1 940 138 138 VAL CB C 32.229 . 1 941 138 138 VAL CG1 C 21.680 . 1 942 138 138 VAL CG2 C 21.154 . 1 943 138 138 VAL N N 120.862 . 1 944 139 139 ASN H H 8.366 . 1 945 139 139 ASN C C 175.838 . 1 946 139 139 ASN CA C 52.722 . 1 947 139 139 ASN CB C 39.056 . 1 948 139 139 ASN N N 119.729 . 1 949 140 140 SER H H 7.835 . 1 950 140 140 SER C C 175.956 . 1 951 140 140 SER CA C 58.238 . 1 952 140 140 SER CB C 64.040 . 1 953 140 140 SER N N 116.582 . 1 954 141 141 LEU H H 8.383 . 1 955 141 141 LEU HD1 H 0.614 . 2 956 141 141 LEU HD2 H 0.771 . 2 957 141 141 LEU C C 178.287 . 1 958 141 141 LEU CA C 56.532 . 1 959 141 141 LEU CB C 41.091 . 1 960 141 141 LEU CD1 C 25.268 . 1 961 141 141 LEU CD2 C 23.377 . 1 962 141 141 LEU N N 123.893 . 1 963 142 142 GLU H H 8.313 . 1 964 142 142 GLU C C 176.512 . 1 965 142 142 GLU CA C 58.942 . 1 966 142 142 GLU CB C 28.843 . 1 967 142 142 GLU N N 115.928 . 1 968 143 143 LYS H H 7.079 . 1 969 143 143 LYS C C 177.517 . 1 970 143 143 LYS CA C 57.070 . 1 971 143 143 LYS CB C 31.101 . 1 972 143 143 LYS N N 115.484 . 1 973 144 144 HIS H H 7.501 . 1 974 144 144 HIS CA C 55.777 . 1 975 144 144 HIS CB C 29.293 . 1 976 144 144 HIS N N 119.964 . 1 977 145 145 SER C C 174.667 . 1 978 145 145 SER CA C 60.910 . 1 979 145 145 SER CB C 62.481 . 1 980 146 146 TRP H H 6.408 . 1 981 146 146 TRP HD1 H 7.440 . 1 982 146 146 TRP HE1 H 10.626 . 1 983 146 146 TRP HE3 H 7.407 . 1 984 146 146 TRP HZ2 H 6.624 . 1 985 146 146 TRP HZ3 H 6.864 . 1 986 146 146 TRP HH2 H 6.459 . 1 987 146 146 TRP C C 176.159 . 1 988 146 146 TRP CA C 53.891 . 1 989 146 146 TRP CB C 31.584 . 1 990 146 146 TRP CD1 C 129.405 . 1 991 146 146 TRP CE3 C 121.487 . 1 992 146 146 TRP CZ2 C 114.535 . 1 993 146 146 TRP CZ3 C 120.283 . 1 994 146 146 TRP CH2 C 123.744 . 1 995 146 146 TRP N N 111.010 . 1 996 146 146 TRP NE1 N 133.272 . 1 997 147 147 TYR H H 7.527 . 1 998 147 147 TYR HD1 H 6.912 . 1 999 147 147 TYR HD2 H 6.912 . 1 1000 147 147 TYR HE1 H 6.719 . 1 1001 147 147 TYR HE2 H 6.719 . 1 1002 147 147 TYR C C 175.308 . 1 1003 147 147 TYR CA C 58.817 . 1 1004 147 147 TYR CB C 37.733 . 1 1005 147 147 TYR CD1 C 133.490 . 1 1006 147 147 TYR CD2 C 133.490 . 1 1007 147 147 TYR CE1 C 118.077 . 1 1008 147 147 TYR CE2 C 118.077 . 1 1009 147 147 TYR N N 123.866 . 1 1010 148 148 HIS H H 8.872 . 1 1011 148 148 HIS C C 175.719 . 1 1012 148 148 HIS CA C 57.045 . 1 1013 148 148 HIS CB C 33.788 . 1 1014 148 148 HIS N N 127.184 . 1 1015 149 149 GLY H H 5.752 . 1 1016 149 149 GLY CA C 45.498 . 1 1017 149 149 GLY N N 105.627 . 1 1018 150 150 PRO C C 176.485 . 1 1019 150 150 PRO CA C 63.176 . 1 1020 150 150 PRO CB C 29.954 . 1 1021 151 151 VAL H H 8.041 . 1 1022 151 151 VAL HG1 H 1.026 . 2 1023 151 151 VAL HG2 H 0.869 . 2 1024 151 151 VAL C C 175.560 . 1 1025 151 151 VAL CA C 61.526 . 1 1026 151 151 VAL CB C 35.910 . 1 1027 151 151 VAL CG1 C 21.965 . 1 1028 151 151 VAL CG2 C 21.996 . 1 1029 151 151 VAL N N 126.864 . 1 1030 152 152 SER H H 8.599 . 1 1031 152 152 SER C C 174.882 . 1 1032 152 152 SER CA C 57.785 . 1 1033 152 152 SER CB C 65.059 . 1 1034 152 152 SER N N 122.751 . 1 1035 153 153 ARG H H 8.952 . 1 1036 153 153 ARG C C 178.794 . 1 1037 153 153 ARG CA C 60.736 . 1 1038 153 153 ARG CB C 29.908 . 1 1039 153 153 ARG N N 122.896 . 1 1040 154 154 ASN H H 8.505 . 1 1041 154 154 ASN C C 178.669 . 1 1042 154 154 ASN CA C 56.437 . 1 1043 154 154 ASN CB C 38.354 . 1 1044 154 154 ASN N N 115.539 . 1 1045 155 155 ALA H H 8.133 . 1 1046 155 155 ALA HB H 1.492 . 1 1047 155 155 ALA C C 180.895 . 1 1048 155 155 ALA CA C 55.084 . 1 1049 155 155 ALA CB C 18.306 . 1 1050 155 155 ALA N N 124.655 . 1 1051 156 156 ALA H H 8.639 . 1 1052 156 156 ALA HB H 1.468 . 1 1053 156 156 ALA C C 179.666 . 1 1054 156 156 ALA CA C 55.076 . 1 1055 156 156 ALA CB C 18.397 . 1 1056 156 156 ALA N N 121.907 . 1 1057 157 157 GLU H H 7.950 . 1 1058 157 157 GLU C C 179.566 . 1 1059 157 157 GLU CA C 60.400 . 1 1060 157 157 GLU CB C 27.868 . 1 1061 157 157 GLU N N 115.716 . 1 1062 158 158 TYR H H 7.814 . 1 1063 158 158 TYR HA H 4.316 . 1 1064 158 158 TYR HB2 H 3.165 . 2 1065 158 158 TYR HB3 H 3.195 . 2 1066 158 158 TYR HD1 H 7.107 . 1 1067 158 158 TYR HD2 H 7.109 . 1 1068 158 158 TYR HE1 H 6.795 . 1 1069 158 158 TYR HE2 H 6.795 . 1 1070 158 158 TYR C C 180.635 . 1 1071 158 158 TYR CA C 61.474 . 1 1072 158 158 TYR CB C 37.646 . 1 1073 158 158 TYR CD1 C 133.273 . 1 1074 158 158 TYR CD2 C 133.273 . 1 1075 158 158 TYR CE1 C 118.301 . 1 1076 158 158 TYR CE2 C 118.301 . 1 1077 158 158 TYR N N 120.573 . 1 1078 159 159 LEU H H 8.518 . 1 1079 159 159 LEU HD1 H 0.971 . 2 1080 159 159 LEU HD2 H 0.978 . 2 1081 159 159 LEU C C 179.530 . 1 1082 159 159 LEU CA C 58.028 . 1 1083 159 159 LEU CB C 42.010 . 1 1084 159 159 LEU CD1 C 25.682 . 1 1085 159 159 LEU CD2 C 23.547 . 1 1086 159 159 LEU N N 123.305 . 1 1087 160 160 LEU H H 7.570 . 1 1088 160 160 LEU HD1 H 0.583 . 2 1089 160 160 LEU HD2 H 0.639 . 2 1090 160 160 LEU C C 178.010 . 1 1091 160 160 LEU CA C 54.655 . 1 1092 160 160 LEU CB C 42.053 . 1 1093 160 160 LEU CD1 C 27.019 . 1 1094 160 160 LEU CD2 C 23.222 . 1 1095 160 160 LEU N N 116.469 . 1 1096 161 161 SER H H 7.548 . 1 1097 161 161 SER C C 174.803 . 1 1098 161 161 SER CA C 60.444 . 1 1099 161 161 SER CB C 62.835 . 1 1100 161 161 SER N N 117.007 . 1 1101 162 162 SER H H 7.477 . 1 1102 162 162 SER C C 174.594 . 1 1103 162 162 SER CA C 57.358 . 1 1104 162 162 SER CB C 63.858 . 1 1105 162 162 SER N N 114.507 . 1 1106 163 163 GLY H H 7.809 . 1 1107 163 163 GLY C C 173.575 . 1 1108 163 163 GLY CA C 44.154 . 1 1109 163 163 GLY N N 109.259 . 1 1110 164 164 ILE H H 8.180 . 1 1111 164 164 ILE HD1 H 0.545 . 1 1112 164 164 ILE C C 176.848 . 1 1113 164 164 ILE CA C 60.387 . 1 1114 164 164 ILE CB C 40.885 . 1 1115 164 164 ILE CD1 C 13.568 . 1 1116 164 164 ILE N N 114.194 . 1 1117 165 165 ASN H H 8.670 . 1 1118 165 165 ASN C C 177.837 . 1 1119 165 165 ASN CA C 54.532 . 1 1120 165 165 ASN CB C 37.794 . 1 1121 165 165 ASN N N 121.095 . 1 1122 166 166 GLY H H 9.320 . 1 1123 166 166 GLY C C 177.270 . 1 1124 166 166 GLY CA C 46.038 . 1 1125 166 166 GLY N N 109.420 . 1 1126 167 167 SER H H 8.769 . 1 1127 167 167 SER C C 174.765 . 1 1128 167 167 SER CA C 60.488 . 1 1129 167 167 SER CB C 63.797 . 1 1130 167 167 SER N N 122.670 . 1 1131 168 168 PHE H H 8.734 . 1 1132 168 168 PHE HA H 5.992 . 1 1133 168 168 PHE HB2 H 3.025 . 2 1134 168 168 PHE HB3 H 3.014 . 2 1135 168 168 PHE HD1 H 6.646 . 1 1136 168 168 PHE HD2 H 6.646 . 1 1137 168 168 PHE HE1 H 6.657 . 1 1138 168 168 PHE HE2 H 6.657 . 1 1139 168 168 PHE HZ H 6.724 . 1 1140 168 168 PHE C C 172.235 . 1 1141 168 168 PHE CA C 56.063 . 1 1142 168 168 PHE CB C 44.734 . 1 1143 168 168 PHE CD1 C 131.239 . 1 1144 168 168 PHE CD2 C 131.239 . 1 1145 168 168 PHE CE1 C 131.310 . 1 1146 168 168 PHE CE2 C 131.310 . 1 1147 168 168 PHE CZ C 129.757 . 1 1148 168 168 PHE N N 120.752 . 1 1149 169 169 LEU H H 9.057 . 1 1150 169 169 LEU HD1 H 0.407 . 2 1151 169 169 LEU HD2 H 0.543 . 2 1152 169 169 LEU C C 174.812 . 1 1153 169 169 LEU CA C 54.730 . 1 1154 169 169 LEU CB C 43.619 . 1 1155 169 169 LEU CD1 C 27.700 . 1 1156 169 169 LEU CD2 C 25.794 . 1 1157 169 169 LEU N N 114.651 . 1 1158 170 170 VAL H H 9.202 . 1 1159 170 170 VAL HG1 H 1.259 . 2 1160 170 170 VAL HG2 H 1.155 . 2 1161 170 170 VAL C C 173.859 . 1 1162 170 170 VAL CA C 61.502 . 1 1163 170 170 VAL CB C 33.826 . 1 1164 170 170 VAL CG1 C 21.902 . 1 1165 170 170 VAL CG2 C 22.316 . 1 1166 170 170 VAL N N 121.161 . 1 1167 171 171 ARG H H 9.208 . 1 1168 171 171 ARG C C 174.872 . 1 1169 171 171 ARG CA C 52.388 . 1 1170 171 171 ARG CB C 34.204 . 1 1171 171 171 ARG N N 123.194 . 1 1172 172 172 GLU H H 8.024 . 1 1173 172 172 GLU C C 176.268 . 1 1174 172 172 GLU CA C 54.851 . 1 1175 172 172 GLU CB C 30.768 . 1 1176 172 172 GLU N N 120.997 . 1 1177 173 173 SER H H 8.311 . 1 1178 173 173 SER C C 176.494 . 1 1179 173 173 SER CA C 58.159 . 1 1180 173 173 SER CB C 63.421 . 1 1181 173 173 SER N N 117.652 . 1 1182 174 174 GLU H H 9.209 . 1 1183 174 174 GLU CA C 58.124 . 1 1184 174 174 GLU CB C 30.328 . 1 1185 174 174 GLU N N 127.422 . 1 1186 175 175 SER H H 8.344 . 1 1187 175 175 SER CA C 59.615 . 1 1188 175 175 SER CB C 63.775 . 1 1189 175 175 SER N N 114.056 . 1 1190 176 176 SER H H 7.714 . 1 1191 176 176 SER CA C 54.940 . 1 1192 176 176 SER CB C 63.499 . 1 1193 176 176 SER N N 118.588 . 1 1194 177 177 PRO CA C 64.059 . 1 1195 177 177 PRO CB C 31.490 . 1 1196 178 178 GLY H H 9.248 . 1 1197 178 178 GLY CA C 45.194 . 1 1198 178 178 GLY N N 112.844 . 1 1199 179 179 GLN H H 8.119 . 1 1200 179 179 GLN CA C 54.792 . 1 1201 179 179 GLN CB C 29.296 . 1 1202 179 179 GLN N N 120.623 . 1 1203 180 180 ARG H H 9.170 . 1 1204 180 180 ARG CA C 55.457 . 1 1205 180 180 ARG CB C 34.073 . 1 1206 180 180 ARG N N 124.660 . 1 1207 181 181 SER H H 9.104 . 1 1208 181 181 SER CA C 57.898 . 1 1209 181 181 SER CB C 67.061 . 1 1210 181 181 SER N N 115.022 . 1 1211 182 182 ILE H H 9.493 . 1 1212 182 182 ILE HD1 H 0.507 . 1 1213 182 182 ILE CA C 60.684 . 1 1214 182 182 ILE CB C 41.500 . 1 1215 182 182 ILE CD1 C 13.672 . 1 1216 182 182 ILE N N 122.818 . 1 1217 183 183 SER H H 9.091 . 1 1218 183 183 SER CA C 58.826 . 1 1219 183 183 SER CB C 65.181 . 1 1220 183 183 SER N N 124.230 . 1 1221 184 184 LEU H H 9.346 . 1 1222 184 184 LEU HD1 H 0.877 . 2 1223 184 184 LEU HD2 H 0.760 . 2 1224 184 184 LEU C C 174.368 . 1 1225 184 184 LEU CA C 54.048 . 1 1226 184 184 LEU CB C 48.040 . 1 1227 184 184 LEU CD1 C 24.432 . 1 1228 184 184 LEU CD2 C 27.994 . 1 1229 184 184 LEU N N 126.942 . 1 1230 185 185 ARG H H 9.200 . 1 1231 185 185 ARG C C 175.392 . 1 1232 185 185 ARG CA C 54.849 . 1 1233 185 185 ARG CB C 32.772 . 1 1234 185 185 ARG N N 127.383 . 1 1235 186 186 TYR H H 9.472 . 1 1236 186 186 TYR HA H 4.694 . 1 1237 186 186 TYR HB2 H 2.745 . 2 1238 186 186 TYR HB3 H 2.875 . 2 1239 186 186 TYR HD1 H 6.941 . 1 1240 186 186 TYR HD2 H 6.941 . 1 1241 186 186 TYR HE1 H 6.837 . 1 1242 186 186 TYR HE2 H 6.837 . 1 1243 186 186 TYR C C 174.839 . 1 1244 186 186 TYR CA C 59.567 . 1 1245 186 186 TYR CB C 41.282 . 1 1246 186 186 TYR CD1 C 132.539 . 1 1247 186 186 TYR CD2 C 132.539 . 1 1248 186 186 TYR CE1 C 118.776 . 1 1249 186 186 TYR CE2 C 118.776 . 1 1250 186 186 TYR N N 125.942 . 1 1251 187 187 GLU H H 9.337 . 1 1252 187 187 GLU C C 177.112 . 1 1253 187 187 GLU CA C 56.224 . 1 1254 187 187 GLU CB C 27.570 . 1 1255 187 187 GLU N N 128.801 . 1 1256 188 188 GLY H H 8.388 . 1 1257 188 188 GLY C C 173.755 . 1 1258 188 188 GLY CA C 45.633 . 1 1259 188 188 GLY N N 103.082 . 1 1260 189 189 ARG H H 7.803 . 1 1261 189 189 ARG C C 174.146 . 1 1262 189 189 ARG CA C 54.216 . 1 1263 189 189 ARG CB C 33.454 . 1 1264 189 189 ARG N N 120.665 . 1 1265 190 190 VAL H H 8.233 . 1 1266 190 190 VAL HG1 H 0.345 . 2 1267 190 190 VAL HG2 H 0.782 . 2 1268 190 190 VAL C C 174.644 . 1 1269 190 190 VAL CA C 61.404 . 1 1270 190 190 VAL CB C 33.028 . 1 1271 190 190 VAL CG1 C 22.492 . 1 1272 190 190 VAL CG2 C 22.986 . 1 1273 190 190 VAL N N 120.885 . 1 1274 191 191 TYR H H 9.394 . 1 1275 191 191 TYR HA H 4.237 . 1 1276 191 191 TYR HB2 H 2.718 . 2 1277 191 191 TYR HB3 H 2.718 . 2 1278 191 191 TYR HD1 H 7.137 . 1 1279 191 191 TYR HD2 H 7.137 . 1 1280 191 191 TYR HE1 H 7.020 . 1 1281 191 191 TYR HE2 H 7.020 . 1 1282 191 191 TYR C C 174.386 . 1 1283 191 191 TYR CA C 57.112 . 1 1284 191 191 TYR CB C 41.667 . 1 1285 191 191 TYR CD1 C 133.537 . 1 1286 191 191 TYR CD2 C 133.537 . 1 1287 191 191 TYR CE1 C 117.887 . 1 1288 191 191 TYR CE2 C 117.887 . 1 1289 191 191 TYR N N 129.124 . 1 1290 192 192 HIS H H 8.316 . 1 1291 192 192 HIS C C 176.085 . 1 1292 192 192 HIS CA C 54.589 . 1 1293 192 192 HIS CB C 33.419 . 1 1294 192 192 HIS N N 120.297 . 1 1295 193 193 TYR H H 9.696 . 1 1296 193 193 TYR HA H 4.756 . 1 1297 193 193 TYR HB2 H 2.590 . 2 1298 193 193 TYR HB3 H 2.834 . 2 1299 193 193 TYR HD1 H 6.964 . 1 1300 193 193 TYR HD2 H 6.964 . 1 1301 193 193 TYR HE1 H 6.735 . 1 1302 193 193 TYR HE2 H 6.735 . 1 1303 193 193 TYR C C 175.700 . 1 1304 193 193 TYR CA C 56.567 . 1 1305 193 193 TYR CB C 41.331 . 1 1306 193 193 TYR CD1 C 133.556 . 1 1307 193 193 TYR CD2 C 133.556 . 1 1308 193 193 TYR CE1 C 118.901 . 1 1309 193 193 TYR CE2 C 118.901 . 1 1310 193 193 TYR N N 122.100 . 1 1311 194 194 ARG H H 8.737 . 1 1312 194 194 ARG C C 176.291 . 1 1313 194 194 ARG CA C 56.439 . 1 1314 194 194 ARG CB C 30.023 . 1 1315 194 194 ARG N N 125.522 . 1 1316 195 195 ILE H H 8.438 . 1 1317 195 195 ILE HD1 H 0.710 . 1 1318 195 195 ILE C C 176.230 . 1 1319 195 195 ILE CA C 61.629 . 1 1320 195 195 ILE CB C 37.255 . 1 1321 195 195 ILE CD1 C 14.169 . 1 1322 195 195 ILE N N 123.819 . 1 1323 196 196 ASN H H 8.689 . 1 1324 196 196 ASN C C 173.677 . 1 1325 196 196 ASN CA C 52.931 . 1 1326 196 196 ASN CB C 40.349 . 1 1327 196 196 ASN N N 128.372 . 1 1328 197 197 THR H H 8.307 . 1 1329 197 197 THR C C 175.785 . 1 1330 197 197 THR CA C 61.203 . 1 1331 197 197 THR CB C 69.875 . 1 1332 197 197 THR N N 114.133 . 1 1333 198 198 ALA H H 9.672 . 1 1334 198 198 ALA HB H 1.703 . 1 1335 198 198 ALA CA C 51.198 . 1 1336 198 198 ALA CB C 21.390 . 1 1337 198 198 ALA N N 129.680 . 1 1338 199 199 SER C C 175.294 . 1 1339 199 199 SER CA C 61.690 . 1 1340 199 199 SER CB C 62.804 . 1 1341 200 200 ASP H H 7.829 . 1 1342 200 200 ASP C C 177.717 . 1 1343 200 200 ASP CA C 52.901 . 1 1344 200 200 ASP CB C 40.182 . 1 1345 200 200 ASP N N 118.307 . 1 1346 201 201 GLY H H 8.146 . 1 1347 201 201 GLY C C 175.111 . 1 1348 201 201 GLY CA C 45.087 . 1 1349 201 201 GLY N N 108.421 . 1 1350 202 202 LYS H H 7.535 . 1 1351 202 202 LYS C C 175.472 . 1 1352 202 202 LYS CA C 57.817 . 1 1353 202 202 LYS CB C 33.791 . 1 1354 202 202 LYS N N 119.450 . 1 1355 203 203 LEU H H 9.193 . 1 1356 203 203 LEU HD1 H 0.875 . 2 1357 203 203 LEU HD2 H 0.823 . 2 1358 203 203 LEU C C 178.744 . 1 1359 203 203 LEU CA C 53.761 . 1 1360 203 203 LEU CB C 45.541 . 1 1361 203 203 LEU CD1 C 24.220 . 1 1362 203 203 LEU CD2 C 25.807 . 1 1363 203 203 LEU N N 119.963 . 1 1364 204 204 TYR H H 8.728 . 1 1365 204 204 TYR HA H 5.140 . 1 1366 204 204 TYR HB2 H 3.098 . 2 1367 204 204 TYR HB3 H 3.184 . 2 1368 204 204 TYR HD1 H 6.540 . 1 1369 204 204 TYR HD2 H 6.540 . 1 1370 204 204 TYR HE1 H 6.541 . 1 1371 204 204 TYR HE2 H 6.541 . 1 1372 204 204 TYR C C 174.002 . 1 1373 204 204 TYR CA C 58.046 . 1 1374 204 204 TYR CB C 40.892 . 1 1375 204 204 TYR CD1 C 133.762 . 1 1376 204 204 TYR CD2 C 133.762 . 1 1377 204 204 TYR CE1 C 117.496 . 1 1378 204 204 TYR CE2 C 117.496 . 1 1379 204 204 TYR N N 114.764 . 1 1380 205 205 VAL H H 10.169 . 1 1381 205 205 VAL HG1 H 0.771 . 2 1382 205 205 VAL HG2 H 0.614 . 2 1383 205 205 VAL C C 177.051 . 1 1384 205 205 VAL CA C 64.386 . 1 1385 205 205 VAL CB C 33.450 . 1 1386 205 205 VAL CG1 C 21.201 . 1 1387 205 205 VAL CG2 C 21.489 . 1 1388 205 205 VAL N N 121.615 . 1 1389 206 206 SER H H 9.199 . 1 1390 206 206 SER C C 176.098 . 1 1391 206 206 SER CA C 57.065 . 1 1392 206 206 SER CB C 64.390 . 1 1393 206 206 SER N N 117.856 . 1 1394 207 207 SER H H 8.806 . 1 1395 207 207 SER C C 175.352 . 1 1396 207 207 SER CA C 60.933 . 1 1397 207 207 SER CB C 63.430 . 1 1398 207 207 SER N N 120.243 . 1 1399 208 208 GLU H H 8.422 . 1 1400 208 208 GLU C C 177.276 . 1 1401 208 208 GLU CA C 57.190 . 1 1402 208 208 GLU CB C 29.532 . 1 1403 208 208 GLU N N 116.949 . 1 1404 209 209 SER H H 7.803 . 1 1405 209 209 SER C C 171.332 . 1 1406 209 209 SER CA C 56.704 . 1 1407 209 209 SER CB C 63.516 . 1 1408 209 209 SER N N 118.780 . 1 1409 210 210 ARG H H 7.601 . 1 1410 210 210 ARG C C 176.515 . 1 1411 210 210 ARG CA C 53.373 . 1 1412 210 210 ARG CB C 32.599 . 1 1413 210 210 ARG N N 120.263 . 1 1414 211 211 PHE H H 9.166 . 1 1415 211 211 PHE HA H 4.855 . 1 1416 211 211 PHE HB2 H 2.555 . 2 1417 211 211 PHE HB3 H 3.427 . 2 1418 211 211 PHE HD1 H 7.225 . 1 1419 211 211 PHE HD2 H 7.225 . 1 1420 211 211 PHE HE1 H 6.970 . 1 1421 211 211 PHE HE2 H 6.970 . 1 1422 211 211 PHE HZ H 6.042 . 1 1423 211 211 PHE C C 175.855 . 1 1424 211 211 PHE CA C 57.863 . 1 1425 211 211 PHE CB C 44.686 . 1 1426 211 211 PHE CD1 C 132.129 . 1 1427 211 211 PHE CD2 C 132.129 . 1 1428 211 211 PHE CE1 C 131.105 . 1 1429 211 211 PHE CE2 C 131.105 . 1 1430 211 211 PHE CZ C 129.104 . 1 1431 211 211 PHE N N 118.220 . 1 1432 212 212 ASN H H 9.579 . 1 1433 212 212 ASN C C 176.771 . 1 1434 212 212 ASN CA C 56.034 . 1 1435 212 212 ASN CB C 39.431 . 1 1436 212 212 ASN N N 118.843 . 1 1437 213 213 THR H H 7.420 . 1 1438 213 213 THR C C 175.112 . 1 1439 213 213 THR CA C 59.111 . 1 1440 213 213 THR CB C 73.361 . 1 1441 213 213 THR N N 105.052 . 1 1442 214 214 LEU H H 9.148 . 1 1443 214 214 LEU HD1 H 1.033 . 2 1444 214 214 LEU HD2 H 1.096 . 2 1445 214 214 LEU C C 178.851 . 1 1446 214 214 LEU CA C 57.440 . 1 1447 214 214 LEU CB C 41.696 . 1 1448 214 214 LEU CD1 C 24.989 . 1 1449 214 214 LEU CD2 C 26.384 . 1 1450 214 214 LEU N N 123.819 . 1 1451 215 215 ALA H H 8.925 . 1 1452 215 215 ALA HB H 1.514 . 1 1453 215 215 ALA C C 180.798 . 1 1454 215 215 ALA CA C 55.631 . 1 1455 215 215 ALA CB C 17.889 . 1 1456 215 215 ALA N N 120.154 . 1 1457 216 216 GLU H H 7.626 . 1 1458 216 216 GLU C C 178.847 . 1 1459 216 216 GLU CA C 59.202 . 1 1460 216 216 GLU CB C 31.012 . 1 1461 216 216 GLU N N 117.366 . 1 1462 217 217 LEU H H 7.283 . 1 1463 217 217 LEU HD1 H 1.166 . 2 1464 217 217 LEU HD2 H 0.703 . 2 1465 217 217 LEU C C 178.629 . 1 1466 217 217 LEU CA C 58.931 . 1 1467 217 217 LEU CB C 42.092 . 1 1468 217 217 LEU CD1 C 27.924 . 1 1469 217 217 LEU CD2 C 25.258 . 1 1470 217 217 LEU N N 123.683 . 1 1471 218 218 VAL H H 8.189 . 1 1472 218 218 VAL HG1 H -0.098 . 2 1473 218 218 VAL HG2 H -0.185 . 2 1474 218 218 VAL C C 178.125 . 1 1475 218 218 VAL CA C 66.523 . 1 1476 218 218 VAL CB C 31.996 . 1 1477 218 218 VAL CG1 C 19.956 . 1 1478 218 218 VAL CG2 C 21.773 . 1 1479 218 218 VAL N N 120.138 . 1 1480 219 219 HIS H H 8.044 . 1 1481 219 219 HIS C C 179.795 . 1 1482 219 219 HIS CA C 60.103 . 1 1483 219 219 HIS CB C 29.892 . 1 1484 219 219 HIS N N 118.447 . 1 1485 220 220 HIS H H 7.995 . 1 1486 220 220 HIS C C 178.241 . 1 1487 220 220 HIS CA C 60.297 . 1 1488 220 220 HIS CB C 30.477 . 1 1489 220 220 HIS N N 120.452 . 1 1490 221 221 HIS H H 7.771 . 1 1491 221 221 HIS C C 175.586 . 1 1492 221 221 HIS CA C 57.648 . 1 1493 221 221 HIS CB C 27.809 . 1 1494 221 221 HIS N N 115.953 . 1 1495 222 222 SER H H 7.615 . 1 1496 222 222 SER C C 174.857 . 1 1497 222 222 SER CA C 59.928 . 1 1498 222 222 SER CB C 63.376 . 1 1499 222 222 SER N N 115.765 . 1 1500 223 223 THR H H 7.345 . 1 1501 223 223 THR C C 174.651 . 1 1502 223 223 THR CA C 63.353 . 1 1503 223 223 THR CB C 70.055 . 1 1504 223 223 THR N N 114.280 . 1 1505 224 224 VAL H H 7.595 . 1 1506 224 224 VAL HG1 H 0.598 . 2 1507 224 224 VAL HG2 H 0.509 . 2 1508 224 224 VAL C C 173.636 . 1 1509 224 224 VAL CA C 60.129 . 1 1510 224 224 VAL CB C 34.310 . 1 1511 224 224 VAL CG1 C 21.294 . 1 1512 224 224 VAL CG2 C 19.616 . 1 1513 224 224 VAL N N 120.989 . 1 1514 225 225 ALA H H 8.282 . 1 1515 225 225 ALA HB H 1.054 . 1 1516 225 225 ALA C C 180.975 . 1 1517 225 225 ALA CA C 56.296 . 1 1518 225 225 ALA CB C 16.979 . 1 1519 225 225 ALA N N 128.017 . 1 1520 226 226 ASP H H 8.386 . 1 1521 226 226 ASP C C 174.766 . 1 1522 226 226 ASP CA C 54.358 . 1 1523 226 226 ASP CB C 41.166 . 1 1524 226 226 ASP N N 116.754 . 1 1525 227 227 GLY H H 8.211 . 1 1526 227 227 GLY C C 176.317 . 1 1527 227 227 GLY CA C 44.757 . 1 1528 227 227 GLY N N 105.705 . 1 1529 228 228 LEU H H 7.239 . 1 1530 228 228 LEU HD1 H 0.302 . 2 1531 228 228 LEU HD2 H -0.475 . 2 1532 228 228 LEU C C 178.528 . 1 1533 228 228 LEU CA C 54.005 . 1 1534 228 228 LEU CB C 42.384 . 1 1535 228 228 LEU CD1 C 26.067 . 1 1536 228 228 LEU CD2 C 20.882 . 1 1537 228 228 LEU N N 119.878 . 1 1538 229 229 ILE H H 7.093 . 1 1539 229 229 ILE HD1 H 0.515 . 1 1540 229 229 ILE C C 174.024 . 1 1541 229 229 ILE CA C 62.063 . 1 1542 229 229 ILE CB C 38.285 . 1 1543 229 229 ILE CD1 C 14.220 . 1 1544 229 229 ILE N N 118.538 . 1 1545 230 230 THR H H 6.764 . 1 1546 230 230 THR C C 171.784 . 1 1547 230 230 THR CA C 59.242 . 1 1548 230 230 THR CB C 68.564 . 1 1549 230 230 THR N N 111.320 . 1 1550 231 231 THR H H 7.267 . 1 1551 231 231 THR C C 175.642 . 1 1552 231 231 THR CA C 60.447 . 1 1553 231 231 THR CB C 69.808 . 1 1554 231 231 THR N N 106.940 . 1 1555 232 232 LEU H H 7.575 . 1 1556 232 232 LEU HD1 H 0.135 . 2 1557 232 232 LEU HD2 H 0.135 . 2 1558 232 232 LEU C C 175.721 . 1 1559 232 232 LEU CA C 53.760 . 1 1560 232 232 LEU CB C 37.127 . 1 1561 232 232 LEU CD1 C 22.483 . 1 1562 232 232 LEU CD2 C 25.385 . 1 1563 232 232 LEU N N 117.986 . 1 1564 233 233 HIS H H 8.408 . 1 1565 233 233 HIS C C 175.633 . 1 1566 233 233 HIS CA C 56.739 . 1 1567 233 233 HIS CB C 33.302 . 1 1568 233 233 HIS N N 123.227 . 1 1569 234 234 TYR H H 8.030 . 1 1570 234 234 TYR HA H 5.244 . 1 1571 234 234 TYR HB2 H 2.798 . 2 1572 234 234 TYR HB3 H 3.096 . 2 1573 234 234 TYR HD1 H 7.101 . 1 1574 234 234 TYR HD2 H 7.100 . 1 1575 234 234 TYR HE1 H 6.806 . 1 1576 234 234 TYR HE2 H 6.806 . 1 1577 234 234 TYR CA C 54.728 . 1 1578 234 234 TYR CB C 40.588 . 1 1579 234 234 TYR CD1 C 133.215 . 1 1580 234 234 TYR CD2 C 133.185 . 1 1581 234 234 TYR CE1 C 118.432 . 1 1582 234 234 TYR CE2 C 118.432 . 1 1583 234 234 TYR N N 119.008 . 1 1584 235 235 PRO C C 177.207 . 1 1585 235 235 PRO CA C 61.910 . 1 1586 235 235 PRO CB C 31.368 . 1 1587 236 236 ALA H H 8.682 . 1 1588 236 236 ALA HB H 1.092 . 1 1589 236 236 ALA CA C 50.248 . 1 1590 236 236 ALA CB C 17.792 . 1 1591 236 236 ALA N N 130.208 . 1 1592 237 237 PRO C C 177.351 . 1 1593 237 237 PRO CA C 63.185 . 1 1594 237 237 PRO CB C 31.982 . 1 1595 238 238 LYS H H 8.130 . 1 1596 238 238 LYS C C 177.726 . 1 1597 238 238 LYS CA C 56.404 . 1 1598 238 238 LYS CB C 32.935 . 1 1599 238 238 LYS N N 122.216 . 1 1600 239 239 ARG H H 8.410 . 1 1601 239 239 ARG C C 177.776 . 1 1602 239 239 ARG CA C 56.038 . 1 1603 239 239 ARG CB C 30.725 . 1 1604 239 239 ARG N N 121.492 . 1 1605 240 240 ASN H H 8.025 . 1 1606 240 240 ASN C C 175.017 . 1 1607 240 240 ASN CA C 53.870 . 1 1608 240 240 ASN CB C 39.038 . 1 1609 240 240 ASN N N 121.299 . 1 1610 241 241 LYS H H 8.042 . 1 1611 241 241 LYS CA C 54.335 . 1 1612 241 241 LYS CB C 32.202 . 1 1613 241 241 LYS N N 122.630 . 1 1614 242 242 PRO C C 177.334 . 1 1615 242 242 PRO CA C 62.985 . 1 1616 242 242 PRO CB C 31.790 . 1 1617 243 243 THR H H 8.201 . 1 1618 243 243 THR C C 174.635 . 1 1619 243 243 THR CA C 62.323 . 1 1620 243 243 THR CB C 69.888 . 1 1621 243 243 THR N N 116.437 . 1 1622 244 244 VAL H H 8.060 . 1 1623 244 244 VAL HG1 H 0.792 . 2 1624 244 244 VAL HG2 H 0.790 . 2 1625 244 244 VAL C C 176.064 . 1 1626 244 244 VAL CA C 62.176 . 1 1627 244 244 VAL CB C 33.218 . 1 1628 244 244 VAL CG1 C 21.130 . 1 1629 244 244 VAL CG2 C 20.468 . 1 1630 244 244 VAL N N 123.353 . 1 1631 245 245 TYR H H 8.267 . 1 1632 245 245 TYR C C 176.800 . 1 1633 245 245 TYR CA C 58.179 . 1 1634 245 245 TYR CB C 38.870 . 1 1635 245 245 TYR N N 125.059 . 1 1636 246 246 GLY H H 8.227 . 1 1637 246 246 GLY C C 174.269 . 1 1638 246 246 GLY CA C 45.272 . 1 1639 246 246 GLY N N 110.799 . 1 1640 247 247 VAL H H 7.868 . 1 1641 247 247 VAL HG1 H 0.851 . 2 1642 247 247 VAL HG2 H 0.815 . 2 1643 247 247 VAL CA C 61.899 . 1 1644 247 247 VAL CB C 33.389 . 1 1645 247 247 VAL CG1 C 21.069 . 1 1646 247 247 VAL CG2 C 20.011 . 1 1647 247 247 VAL N N 118.392 . 1 1648 249 249 PRO C C 176.711 . 1 1649 249 249 PRO CA C 63.342 . 1 1650 249 249 PRO CB C 31.457 . 1 1651 250 250 ASN H H 8.089 . 1 1652 250 250 ASN C C 175.347 . 1 1653 250 250 ASN CA C 53.143 . 1 1654 250 250 ASN CB C 38.968 . 1 1655 250 250 ASN N N 117.901 . 1 1656 251 251 TYR H H 7.903 . 1 1657 251 251 TYR HD1 H 6.997 . 1 1658 251 251 TYR HD2 H 6.997 . 1 1659 251 251 TYR HE1 H 6.735 . 1 1660 251 251 TYR HE2 H 6.735 . 1 1661 251 251 TYR C C 175.914 . 1 1662 251 251 TYR CA C 58.038 . 1 1663 251 251 TYR CB C 38.539 . 1 1664 251 251 TYR CD1 C 133.164 . 1 1665 251 251 TYR CD2 C 133.164 . 1 1666 251 251 TYR CE1 C 118.183 . 1 1667 251 251 TYR CE2 C 118.183 . 1 1668 251 251 TYR N N 120.818 . 1 1669 252 252 ASP H H 8.168 . 1 1670 252 252 ASP C C 176.154 . 1 1671 252 252 ASP CA C 54.484 . 1 1672 252 252 ASP CB C 41.251 . 1 1673 252 252 ASP N N 121.690 . 1 1674 253 253 LYS H H 7.754 . 1 1675 253 253 LYS C C 176.329 . 1 1676 253 253 LYS CA C 56.075 . 1 1677 253 253 LYS CB C 32.788 . 1 1678 253 253 LYS N N 120.672 . 1 1679 254 254 TRP H H 8.078 . 1 1680 254 254 TRP HE1 H 9.934 . 1 1681 254 254 TRP HE3 H 7.349 . 1 1682 254 254 TRP HZ2 H 7.407 . 1 1683 254 254 TRP HH2 H 6.522 . 1 1684 254 254 TRP C C 175.643 . 1 1685 254 254 TRP CA C 57.068 . 1 1686 254 254 TRP CB C 29.670 . 1 1687 254 254 TRP CE3 C 121.318 . 1 1688 254 254 TRP CZ2 C 116.191 . 1 1689 254 254 TRP CH2 C 121.289 . 1 1690 254 254 TRP N N 123.133 . 1 1691 254 254 TRP NE1 N 129.282 . 1 1692 255 255 GLU H H 7.710 . 1 1693 255 255 GLU CA C 57.975 . 1 1694 255 255 GLU CB C 31.237 . 1 1695 255 255 GLU N N 126.846 . 1 stop_ save_