data_16058 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SOLUTION STRUCTURE OF THE FACTOR H BINDING PROTEIN ; _BMRB_accession_number 16058 _BMRB_flat_file_name bmr16058.str _Entry_type original _Submission_date 2008-12-13 _Accession_date 2008-12-13 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Factor H binding protein is a 27 kDa lipoprotein of Neisseria meningitidis discovered while screening the bacterial genome for vaccine candidates. The protein is composed of two independent barrels connected by a short link' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cantini Francesca . . 2 Veggi Daniele . . 3 Dragonetti Sara . . 4 Savino Silvana . . 5 Scarselli Maria . . 6 Romagnoli Giacomo . . 7 Pizza Mariagrazia . . 8 Banci Lucia . . 9 Rappuoli Rino . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1365 "13C chemical shifts" 932 "15N chemical shifts" 257 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-27 update BMRB 'edit entity/assembly name' 2009-04-30 update BMRB 'complete entry citation' 2009-02-09 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of the Factor H-binding Protein, a Survival Factor and Protective Antigen of Neisseria meningitidis' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19196709 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cantini Francesca . . 2 Veggi Daniele . . 3 Dragonetti Sara . . 4 Savino Silvana . . 5 Scarselli Maria . . 6 Romagnoli Giacomo . . 7 Pizza Mariagrazia . . 8 Banci Lucia . . 9 Rappuoli Rino . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 284 _Journal_issue 14 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9022 _Page_last 9026 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Factor H-binding Protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Factor H-binding Protein' $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Factor H-binding Protein' _Molecular_mass 25971.215 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 255 _Mol_residue_sequence ; MVAADIGAGLADALTAPLDH KDKGLQSLTLDQSVRKNEKL KLAAQGAEKTYGNGDSLNTG KLKNDKVSRFDFIRQIEVDG QLITLESGEFQVYKQSHSAL TAFQTEQIQDSEHSGKMVAK RQFRIGDIAGEHTSFDKLPE GGRATYRGTAFGSDDAGGKL TYTIDFAAKQGNGKIEHLKS PELNVDLAAADIKPDGKRHA VISGSVLYNQAEKGSYSLGI FGGKAQEVAGSAEVKTVNGI RHIGLAAKQHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 7 MET 2 8 VAL 3 9 ALA 4 10 ALA 5 11 ASP 6 12 ILE 7 13 GLY 8 14 ALA 9 15 GLY 10 16 LEU 11 17 ALA 12 18 ASP 13 19 ALA 14 20 LEU 15 21 THR 16 22 ALA 17 23 PRO 18 24 LEU 19 25 ASP 20 26 HIS 21 27 LYS 22 28 ASP 23 29 LYS 24 30 GLY 25 31 LEU 26 32 GLN 27 33 SER 28 34 LEU 29 35 THR 30 36 LEU 31 37 ASP 32 38 GLN 33 39 SER 34 40 VAL 35 41 ARG 36 42 LYS 37 43 ASN 38 44 GLU 39 45 LYS 40 46 LEU 41 47 LYS 42 48 LEU 43 49 ALA 44 50 ALA 45 51 GLN 46 52 GLY 47 53 ALA 48 54 GLU 49 55 LYS 50 56 THR 51 57 TYR 52 58 GLY 53 59 ASN 54 60 GLY 55 61 ASP 56 62 SER 57 63 LEU 58 64 ASN 59 65 THR 60 66 GLY 61 67 LYS 62 68 LEU 63 69 LYS 64 70 ASN 65 71 ASP 66 72 LYS 67 73 VAL 68 74 SER 69 75 ARG 70 76 PHE 71 77 ASP 72 78 PHE 73 79 ILE 74 80 ARG 75 81 GLN 76 82 ILE 77 83 GLU 78 84 VAL 79 85 ASP 80 86 GLY 81 87 GLN 82 88 LEU 83 89 ILE 84 90 THR 85 91 LEU 86 92 GLU 87 93 SER 88 94 GLY 89 95 GLU 90 96 PHE 91 97 GLN 92 98 VAL 93 99 TYR 94 100 LYS 95 101 GLN 96 102 SER 97 103 HIS 98 104 SER 99 105 ALA 100 106 LEU 101 107 THR 102 108 ALA 103 109 PHE 104 110 GLN 105 111 THR 106 112 GLU 107 113 GLN 108 114 ILE 109 115 GLN 110 116 ASP 111 117 SER 112 118 GLU 113 119 HIS 114 120 SER 115 121 GLY 116 122 LYS 117 123 MET 118 124 VAL 119 125 ALA 120 126 LYS 121 127 ARG 122 128 GLN 123 129 PHE 124 130 ARG 125 131 ILE 126 132 GLY 127 133 ASP 128 134 ILE 129 135 ALA 130 136 GLY 131 137 GLU 132 138 HIS 133 139 THR 134 140 SER 135 141 PHE 136 142 ASP 137 143 LYS 138 144 LEU 139 145 PRO 140 146 GLU 141 147 GLY 142 148 GLY 143 149 ARG 144 150 ALA 145 151 THR 146 152 TYR 147 153 ARG 148 154 GLY 149 155 THR 150 156 ALA 151 157 PHE 152 158 GLY 153 159 SER 154 160 ASP 155 161 ASP 156 162 ALA 157 163 GLY 158 164 GLY 159 165 LYS 160 166 LEU 161 167 THR 162 168 TYR 163 169 THR 164 170 ILE 165 171 ASP 166 172 PHE 167 173 ALA 168 174 ALA 169 175 LYS 170 176 GLN 171 177 GLY 172 178 ASN 173 179 GLY 174 180 LYS 175 181 ILE 176 182 GLU 177 183 HIS 178 184 LEU 179 185 LYS 180 186 SER 181 187 PRO 182 188 GLU 183 189 LEU 184 190 ASN 185 191 VAL 186 192 ASP 187 193 LEU 188 194 ALA 189 195 ALA 190 196 ALA 191 197 ASP 192 198 ILE 193 199 LYS 194 200 PRO 195 201 ASP 196 202 GLY 197 203 LYS 198 204 ARG 199 205 HIS 200 206 ALA 201 207 VAL 202 208 ILE 203 209 SER 204 210 GLY 205 211 SER 206 212 VAL 207 213 LEU 208 214 TYR 209 215 ASN 210 216 GLN 211 217 ALA 212 218 GLU 213 219 LYS 214 220 GLY 215 221 SER 216 222 TYR 217 223 SER 218 224 LEU 219 225 GLY 220 226 ILE 221 227 PHE 222 228 GLY 223 229 GLY 224 230 LYS 225 231 ALA 226 232 GLN 227 233 GLU 228 234 VAL 229 235 ALA 230 236 GLY 231 237 SER 232 238 ALA 233 239 GLU 234 240 VAL 235 241 LYS 236 242 THR 237 243 VAL 238 244 ASN 239 245 GLY 240 246 ILE 241 247 ARG 242 248 HIS 243 249 ILE 244 250 GLY 245 251 LEU 246 252 ALA 247 253 ALA 248 254 LYS 249 255 GLN 250 256 HIS 251 257 HIS 252 258 HIS 253 259 HIS 254 260 HIS 255 261 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1YS5 "Solution Structure Of The Antigenic Domain Of Gna1870 Of Neisseria Meningitidis" 63.92 164 98.77 98.77 2.46e-108 PDB 2KC0 "Solution Structure Of The Factor H Binding Protein" 100.00 255 100.00 100.00 0.00e+00 PDB 2W80 "Structure Of A Complex Between Neisseria Meningitidis Factor H Binding Protein And Ccps 6-7 Of Human Complement Factor H" 97.25 253 100.00 100.00 8.07e-176 PDB 2W81 "Structure Of A Complex Between Neisseria Meningitidis Factor H Binding Protein And Ccps 6-7 Of Human Complement Factor H" 97.25 253 100.00 100.00 8.07e-176 PDB 2YPV "Crystal Structure Of The Meningococcal Vaccine Antigen Factor H Binding Protein In Complex With A Bactericidal Antibody" 97.25 253 100.00 100.00 1.24e-175 PDB 3KVD "Crystal Structure Of The Neisseria Meningitidis Factor H Binding Protein, Fhbp (Gna1870) At 2.0 A Resolution" 94.90 242 100.00 100.00 1.60e-171 PDB 4AYD "Structure Of A Complex Between Ccps 6 And 7 Of Human Complement Factor H And Neisseria Meningitidis Fhbp Variant 1 R106a Mutant" 100.78 257 98.83 98.83 1.25e-179 PDB 4AYE "Structure Of A Complex Between Ccps 6 And 7 Of Human Complement Factor H And Neisseria Meningitidis Fhbp Variant 1 E283ae304a M" 100.78 257 98.44 98.44 9.58e-179 EMBL CCA43599 "hypothetical protein NMALPHA522_0058 [Neisseria meningitidis alpha522]" 97.25 320 97.98 98.79 3.47e-170 GB AAF42204 "hypothetical protein NMB1870 [Neisseria meningitidis MC58]" 97.25 320 100.00 100.00 1.17e-175 GB AAR84468 "putative lipoprotein precursor, partial [Neisseria meningitidis]" 97.25 255 100.00 100.00 8.13e-176 GB AAR84469 "putative lipoprotein precursor, partial [Neisseria meningitidis]" 97.25 255 100.00 100.00 8.13e-176 GB AAR84470 "putative lipoprotein precursor, partial [Neisseria meningitidis]" 97.25 255 100.00 100.00 8.13e-176 GB AAR84471 "putative lipoprotein precursor, partial [Neisseria meningitidis]" 97.25 255 100.00 100.00 8.13e-176 REF NP_274866 "hypothetical protein NMB1870 [Neisseria meningitidis MC58]" 97.25 320 100.00 100.00 1.17e-175 REF WP_002225785 "factor H-binding protein [Neisseria meningitidis]" 97.25 274 100.00 100.00 2.81e-176 REF WP_002255070 "factor H-binding protein [Neisseria meningitidis]" 97.25 274 97.98 98.79 6.26e-171 REF WP_010981001 "hypothetical protein [Neisseria meningitidis]" 97.25 320 100.00 100.00 1.17e-175 REF WP_039854169 "factor H-binding protein [Neisseria cinerea]" 97.25 274 97.18 97.98 2.97e-169 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'Neisseria meningitidis' 487 Bacteria . Neisseria meningitidis 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 _Details $entity 'recombinant technology' . Escherichia coli Bl21(de3) pET20b+ 'the name of the gene is nmb1870' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.4 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' 'potassium phosphate' 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.5 mM '[U-98% 13C; U-98% 15N]' 'potassium phosphate' 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.8 mM 'natural abundance' 'potassium phosphate' 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version 10 loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task validation stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _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_2 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_3 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label dioxane C 13 'methyl carbon' ppm 69.4 external direct . . . 1.00 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Factor H-binding Protein' _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 8 2 VAL HA H 3.775 0.020 1 2 9 3 ALA H H 8.398 0.020 1 3 9 3 ALA HA H 4.222 0.020 1 4 9 3 ALA HB H 1.296 0.020 1 5 9 3 ALA C C 177.252 0.400 1 6 9 3 ALA CB C 19.290 0.400 1 7 9 3 ALA N N 128.539 0.400 1 8 10 4 ALA H H 8.337 0.020 1 9 10 4 ALA HA H 4.147 0.020 1 10 10 4 ALA HB H 1.259 0.020 1 11 10 4 ALA C C 177.154 0.400 1 12 10 4 ALA CA C 51.823 0.400 1 13 10 4 ALA CB C 19.290 0.400 1 14 10 4 ALA N N 123.721 0.400 1 15 11 5 ASP H H 8.234 0.020 1 16 11 5 ASP HA H 4.488 0.020 1 17 11 5 ASP HB2 H 2.597 0.020 2 18 11 5 ASP HB3 H 2.493 0.020 2 19 11 5 ASP C C 176.386 0.400 1 20 11 5 ASP CA C 53.700 0.400 1 21 11 5 ASP CB C 40.562 0.400 1 22 11 5 ASP N N 119.224 0.400 1 23 12 6 ILE H H 7.994 0.020 1 24 12 6 ILE HA H 4.014 0.020 1 25 12 6 ILE HB H 1.841 0.020 1 26 12 6 ILE HD1 H 0.760 0.020 1 27 12 6 ILE HG12 H 1.342 0.020 2 28 12 6 ILE HG13 H 1.103 0.020 2 29 12 6 ILE HG2 H 0.804 0.020 1 30 12 6 ILE C C 176.908 0.400 1 31 12 6 ILE CA C 61.833 0.400 1 32 12 6 ILE CB C 38.059 0.400 1 33 12 6 ILE CD1 C 12.866 0.400 1 34 12 6 ILE CG1 C 26.765 0.400 1 35 12 6 ILE CG2 C 17.360 0.400 1 36 12 6 ILE N N 121.312 0.400 1 37 13 7 GLY H H 8.436 0.020 1 38 13 7 GLY HA2 H 3.810 0.020 2 39 13 7 GLY HA3 H 3.810 0.020 2 40 13 7 GLY C C 173.723 0.400 1 41 13 7 GLY CA C 44.941 0.400 1 42 13 7 GLY N N 111.837 0.400 1 43 14 8 ALA H H 7.950 0.020 1 44 14 8 ALA HA H 4.211 0.020 1 45 14 8 ALA HB H 1.296 0.020 1 46 14 8 ALA C C 178.022 0.400 1 47 14 8 ALA CA C 52.448 0.400 1 48 14 8 ALA CB C 19.290 0.400 1 49 14 8 ALA N N 123.239 0.400 1 50 15 9 GLY H H 8.346 0.020 1 51 15 9 GLY HA2 H 4.021 0.020 2 52 15 9 GLY HA3 H 3.772 0.020 2 53 15 9 GLY C C 174.259 0.400 1 54 15 9 GLY CA C 45.581 0.400 1 55 15 9 GLY N N 107.368 0.400 1 56 16 10 LEU H H 7.224 0.020 1 57 16 10 LEU HA H 3.736 0.020 1 58 16 10 LEU HB2 H 1.368 0.020 2 59 16 10 LEU HB3 H 0.994 0.020 2 60 16 10 LEU HD1 H 0.664 0.020 2 61 16 10 LEU HD2 H 0.183 0.020 2 62 16 10 LEU HG H 1.278 0.020 1 63 16 10 LEU C C 178.202 0.400 1 64 16 10 LEU CA C 57.915 0.400 1 65 16 10 LEU CB C 40.686 0.400 1 66 16 10 LEU CD1 C 24.912 0.400 1 67 16 10 LEU CD2 C 21.653 0.400 1 68 16 10 LEU CG C 24.381 0.400 1 69 16 10 LEU N N 117.616 0.400 1 70 17 11 ALA H H 7.860 0.020 1 71 17 11 ALA HA H 3.937 0.020 1 72 17 11 ALA HB H 1.376 0.020 1 73 17 11 ALA C C 181.090 0.400 1 74 17 11 ALA CA C 54.860 0.400 1 75 17 11 ALA CB C 17.248 0.400 1 76 17 11 ALA N N 117.757 0.400 1 77 18 12 ASP H H 8.017 0.020 1 78 18 12 ASP HA H 4.223 0.020 1 79 18 12 ASP HB2 H 2.250 0.020 2 80 18 12 ASP HB3 H 2.556 0.020 2 81 18 12 ASP C C 177.941 0.400 1 82 18 12 ASP CA C 56.341 0.400 1 83 18 12 ASP CB C 39.312 0.400 1 84 18 12 ASP N N 118.410 0.400 1 85 19 13 ALA H H 8.205 0.020 1 86 19 13 ALA HA H 3.952 0.020 1 87 19 13 ALA HB H 1.423 0.020 1 88 19 13 ALA C C 178.856 0.400 1 89 19 13 ALA CA C 55.039 0.400 1 90 19 13 ALA CB C 17.779 0.400 1 91 19 13 ALA N N 121.480 0.400 1 92 20 14 LEU H H 7.217 0.020 1 93 20 14 LEU HA H 4.258 0.020 1 94 20 14 LEU HB2 H 1.947 0.020 2 95 20 14 LEU HB3 H 1.295 0.020 2 96 20 14 LEU HD1 H 0.651 0.020 2 97 20 14 LEU HD2 H 0.651 0.020 2 98 20 14 LEU HG H 0.844 0.020 1 99 20 14 LEU C C 177.544 0.400 1 100 20 14 LEU CA C 55.511 0.400 1 101 20 14 LEU CB C 42.176 0.400 1 102 20 14 LEU CD1 C 23.277 0.400 1 103 20 14 LEU CG C 25.954 0.400 1 104 20 14 LEU N N 113.410 0.400 1 105 21 15 THR H H 7.624 0.020 1 106 21 15 THR HA H 4.394 0.020 1 107 21 15 THR HB H 4.145 0.020 1 108 21 15 THR HG2 H 1.146 0.020 1 109 21 15 THR C C 174.959 0.400 1 110 21 15 THR CA C 61.733 0.400 1 111 21 15 THR CB C 71.514 0.400 1 112 21 15 THR CG2 C 20.901 0.400 1 113 21 15 THR N N 106.072 0.400 1 114 22 16 ALA H H 8.932 0.020 1 115 22 16 ALA HA H 4.624 0.020 1 116 22 16 ALA HB H 1.338 0.020 1 117 22 16 ALA C C 175.978 0.400 1 118 22 16 ALA CA C 50.681 0.400 1 119 22 16 ALA CB C 18.728 0.400 1 120 22 16 ALA N N 127.789 0.400 1 121 23 17 PRO HA H 4.430 0.020 1 122 23 17 PRO HB2 H 2.190 0.020 2 123 23 17 PRO HB3 H 1.851 0.020 2 124 23 17 PRO HD2 H 3.746 0.020 2 125 23 17 PRO HD3 H 3.551 0.020 2 126 23 17 PRO HG2 H 1.920 0.020 2 127 23 17 PRO HG3 H 1.830 0.020 2 128 23 17 PRO CA C 61.497 0.400 1 129 23 17 PRO CB C 31.775 0.400 1 130 23 17 PRO CD C 50.074 0.400 1 131 23 17 PRO CG C 26.493 0.400 1 132 24 18 LEU H H 8.154 0.020 1 133 24 18 LEU HA H 3.894 0.020 1 134 24 18 LEU HB2 H 1.470 0.020 2 135 24 18 LEU HB3 H 1.223 0.020 2 136 24 18 LEU HD1 H 0.635 0.020 2 137 24 18 LEU HD2 H 0.721 0.020 2 138 24 18 LEU HG H 1.371 0.020 1 139 24 18 LEU C C 176.447 0.400 1 140 24 18 LEU CA C 55.510 0.400 1 141 24 18 LEU CB C 40.921 0.400 1 142 24 18 LEU CD1 C 16.249 0.400 1 143 24 18 LEU CD2 C 24.066 0.400 1 144 24 18 LEU CG C 26.674 0.400 1 145 24 18 LEU N N 121.010 0.400 1 146 25 19 ASP H H 8.758 0.020 1 147 25 19 ASP HA H 4.626 0.020 1 148 25 19 ASP HB2 H 2.242 0.020 2 149 25 19 ASP HB3 H 2.767 0.020 2 150 25 19 ASP C C 176.425 0.400 1 151 25 19 ASP CA C 52.688 0.400 1 152 25 19 ASP CB C 42.819 0.400 1 153 25 19 ASP N N 124.654 0.400 1 154 26 20 HIS HA H 4.272 0.020 1 155 26 20 HIS HB2 H 3.081 0.020 2 156 26 20 HIS HB3 H 3.081 0.020 2 157 26 20 HIS HD2 H 6.920 0.020 1 158 26 20 HIS HE1 H 7.710 0.020 1 159 26 20 HIS CA C 58.100 0.400 1 160 26 20 HIS CB C 29.200 0.400 1 161 27 21 LYS H H 8.348 0.020 1 162 27 21 LYS HA H 3.970 0.020 1 163 27 21 LYS HB2 H 1.577 0.020 2 164 27 21 LYS HB3 H 1.577 0.020 2 165 27 21 LYS HD2 H 1.515 0.020 2 166 27 21 LYS HD3 H 1.515 0.020 2 167 27 21 LYS HE2 H 2.845 0.020 2 168 27 21 LYS HE3 H 2.845 0.020 2 169 27 21 LYS HG2 H 1.075 0.020 2 170 27 21 LYS HG3 H 0.971 0.020 2 171 27 21 LYS C C 177.393 0.400 1 172 27 21 LYS CA C 56.320 0.400 1 173 27 21 LYS CB C 30.950 0.400 1 174 27 21 LYS CE C 40.898 0.400 1 175 27 21 LYS CG C 23.667 0.400 1 176 27 21 LYS N N 118.419 0.400 1 177 28 22 ASP H H 7.451 0.020 1 178 28 22 ASP HA H 4.307 0.020 1 179 28 22 ASP HB2 H 2.556 0.020 2 180 28 22 ASP HB3 H 2.438 0.020 2 181 28 22 ASP C C 176.212 0.400 1 182 28 22 ASP CA C 54.164 0.400 1 183 28 22 ASP CB C 40.091 0.400 1 184 28 22 ASP N N 120.045 0.400 1 185 29 23 LYS H H 8.416 0.020 1 186 29 23 LYS HA H 3.962 0.020 1 187 29 23 LYS HB2 H 1.638 0.020 2 188 29 23 LYS HB3 H 1.638 0.020 2 189 29 23 LYS HD2 H 1.559 0.020 2 190 29 23 LYS HD3 H 1.559 0.020 2 191 29 23 LYS HE2 H 2.543 0.020 2 192 29 23 LYS HE3 H 2.543 0.020 2 193 29 23 LYS HG2 H 1.417 0.020 2 194 29 23 LYS HG3 H 1.276 0.020 2 195 29 23 LYS C C 177.409 0.400 1 196 29 23 LYS CA C 56.254 0.400 1 197 29 23 LYS CB C 31.950 0.400 1 198 29 23 LYS CD C 33.122 0.400 1 199 29 23 LYS CE C 42.070 0.400 1 200 29 23 LYS CG C 24.804 0.400 1 201 29 23 LYS N N 121.925 0.400 1 202 30 24 GLY H H 8.612 0.020 1 203 30 24 GLY HA2 H 3.655 0.020 2 204 30 24 GLY HA3 H 3.519 0.020 2 205 30 24 GLY CA C 44.788 0.400 1 206 30 24 GLY N N 111.487 0.400 1 207 31 25 LEU H H 8.054 0.020 1 208 31 25 LEU HA H 3.770 0.020 1 209 31 25 LEU HB2 H 1.230 0.020 2 210 31 25 LEU HB3 H 0.760 0.020 2 211 31 25 LEU HD1 H 0.389 0.020 2 212 31 25 LEU HD2 H 0.708 0.020 2 213 31 25 LEU HG H 1.543 0.020 1 214 31 25 LEU CA C 55.906 0.400 1 215 31 25 LEU CB C 44.428 0.400 1 216 31 25 LEU CD1 C 26.907 0.400 1 217 31 25 LEU CD2 C 22.715 0.400 1 218 31 25 LEU CG C 27.329 0.400 1 219 31 25 LEU N N 127.196 0.400 1 220 32 26 GLN H H 9.184 0.020 1 221 32 26 GLN HA H 3.437 0.020 1 222 32 26 GLN HB2 H 2.023 0.020 2 223 32 26 GLN HB3 H 1.948 0.020 2 224 32 26 GLN HE21 H 7.568 0.020 2 225 32 26 GLN HE22 H 6.571 0.020 2 226 32 26 GLN HG2 H 2.186 0.020 2 227 32 26 GLN HG3 H 2.053 0.020 2 228 32 26 GLN C C 174.347 0.400 1 229 32 26 GLN CA C 57.926 0.400 1 230 32 26 GLN CB C 27.721 0.400 1 231 32 26 GLN CG C 34.588 0.400 1 232 32 26 GLN N N 131.782 0.400 1 233 32 26 GLN NE2 N 112.483 0.400 1 234 33 27 SER H H 7.240 0.020 1 235 33 27 SER HA H 4.981 0.020 1 236 33 27 SER HB2 H 3.638 0.020 2 237 33 27 SER HB3 H 3.438 0.020 2 238 33 27 SER C C 171.111 0.400 1 239 33 27 SER CA C 56.782 0.400 1 240 33 27 SER CB C 64.611 0.400 1 241 33 27 SER N N 108.936 0.400 1 242 34 28 LEU H H 8.010 0.020 1 243 34 28 LEU HA H 4.372 0.020 1 244 34 28 LEU HB2 H 1.147 0.020 2 245 34 28 LEU HB3 H 1.147 0.020 2 246 34 28 LEU HD1 H 0.370 0.020 2 247 34 28 LEU HD2 H 0.460 0.020 2 248 34 28 LEU HG H 1.236 0.020 1 249 34 28 LEU C C 174.697 0.400 1 250 34 28 LEU CA C 53.332 0.400 1 251 34 28 LEU CB C 45.636 0.400 1 252 34 28 LEU CD1 C 26.172 0.400 1 253 34 28 LEU CD2 C 26.220 0.400 1 254 34 28 LEU CG C 26.440 0.400 1 255 34 28 LEU N N 121.826 0.400 1 256 35 29 THR H H 8.810 0.020 1 257 35 29 THR HA H 4.046 0.020 1 258 35 29 THR HB H 3.852 0.020 1 259 35 29 THR HG2 H 0.926 0.020 1 260 35 29 THR C C 172.792 0.400 1 261 35 29 THR CA C 62.565 0.400 1 262 35 29 THR CB C 68.233 0.400 1 263 35 29 THR CG2 C 21.978 0.400 1 264 35 29 THR N N 123.892 0.400 1 265 36 30 LEU H H 8.662 0.020 1 266 36 30 LEU HA H 4.150 0.020 1 267 36 30 LEU HB2 H 1.870 0.020 2 268 36 30 LEU HB3 H 0.812 0.020 2 269 36 30 LEU HD1 H 0.471 0.020 2 270 36 30 LEU HD2 H 0.103 0.020 2 271 36 30 LEU HG H 1.469 0.020 1 272 36 30 LEU C C 174.707 0.400 1 273 36 30 LEU CA C 53.789 0.400 1 274 36 30 LEU CB C 40.562 0.400 1 275 36 30 LEU CD1 C 22.124 0.400 1 276 36 30 LEU CD2 C 25.547 0.400 1 277 36 30 LEU CG C 24.998 0.400 1 278 36 30 LEU N N 128.365 0.400 1 279 37 31 ASP H H 8.500 0.020 1 280 37 31 ASP HA H 4.837 0.020 1 281 37 31 ASP HB2 H 2.703 0.020 2 282 37 31 ASP HB3 H 2.440 0.020 2 283 37 31 ASP CA C 54.657 0.400 1 284 37 31 ASP CB C 43.089 0.400 1 285 37 31 ASP N N 123.194 0.400 1 286 38 32 GLN H H 10.453 0.020 1 287 38 32 GLN HA H 3.808 0.020 1 288 38 32 GLN HB2 H 1.892 0.020 2 289 38 32 GLN HB3 H 1.421 0.020 2 290 38 32 GLN HE21 H 7.505 0.020 2 291 38 32 GLN HE22 H 6.725 0.020 2 292 38 32 GLN HG2 H 2.366 0.020 2 293 38 32 GLN HG3 H 2.270 0.020 2 294 38 32 GLN C C 178.535 0.400 1 295 38 32 GLN CA C 56.284 0.400 1 296 38 32 GLN CB C 28.175 0.400 1 297 38 32 GLN CG C 33.651 0.400 1 298 38 32 GLN N N 120.692 0.400 1 299 38 32 GLN NE2 N 113.763 0.400 1 300 39 33 SER H H 8.523 0.020 1 301 39 33 SER HA H 4.081 0.020 1 302 39 33 SER HB2 H 3.785 0.020 2 303 39 33 SER HB3 H 3.556 0.020 2 304 39 33 SER C C 171.792 0.400 1 305 39 33 SER CA C 61.436 0.400 1 306 39 33 SER CB C 63.008 0.400 1 307 39 33 SER N N 111.712 0.400 1 308 40 34 VAL H H 6.691 0.020 1 309 40 34 VAL HA H 3.890 0.020 1 310 40 34 VAL HB H 1.766 0.020 1 311 40 34 VAL HG1 H 0.773 0.020 2 312 40 34 VAL HG2 H 0.586 0.020 2 313 40 34 VAL C C 172.251 0.400 1 314 40 34 VAL CA C 60.415 0.400 1 315 40 34 VAL CB C 32.306 0.400 1 316 40 34 VAL CG1 C 21.254 0.400 1 317 40 34 VAL CG2 C 18.910 0.400 1 318 40 34 VAL N N 115.971 0.400 1 319 41 35 ARG H H 8.184 0.020 1 320 41 35 ARG HA H 4.176 0.020 1 321 41 35 ARG HB2 H 2.152 0.020 2 322 41 35 ARG HB3 H 1.673 0.020 2 323 41 35 ARG HD2 H 2.985 0.020 2 324 41 35 ARG HD3 H 2.985 0.020 2 325 41 35 ARG HG2 H 1.298 0.020 2 326 41 35 ARG HG3 H 1.499 0.020 2 327 41 35 ARG C C 176.886 0.400 1 328 41 35 ARG CA C 55.599 0.400 1 329 41 35 ARG CB C 30.569 0.400 1 330 41 35 ARG CD C 42.438 0.400 1 331 41 35 ARG CG C 27.090 0.400 1 332 41 35 ARG N N 125.397 0.400 1 333 42 36 LYS H H 8.493 0.020 1 334 42 36 LYS HA H 3.778 0.020 1 335 42 36 LYS HB2 H 1.636 0.020 2 336 42 36 LYS HB3 H 1.475 0.020 2 337 42 36 LYS HD2 H 1.521 0.020 2 338 42 36 LYS HD3 H 1.521 0.020 2 339 42 36 LYS HE2 H 2.843 0.020 2 340 42 36 LYS HE3 H 2.843 0.020 2 341 42 36 LYS HG2 H 1.432 0.020 2 342 42 36 LYS HG3 H 1.432 0.020 2 343 42 36 LYS C C 176.596 0.400 1 344 42 36 LYS CA C 58.687 0.400 1 345 42 36 LYS CB C 31.959 0.400 1 346 42 36 LYS CD C 28.580 0.400 1 347 42 36 LYS CE C 41.768 0.400 1 348 42 36 LYS CG C 24.660 0.400 1 349 42 36 LYS N N 119.360 0.400 1 350 43 37 ASN H H 8.513 0.020 1 351 43 37 ASN HA H 4.438 0.020 1 352 43 37 ASN HB2 H 3.117 0.020 2 353 43 37 ASN HB3 H 2.819 0.020 2 354 43 37 ASN HD21 H 7.521 0.020 2 355 43 37 ASN HD22 H 6.878 0.020 2 356 43 37 ASN C C 173.867 0.400 1 357 43 37 ASN CA C 55.127 0.400 1 358 43 37 ASN CB C 37.071 0.400 1 359 43 37 ASN N N 115.488 0.400 1 360 43 37 ASN ND2 N 113.149 0.400 1 361 44 38 GLU H H 7.793 0.020 1 362 44 38 GLU HA H 4.772 0.020 1 363 44 38 GLU HB2 H 2.187 0.020 2 364 44 38 GLU HB3 H 1.779 0.020 2 365 44 38 GLU C C 175.262 0.400 1 366 44 38 GLU CA C 54.808 0.400 1 367 44 38 GLU CB C 32.321 0.400 1 368 44 38 GLU N N 118.734 0.400 1 369 45 39 LYS H H 8.706 0.020 1 370 45 39 LYS HA H 4.606 0.020 1 371 45 39 LYS HB2 H 1.429 0.020 2 372 45 39 LYS HB3 H 1.429 0.020 2 373 45 39 LYS HD2 H 1.520 0.020 2 374 45 39 LYS HD3 H 1.520 0.020 2 375 45 39 LYS HE2 H 2.817 0.020 2 376 45 39 LYS HE3 H 2.817 0.020 2 377 45 39 LYS HG2 H 1.241 0.020 2 378 45 39 LYS HG3 H 1.195 0.020 2 379 45 39 LYS C C 174.312 0.400 1 380 45 39 LYS CA C 52.782 0.400 1 381 45 39 LYS CB C 35.174 0.400 1 382 45 39 LYS CD C 28.251 0.400 1 383 45 39 LYS CE C 42.323 0.400 1 384 45 39 LYS CG C 24.049 0.400 1 385 45 39 LYS N N 117.132 0.400 1 386 46 40 LEU H H 9.085 0.020 1 387 46 40 LEU HA H 5.044 0.020 1 388 46 40 LEU HB2 H 1.743 0.020 2 389 46 40 LEU HB3 H 1.028 0.020 2 390 46 40 LEU HD1 H 0.089 0.020 2 391 46 40 LEU HG H 1.193 0.020 1 392 46 40 LEU C C 173.778 0.400 1 393 46 40 LEU CA C 52.590 0.400 1 394 46 40 LEU CB C 44.855 0.400 1 395 46 40 LEU CD1 C 24.727 0.400 1 396 46 40 LEU CG C 25.260 0.400 1 397 46 40 LEU N N 125.335 0.400 1 398 47 41 LYS H H 9.263 0.020 1 399 47 41 LYS HA H 5.049 0.020 1 400 47 41 LYS HB2 H 1.724 0.020 2 401 47 41 LYS HB3 H 1.521 0.020 2 402 47 41 LYS HD2 H 1.593 0.020 2 403 47 41 LYS HD3 H 1.593 0.020 2 404 47 41 LYS HE2 H 2.626 0.020 2 405 47 41 LYS HE3 H 2.626 0.020 2 406 47 41 LYS HG2 H 1.533 0.020 2 407 47 41 LYS HG3 H 1.533 0.020 2 408 47 41 LYS C C 175.616 0.400 1 409 47 41 LYS CA C 53.864 0.400 1 410 47 41 LYS CB C 32.986 0.400 1 411 47 41 LYS CD C 30.429 0.400 1 412 47 41 LYS CE C 41.140 0.400 1 413 47 41 LYS CG C 28.085 0.400 1 414 47 41 LYS N N 129.833 0.400 1 415 48 42 LEU H H 8.954 0.020 1 416 48 42 LEU HA H 5.458 0.020 1 417 48 42 LEU HB2 H 0.889 0.020 2 418 48 42 LEU HB3 H 0.845 0.020 2 419 48 42 LEU HD1 H -0.317 0.020 2 420 48 42 LEU HD2 H 0.100 0.020 2 421 48 42 LEU HG H 0.673 0.020 1 422 48 42 LEU C C 175.565 0.400 1 423 48 42 LEU CA C 51.964 0.400 1 424 48 42 LEU CB C 44.393 0.400 1 425 48 42 LEU CD1 C 24.178 0.400 1 426 48 42 LEU CD2 C 23.115 0.400 1 427 48 42 LEU CG C 26.559 0.400 1 428 48 42 LEU N N 126.292 0.400 1 429 49 43 ALA H H 8.804 0.020 1 430 49 43 ALA HA H 5.304 0.020 1 431 49 43 ALA HB H 1.361 0.020 1 432 49 43 ALA C C 176.301 0.400 1 433 49 43 ALA CA C 51.004 0.400 1 434 49 43 ALA CB C 23.453 0.400 1 435 49 43 ALA N N 120.789 0.400 1 436 50 44 ALA H H 8.117 0.020 1 437 50 44 ALA HA H 4.485 0.020 1 438 50 44 ALA HB H 1.389 0.020 1 439 50 44 ALA C C 176.254 0.400 1 440 50 44 ALA CA C 53.021 0.400 1 441 50 44 ALA CB C 23.682 0.400 1 442 50 44 ALA N N 120.678 0.400 1 443 51 45 GLN H H 9.035 0.020 1 444 51 45 GLN HA H 3.774 0.020 1 445 51 45 GLN HB2 H 2.255 0.020 2 446 51 45 GLN HB3 H 1.890 0.020 2 447 51 45 GLN HE21 H 7.530 0.020 2 448 51 45 GLN HE22 H 6.823 0.020 2 449 51 45 GLN HG2 H 2.352 0.020 2 450 51 45 GLN HG3 H 2.310 0.020 2 451 51 45 GLN C C 175.259 0.400 1 452 51 45 GLN CA C 56.074 0.400 1 453 51 45 GLN CB C 27.339 0.400 1 454 51 45 GLN CG C 34.041 0.400 1 455 51 45 GLN N N 116.299 0.400 1 456 51 45 GLN NE2 N 112.018 0.400 1 457 52 46 GLY H H 8.441 0.020 1 458 52 46 GLY HA2 H 4.066 0.020 2 459 52 46 GLY HA3 H 3.510 0.020 2 460 52 46 GLY C C 173.050 0.400 1 461 52 46 GLY CA C 44.998 0.400 1 462 52 46 GLY N N 105.419 0.400 1 463 53 47 ALA H H 8.152 0.020 1 464 53 47 ALA HA H 4.767 0.020 1 465 53 47 ALA HB H 1.411 0.020 1 466 53 47 ALA C C 175.989 0.400 1 467 53 47 ALA CA C 49.918 0.400 1 468 53 47 ALA CB C 22.720 0.400 1 469 53 47 ALA N N 124.355 0.400 1 470 54 48 GLU H H 8.156 0.020 1 471 54 48 GLU HA H 5.488 0.020 1 472 54 48 GLU HB2 H 1.909 0.020 2 473 54 48 GLU HB3 H 1.745 0.020 2 474 54 48 GLU HG2 H 2.029 0.020 2 475 54 48 GLU HG3 H 2.029 0.020 2 476 54 48 GLU C C 174.224 0.400 1 477 54 48 GLU CA C 54.346 0.400 1 478 54 48 GLU CB C 34.305 0.400 1 479 54 48 GLU CG C 32.941 0.400 1 480 54 48 GLU N N 116.655 0.400 1 481 55 49 LYS H H 8.852 0.020 1 482 55 49 LYS HA H 4.190 0.020 1 483 55 49 LYS HB2 H 1.917 0.020 2 484 55 49 LYS HB3 H 1.732 0.020 2 485 55 49 LYS HD2 H 1.420 0.020 2 486 55 49 LYS HD3 H 1.420 0.020 2 487 55 49 LYS HG2 H 1.191 0.020 2 488 55 49 LYS HG3 H 1.191 0.020 2 489 55 49 LYS C C 172.887 0.400 1 490 55 49 LYS CA C 56.414 0.400 1 491 55 49 LYS CB C 34.723 0.400 1 492 55 49 LYS CD C 29.161 0.400 1 493 55 49 LYS CG C 23.920 0.400 1 494 55 49 LYS N N 122.922 0.400 1 495 56 50 THR H H 7.910 0.020 1 496 56 50 THR HA H 4.908 0.020 1 497 56 50 THR HB H 3.692 0.020 1 498 56 50 THR HG2 H 0.943 0.020 1 499 56 50 THR C C 173.112 0.400 1 500 56 50 THR CA C 61.998 0.400 1 501 56 50 THR CB C 68.596 0.400 1 502 56 50 THR CG2 C 21.940 0.400 1 503 56 50 THR N N 120.811 0.400 1 504 57 51 TYR H H 9.432 0.020 1 505 57 51 TYR HA H 4.493 0.020 1 506 57 51 TYR HB2 H 2.753 0.020 2 507 57 51 TYR HB3 H 2.542 0.020 2 508 57 51 TYR HD1 H 6.798 0.020 1 509 57 51 TYR HD2 H 6.798 0.020 1 510 57 51 TYR HE1 H 6.458 0.020 1 511 57 51 TYR HE2 H 6.458 0.020 1 512 57 51 TYR C C 174.156 0.400 1 513 57 51 TYR CA C 57.375 0.400 1 514 57 51 TYR CB C 41.895 0.400 1 515 57 51 TYR N N 127.372 0.400 1 516 58 52 GLY H H 9.154 0.020 1 517 58 52 GLY HA2 H 3.543 0.020 2 518 58 52 GLY HA3 H 3.543 0.020 2 519 58 52 GLY C C 172.527 0.400 1 520 58 52 GLY CA C 42.304 0.400 1 521 58 52 GLY N N 108.920 0.400 1 522 59 53 ASN H H 8.877 0.020 1 523 59 53 ASN HA H 4.034 0.020 1 524 59 53 ASN HB2 H 2.643 0.020 2 525 59 53 ASN HB3 H 2.185 0.020 2 526 59 53 ASN C C 176.319 0.400 1 527 59 53 ASN CA C 57.108 0.400 1 528 59 53 ASN CB C 39.672 0.400 1 529 59 53 ASN N N 117.281 0.400 1 530 60 54 GLY H H 8.949 0.020 1 531 60 54 GLY HA2 H 4.222 0.020 2 532 60 54 GLY HA3 H 3.348 0.020 2 533 60 54 GLY C C 174.096 0.400 1 534 60 54 GLY CA C 44.931 0.400 1 535 60 54 GLY N N 114.860 0.400 1 536 61 55 ASP H H 7.991 0.020 1 537 61 55 ASP HA H 4.493 0.020 1 538 61 55 ASP HB2 H 3.150 0.020 2 539 61 55 ASP HB3 H 2.874 0.020 2 540 61 55 ASP C C 174.727 0.400 1 541 61 55 ASP CA C 54.408 0.400 1 542 61 55 ASP CB C 41.780 0.400 1 543 61 55 ASP N N 121.974 0.400 1 544 62 56 SER H H 8.485 0.020 1 545 62 56 SER HA H 4.959 0.020 1 546 62 56 SER HB2 H 3.609 0.020 2 547 62 56 SER HB3 H 3.496 0.020 2 548 62 56 SER C C 173.099 0.400 1 549 62 56 SER CA C 57.154 0.400 1 550 62 56 SER CB C 64.522 0.400 1 551 62 56 SER N N 113.088 0.400 1 552 63 57 LEU H H 9.004 0.020 1 553 63 57 LEU HA H 4.500 0.020 1 554 63 57 LEU HB2 H 1.580 0.020 2 555 63 57 LEU HB3 H 1.060 0.020 2 556 63 57 LEU HD1 H 0.297 0.020 2 557 63 57 LEU HD2 H 0.297 0.020 2 558 63 57 LEU HG H 0.398 0.020 1 559 63 57 LEU C C 175.943 0.400 1 560 63 57 LEU CA C 53.070 0.400 1 561 63 57 LEU CB C 43.800 0.400 1 562 63 57 LEU CD1 C 22.165 0.400 1 563 63 57 LEU CG C 25.932 0.400 1 564 63 57 LEU N N 126.423 0.400 1 565 64 58 ASN H H 8.484 0.020 1 566 64 58 ASN HA H 4.752 0.020 1 567 64 58 ASN HB2 H 3.721 0.020 2 568 64 58 ASN HB3 H 2.601 0.020 2 569 64 58 ASN C C 173.916 0.400 1 570 64 58 ASN CA C 50.587 0.400 1 571 64 58 ASN CB C 35.153 0.400 1 572 64 58 ASN N N 125.624 0.400 1 573 65 59 THR H H 7.747 0.020 1 574 65 59 THR HA H 4.770 0.020 1 575 65 59 THR HB H 3.849 0.020 1 576 65 59 THR HG2 H 0.746 0.020 1 577 65 59 THR C C 177.245 0.400 1 578 65 59 THR CA C 63.213 0.400 1 579 65 59 THR CB C 63.510 0.400 1 580 65 59 THR CG2 C 23.475 0.400 1 581 65 59 THR N N 113.770 0.400 1 582 66 60 GLY H H 8.869 0.020 1 583 66 60 GLY HA2 H 3.839 0.020 2 584 66 60 GLY HA3 H 3.724 0.020 2 585 66 60 GLY C C 173.279 0.400 1 586 66 60 GLY CA C 44.892 0.400 1 587 66 60 GLY N N 114.430 0.400 1 588 67 61 LYS H H 6.376 0.020 1 589 67 61 LYS HA H 4.021 0.020 1 590 67 61 LYS HB2 H 1.446 0.020 2 591 67 61 LYS HB3 H 1.446 0.020 2 592 67 61 LYS HD2 H 1.532 0.020 2 593 67 61 LYS HD3 H 1.532 0.020 2 594 67 61 LYS HE2 H 2.625 0.020 2 595 67 61 LYS HE3 H 2.625 0.020 2 596 67 61 LYS HG2 H 1.352 0.020 2 597 67 61 LYS HG3 H 1.352 0.020 2 598 67 61 LYS C C 176.315 0.400 1 599 67 61 LYS CA C 54.298 0.400 1 600 67 61 LYS CB C 32.200 0.400 1 601 67 61 LYS CD C 28.380 0.400 1 602 67 61 LYS CE C 41.963 0.400 1 603 67 61 LYS CG C 27.824 0.400 1 604 67 61 LYS N N 112.620 0.400 1 605 68 62 LEU H H 7.335 0.020 1 606 68 62 LEU HA H 4.275 0.020 1 607 68 62 LEU HB2 H 1.372 0.020 2 608 68 62 LEU HB3 H 1.372 0.020 2 609 68 62 LEU HD1 H 0.722 0.020 2 610 68 62 LEU HD2 H 0.722 0.020 2 611 68 62 LEU HG H 1.294 0.020 1 612 68 62 LEU C C 176.306 0.400 1 613 68 62 LEU CA C 52.479 0.400 1 614 68 62 LEU CB C 40.600 0.400 1 615 68 62 LEU CD1 C 22.368 0.400 1 616 68 62 LEU CG C 30.205 0.400 1 617 68 62 LEU N N 116.704 0.400 1 618 69 63 LYS H H 8.506 0.020 1 619 69 63 LYS HA H 3.992 0.020 1 620 69 63 LYS HB2 H 1.472 0.020 2 621 69 63 LYS HB3 H 1.472 0.020 2 622 69 63 LYS HD2 H 1.476 0.020 2 623 69 63 LYS HD3 H 1.476 0.020 2 624 69 63 LYS HE2 H 2.873 0.020 2 625 69 63 LYS HE3 H 2.810 0.020 2 626 69 63 LYS HG2 H 1.287 0.020 2 627 69 63 LYS HG3 H 1.190 0.020 2 628 69 63 LYS C C 175.886 0.400 1 629 69 63 LYS CA C 54.986 0.400 1 630 69 63 LYS CB C 32.447 0.400 1 631 69 63 LYS CD C 28.249 0.400 1 632 69 63 LYS CE C 41.903 0.400 1 633 69 63 LYS CG C 24.511 0.400 1 634 69 63 LYS N N 119.841 0.400 1 635 70 64 ASN H H 8.080 0.020 1 636 70 64 ASN HA H 3.839 0.020 1 637 70 64 ASN HB2 H 2.414 0.020 2 638 70 64 ASN HB3 H 2.158 0.020 2 639 70 64 ASN HD21 H 7.456 0.020 2 640 70 64 ASN HD22 H 6.743 0.020 2 641 70 64 ASN C C 174.449 0.400 1 642 70 64 ASN CA C 54.417 0.400 1 643 70 64 ASN CB C 38.129 0.400 1 644 70 64 ASN N N 121.515 0.400 1 645 70 64 ASN ND2 N 112.258 0.400 1 646 71 65 ASP H H 9.218 0.020 1 647 71 65 ASP HA H 3.690 0.020 1 648 71 65 ASP HB2 H 2.749 0.020 2 649 71 65 ASP HB3 H 2.859 0.020 2 650 71 65 ASP C C 173.016 0.400 1 651 71 65 ASP CA C 54.726 0.400 1 652 71 65 ASP CB C 38.534 0.400 1 653 71 65 ASP N N 113.370 0.400 1 654 72 66 LYS H H 6.443 0.020 1 655 72 66 LYS HA H 4.411 0.020 1 656 72 66 LYS HB2 H 1.503 0.020 2 657 72 66 LYS HB3 H 1.234 0.020 2 658 72 66 LYS HE2 H 2.789 0.020 2 659 72 66 LYS HE3 H 2.789 0.020 2 660 72 66 LYS HG2 H 1.115 0.020 2 661 72 66 LYS HG3 H 1.036 0.020 2 662 72 66 LYS C C 174.745 0.400 1 663 72 66 LYS CA C 53.094 0.400 1 664 72 66 LYS CB C 36.099 0.400 1 665 72 66 LYS CE C 39.287 0.400 1 666 72 66 LYS CG C 23.366 0.400 1 667 72 66 LYS N N 113.415 0.400 1 668 73 67 VAL H H 8.679 0.020 1 669 73 67 VAL HA H 4.189 0.020 1 670 73 67 VAL HB H 1.711 0.020 1 671 73 67 VAL HG1 H 0.404 0.020 2 672 73 67 VAL HG2 H 0.404 0.020 2 673 73 67 VAL C C 176.630 0.400 1 674 73 67 VAL CA C 62.135 0.400 1 675 73 67 VAL CB C 32.001 0.400 1 676 73 67 VAL CG1 C 21.219 0.400 1 677 73 67 VAL N N 122.098 0.400 1 678 74 68 SER H H 9.497 0.020 1 679 74 68 SER HA H 4.507 0.020 1 680 74 68 SER HB2 H 3.309 0.020 2 681 74 68 SER HB3 H 3.309 0.020 2 682 74 68 SER C C 172.249 0.400 1 683 74 68 SER CA C 58.323 0.400 1 684 74 68 SER CB C 64.028 0.400 1 685 74 68 SER N N 127.048 0.400 1 686 75 69 ARG H H 7.848 0.020 1 687 75 69 ARG HA H 5.031 0.020 1 688 75 69 ARG HB2 H 1.639 0.020 2 689 75 69 ARG HB3 H 1.639 0.020 2 690 75 69 ARG HD2 H 2.817 0.020 2 691 75 69 ARG HD3 H 2.817 0.020 2 692 75 69 ARG HG2 H 1.321 0.020 2 693 75 69 ARG HG3 H 1.321 0.020 2 694 75 69 ARG C C 173.300 0.400 1 695 75 69 ARG CA C 55.337 0.400 1 696 75 69 ARG CB C 31.871 0.400 1 697 75 69 ARG CD C 41.837 0.400 1 698 75 69 ARG CG C 28.823 0.400 1 699 75 69 ARG N N 122.621 0.400 1 700 76 70 PHE H H 9.246 0.020 1 701 76 70 PHE HA H 4.808 0.020 1 702 76 70 PHE HB2 H 2.937 0.020 2 703 76 70 PHE HB3 H 2.937 0.020 2 704 76 70 PHE HD1 H 7.089 0.020 1 705 76 70 PHE HD2 H 7.089 0.020 1 706 76 70 PHE HE1 H 6.938 0.020 1 707 76 70 PHE HE2 H 6.938 0.020 1 708 76 70 PHE C C 175.788 0.400 1 709 76 70 PHE CA C 55.245 0.400 1 710 76 70 PHE CB C 43.645 0.400 1 711 76 70 PHE N N 118.087 0.400 1 712 77 71 ASP H H 9.144 0.020 1 713 77 71 ASP HA H 5.360 0.020 1 714 77 71 ASP HB2 H 2.807 0.020 2 715 77 71 ASP HB3 H 2.687 0.020 2 716 77 71 ASP C C 176.477 0.400 1 717 77 71 ASP CA C 55.131 0.400 1 718 77 71 ASP CB C 41.301 0.400 1 719 77 71 ASP N N 123.565 0.400 1 720 78 72 PHE H H 9.094 0.020 1 721 78 72 PHE HA H 6.431 0.020 1 722 78 72 PHE HB2 H 2.616 0.020 2 723 78 72 PHE HB3 H 2.961 0.020 2 724 78 72 PHE HD1 H 6.110 0.020 1 725 78 72 PHE HD2 H 6.110 0.020 1 726 78 72 PHE HE1 H 6.440 0.020 1 727 78 72 PHE HE2 H 6.440 0.020 1 728 78 72 PHE HZ H 6.420 0.020 1 729 78 72 PHE C C 174.014 0.400 1 730 78 72 PHE CA C 54.934 0.400 1 731 78 72 PHE CB C 42.491 0.400 1 732 78 72 PHE N N 119.663 0.400 1 733 79 73 ILE H H 8.623 0.020 1 734 79 73 ILE HA H 4.334 0.020 1 735 79 73 ILE HB H 1.588 0.020 1 736 79 73 ILE HD1 H 0.702 0.020 1 737 79 73 ILE HG12 H 1.479 0.020 2 738 79 73 ILE HG13 H 0.924 0.020 2 739 79 73 ILE HG2 H 0.840 0.020 1 740 79 73 ILE C C 173.961 0.400 1 741 79 73 ILE CA C 61.222 0.400 1 742 79 73 ILE CB C 41.918 0.400 1 743 79 73 ILE CD1 C 13.219 0.400 1 744 79 73 ILE CG1 C 27.519 0.400 1 745 79 73 ILE CG2 C 17.993 0.400 1 746 79 73 ILE N N 119.750 0.400 1 747 80 74 ARG H H 9.052 0.020 1 748 80 74 ARG HA H 5.311 0.020 1 749 80 74 ARG HB2 H 1.705 0.020 2 750 80 74 ARG HB3 H 1.705 0.020 2 751 80 74 ARG HD2 H 1.130 0.020 2 752 80 74 ARG HD3 H 1.130 0.020 2 753 80 74 ARG HG2 H 1.545 0.020 2 754 80 74 ARG HG3 H 1.545 0.020 2 755 80 74 ARG C C 174.870 0.400 1 756 80 74 ARG CA C 54.449 0.400 1 757 80 74 ARG CB C 33.740 0.400 1 758 80 74 ARG CD C 41.803 0.400 1 759 80 74 ARG CG C 32.980 0.400 1 760 80 74 ARG N N 128.407 0.400 1 761 81 75 GLN H H 9.304 0.020 1 762 81 75 GLN HA H 5.562 0.020 1 763 81 75 GLN HB2 H 1.753 0.020 2 764 81 75 GLN HB3 H 1.753 0.020 2 765 81 75 GLN HE21 H 6.929 0.020 2 766 81 75 GLN HE22 H 6.546 0.020 2 767 81 75 GLN HG2 H 1.960 0.020 2 768 81 75 GLN HG3 H 1.960 0.020 2 769 81 75 GLN C C 173.678 0.400 1 770 81 75 GLN CA C 53.745 0.400 1 771 81 75 GLN CB C 34.013 0.400 1 772 81 75 GLN CG C 34.094 0.400 1 773 81 75 GLN N N 125.481 0.400 1 774 81 75 GLN NE2 N 109.896 0.400 1 775 82 76 ILE H H 8.592 0.020 1 776 82 76 ILE HA H 4.576 0.020 1 777 82 76 ILE HB H 1.654 0.020 1 778 82 76 ILE HD1 H 0.736 0.020 1 779 82 76 ILE HG12 H 1.346 0.020 2 780 82 76 ILE HG13 H 0.925 0.020 2 781 82 76 ILE HG2 H 0.816 0.020 1 782 82 76 ILE C C 172.511 0.400 1 783 82 76 ILE CA C 59.622 0.400 1 784 82 76 ILE CB C 42.248 0.400 1 785 82 76 ILE CD1 C 13.520 0.400 1 786 82 76 ILE CG1 C 26.697 0.400 1 787 82 76 ILE CG2 C 16.773 0.400 1 788 82 76 ILE N N 115.536 0.400 1 789 83 77 GLU H H 8.433 0.020 1 790 83 77 GLU HA H 4.936 0.020 1 791 83 77 GLU HB2 H 1.787 0.020 2 792 83 77 GLU HB3 H 1.580 0.020 2 793 83 77 GLU HG2 H 1.777 0.020 2 794 83 77 GLU HG3 H 1.722 0.020 2 795 83 77 GLU C C 175.614 0.400 1 796 83 77 GLU CA C 54.812 0.400 1 797 83 77 GLU CB C 30.465 0.400 1 798 83 77 GLU CG C 35.831 0.400 1 799 83 77 GLU N N 124.858 0.400 1 800 84 78 VAL H H 8.879 0.020 1 801 84 78 VAL HA H 4.076 0.020 1 802 84 78 VAL HB H 1.761 0.020 1 803 84 78 VAL HG1 H 0.748 0.020 2 804 84 78 VAL HG2 H 0.748 0.020 2 805 84 78 VAL C C 175.694 0.400 1 806 84 78 VAL CA C 61.382 0.400 1 807 84 78 VAL CB C 34.014 0.400 1 808 84 78 VAL CG1 C 20.542 0.400 1 809 84 78 VAL N N 126.973 0.400 1 810 85 79 ASP H H 9.329 0.020 1 811 85 79 ASP HA H 4.156 0.020 1 812 85 79 ASP HB2 H 2.830 0.020 2 813 85 79 ASP HB3 H 2.462 0.020 2 814 85 79 ASP C C 175.774 0.400 1 815 85 79 ASP CA C 55.125 0.400 1 816 85 79 ASP CB C 38.926 0.400 1 817 85 79 ASP N N 129.387 0.400 1 818 86 80 GLY H H 8.575 0.020 1 819 86 80 GLY HA2 H 3.992 0.020 2 820 86 80 GLY HA3 H 3.507 0.020 2 821 86 80 GLY C C 173.366 0.400 1 822 86 80 GLY CA C 44.759 0.400 1 823 86 80 GLY N N 103.293 0.400 1 824 87 81 GLN H H 7.751 0.020 1 825 87 81 GLN HA H 4.482 0.020 1 826 87 81 GLN HB2 H 1.950 0.020 2 827 87 81 GLN HB3 H 1.833 0.020 2 828 87 81 GLN HG2 H 2.199 0.020 2 829 87 81 GLN HG3 H 2.147 0.020 2 830 87 81 GLN C C 173.874 0.400 1 831 87 81 GLN CA C 53.328 0.400 1 832 87 81 GLN CB C 30.670 0.400 1 833 87 81 GLN CG C 32.852 0.400 1 834 87 81 GLN N N 119.688 0.400 1 835 88 82 LEU H H 8.418 0.020 1 836 88 82 LEU HA H 4.630 0.020 1 837 88 82 LEU HB2 H 1.469 0.020 2 838 88 82 LEU HB3 H 1.116 0.020 2 839 88 82 LEU HD1 H 0.648 0.020 2 840 88 82 LEU HD2 H 0.529 0.020 2 841 88 82 LEU HG H 1.351 0.020 1 842 88 82 LEU C C 176.289 0.400 1 843 88 82 LEU CA C 53.834 0.400 1 844 88 82 LEU CB C 41.737 0.400 1 845 88 82 LEU CD1 C 24.094 0.400 1 846 88 82 LEU CD2 C 22.958 0.400 1 847 88 82 LEU CG C 26.685 0.400 1 848 88 82 LEU N N 123.523 0.400 1 849 89 83 ILE H H 9.146 0.020 1 850 89 83 ILE HA H 4.249 0.020 1 851 89 83 ILE HB H 1.761 0.020 1 852 89 83 ILE HD1 H 0.631 0.020 1 853 89 83 ILE HG12 H 1.264 0.020 2 854 89 83 ILE HG13 H 1.118 0.020 2 855 89 83 ILE HG2 H 0.679 0.020 1 856 89 83 ILE C C 175.698 0.400 1 857 89 83 ILE CA C 59.363 0.400 1 858 89 83 ILE CB C 39.633 0.400 1 859 89 83 ILE CD1 C 11.665 0.400 1 860 89 83 ILE CG1 C 26.940 0.400 1 861 89 83 ILE CG2 C 16.823 0.400 1 862 89 83 ILE N N 127.151 0.400 1 863 90 84 THR H H 8.656 0.020 1 864 90 84 THR HA H 4.203 0.020 1 865 90 84 THR HB H 4.025 0.020 1 866 90 84 THR HG2 H 1.033 0.020 1 867 90 84 THR C C 172.890 0.400 1 868 90 84 THR CA C 62.641 0.400 1 869 90 84 THR CB C 68.634 0.400 1 870 90 84 THR CG2 C 21.650 0.400 1 871 90 84 THR N N 123.099 0.400 1 872 91 85 LEU H H 8.967 0.020 1 873 91 85 LEU HA H 4.256 0.020 1 874 91 85 LEU HB2 H 1.460 0.020 2 875 91 85 LEU HB3 H 1.302 0.020 2 876 91 85 LEU HD1 H 0.675 0.020 2 877 91 85 LEU HD2 H 0.675 0.020 2 878 91 85 LEU C C 177.371 0.400 1 879 91 85 LEU CA C 55.527 0.400 1 880 91 85 LEU CB C 44.315 0.400 1 881 91 85 LEU CD1 C 25.372 0.400 1 882 91 85 LEU N N 125.333 0.400 1 883 92 86 GLU H H 7.503 0.020 1 884 92 86 GLU HA H 5.026 0.020 1 885 92 86 GLU HB2 H 2.119 0.020 2 886 92 86 GLU HB3 H 1.963 0.020 2 887 92 86 GLU HG2 H 2.410 0.020 2 888 92 86 GLU HG3 H 2.500 0.020 2 889 92 86 GLU C C 172.723 0.400 1 890 92 86 GLU CA C 54.670 0.400 1 891 92 86 GLU CB C 33.717 0.400 1 892 92 86 GLU CG C 36.220 0.400 1 893 92 86 GLU N N 116.655 0.400 1 894 93 87 SER H H 8.954 0.020 1 895 93 87 SER HA H 4.245 0.020 1 896 93 87 SER HB2 H 3.893 0.020 2 897 93 87 SER HB3 H 3.443 0.020 2 898 93 87 SER C C 172.763 0.400 1 899 93 87 SER CA C 57.328 0.400 1 900 93 87 SER CB C 65.493 0.400 1 901 93 87 SER N N 117.941 0.400 1 902 94 88 GLY H H 6.932 0.020 1 903 94 88 GLY HA2 H 3.694 0.020 2 904 94 88 GLY HA3 H 3.694 0.020 2 905 94 88 GLY C C 171.117 0.400 1 906 94 88 GLY CA C 46.575 0.400 1 907 94 88 GLY N N 108.625 0.400 1 908 95 89 GLU H H 9.669 0.020 1 909 95 89 GLU HA H 5.642 0.020 1 910 95 89 GLU HB2 H 2.357 0.020 2 911 95 89 GLU HB3 H 2.298 0.020 2 912 95 89 GLU HG2 H 2.154 0.020 2 913 95 89 GLU HG3 H 2.154 0.020 2 914 95 89 GLU C C 173.226 0.400 1 915 95 89 GLU CA C 54.786 0.400 1 916 95 89 GLU CB C 34.334 0.400 1 917 95 89 GLU CG C 39.230 0.400 1 918 95 89 GLU N N 128.231 0.400 1 919 96 90 PHE H H 10.365 0.020 1 920 96 90 PHE HA H 5.048 0.020 1 921 96 90 PHE HB2 H 2.808 0.020 2 922 96 90 PHE HB3 H 2.643 0.020 2 923 96 90 PHE HD1 H 7.043 0.020 1 924 96 90 PHE HD2 H 7.043 0.020 1 925 96 90 PHE HE1 H 6.114 0.020 1 926 96 90 PHE HE2 H 6.114 0.020 1 927 96 90 PHE C C 173.039 0.400 1 928 96 90 PHE CA C 54.616 0.400 1 929 96 90 PHE CB C 42.090 0.400 1 930 96 90 PHE N N 131.583 0.400 1 931 97 91 GLN H H 8.685 0.020 1 932 97 91 GLN HA H 4.959 0.020 1 933 97 91 GLN HB2 H 1.974 0.020 2 934 97 91 GLN HB3 H 1.974 0.020 2 935 97 91 GLN HE21 H 6.443 0.020 2 936 97 91 GLN HE22 H 7.096 0.020 2 937 97 91 GLN HG2 H 1.521 0.020 2 938 97 91 GLN HG3 H 1.521 0.020 2 939 97 91 GLN C C 174.151 0.400 1 940 97 91 GLN CA C 53.174 0.400 1 941 97 91 GLN CB C 28.812 0.400 1 942 97 91 GLN CG C 32.947 0.400 1 943 97 91 GLN N N 126.465 0.400 1 944 97 91 GLN NE2 N 109.534 0.400 1 945 98 92 VAL H H 8.675 0.020 1 946 98 92 VAL HA H 4.569 0.020 1 947 98 92 VAL HB H 1.571 0.020 1 948 98 92 VAL HG1 H 0.407 0.020 2 949 98 92 VAL HG2 H 0.467 0.020 2 950 98 92 VAL C C 173.802 0.400 1 951 98 92 VAL CA C 59.715 0.400 1 952 98 92 VAL CB C 35.074 0.400 1 953 98 92 VAL CG1 C 21.541 0.400 1 954 98 92 VAL CG2 C 19.965 0.400 1 955 98 92 VAL N N 118.841 0.400 1 956 99 93 TYR H H 8.896 0.020 1 957 99 93 TYR HA H 4.940 0.020 1 958 99 93 TYR HB2 H 2.785 0.020 2 959 99 93 TYR HB3 H 2.785 0.020 2 960 99 93 TYR HD1 H 6.438 0.020 1 961 99 93 TYR HD2 H 6.438 0.020 1 962 99 93 TYR HE1 H 6.321 0.020 1 963 99 93 TYR HE2 H 6.321 0.020 1 964 99 93 TYR C C 173.330 0.400 1 965 99 93 TYR CA C 56.948 0.400 1 966 99 93 TYR CB C 40.780 0.400 1 967 99 93 TYR N N 127.563 0.400 1 968 100 94 LYS H H 5.813 0.020 1 969 100 94 LYS HA H 4.248 0.020 1 970 100 94 LYS HB2 H 1.485 0.020 2 971 100 94 LYS HB3 H 1.485 0.020 2 972 100 94 LYS HD2 H 1.436 0.020 2 973 100 94 LYS HD3 H 1.436 0.020 2 974 100 94 LYS HG2 H 1.349 0.020 2 975 100 94 LYS HG3 H 1.349 0.020 2 976 100 94 LYS CA C 55.660 0.400 1 977 100 94 LYS CB C 35.870 0.400 1 978 100 94 LYS N N 128.378 0.400 1 979 101 95 GLN H H 8.438 0.020 1 980 101 95 GLN HA H 5.028 0.020 1 981 101 95 GLN HB2 H 2.268 0.020 2 982 101 95 GLN HB3 H 2.268 0.020 2 983 101 95 GLN HG2 H 2.132 0.020 2 984 101 95 GLN HG3 H 2.132 0.020 2 985 101 95 GLN C C 174.080 0.400 1 986 101 95 GLN CA C 54.043 0.400 1 987 101 95 GLN CB C 27.209 0.400 1 988 101 95 GLN CG C 36.220 0.400 1 989 101 95 GLN N N 125.809 0.400 1 990 102 96 SER H H 9.057 0.020 1 991 102 96 SER HA H 3.041 0.020 1 992 102 96 SER HB2 H 3.676 0.020 2 993 102 96 SER HB3 H 3.676 0.020 2 994 102 96 SER CA C 62.985 0.400 1 995 102 96 SER CB C 63.242 0.400 1 996 102 96 SER N N 117.650 0.400 1 997 103 97 HIS H H 10.115 0.020 1 998 103 97 HIS HA H 4.406 0.020 1 999 103 97 HIS HB2 H 2.230 0.020 2 1000 103 97 HIS HB3 H 2.230 0.020 2 1001 103 97 HIS HD2 H 6.517 0.020 1 1002 103 97 HIS HE1 H 7.730 0.020 1 1003 103 97 HIS CA C 53.809 0.400 1 1004 103 97 HIS CB C 30.329 0.400 1 1005 103 97 HIS N N 118.385 0.400 1 1006 104 98 SER H H 7.241 0.020 1 1007 104 98 SER HA H 4.406 0.020 1 1008 104 98 SER HB2 H 2.817 0.020 2 1009 104 98 SER HB3 H 2.817 0.020 2 1010 104 98 SER CA C 56.712 0.400 1 1011 104 98 SER CB C 65.461 0.400 1 1012 104 98 SER N N 112.298 0.400 1 1013 105 99 ALA H H 8.418 0.020 1 1014 105 99 ALA HA H 4.753 0.020 1 1015 105 99 ALA HB H 1.085 0.020 1 1016 105 99 ALA C C 173.181 0.400 1 1017 105 99 ALA CA C 51.363 0.400 1 1018 105 99 ALA CB C 22.271 0.400 1 1019 105 99 ALA N N 116.790 0.400 1 1020 106 100 LEU H H 8.376 0.020 1 1021 106 100 LEU HA H 5.549 0.020 1 1022 106 100 LEU HB2 H 1.714 0.020 2 1023 106 100 LEU HB3 H 1.714 0.020 2 1024 106 100 LEU HD1 H 0.997 0.020 2 1025 106 100 LEU HD2 H 0.934 0.020 2 1026 106 100 LEU HG H 1.731 0.020 1 1027 106 100 LEU C C 175.338 0.400 1 1028 106 100 LEU CA C 53.753 0.400 1 1029 106 100 LEU CB C 46.393 0.400 1 1030 106 100 LEU CD1 C 26.811 0.400 1 1031 106 100 LEU CD2 C 27.424 0.400 1 1032 106 100 LEU CG C 28.049 0.400 1 1033 106 100 LEU N N 115.214 0.400 1 1034 107 101 THR H H 8.685 0.020 1 1035 107 101 THR HA H 5.287 0.020 1 1036 107 101 THR HB H 3.387 0.020 1 1037 107 101 THR HG2 H 0.717 0.020 1 1038 107 101 THR C C 172.493 0.400 1 1039 107 101 THR CA C 57.069 0.400 1 1040 107 101 THR CB C 71.308 0.400 1 1041 107 101 THR CG2 C 22.765 0.400 1 1042 107 101 THR N N 109.441 0.400 1 1043 108 102 ALA H H 8.459 0.020 1 1044 108 102 ALA HA H 4.366 0.020 1 1045 108 102 ALA HB H 0.951 0.020 1 1046 108 102 ALA C C 173.439 0.400 1 1047 108 102 ALA CA C 51.015 0.400 1 1048 108 102 ALA CB C 23.424 0.400 1 1049 108 102 ALA N N 120.716 0.400 1 1050 109 103 PHE H H 8.510 0.020 1 1051 109 103 PHE HA H 4.715 0.020 1 1052 109 103 PHE HB2 H 2.449 0.020 2 1053 109 103 PHE HB3 H 2.449 0.020 2 1054 109 103 PHE HD1 H 6.046 0.020 1 1055 109 103 PHE HD2 H 6.046 0.020 1 1056 109 103 PHE HE1 H 6.530 0.020 1 1057 109 103 PHE HE2 H 6.530 0.020 1 1058 109 103 PHE HZ H 7.440 0.020 1 1059 109 103 PHE C C 174.173 0.400 1 1060 109 103 PHE CA C 56.640 0.400 1 1061 109 103 PHE CB C 41.926 0.400 1 1062 109 103 PHE N N 115.041 0.400 1 1063 110 104 GLN H H 9.832 0.020 1 1064 110 104 GLN HA H 5.226 0.020 1 1065 110 104 GLN HB2 H 2.265 0.020 2 1066 110 104 GLN HB3 H 2.265 0.020 2 1067 110 104 GLN HE21 H 7.417 0.020 2 1068 110 104 GLN HE22 H 7.155 0.020 2 1069 110 104 GLN HG2 H 2.500 0.020 2 1070 110 104 GLN HG3 H 2.500 0.020 2 1071 110 104 GLN C C 175.186 0.400 1 1072 110 104 GLN CA C 53.213 0.400 1 1073 110 104 GLN CB C 29.161 0.400 1 1074 110 104 GLN CG C 35.450 0.400 1 1075 110 104 GLN N N 124.526 0.400 1 1076 110 104 GLN NE2 N 116.046 0.400 1 1077 111 105 THR H H 9.566 0.020 1 1078 111 105 THR HA H 4.186 0.020 1 1079 111 105 THR HB H 4.039 0.020 1 1080 111 105 THR HG2 H 1.502 0.020 1 1081 111 105 THR C C 174.538 0.400 1 1082 111 105 THR CA C 66.408 0.400 1 1083 111 105 THR CB C 69.385 0.400 1 1084 111 105 THR CG2 C 22.652 0.400 1 1085 111 105 THR N N 126.760 0.400 1 1086 112 106 GLU H H 9.303 0.020 1 1087 112 106 GLU HA H 4.811 0.020 1 1088 112 106 GLU HB2 H 2.120 0.020 2 1089 112 106 GLU HB3 H 2.120 0.020 2 1090 112 106 GLU HG2 H 2.438 0.020 2 1091 112 106 GLU HG3 H 2.438 0.020 2 1092 112 106 GLU C C 177.397 0.400 1 1093 112 106 GLU CA C 56.227 0.400 1 1094 112 106 GLU CB C 31.283 0.400 1 1095 112 106 GLU CG C 42.610 0.400 1 1096 112 106 GLU N N 121.685 0.400 1 1097 113 107 GLN H H 7.954 0.020 1 1098 113 107 GLN HA H 5.233 0.020 1 1099 113 107 GLN HB2 H 2.033 0.020 2 1100 113 107 GLN HB3 H 1.971 0.020 2 1101 113 107 GLN HG2 H 2.187 0.020 2 1102 113 107 GLN HG3 H 2.187 0.020 2 1103 113 107 GLN C C 173.999 0.400 1 1104 113 107 GLN CA C 53.837 0.400 1 1105 113 107 GLN CB C 32.543 0.400 1 1106 113 107 GLN CG C 33.430 0.400 1 1107 113 107 GLN N N 117.612 0.400 1 1108 114 108 ILE H H 8.969 0.020 1 1109 114 108 ILE HA H 4.907 0.020 1 1110 114 108 ILE HB H 1.845 0.020 1 1111 114 108 ILE HD1 H 0.759 0.020 1 1112 114 108 ILE HG12 H 1.411 0.020 2 1113 114 108 ILE HG13 H 1.411 0.020 2 1114 114 108 ILE HG2 H 0.886 0.020 1 1115 114 108 ILE C C 174.089 0.400 1 1116 114 108 ILE CA C 58.954 0.400 1 1117 114 108 ILE CB C 42.799 0.400 1 1118 114 108 ILE CD1 C 13.341 0.400 1 1119 114 108 ILE CG1 C 26.629 0.400 1 1120 114 108 ILE CG2 C 19.103 0.400 1 1121 114 108 ILE N N 115.049 0.400 1 1122 115 109 GLN H H 7.421 0.020 1 1123 115 109 GLN HA H 4.405 0.020 1 1124 115 109 GLN HB2 H 2.137 0.020 2 1125 115 109 GLN HB3 H 1.969 0.020 2 1126 115 109 GLN HE21 H 7.402 0.020 2 1127 115 109 GLN HE22 H 6.407 0.020 2 1128 115 109 GLN HG2 H 2.389 0.020 2 1129 115 109 GLN HG3 H 2.227 0.020 2 1130 115 109 GLN C C 175.654 0.400 1 1131 115 109 GLN CA C 56.086 0.400 1 1132 115 109 GLN CB C 28.483 0.400 1 1133 115 109 GLN CG C 33.053 0.400 1 1134 115 109 GLN N N 121.959 0.400 1 1135 115 109 GLN NE2 N 110.381 0.400 1 1136 116 110 ASP H H 8.569 0.020 1 1137 116 110 ASP HA H 4.377 0.020 1 1138 116 110 ASP HB2 H 2.309 0.020 2 1139 116 110 ASP HB3 H 3.022 0.020 2 1140 116 110 ASP C C 176.662 0.400 1 1141 116 110 ASP CA C 53.511 0.400 1 1142 116 110 ASP CB C 41.187 0.400 1 1143 116 110 ASP N N 125.621 0.400 1 1144 117 111 SER H H 8.445 0.020 1 1145 117 111 SER HA H 4.024 0.020 1 1146 117 111 SER HB2 H 3.836 0.020 2 1147 117 111 SER HB3 H 3.836 0.020 2 1148 117 111 SER C C 174.783 0.400 1 1149 117 111 SER CA C 60.782 0.400 1 1150 117 111 SER CB C 62.560 0.400 1 1151 117 111 SER N N 120.732 0.400 1 1152 118 112 GLU H H 8.246 0.020 1 1153 118 112 GLU HA H 4.044 0.020 1 1154 118 112 GLU HB2 H 1.650 0.020 2 1155 118 112 GLU HB3 H 1.650 0.020 2 1156 118 112 GLU HG2 H 2.038 0.020 2 1157 118 112 GLU HG3 H 1.878 0.020 2 1158 118 112 GLU C C 175.899 0.400 1 1159 118 112 GLU CA C 56.016 0.400 1 1160 118 112 GLU CB C 29.853 0.400 1 1161 118 112 GLU CG C 35.638 0.400 1 1162 118 112 GLU N N 119.367 0.400 1 1163 119 113 HIS H H 7.418 0.020 1 1164 119 113 HIS HA H 4.607 0.020 1 1165 119 113 HIS HB2 H 2.975 0.020 2 1166 119 113 HIS HB3 H 2.912 0.020 2 1167 119 113 HIS HD2 H 7.150 0.020 1 1168 119 113 HIS HE1 H 7.700 0.020 1 1169 119 113 HIS C C 173.527 0.400 1 1170 119 113 HIS CA C 54.515 0.400 1 1171 119 113 HIS CB C 28.667 0.400 1 1172 119 113 HIS N N 117.287 0.400 1 1173 120 114 SER H H 8.398 0.020 1 1174 120 114 SER HA H 4.183 0.020 1 1175 120 114 SER HB2 H 3.777 0.020 2 1176 120 114 SER HB3 H 3.777 0.020 2 1177 120 114 SER C C 175.690 0.400 1 1178 120 114 SER CA C 59.149 0.400 1 1179 120 114 SER CB C 62.820 0.400 1 1180 120 114 SER N N 116.771 0.400 1 1181 121 115 GLY H H 8.733 0.020 1 1182 121 115 GLY HA2 H 4.052 0.020 2 1183 121 115 GLY HA3 H 3.724 0.020 2 1184 121 115 GLY C C 173.540 0.400 1 1185 121 115 GLY CA C 44.692 0.400 1 1186 121 115 GLY N N 112.197 0.400 1 1187 122 116 LYS H H 7.796 0.020 1 1188 122 116 LYS HA H 4.465 0.020 1 1189 122 116 LYS HB2 H 1.813 0.020 2 1190 122 116 LYS HB3 H 1.763 0.020 2 1191 122 116 LYS HD2 H 1.479 0.020 2 1192 122 116 LYS HD3 H 1.308 0.020 2 1193 122 116 LYS HG2 H 1.254 0.020 2 1194 122 116 LYS HG3 H 1.199 0.020 2 1195 122 116 LYS C C 175.090 0.400 1 1196 122 116 LYS CA C 55.122 0.400 1 1197 122 116 LYS CB C 33.861 0.400 1 1198 122 116 LYS CD C 27.696 0.400 1 1199 122 116 LYS CG C 24.579 0.400 1 1200 122 116 LYS N N 120.212 0.400 1 1201 123 117 MET H H 8.348 0.020 1 1202 123 117 MET HA H 5.082 0.020 1 1203 123 117 MET HB2 H 1.760 0.020 2 1204 123 117 MET HB3 H 1.817 0.020 2 1205 123 117 MET HE H 1.473 0.020 1 1206 123 117 MET HG2 H 2.449 0.020 2 1207 123 117 MET HG3 H 2.239 0.020 2 1208 123 117 MET C C 176.210 0.400 1 1209 123 117 MET CA C 52.928 0.400 1 1210 123 117 MET CB C 33.841 0.400 1 1211 123 117 MET CE C 16.160 0.400 1 1212 123 117 MET CG C 30.582 0.400 1 1213 123 117 MET N N 119.755 0.400 1 1214 124 118 VAL H H 9.242 0.020 1 1215 124 118 VAL HA H 4.469 0.020 1 1216 124 118 VAL HB H 1.965 0.020 1 1217 124 118 VAL HG1 H 0.776 0.020 2 1218 124 118 VAL HG2 H 0.776 0.020 2 1219 124 118 VAL C C 173.967 0.400 1 1220 124 118 VAL CA C 59.056 0.400 1 1221 124 118 VAL CB C 34.376 0.400 1 1222 124 118 VAL CG1 C 19.452 0.400 1 1223 124 118 VAL N N 118.546 0.400 1 1224 125 119 ALA H H 8.327 0.020 1 1225 125 119 ALA HA H 4.624 0.020 1 1226 125 119 ALA HB H 1.273 0.020 1 1227 125 119 ALA C C 177.165 0.400 1 1228 125 119 ALA CA C 52.043 0.400 1 1229 125 119 ALA CB C 18.232 0.400 1 1230 125 119 ALA N N 125.947 0.400 1 1231 126 120 LYS H H 7.604 0.020 1 1232 126 120 LYS HA H 4.046 0.020 1 1233 126 120 LYS HB2 H 1.476 0.020 2 1234 126 120 LYS HB3 H 1.476 0.020 2 1235 126 120 LYS HD2 H 1.991 0.020 2 1236 126 120 LYS HD3 H 1.991 0.020 2 1237 126 120 LYS HE2 H 2.843 0.020 2 1238 126 120 LYS HE3 H 2.843 0.020 2 1239 126 120 LYS HG2 H 1.549 0.020 2 1240 126 120 LYS HG3 H 1.549 0.020 2 1241 126 120 LYS C C 172.631 0.400 1 1242 126 120 LYS CA C 56.023 0.400 1 1243 126 120 LYS CB C 34.482 0.400 1 1244 126 120 LYS CD C 30.578 0.400 1 1245 126 120 LYS CE C 41.740 0.400 1 1246 126 120 LYS CG C 28.890 0.400 1 1247 126 120 LYS N N 126.149 0.400 1 1248 127 121 ARG H H 8.308 0.020 1 1249 127 121 ARG HA H 4.901 0.020 1 1250 127 121 ARG HB2 H 1.525 0.020 2 1251 127 121 ARG HB3 H 1.525 0.020 2 1252 127 121 ARG HG2 H 1.643 0.020 2 1253 127 121 ARG HG3 H 1.643 0.020 2 1254 127 121 ARG C C 176.253 0.400 1 1255 127 121 ARG CA C 55.564 0.400 1 1256 127 121 ARG CB C 28.273 0.400 1 1257 127 121 ARG CG C 27.906 0.400 1 1258 127 121 ARG N N 122.760 0.400 1 1259 128 122 GLN H H 7.529 0.020 1 1260 128 122 GLN HA H 4.541 0.020 1 1261 128 122 GLN HB2 H 2.023 0.020 2 1262 128 122 GLN HB3 H 1.874 0.020 2 1263 128 122 GLN HE21 H 7.260 0.020 2 1264 128 122 GLN HE22 H 6.808 0.020 2 1265 128 122 GLN HG2 H 2.184 0.020 2 1266 128 122 GLN HG3 H 2.184 0.020 2 1267 128 122 GLN C C 172.163 0.400 1 1268 128 122 GLN CA C 54.218 0.400 1 1269 128 122 GLN CB C 32.064 0.400 1 1270 128 122 GLN CG C 33.680 0.400 1 1271 128 122 GLN N N 121.022 0.400 1 1272 128 122 GLN NE2 N 110.547 0.400 1 1273 129 123 PHE H H 8.620 0.020 1 1274 129 123 PHE HA H 6.040 0.020 1 1275 129 123 PHE HB2 H 3.141 0.020 2 1276 129 123 PHE HB3 H 2.992 0.020 2 1277 129 123 PHE HD1 H 7.086 0.020 1 1278 129 123 PHE HD2 H 7.086 0.020 1 1279 129 123 PHE HE1 H 6.750 0.020 1 1280 129 123 PHE HE2 H 6.750 0.020 1 1281 129 123 PHE C C 174.530 0.400 1 1282 129 123 PHE CA C 56.026 0.400 1 1283 129 123 PHE CB C 42.143 0.400 1 1284 129 123 PHE N N 125.540 0.400 1 1285 130 124 ARG H H 8.018 0.020 1 1286 130 124 ARG HA H 4.366 0.020 1 1287 130 124 ARG HB2 H 1.451 0.020 2 1288 130 124 ARG HB3 H 1.451 0.020 2 1289 130 124 ARG HD2 H 2.762 0.020 2 1290 130 124 ARG HD3 H 2.762 0.020 2 1291 130 124 ARG HG2 H 1.501 0.020 2 1292 130 124 ARG HG3 H 1.501 0.020 2 1293 130 124 ARG C C 172.139 0.400 1 1294 130 124 ARG CA C 53.422 0.400 1 1295 130 124 ARG CB C 32.310 0.400 1 1296 130 124 ARG CD C 42.012 0.400 1 1297 130 124 ARG CG C 27.040 0.400 1 1298 130 124 ARG N N 125.264 0.400 1 1299 131 125 ILE H H 8.462 0.020 1 1300 131 125 ILE HA H 3.883 0.020 1 1301 131 125 ILE HB H 1.842 0.020 1 1302 131 125 ILE HD1 H 0.380 0.020 1 1303 131 125 ILE HG12 H 1.118 0.020 2 1304 131 125 ILE HG13 H 1.118 0.020 2 1305 131 125 ILE HG2 H 0.787 0.020 1 1306 131 125 ILE C C 175.487 0.400 1 1307 131 125 ILE CA C 58.339 0.400 1 1308 131 125 ILE CB C 35.673 0.400 1 1309 131 125 ILE CD1 C 8.490 0.400 1 1310 131 125 ILE CG1 C 26.970 0.400 1 1311 131 125 ILE CG2 C 17.460 0.400 1 1312 131 125 ILE N N 121.887 0.400 1 1313 132 126 GLY H H 8.814 0.020 1 1314 132 126 GLY HA2 H 4.062 0.020 2 1315 132 126 GLY HA3 H 4.062 0.020 2 1316 132 126 GLY C C 171.583 0.400 1 1317 132 126 GLY CA C 44.157 0.400 1 1318 132 126 GLY N N 115.675 0.400 1 1319 133 127 ASP H H 7.914 0.020 1 1320 133 127 ASP HA H 4.584 0.020 1 1321 133 127 ASP HB2 H 2.351 0.020 2 1322 133 127 ASP HB3 H 2.109 0.020 2 1323 133 127 ASP C C 174.132 0.400 1 1324 133 127 ASP CA C 54.822 0.400 1 1325 133 127 ASP CB C 45.407 0.400 1 1326 133 127 ASP N N 123.737 0.400 1 1327 134 128 ILE H H 8.258 0.020 1 1328 134 128 ILE HA H 4.392 0.020 1 1329 134 128 ILE HB H 1.829 0.020 1 1330 134 128 ILE HD1 H 0.777 0.020 1 1331 134 128 ILE HG12 H 0.939 0.020 2 1332 134 128 ILE HG13 H 0.939 0.020 2 1333 134 128 ILE HG2 H 0.733 0.020 1 1334 134 128 ILE C C 174.799 0.400 1 1335 134 128 ILE CA C 61.596 0.400 1 1336 134 128 ILE CB C 37.549 0.400 1 1337 134 128 ILE CD1 C 14.146 0.400 1 1338 134 128 ILE CG1 C 26.567 0.400 1 1339 134 128 ILE CG2 C 17.680 0.400 1 1340 134 128 ILE N N 119.105 0.400 1 1341 135 129 ALA H H 8.607 0.020 1 1342 135 129 ALA HA H 4.757 0.020 1 1343 135 129 ALA HB H 1.394 0.020 1 1344 135 129 ALA C C 173.358 0.400 1 1345 135 129 ALA CA C 50.608 0.400 1 1346 135 129 ALA CB C 23.348 0.400 1 1347 135 129 ALA N N 129.336 0.400 1 1348 136 130 GLY H H 7.514 0.020 1 1349 136 130 GLY HA2 H 3.551 0.020 2 1350 136 130 GLY HA3 H 4.422 0.020 2 1351 136 130 GLY C C 172.609 0.400 1 1352 136 130 GLY CA C 44.315 0.400 1 1353 136 130 GLY N N 101.232 0.400 1 1354 137 131 GLU H H 8.225 0.020 1 1355 137 131 GLU HA H 4.540 0.020 1 1356 137 131 GLU HB2 H 2.127 0.020 2 1357 137 131 GLU HB3 H 2.043 0.020 2 1358 137 131 GLU HG2 H 2.207 0.020 2 1359 137 131 GLU HG3 H 2.207 0.020 2 1360 137 131 GLU C C 174.864 0.400 1 1361 137 131 GLU CA C 53.120 0.400 1 1362 137 131 GLU CB C 28.254 0.400 1 1363 137 131 GLU CG C 34.286 0.400 1 1364 137 131 GLU N N 121.002 0.400 1 1365 138 132 HIS H H 8.054 0.020 1 1366 138 132 HIS HA H 4.771 0.020 1 1367 138 132 HIS HB2 H 3.433 0.020 2 1368 138 132 HIS HB3 H 3.433 0.020 2 1369 138 132 HIS HD2 H 7.111 0.020 1 1370 138 132 HIS HE1 H 8.150 0.020 1 1371 138 132 HIS C C 175.411 0.400 1 1372 138 132 HIS CA C 57.942 0.400 1 1373 138 132 HIS CB C 27.710 0.400 1 1374 138 132 HIS N N 124.204 0.400 1 1375 139 133 THR H H 9.056 0.020 1 1376 139 133 THR HA H 3.864 0.020 1 1377 139 133 THR HB H 3.193 0.020 1 1378 139 133 THR HG2 H 1.038 0.020 1 1379 139 133 THR C C 174.178 0.400 1 1380 139 133 THR CA C 63.225 0.400 1 1381 139 133 THR CB C 68.127 0.400 1 1382 139 133 THR CG2 C 22.099 0.400 1 1383 139 133 THR N N 125.345 0.400 1 1384 140 134 SER H H 8.834 0.020 1 1385 140 134 SER HA H 4.560 0.020 1 1386 140 134 SER HB2 H 4.001 0.020 2 1387 140 134 SER HB3 H 3.643 0.020 2 1388 140 134 SER C C 176.713 0.400 1 1389 140 134 SER CA C 57.961 0.400 1 1390 140 134 SER CB C 63.030 0.400 1 1391 140 134 SER N N 121.791 0.400 1 1392 141 135 PHE H H 9.597 0.020 1 1393 141 135 PHE HA H 3.953 0.020 1 1394 141 135 PHE HB2 H 2.598 0.020 2 1395 141 135 PHE HB3 H 2.514 0.020 2 1396 141 135 PHE HD1 H 6.818 0.020 1 1397 141 135 PHE HD2 H 6.818 0.020 1 1398 141 135 PHE HE1 H 7.130 0.020 1 1399 141 135 PHE HE2 H 7.130 0.020 1 1400 141 135 PHE C C 175.375 0.400 1 1401 141 135 PHE CA C 61.339 0.400 1 1402 141 135 PHE CB C 39.394 0.400 1 1403 141 135 PHE N N 128.822 0.400 1 1404 142 136 ASP H H 8.017 0.020 1 1405 142 136 ASP HA H 4.352 0.020 1 1406 142 136 ASP HB2 H 2.832 0.020 2 1407 142 136 ASP HB3 H 2.346 0.020 2 1408 142 136 ASP C C 175.358 0.400 1 1409 142 136 ASP CA C 55.223 0.400 1 1410 142 136 ASP CB C 40.968 0.400 1 1411 142 136 ASP N N 113.108 0.400 1 1412 143 137 LYS H H 7.340 0.020 1 1413 143 137 LYS HA H 4.439 0.020 1 1414 143 137 LYS HB2 H 2.069 0.020 2 1415 143 137 LYS HB3 H 1.457 0.020 2 1416 143 137 LYS HD2 H 1.827 0.020 2 1417 143 137 LYS HD3 H 1.591 0.020 2 1418 143 137 LYS HE2 H 2.828 0.020 2 1419 143 137 LYS HE3 H 2.828 0.020 2 1420 143 137 LYS HG2 H 1.276 0.020 2 1421 143 137 LYS HG3 H 1.173 0.020 2 1422 143 137 LYS C C 175.571 0.400 1 1423 143 137 LYS CA C 54.096 0.400 1 1424 143 137 LYS CB C 32.545 0.400 1 1425 143 137 LYS CD C 30.224 0.400 1 1426 143 137 LYS CE C 42.622 0.400 1 1427 143 137 LYS CG C 24.595 0.400 1 1428 143 137 LYS N N 117.716 0.400 1 1429 144 138 LEU H H 6.698 0.020 1 1430 144 138 LEU HA H 3.903 0.020 1 1431 144 138 LEU HB2 H 1.117 0.020 2 1432 144 138 LEU HB3 H 1.253 0.020 2 1433 144 138 LEU HD1 H 0.620 0.020 2 1434 144 138 LEU HD2 H 0.720 0.020 2 1435 144 138 LEU HG H 1.822 0.020 1 1436 144 138 LEU C C 174.123 0.400 1 1437 144 138 LEU CA C 52.843 0.400 1 1438 144 138 LEU CB C 40.993 0.400 1 1439 144 138 LEU CD1 C 26.268 0.400 1 1440 144 138 LEU CD2 C 22.135 0.400 1 1441 144 138 LEU CG C 25.694 0.400 1 1442 144 138 LEU N N 120.536 0.400 1 1443 145 139 PRO HA H 4.040 0.020 1 1444 145 139 PRO HB2 H 1.896 0.020 2 1445 145 139 PRO HB3 H 0.929 0.020 2 1446 145 139 PRO HD2 H 3.177 0.020 2 1447 145 139 PRO HD3 H 2.270 0.020 2 1448 145 139 PRO HG2 H 0.668 0.020 2 1449 145 139 PRO HG3 H 1.354 0.020 2 1450 145 139 PRO C C 172.700 0.400 1 1451 145 139 PRO CA C 62.654 0.400 1 1452 145 139 PRO CB C 30.086 0.400 1 1453 145 139 PRO CD C 49.582 0.400 1 1454 145 139 PRO CG C 26.760 0.400 1 1455 146 140 GLU H H 8.343 0.020 1 1456 146 140 GLU HA H 3.970 0.020 1 1457 146 140 GLU HB2 H 1.944 0.020 2 1458 146 140 GLU HB3 H 1.743 0.020 2 1459 146 140 GLU HG2 H 2.139 0.020 2 1460 146 140 GLU HG3 H 2.096 0.020 2 1461 146 140 GLU C C 176.009 0.400 1 1462 146 140 GLU CA C 56.119 0.400 1 1463 146 140 GLU CB C 30.086 0.400 1 1464 146 140 GLU CG C 35.858 0.400 1 1465 146 140 GLU N N 119.063 0.400 1 1466 147 141 GLY H H 7.241 0.020 1 1467 147 141 GLY HA2 H 3.918 0.020 2 1468 147 141 GLY HA3 H 3.814 0.020 2 1469 147 141 GLY C C 171.657 0.400 1 1470 147 141 GLY CA C 43.929 0.400 1 1471 147 141 GLY N N 104.270 0.400 1 1472 148 142 GLY H H 8.241 0.020 1 1473 148 142 GLY HA2 H 3.710 0.020 2 1474 148 142 GLY HA3 H 4.350 0.020 2 1475 148 142 GLY C C 171.767 0.400 1 1476 148 142 GLY CA C 43.649 0.400 1 1477 148 142 GLY N N 106.996 0.400 1 1478 149 143 ARG H H 8.214 0.020 1 1479 149 143 ARG HA H 5.376 0.020 1 1480 149 143 ARG HB2 H 1.546 0.020 2 1481 149 143 ARG HB3 H 1.546 0.020 2 1482 149 143 ARG HD2 H 2.987 0.020 2 1483 149 143 ARG HD3 H 2.987 0.020 2 1484 149 143 ARG HG2 H 1.409 0.020 2 1485 149 143 ARG HG3 H 1.296 0.020 2 1486 149 143 ARG C C 174.981 0.400 1 1487 149 143 ARG CA C 54.235 0.400 1 1488 149 143 ARG CB C 32.988 0.400 1 1489 149 143 ARG CD C 42.410 0.400 1 1490 149 143 ARG CG C 26.809 0.400 1 1491 149 143 ARG N N 117.762 0.400 1 1492 150 144 ALA H H 9.030 0.020 1 1493 150 144 ALA HA H 4.730 0.020 1 1494 150 144 ALA HB H 1.218 0.020 1 1495 150 144 ALA C C 175.012 0.400 1 1496 150 144 ALA CA C 50.732 0.400 1 1497 150 144 ALA CB C 23.448 0.400 1 1498 150 144 ALA N N 126.630 0.400 1 1499 151 145 THR H H 8.560 0.020 1 1500 151 145 THR HA H 4.846 0.020 1 1501 151 145 THR HB H 3.763 0.020 1 1502 151 145 THR HG2 H 1.026 0.020 1 1503 151 145 THR C C 171.870 0.400 1 1504 151 145 THR CA C 61.997 0.400 1 1505 151 145 THR CB C 69.746 0.400 1 1506 151 145 THR CG2 C 21.229 0.400 1 1507 151 145 THR N N 117.942 0.400 1 1508 152 146 TYR H H 10.008 0.020 1 1509 152 146 TYR HA H 4.580 0.020 1 1510 152 146 TYR HB2 H 2.722 0.020 2 1511 152 146 TYR HB3 H 2.395 0.020 2 1512 152 146 TYR HD1 H 6.903 0.020 1 1513 152 146 TYR HD2 H 6.903 0.020 1 1514 152 146 TYR HE1 H 6.540 0.020 1 1515 152 146 TYR HE2 H 6.540 0.020 1 1516 152 146 TYR C C 174.627 0.400 1 1517 152 146 TYR CA C 55.835 0.400 1 1518 152 146 TYR CB C 40.094 0.400 1 1519 152 146 TYR N N 126.097 0.400 1 1520 153 147 ARG H H 8.860 0.020 1 1521 153 147 ARG HA H 5.404 0.020 1 1522 153 147 ARG HB2 H 1.899 0.020 2 1523 153 147 ARG HB3 H 1.725 0.020 2 1524 153 147 ARG HD2 H 3.135 0.020 2 1525 153 147 ARG HD3 H 3.135 0.020 2 1526 153 147 ARG HG2 H 1.629 0.020 2 1527 153 147 ARG HG3 H 1.629 0.020 2 1528 153 147 ARG C C 177.446 0.400 1 1529 153 147 ARG CA C 54.024 0.400 1 1530 153 147 ARG CB C 33.539 0.400 1 1531 153 147 ARG CD C 42.572 0.400 1 1532 153 147 ARG CG C 27.910 0.400 1 1533 153 147 ARG N N 121.042 0.400 1 1534 154 148 GLY H H 8.916 0.020 1 1535 154 148 GLY HA2 H 4.816 0.020 2 1536 154 148 GLY HA3 H 4.422 0.020 2 1537 154 148 GLY C C 173.831 0.400 1 1538 154 148 GLY CA C 46.752 0.400 1 1539 154 148 GLY N N 114.154 0.400 1 1540 155 149 THR H H 9.063 0.020 1 1541 155 149 THR HA H 4.711 0.020 1 1542 155 149 THR HB H 3.177 0.020 1 1543 155 149 THR HG2 H 0.858 0.020 1 1544 155 149 THR C C 170.370 0.400 1 1545 155 149 THR CA C 62.316 0.400 1 1546 155 149 THR CB C 72.596 0.400 1 1547 155 149 THR CG2 C 21.092 0.400 1 1548 155 149 THR N N 126.410 0.400 1 1549 156 150 ALA H H 7.091 0.020 1 1550 156 150 ALA HA H 5.289 0.020 1 1551 156 150 ALA HB H 0.824 0.020 1 1552 156 150 ALA C C 173.965 0.400 1 1553 156 150 ALA CA C 48.843 0.400 1 1554 156 150 ALA CB C 22.573 0.400 1 1555 156 150 ALA N N 127.540 0.400 1 1556 157 151 PHE H H 8.536 0.020 1 1557 157 151 PHE HA H 5.442 0.020 1 1558 157 151 PHE HB2 H 3.233 0.020 2 1559 157 151 PHE HB3 H 2.484 0.020 2 1560 157 151 PHE HD1 H 6.868 0.020 1 1561 157 151 PHE HD2 H 6.868 0.020 1 1562 157 151 PHE HE1 H 6.699 0.020 1 1563 157 151 PHE HE2 H 6.699 0.020 1 1564 157 151 PHE C C 171.891 0.400 1 1565 157 151 PHE CA C 53.282 0.400 1 1566 157 151 PHE CB C 41.020 0.400 1 1567 157 151 PHE N N 117.013 0.400 1 1568 158 152 GLY H H 8.548 0.020 1 1569 158 152 GLY HA2 H 4.003 0.020 2 1570 158 152 GLY HA3 H 3.124 0.020 2 1571 158 152 GLY C C 173.148 0.400 1 1572 158 152 GLY CA C 42.630 0.400 1 1573 158 152 GLY N N 108.356 0.400 1 1574 159 153 SER H H 7.610 0.020 1 1575 159 153 SER HA H 3.421 0.020 1 1576 159 153 SER HB2 H 3.566 0.020 2 1577 159 153 SER HB3 H 3.566 0.020 2 1578 159 153 SER C C 176.057 0.400 1 1579 159 153 SER CA C 58.787 0.400 1 1580 159 153 SER CB C 61.886 0.400 1 1581 159 153 SER N N 115.173 0.400 1 1582 160 154 ASP H H 9.894 0.020 1 1583 160 154 ASP HA H 4.168 0.020 1 1584 160 154 ASP HB2 H 2.858 0.020 2 1585 160 154 ASP HB3 H 2.696 0.020 2 1586 160 154 ASP C C 175.191 0.400 1 1587 160 154 ASP CA C 55.398 0.400 1 1588 160 154 ASP CB C 39.212 0.400 1 1589 160 154 ASP N N 124.828 0.400 1 1590 161 155 ASP H H 7.520 0.020 1 1591 161 155 ASP HA H 4.568 0.020 1 1592 161 155 ASP HB2 H 2.494 0.020 2 1593 161 155 ASP HB3 H 2.291 0.020 2 1594 161 155 ASP C C 172.658 0.400 1 1595 161 155 ASP CA C 54.342 0.400 1 1596 161 155 ASP CB C 40.619 0.400 1 1597 161 155 ASP N N 116.749 0.400 1 1598 162 156 ALA H H 8.544 0.020 1 1599 162 156 ALA HA H 4.916 0.020 1 1600 162 156 ALA HB H 1.255 0.020 1 1601 162 156 ALA C C 177.708 0.400 1 1602 162 156 ALA CA C 49.878 0.400 1 1603 162 156 ALA CB C 17.473 0.400 1 1604 162 156 ALA N N 128.246 0.400 1 1605 163 157 GLY H H 8.406 0.020 1 1606 163 157 GLY HA2 H 4.286 0.020 2 1607 163 157 GLY HA3 H 3.894 0.020 2 1608 163 157 GLY C C 174.344 0.400 1 1609 163 157 GLY CA C 45.049 0.400 1 1610 163 157 GLY N N 106.545 0.400 1 1611 164 158 GLY H H 7.128 0.020 1 1612 164 158 GLY HA2 H 4.118 0.020 2 1613 164 158 GLY HA3 H 3.641 0.020 2 1614 164 158 GLY C C 173.903 0.400 1 1615 164 158 GLY CA C 45.225 0.400 1 1616 164 158 GLY N N 106.404 0.400 1 1617 165 159 LYS H H 9.647 0.020 1 1618 165 159 LYS HA H 5.052 0.020 1 1619 165 159 LYS HB2 H 1.689 0.020 2 1620 165 159 LYS HB3 H 1.689 0.020 2 1621 165 159 LYS HD2 H 1.560 0.020 2 1622 165 159 LYS HD3 H 1.560 0.020 2 1623 165 159 LYS HG2 H 1.452 0.020 2 1624 165 159 LYS HG3 H 1.290 0.020 2 1625 165 159 LYS C C 174.390 0.400 1 1626 165 159 LYS CA C 53.501 0.400 1 1627 165 159 LYS CB C 34.622 0.400 1 1628 165 159 LYS CD C 29.100 0.400 1 1629 165 159 LYS CG C 23.716 0.400 1 1630 165 159 LYS N N 123.930 0.400 1 1631 166 160 LEU H H 7.706 0.020 1 1632 166 160 LEU HA H 4.873 0.020 1 1633 166 160 LEU HB2 H 1.060 0.020 2 1634 166 160 LEU HB3 H 1.060 0.020 2 1635 166 160 LEU HD1 H 0.721 0.020 2 1636 166 160 LEU HD2 H 0.602 0.020 2 1637 166 160 LEU HG H 0.328 0.020 1 1638 166 160 LEU C C 174.825 0.400 1 1639 166 160 LEU CA C 52.677 0.400 1 1640 166 160 LEU CB C 44.629 0.400 1 1641 166 160 LEU CD1 C 25.253 0.400 1 1642 166 160 LEU CD2 C 23.819 0.400 1 1643 166 160 LEU CG C 26.831 0.400 1 1644 166 160 LEU N N 126.271 0.400 1 1645 167 161 THR H H 8.374 0.020 1 1646 167 161 THR HA H 4.949 0.020 1 1647 167 161 THR HB H 3.777 0.020 1 1648 167 161 THR HG2 H 1.060 0.020 1 1649 167 161 THR C C 172.102 0.400 1 1650 167 161 THR CA C 61.761 0.400 1 1651 167 161 THR CB C 70.169 0.400 1 1652 167 161 THR CG2 C 20.318 0.400 1 1653 167 161 THR N N 122.977 0.400 1 1654 168 162 TYR H H 9.174 0.020 1 1655 168 162 TYR HA H 4.766 0.020 1 1656 168 162 TYR HB2 H 2.409 0.020 2 1657 168 162 TYR HB3 H 2.215 0.020 2 1658 168 162 TYR HD1 H 6.568 0.020 1 1659 168 162 TYR HD2 H 6.568 0.020 1 1660 168 162 TYR HE1 H 7.265 0.020 1 1661 168 162 TYR HE2 H 7.265 0.020 1 1662 168 162 TYR C C 172.249 0.400 1 1663 168 162 TYR CA C 58.162 0.400 1 1664 168 162 TYR CB C 43.746 0.400 1 1665 168 162 TYR N N 128.112 0.400 1 1666 169 163 THR H H 8.711 0.020 1 1667 169 163 THR HA H 5.402 0.020 1 1668 169 163 THR HB H 3.588 0.020 1 1669 169 163 THR HG2 H 0.891 0.020 1 1670 169 163 THR C C 172.520 0.400 1 1671 169 163 THR CA C 60.804 0.400 1 1672 169 163 THR CB C 70.818 0.400 1 1673 169 163 THR CG2 C 20.364 0.400 1 1674 169 163 THR N N 124.549 0.400 1 1675 170 164 ILE H H 8.927 0.020 1 1676 170 164 ILE HA H 4.313 0.020 1 1677 170 164 ILE HB H 1.214 0.020 1 1678 170 164 ILE HD1 H 0.554 0.020 1 1679 170 164 ILE HG12 H 0.618 0.020 2 1680 170 164 ILE HG13 H 0.618 0.020 2 1681 170 164 ILE HG2 H -0.330 0.020 1 1682 170 164 ILE C C 173.105 0.400 1 1683 170 164 ILE CA C 60.595 0.400 1 1684 170 164 ILE CB C 41.274 0.400 1 1685 170 164 ILE CD1 C 11.821 0.400 1 1686 170 164 ILE CG1 C 27.113 0.400 1 1687 170 164 ILE CG2 C 16.191 0.400 1 1688 170 164 ILE N N 123.685 0.400 1 1689 171 165 ASP H H 8.372 0.020 1 1690 171 165 ASP HA H 4.750 0.020 1 1691 171 165 ASP HB2 H 2.796 0.020 2 1692 171 165 ASP HB3 H 2.308 0.020 2 1693 171 165 ASP C C 177.213 0.400 1 1694 171 165 ASP CA C 51.669 0.400 1 1695 171 165 ASP CB C 41.730 0.400 1 1696 171 165 ASP N N 125.168 0.400 1 1697 172 166 PHE H H 8.968 0.020 1 1698 172 166 PHE HA H 3.879 0.020 1 1699 172 166 PHE HB2 H 2.990 0.020 2 1700 172 166 PHE HB3 H 2.375 0.020 2 1701 172 166 PHE HD1 H 6.951 0.020 1 1702 172 166 PHE HD2 H 6.951 0.020 1 1703 172 166 PHE HE1 H 7.066 0.020 1 1704 172 166 PHE HE2 H 7.066 0.020 1 1705 172 166 PHE HZ H 7.320 0.020 1 1706 172 166 PHE C C 176.940 0.400 1 1707 172 166 PHE CA C 61.543 0.400 1 1708 172 166 PHE CB C 37.424 0.400 1 1709 172 166 PHE N N 123.597 0.400 1 1710 173 167 ALA H H 8.266 0.020 1 1711 173 167 ALA HA H 4.322 0.020 1 1712 173 167 ALA HB H 1.528 0.020 1 1713 173 167 ALA C C 178.888 0.400 1 1714 173 167 ALA CA C 54.458 0.400 1 1715 173 167 ALA CB C 17.591 0.400 1 1716 173 167 ALA N N 122.113 0.400 1 1717 174 168 ALA H H 7.405 0.020 1 1718 174 168 ALA HA H 4.096 0.020 1 1719 174 168 ALA HB H 1.143 0.020 1 1720 174 168 ALA C C 176.605 0.400 1 1721 174 168 ALA CA C 51.225 0.400 1 1722 174 168 ALA CB C 18.307 0.400 1 1723 174 168 ALA N N 118.760 0.400 1 1724 175 169 LYS H H 7.906 0.020 1 1725 175 169 LYS HA H 3.391 0.020 1 1726 175 169 LYS HB2 H 2.204 0.020 2 1727 175 169 LYS HB3 H 1.898 0.020 2 1728 175 169 LYS HD2 H 1.607 0.020 2 1729 175 169 LYS HD3 H 1.607 0.020 2 1730 175 169 LYS HG2 H 1.504 0.020 2 1731 175 169 LYS HG3 H 1.504 0.020 2 1732 175 169 LYS C C 174.608 0.400 1 1733 175 169 LYS CA C 57.049 0.400 1 1734 175 169 LYS CB C 30.051 0.400 1 1735 175 169 LYS CD C 29.461 0.400 1 1736 175 169 LYS CG C 25.778 0.400 1 1737 175 169 LYS N N 114.394 0.400 1 1738 176 170 GLN H H 7.629 0.020 1 1739 176 170 GLN HA H 5.414 0.020 1 1740 176 170 GLN HB2 H 1.725 0.020 2 1741 176 170 GLN HB3 H 1.664 0.020 2 1742 176 170 GLN HE21 H 7.590 0.020 2 1743 176 170 GLN HE22 H 6.596 0.020 2 1744 176 170 GLN HG2 H 2.181 0.020 2 1745 176 170 GLN HG3 H 2.181 0.020 2 1746 176 170 GLN C C 174.325 0.400 1 1747 176 170 GLN CA C 54.393 0.400 1 1748 176 170 GLN CB C 34.771 0.400 1 1749 176 170 GLN CG C 34.176 0.400 1 1750 176 170 GLN N N 116.433 0.400 1 1751 176 170 GLN NE2 N 111.912 0.400 1 1752 177 171 GLY H H 8.854 0.020 1 1753 177 171 GLY HA2 H 5.205 0.020 2 1754 177 171 GLY HA3 H 3.526 0.020 2 1755 177 171 GLY C C 170.842 0.400 1 1756 177 171 GLY CA C 44.621 0.400 1 1757 177 171 GLY N N 110.189 0.400 1 1758 178 172 ASN H H 7.637 0.020 1 1759 178 172 ASN HA H 4.224 0.020 1 1760 178 172 ASN HB2 H 2.714 0.020 2 1761 178 172 ASN HB3 H 2.498 0.020 2 1762 178 172 ASN HD21 H 7.301 0.020 2 1763 178 172 ASN HD22 H 6.542 0.020 2 1764 178 172 ASN C C 171.546 0.400 1 1765 178 172 ASN CA C 53.729 0.400 1 1766 178 172 ASN CB C 41.543 0.400 1 1767 178 172 ASN N N 112.667 0.400 1 1768 178 172 ASN ND2 N 114.078 0.400 1 1769 179 173 GLY H H 9.103 0.020 1 1770 179 173 GLY HA2 H 4.491 0.020 2 1771 179 173 GLY HA3 H 4.084 0.020 2 1772 179 173 GLY C C 172.400 0.400 1 1773 179 173 GLY CA C 47.199 0.400 1 1774 179 173 GLY N N 106.686 0.400 1 1775 180 174 LYS H H 9.179 0.020 1 1776 180 174 LYS HA H 4.821 0.020 1 1777 180 174 LYS HB2 H 1.815 0.020 2 1778 180 174 LYS HB3 H 1.599 0.020 2 1779 180 174 LYS HD2 H 1.370 0.020 2 1780 180 174 LYS HD3 H 1.370 0.020 2 1781 180 174 LYS HE2 H 2.714 0.020 2 1782 180 174 LYS HE3 H 2.714 0.020 2 1783 180 174 LYS HG2 H 1.162 0.020 2 1784 180 174 LYS HG3 H 0.894 0.020 2 1785 180 174 LYS C C 172.518 0.400 1 1786 180 174 LYS CA C 56.617 0.400 1 1787 180 174 LYS CB C 35.373 0.400 1 1788 180 174 LYS CD C 28.498 0.400 1 1789 180 174 LYS CE C 41.593 0.400 1 1790 180 174 LYS CG C 23.543 0.400 1 1791 180 174 LYS N N 121.816 0.400 1 1792 181 175 ILE H H 8.351 0.020 1 1793 181 175 ILE HA H 4.581 0.020 1 1794 181 175 ILE HB H 1.687 0.020 1 1795 181 175 ILE HD1 H 0.564 0.020 1 1796 181 175 ILE HG2 H 0.733 0.020 1 1797 181 175 ILE C C 173.997 0.400 1 1798 181 175 ILE CA C 60.490 0.400 1 1799 181 175 ILE CB C 39.573 0.400 1 1800 181 175 ILE CD1 C 14.784 0.400 1 1801 181 175 ILE CG2 C 17.918 0.400 1 1802 181 175 ILE N N 123.400 0.400 1 1803 182 176 GLU H H 8.492 0.020 1 1804 182 176 GLU HA H 4.471 0.020 1 1805 182 176 GLU HB2 H 1.351 0.020 2 1806 182 176 GLU HB3 H 1.351 0.020 2 1807 182 176 GLU HG2 H 1.885 0.020 2 1808 182 176 GLU HG3 H 1.677 0.020 2 1809 182 176 GLU C C 175.392 0.400 1 1810 182 176 GLU CA C 53.410 0.400 1 1811 182 176 GLU CB C 35.479 0.400 1 1812 182 176 GLU CG C 37.101 0.400 1 1813 182 176 GLU N N 122.287 0.400 1 1814 183 177 HIS H H 8.431 0.020 1 1815 183 177 HIS HA H 3.975 0.020 1 1816 183 177 HIS HB2 H 3.418 0.020 2 1817 183 177 HIS HB3 H 3.341 0.020 2 1818 183 177 HIS HD2 H 6.715 0.020 1 1819 183 177 HIS HE1 H 7.760 0.020 1 1820 183 177 HIS C C 176.008 0.400 1 1821 183 177 HIS CA C 57.533 0.400 1 1822 183 177 HIS CB C 27.362 0.400 1 1823 183 177 HIS N N 109.605 0.400 1 1824 184 178 LEU H H 9.603 0.020 1 1825 184 178 LEU HA H 4.276 0.020 1 1826 184 178 LEU HB2 H 1.568 0.020 2 1827 184 178 LEU HB3 H 1.120 0.020 2 1828 184 178 LEU HD1 H 0.485 0.020 2 1829 184 178 LEU HD2 H 0.530 0.020 2 1830 184 178 LEU HG H 1.225 0.020 1 1831 184 178 LEU C C 178.805 0.400 1 1832 184 178 LEU CA C 56.034 0.400 1 1833 184 178 LEU CB C 39.882 0.400 1 1834 184 178 LEU CD1 C 28.260 0.400 1 1835 184 178 LEU CD2 C 22.366 0.400 1 1836 184 178 LEU CG C 31.257 0.400 1 1837 184 178 LEU N N 124.374 0.400 1 1838 185 179 LYS H H 10.002 0.020 1 1839 185 179 LYS HA H 3.682 0.020 1 1840 185 179 LYS HB2 H 1.653 0.020 2 1841 185 179 LYS HB3 H 1.583 0.020 2 1842 185 179 LYS HD2 H 1.583 0.020 2 1843 185 179 LYS HD3 H 1.501 0.020 2 1844 185 179 LYS HE2 H 2.915 0.020 2 1845 185 179 LYS HE3 H 2.915 0.020 2 1846 185 179 LYS HG2 H 1.550 0.020 2 1847 185 179 LYS HG3 H 1.393 0.020 2 1848 185 179 LYS C C 177.660 0.400 1 1849 185 179 LYS CA C 57.721 0.400 1 1850 185 179 LYS CB C 31.949 0.400 1 1851 185 179 LYS CD C 28.954 0.400 1 1852 185 179 LYS CE C 42.030 0.400 1 1853 185 179 LYS CG C 24.835 0.400 1 1854 185 179 LYS N N 122.880 0.400 1 1855 186 180 SER H H 7.262 0.020 1 1856 186 180 SER HA H 4.672 0.020 1 1857 186 180 SER HB2 H 3.642 0.020 2 1858 186 180 SER HB3 H 3.562 0.020 2 1859 186 180 SER C C 173.086 0.400 1 1860 186 180 SER CA C 54.576 0.400 1 1861 186 180 SER CB C 62.715 0.400 1 1862 186 180 SER N N 115.187 0.400 1 1863 187 181 PRO HA H 3.956 0.020 1 1864 187 181 PRO HB2 H 2.311 0.020 2 1865 187 181 PRO HB3 H 1.873 0.020 2 1866 187 181 PRO HD2 H 4.101 0.020 2 1867 187 181 PRO HD3 H 3.763 0.020 2 1868 187 181 PRO HG2 H 1.995 0.020 2 1869 187 181 PRO HG3 H 1.921 0.020 2 1870 187 181 PRO CA C 65.359 0.400 1 1871 187 181 PRO CB C 32.061 0.400 1 1872 187 181 PRO CD C 50.726 0.400 1 1873 187 181 PRO CG C 27.192 0.400 1 1874 188 182 GLU H H 8.076 0.020 1 1875 188 182 GLU HA H 3.011 0.020 1 1876 188 182 GLU HB2 H 1.663 0.020 2 1877 188 182 GLU HB3 H 1.376 0.020 2 1878 188 182 GLU HG2 H 1.978 0.020 2 1879 188 182 GLU HG3 H 1.748 0.020 2 1880 188 182 GLU C C 173.944 0.400 1 1881 188 182 GLU CA C 56.597 0.400 1 1882 188 182 GLU CB C 29.581 0.400 1 1883 188 182 GLU CG C 36.590 0.400 1 1884 188 182 GLU N N 113.034 0.400 1 1885 189 183 LEU H H 7.126 0.020 1 1886 189 183 LEU HA H 3.970 0.020 1 1887 189 183 LEU HB2 H 1.385 0.020 2 1888 189 183 LEU HB3 H 1.385 0.020 2 1889 189 183 LEU HD1 H 0.334 0.020 2 1890 189 183 LEU HD2 H 0.716 0.020 2 1891 189 183 LEU HG H 1.239 0.020 1 1892 189 183 LEU C C 175.597 0.400 1 1893 189 183 LEU CA C 53.849 0.400 1 1894 189 183 LEU CB C 41.152 0.400 1 1895 189 183 LEU CD1 C 20.744 0.400 1 1896 189 183 LEU CD2 C 24.710 0.400 1 1897 189 183 LEU CG C 26.330 0.400 1 1898 189 183 LEU N N 112.896 0.400 1 1899 190 184 ASN H H 6.952 0.020 1 1900 190 184 ASN HA H 4.596 0.020 1 1901 190 184 ASN HB2 H 2.743 0.020 2 1902 190 184 ASN HB3 H 2.669 0.020 2 1903 190 184 ASN HD21 H 7.080 0.020 2 1904 190 184 ASN HD22 H 7.080 0.020 2 1905 190 184 ASN C C 175.694 0.400 1 1906 190 184 ASN CA C 53.200 0.400 1 1907 190 184 ASN CB C 36.466 0.400 1 1908 190 184 ASN N N 117.865 0.400 1 1909 190 184 ASN ND2 N 112.366 0.400 1 1910 191 185 VAL H H 7.178 0.020 1 1911 191 185 VAL HA H 4.480 0.020 1 1912 191 185 VAL HB H 2.161 0.020 1 1913 191 185 VAL HG1 H 0.642 0.020 2 1914 191 185 VAL HG2 H 0.444 0.020 2 1915 191 185 VAL C C 174.874 0.400 1 1916 191 185 VAL CA C 59.753 0.400 1 1917 191 185 VAL CB C 33.035 0.400 1 1918 191 185 VAL CG1 C 21.939 0.400 1 1919 191 185 VAL CG2 C 17.258 0.400 1 1920 191 185 VAL N N 113.276 0.400 1 1921 192 186 ASP H H 8.827 0.020 1 1922 192 186 ASP HA H 4.779 0.020 1 1923 192 186 ASP HB2 H 2.410 0.020 2 1924 192 186 ASP HB3 H 2.410 0.020 2 1925 192 186 ASP C C 174.919 0.400 1 1926 192 186 ASP CA C 54.058 0.400 1 1927 192 186 ASP CB C 41.635 0.400 1 1928 192 186 ASP N N 118.111 0.400 1 1929 193 187 LEU H H 8.375 0.020 1 1930 193 187 LEU HA H 4.146 0.020 1 1931 193 187 LEU HB2 H 0.948 0.020 2 1932 193 187 LEU HB3 H -0.061 0.020 2 1933 193 187 LEU HD1 H 0.202 0.020 2 1934 193 187 LEU HD2 H -0.026 0.020 2 1935 193 187 LEU CA C 52.331 0.400 1 1936 193 187 LEU CB C 38.187 0.400 1 1937 193 187 LEU CD1 C 25.433 0.400 1 1938 193 187 LEU CD2 C 22.628 0.400 1 1939 193 187 LEU N N 123.130 0.400 1 1940 194 188 ALA H H 8.225 0.020 1 1941 194 188 ALA HA H 4.098 0.020 1 1942 194 188 ALA HB H 1.396 0.020 1 1943 194 188 ALA C C 176.239 0.400 1 1944 194 188 ALA CA C 52.498 0.400 1 1945 194 188 ALA CB C 20.030 0.400 1 1946 194 188 ALA N N 126.289 0.400 1 1947 195 189 ALA H H 8.275 0.020 1 1948 195 189 ALA HA H 4.862 0.020 1 1949 195 189 ALA HB H 1.102 0.020 1 1950 195 189 ALA C C 178.131 0.400 1 1951 195 189 ALA CA C 51.822 0.400 1 1952 195 189 ALA CB C 17.367 0.400 1 1953 195 189 ALA N N 122.010 0.400 1 1954 196 190 ALA H H 8.823 0.020 1 1955 196 190 ALA HA H 4.634 0.020 1 1956 196 190 ALA HB H 1.211 0.020 1 1957 196 190 ALA C C 175.141 0.400 1 1958 196 190 ALA CA C 50.420 0.400 1 1959 196 190 ALA CB C 23.461 0.400 1 1960 196 190 ALA N N 126.018 0.400 1 1961 197 191 ASP H H 8.365 0.020 1 1962 197 191 ASP HA H 5.160 0.020 1 1963 197 191 ASP HB2 H 2.653 0.020 2 1964 197 191 ASP HB3 H 2.343 0.020 2 1965 197 191 ASP C C 176.028 0.400 1 1966 197 191 ASP CA C 54.034 0.400 1 1967 197 191 ASP CB C 41.691 0.400 1 1968 197 191 ASP N N 118.646 0.400 1 1969 198 192 ILE H H 7.915 0.020 1 1970 198 192 ILE HA H 4.315 0.020 1 1971 198 192 ILE HB H 1.488 0.020 1 1972 198 192 ILE HD1 H 0.599 0.020 1 1973 198 192 ILE HG12 H 1.118 0.020 2 1974 198 192 ILE HG13 H 1.118 0.020 2 1975 198 192 ILE HG2 H 0.934 0.020 1 1976 198 192 ILE C C 174.684 0.400 1 1977 198 192 ILE CA C 60.951 0.400 1 1978 198 192 ILE CB C 41.989 0.400 1 1979 198 192 ILE CD1 C 14.860 0.400 1 1980 198 192 ILE CG1 C 27.082 0.400 1 1981 198 192 ILE CG2 C 19.160 0.400 1 1982 198 192 ILE N N 119.664 0.400 1 1983 199 193 LYS H H 9.175 0.020 1 1984 199 193 LYS HA H 4.530 0.020 1 1985 199 193 LYS HB2 H 1.538 0.020 2 1986 199 193 LYS HB3 H 1.358 0.020 2 1987 199 193 LYS HD2 H 1.622 0.020 2 1988 199 193 LYS HD3 H 1.622 0.020 2 1989 199 193 LYS HE2 H 2.880 0.020 2 1990 199 193 LYS HE3 H 2.880 0.020 2 1991 199 193 LYS HG2 H 1.226 0.020 2 1992 199 193 LYS HG3 H 1.226 0.020 2 1993 199 193 LYS C C 172.639 0.400 1 1994 199 193 LYS CA C 53.361 0.400 1 1995 199 193 LYS CB C 34.758 0.400 1 1996 199 193 LYS CD C 27.720 0.400 1 1997 199 193 LYS CE C 41.808 0.400 1 1998 199 193 LYS CG C 24.540 0.400 1 1999 199 193 LYS N N 127.122 0.400 1 2000 201 195 ASP H H 8.390 0.020 1 2001 201 195 ASP HA H 4.550 0.020 1 2002 201 195 ASP HB2 H 2.505 0.020 2 2003 201 195 ASP HB3 H 3.111 0.020 2 2004 201 195 ASP C C 179.300 0.400 1 2005 201 195 ASP CA C 51.354 0.400 1 2006 201 195 ASP CB C 40.324 0.400 1 2007 201 195 ASP N N 123.239 0.400 1 2008 202 196 GLY HA2 H 3.718 0.020 2 2009 202 196 GLY HA3 H 3.437 0.020 2 2010 202 196 GLY CA C 46.527 0.400 1 2011 203 197 LYS H H 7.740 0.020 1 2012 203 197 LYS HA H 4.118 0.020 1 2013 203 197 LYS HB2 H 0.585 0.020 2 2014 203 197 LYS HB3 H 1.159 0.020 2 2015 203 197 LYS HD2 H 1.418 0.020 2 2016 203 197 LYS HD3 H 1.322 0.020 2 2017 203 197 LYS HG2 H 1.077 0.020 2 2018 203 197 LYS HG3 H 1.024 0.020 2 2019 203 197 LYS C C 174.941 0.400 1 2020 203 197 LYS CA C 55.054 0.400 1 2021 203 197 LYS CB C 31.192 0.400 1 2022 203 197 LYS CD C 28.511 0.400 1 2023 203 197 LYS CG C 24.903 0.400 1 2024 203 197 LYS N N 120.305 0.400 1 2025 204 198 ARG H H 8.059 0.020 1 2026 204 198 ARG HA H 3.441 0.020 1 2027 204 198 ARG HB2 H 2.148 0.020 2 2028 204 198 ARG HB3 H 2.098 0.020 2 2029 204 198 ARG HD2 H 3.168 0.020 2 2030 204 198 ARG HD3 H 3.168 0.020 2 2031 204 198 ARG HG2 H 1.567 0.020 2 2032 204 198 ARG HG3 H 1.567 0.020 2 2033 204 198 ARG C C 175.152 0.400 1 2034 204 198 ARG CA C 56.911 0.400 1 2035 204 198 ARG CB C 26.584 0.400 1 2036 204 198 ARG CD C 41.704 0.400 1 2037 204 198 ARG CG C 26.688 0.400 1 2038 204 198 ARG N N 111.796 0.400 1 2039 205 199 HIS H H 8.531 0.020 1 2040 205 199 HIS HA H 4.812 0.020 1 2041 205 199 HIS HB2 H 3.141 0.020 2 2042 205 199 HIS HB3 H 2.818 0.020 2 2043 205 199 HIS HD2 H 6.539 0.020 1 2044 205 199 HIS HE1 H 7.600 0.020 1 2045 205 199 HIS C C 174.866 0.400 1 2046 205 199 HIS CA C 53.700 0.400 1 2047 205 199 HIS CB C 27.838 0.400 1 2048 205 199 HIS N N 120.255 0.400 1 2049 206 200 ALA H H 8.492 0.020 1 2050 206 200 ALA HA H 4.615 0.020 1 2051 206 200 ALA HB H 1.209 0.020 1 2052 206 200 ALA C C 175.840 0.400 1 2053 206 200 ALA CA C 52.247 0.400 1 2054 206 200 ALA CB C 19.838 0.400 1 2055 206 200 ALA N N 123.237 0.400 1 2056 207 201 VAL H H 9.174 0.020 1 2057 207 201 VAL HA H 4.976 0.020 1 2058 207 201 VAL HB H 2.048 0.020 1 2059 207 201 VAL HG1 H 0.768 0.020 2 2060 207 201 VAL HG2 H 0.710 0.020 2 2061 207 201 VAL C C 173.390 0.400 1 2062 207 201 VAL CA C 60.775 0.400 1 2063 207 201 VAL CB C 35.488 0.400 1 2064 207 201 VAL CG1 C 21.234 0.400 1 2065 207 201 VAL CG2 C 18.978 0.400 1 2066 207 201 VAL N N 123.250 0.400 1 2067 208 202 ILE H H 8.887 0.020 1 2068 208 202 ILE HA H 4.312 0.020 1 2069 208 202 ILE HB H 1.351 0.020 1 2070 208 202 ILE HD1 H 0.673 0.020 1 2071 208 202 ILE HG12 H 1.221 0.020 2 2072 208 202 ILE HG13 H 0.709 0.020 2 2073 208 202 ILE HG2 H 0.652 0.020 1 2074 208 202 ILE C C 174.670 0.400 1 2075 208 202 ILE CA C 60.815 0.400 1 2076 208 202 ILE CB C 41.576 0.400 1 2077 208 202 ILE CD1 C 13.538 0.400 1 2078 208 202 ILE CG1 C 27.053 0.400 1 2079 208 202 ILE CG2 C 18.094 0.400 1 2080 208 202 ILE N N 122.699 0.400 1 2081 209 203 SER H H 8.416 0.020 1 2082 209 203 SER HA H 4.913 0.020 1 2083 209 203 SER HB2 H 3.611 0.020 2 2084 209 203 SER HB3 H 3.531 0.020 2 2085 209 203 SER C C 172.984 0.400 1 2086 209 203 SER CA C 55.676 0.400 1 2087 209 203 SER CB C 64.355 0.400 1 2088 209 203 SER N N 122.067 0.400 1 2089 210 204 GLY H H 7.292 0.020 1 2090 210 204 GLY HA2 H 4.432 0.020 2 2091 210 204 GLY HA3 H 3.352 0.020 2 2092 210 204 GLY C C 172.482 0.400 1 2093 210 204 GLY CA C 45.167 0.400 1 2094 210 204 GLY N N 110.488 0.400 1 2095 211 205 SER H H 8.652 0.020 1 2096 211 205 SER HA H 5.027 0.020 1 2097 211 205 SER HB2 H 3.836 0.020 2 2098 211 205 SER HB3 H 3.637 0.020 2 2099 211 205 SER C C 172.852 0.400 1 2100 211 205 SER CA C 58.806 0.400 1 2101 211 205 SER CB C 64.384 0.400 1 2102 211 205 SER N N 116.497 0.400 1 2103 212 206 VAL H H 7.400 0.020 1 2104 212 206 VAL HA H 5.032 0.020 1 2105 212 206 VAL HB H 1.620 0.020 1 2106 212 206 VAL HG1 H 0.678 0.020 2 2107 212 206 VAL HG2 H 0.609 0.020 2 2108 212 206 VAL C C 174.500 0.400 1 2109 212 206 VAL CA C 58.764 0.400 1 2110 212 206 VAL CB C 30.512 0.400 1 2111 212 206 VAL CG1 C 24.409 0.400 1 2112 212 206 VAL CG2 C 20.672 0.400 1 2113 212 206 VAL N N 117.101 0.400 1 2114 213 207 LEU H H 8.961 0.020 1 2115 213 207 LEU HA H 5.312 0.020 1 2116 213 207 LEU HB2 H 1.594 0.020 2 2117 213 207 LEU HB3 H 1.035 0.020 2 2118 213 207 LEU HD1 H 0.733 0.020 2 2119 213 207 LEU HD2 H 0.581 0.020 2 2120 213 207 LEU HG H 1.290 0.020 1 2121 213 207 LEU C C 175.520 0.400 1 2122 213 207 LEU CA C 52.630 0.400 1 2123 213 207 LEU CB C 45.567 0.400 1 2124 213 207 LEU CD1 C 25.329 0.400 1 2125 213 207 LEU CD2 C 22.933 0.400 1 2126 213 207 LEU CG C 27.322 0.400 1 2127 213 207 LEU N N 124.185 0.400 1 2128 214 208 TYR H H 8.836 0.020 1 2129 214 208 TYR HA H 4.766 0.020 1 2130 214 208 TYR HB2 H 2.700 0.020 2 2131 214 208 TYR HB3 H 2.752 0.020 2 2132 214 208 TYR HD1 H 6.896 0.020 1 2133 214 208 TYR HD2 H 6.896 0.020 1 2134 214 208 TYR HE1 H 6.700 0.020 1 2135 214 208 TYR HE2 H 6.700 0.020 1 2136 214 208 TYR C C 175.964 0.400 1 2137 214 208 TYR CA C 56.943 0.400 1 2138 214 208 TYR CB C 41.736 0.400 1 2139 214 208 TYR N N 120.202 0.400 1 2140 215 209 ASN H H 9.292 0.020 1 2141 215 209 ASN HA H 4.001 0.020 1 2142 215 209 ASN HB2 H 2.212 0.020 2 2143 215 209 ASN HB3 H 2.749 0.020 2 2144 215 209 ASN HD21 H 7.011 0.020 2 2145 215 209 ASN HD22 H 6.476 0.020 2 2146 215 209 ASN C C 174.336 0.400 1 2147 215 209 ASN CA C 53.923 0.400 1 2148 215 209 ASN CB C 36.468 0.400 1 2149 215 209 ASN N N 129.805 0.400 1 2150 215 209 ASN ND2 N 111.590 0.400 1 2151 216 210 GLN H H 8.614 0.020 1 2152 216 210 GLN HA H 3.453 0.020 1 2153 216 210 GLN HB2 H 2.286 0.020 2 2154 216 210 GLN HB3 H 2.187 0.020 2 2155 216 210 GLN HE21 H 6.681 0.020 2 2156 216 210 GLN HE22 H 7.391 0.020 2 2157 216 210 GLN HG2 H 2.139 0.020 2 2158 216 210 GLN HG3 H 2.139 0.020 2 2159 216 210 GLN C C 173.521 0.400 1 2160 216 210 GLN CA C 57.881 0.400 1 2161 216 210 GLN CB C 26.089 0.400 1 2162 216 210 GLN CG C 34.020 0.400 1 2163 216 210 GLN N N 106.396 0.400 1 2164 216 210 GLN NE2 N 112.488 0.400 1 2165 217 211 ALA H H 7.657 0.020 1 2166 217 211 ALA HA H 4.608 0.020 1 2167 217 211 ALA HB H 1.369 0.020 1 2168 217 211 ALA C C 176.432 0.400 1 2169 217 211 ALA CA C 50.786 0.400 1 2170 217 211 ALA CB C 20.499 0.400 1 2171 217 211 ALA N N 123.338 0.400 1 2172 218 212 GLU H H 8.712 0.020 1 2173 218 212 GLU HA H 4.525 0.020 1 2174 218 212 GLU HB2 H 1.980 0.020 2 2175 218 212 GLU HB3 H 2.094 0.020 2 2176 218 212 GLU HG2 H 2.394 0.020 2 2177 218 212 GLU HG3 H 2.257 0.020 2 2178 218 212 GLU C C 177.924 0.400 1 2179 218 212 GLU CA C 57.550 0.400 1 2180 218 212 GLU CB C 28.811 0.400 1 2181 218 212 GLU CG C 36.159 0.400 1 2182 218 212 GLU N N 122.631 0.400 1 2183 219 213 LYS H H 8.835 0.020 1 2184 219 213 LYS HA H 4.612 0.020 1 2185 219 213 LYS HB2 H 2.254 0.020 2 2186 219 213 LYS HB3 H 1.281 0.020 2 2187 219 213 LYS HD2 H 1.583 0.020 2 2188 219 213 LYS HD3 H 1.583 0.020 2 2189 219 213 LYS HE2 H 2.791 0.020 2 2190 219 213 LYS HE3 H 2.791 0.020 2 2191 219 213 LYS HG2 H 1.653 0.020 2 2192 219 213 LYS HG3 H 1.459 0.020 2 2193 219 213 LYS C C 173.786 0.400 1 2194 219 213 LYS CA C 53.115 0.400 1 2195 219 213 LYS CB C 34.180 0.400 1 2196 219 213 LYS CD C 28.085 0.400 1 2197 219 213 LYS CE C 41.908 0.400 1 2198 219 213 LYS CG C 24.540 0.400 1 2199 219 213 LYS N N 126.870 0.400 1 2200 220 214 GLY H H 7.929 0.020 1 2201 220 214 GLY HA2 H 5.469 0.020 2 2202 220 214 GLY HA3 H 3.719 0.020 2 2203 220 214 GLY C C 173.926 0.400 1 2204 220 214 GLY CA C 44.536 0.400 1 2205 220 214 GLY N N 107.019 0.400 1 2206 221 215 SER H H 8.678 0.020 1 2207 221 215 SER HA H 5.460 0.020 1 2208 221 215 SER HB2 H 3.842 0.020 2 2209 221 215 SER HB3 H 3.790 0.020 2 2210 221 215 SER C C 171.043 0.400 1 2211 221 215 SER CA C 56.810 0.400 1 2212 221 215 SER CB C 66.671 0.400 1 2213 221 215 SER N N 117.334 0.400 1 2214 222 216 TYR H H 8.958 0.020 1 2215 222 216 TYR HA H 5.389 0.020 1 2216 222 216 TYR HB2 H 2.633 0.020 2 2217 222 216 TYR HB3 H 2.429 0.020 2 2218 222 216 TYR HD1 H 6.342 0.020 1 2219 222 216 TYR HD2 H 6.342 0.020 1 2220 222 216 TYR HE1 H 6.219 0.020 1 2221 222 216 TYR HE2 H 6.219 0.020 1 2222 222 216 TYR HH H 7.600 0.020 1 2223 222 216 TYR C C 172.789 0.400 1 2224 222 216 TYR CA C 55.819 0.400 1 2225 222 216 TYR CB C 41.681 0.400 1 2226 222 216 TYR N N 117.645 0.400 1 2227 223 217 SER H H 8.837 0.020 1 2228 223 217 SER HA H 5.165 0.020 1 2229 223 217 SER HB2 H 3.651 0.020 2 2230 223 217 SER HB3 H 3.605 0.020 2 2231 223 217 SER C C 173.125 0.400 1 2232 223 217 SER CA C 56.600 0.400 1 2233 223 217 SER CB C 64.500 0.400 1 2234 223 217 SER N N 115.593 0.400 1 2235 224 218 LEU H H 9.299 0.020 1 2236 224 218 LEU HA H 4.748 0.020 1 2237 224 218 LEU HB2 H 1.180 0.020 2 2238 224 218 LEU HB3 H 0.930 0.020 2 2239 224 218 LEU HD1 H -0.383 0.020 2 2240 224 218 LEU HD2 H 0.140 0.020 2 2241 224 218 LEU HG H 1.174 0.020 1 2242 224 218 LEU C C 175.567 0.400 1 2243 224 218 LEU CA C 53.138 0.400 1 2244 224 218 LEU CB C 46.255 0.400 1 2245 224 218 LEU CD1 C 23.748 0.400 1 2246 224 218 LEU CD2 C 23.043 0.400 1 2247 224 218 LEU CG C 25.361 0.400 1 2248 224 218 LEU N N 123.523 0.400 1 2249 225 219 GLY H H 9.041 0.020 1 2250 225 219 GLY HA2 H 4.620 0.020 2 2251 225 219 GLY HA3 H 3.413 0.020 2 2252 225 219 GLY C C 171.514 0.400 1 2253 225 219 GLY CA C 43.777 0.400 1 2254 225 219 GLY N N 108.999 0.400 1 2255 226 220 ILE H H 6.853 0.020 1 2256 226 220 ILE HA H 4.615 0.020 1 2257 226 220 ILE HB H 1.370 0.020 1 2258 226 220 ILE HD1 H 0.707 0.020 1 2259 226 220 ILE HG12 H 1.204 0.020 2 2260 226 220 ILE HG13 H 1.204 0.020 2 2261 226 220 ILE HG2 H 0.999 0.020 1 2262 226 220 ILE C C 174.750 0.400 1 2263 226 220 ILE CA C 60.421 0.400 1 2264 226 220 ILE CB C 38.213 0.400 1 2265 226 220 ILE CD1 C 13.844 0.400 1 2266 226 220 ILE CG1 C 27.770 0.400 1 2267 226 220 ILE CG2 C 16.025 0.400 1 2268 226 220 ILE N N 120.223 0.400 1 2269 227 221 PHE H H 9.392 0.020 1 2270 227 221 PHE HA H 4.770 0.020 1 2271 227 221 PHE HB2 H 2.220 0.020 2 2272 227 221 PHE HB3 H 2.813 0.020 2 2273 227 221 PHE HD1 H 6.544 0.020 1 2274 227 221 PHE HD2 H 6.544 0.020 1 2275 227 221 PHE HE1 H 6.715 0.020 1 2276 227 221 PHE HE2 H 6.715 0.020 1 2277 227 221 PHE C C 175.093 0.400 1 2278 227 221 PHE CA C 58.053 0.400 1 2279 227 221 PHE CB C 42.505 0.400 1 2280 227 221 PHE N N 128.229 0.400 1 2281 228 222 GLY H H 8.675 0.020 1 2282 228 222 GLY HA2 H 3.174 0.020 2 2283 228 222 GLY HA3 H 4.311 0.020 2 2284 228 222 GLY CA C 42.438 0.400 1 2285 228 222 GLY N N 104.634 0.400 1 2286 229 223 GLY CA C 46.870 0.400 1 2287 230 224 LYS H H 8.366 0.020 1 2288 230 224 LYS HA H 4.305 0.020 1 2289 230 224 LYS HB2 H 1.822 0.020 2 2290 230 224 LYS HB3 H 1.038 0.020 2 2291 230 224 LYS HD2 H 1.496 0.020 2 2292 230 224 LYS HD3 H 1.496 0.020 2 2293 230 224 LYS C C 174.717 0.400 1 2294 230 224 LYS CA C 54.119 0.400 1 2295 230 224 LYS CB C 30.821 0.400 1 2296 230 224 LYS CD C 28.641 0.400 1 2297 230 224 LYS N N 118.720 0.400 1 2298 231 225 ALA H H 7.633 0.020 1 2299 231 225 ALA HA H 3.810 0.020 1 2300 231 225 ALA HB H 1.160 0.020 1 2301 231 225 ALA C C 176.702 0.400 1 2302 231 225 ALA CA C 51.868 0.400 1 2303 231 225 ALA CB C 16.117 0.400 1 2304 231 225 ALA N N 118.077 0.400 1 2305 232 226 GLN H H 9.387 0.020 1 2306 232 226 GLN HA H 3.877 0.020 1 2307 232 226 GLN HB2 H 1.836 0.020 2 2308 232 226 GLN HB3 H 1.836 0.020 2 2309 232 226 GLN HG2 H 2.253 0.020 2 2310 232 226 GLN HG3 H 2.253 0.020 2 2311 232 226 GLN C C 175.992 0.400 1 2312 232 226 GLN CA C 60.989 0.400 1 2313 232 226 GLN CB C 28.695 0.400 1 2314 232 226 GLN CG C 31.717 0.400 1 2315 232 226 GLN N N 117.991 0.400 1 2316 233 227 GLU H H 8.825 0.020 1 2317 233 227 GLU HA H 5.411 0.020 1 2318 233 227 GLU HB2 H 1.722 0.020 2 2319 233 227 GLU HB3 H 1.722 0.020 2 2320 233 227 GLU HG2 H 2.174 0.020 2 2321 233 227 GLU HG3 H 2.174 0.020 2 2322 233 227 GLU C C 174.939 0.400 1 2323 233 227 GLU CA C 54.289 0.400 1 2324 233 227 GLU CB C 33.797 0.400 1 2325 233 227 GLU CG C 34.054 0.400 1 2326 233 227 GLU N N 116.638 0.400 1 2327 234 228 VAL H H 8.343 0.020 1 2328 234 228 VAL HA H 5.544 0.020 1 2329 234 228 VAL HB H 1.471 0.020 1 2330 234 228 VAL HG1 H -0.038 0.020 2 2331 234 228 VAL HG2 H 0.038 0.020 2 2332 234 228 VAL C C 174.839 0.400 1 2333 234 228 VAL CA C 57.867 0.400 1 2334 234 228 VAL CB C 35.379 0.400 1 2335 234 228 VAL CG1 C 20.010 0.400 1 2336 234 228 VAL CG2 C 17.430 0.400 1 2337 234 228 VAL N N 109.304 0.400 1 2338 235 229 ALA H H 8.475 0.020 1 2339 235 229 ALA HA H 4.937 0.020 1 2340 235 229 ALA HB H 1.051 0.020 1 2341 235 229 ALA C C 176.417 0.400 1 2342 235 229 ALA CA C 51.303 0.400 1 2343 235 229 ALA CB C 20.301 0.400 1 2344 235 229 ALA N N 120.653 0.400 1 2345 236 230 GLY H H 9.361 0.020 1 2346 236 230 GLY HA2 H 5.075 0.020 2 2347 236 230 GLY HA3 H 4.017 0.020 2 2348 236 230 GLY C C 170.130 0.400 1 2349 236 230 GLY CA C 46.221 0.400 1 2350 236 230 GLY N N 111.104 0.400 1 2351 237 231 SER H H 8.889 0.020 1 2352 237 231 SER HA H 5.276 0.020 1 2353 237 231 SER HB2 H 3.837 0.020 2 2354 237 231 SER HB3 H 3.708 0.020 2 2355 237 231 SER C C 171.360 0.400 1 2356 237 231 SER CA C 56.498 0.400 1 2357 237 231 SER CB C 66.398 0.400 1 2358 237 231 SER N N 115.308 0.400 1 2359 238 232 ALA H H 9.083 0.020 1 2360 238 232 ALA HA H 5.148 0.020 1 2361 238 232 ALA HB H 1.023 0.020 1 2362 238 232 ALA C C 174.537 0.400 1 2363 238 232 ALA CA C 49.904 0.400 1 2364 238 232 ALA CB C 21.729 0.400 1 2365 238 232 ALA N N 119.911 0.400 1 2366 239 233 GLU H H 9.015 0.020 1 2367 239 233 GLU HA H 4.631 0.020 1 2368 239 233 GLU HB2 H 1.783 0.020 2 2369 239 233 GLU HB3 H 1.783 0.020 2 2370 239 233 GLU HG2 H 2.035 0.020 2 2371 239 233 GLU HG3 H 1.874 0.020 2 2372 239 233 GLU C C 174.122 0.400 1 2373 239 233 GLU CA C 54.786 0.400 1 2374 239 233 GLU CB C 31.355 0.400 1 2375 239 233 GLU CG C 36.137 0.400 1 2376 239 233 GLU N N 122.744 0.400 1 2377 240 234 VAL H H 8.792 0.020 1 2378 240 234 VAL HA H 4.394 0.020 1 2379 240 234 VAL HB H 1.614 0.020 1 2380 240 234 VAL HG2 H 0.651 0.020 2 2381 240 234 VAL C C 174.833 0.400 1 2382 240 234 VAL CA C 61.427 0.400 1 2383 240 234 VAL CB C 33.863 0.400 1 2384 240 234 VAL CG2 C 21.406 0.400 1 2385 240 234 VAL N N 124.203 0.400 1 2386 241 235 LYS H H 8.841 0.020 1 2387 241 235 LYS HA H 3.981 0.020 1 2388 241 235 LYS HB2 H 1.449 0.020 2 2389 241 235 LYS HB3 H 1.642 0.020 2 2390 241 235 LYS HD2 H 1.552 0.020 2 2391 241 235 LYS HD3 H 1.552 0.020 2 2392 241 235 LYS HE2 H 2.811 0.020 2 2393 241 235 LYS HE3 H 2.811 0.020 2 2394 241 235 LYS HG2 H 1.199 0.020 2 2395 241 235 LYS HG3 H 1.199 0.020 2 2396 241 235 LYS C C 174.548 0.400 1 2397 241 235 LYS CA C 55.955 0.400 1 2398 241 235 LYS CB C 32.100 0.400 1 2399 241 235 LYS CD C 28.779 0.400 1 2400 241 235 LYS CE C 41.547 0.400 1 2401 241 235 LYS CG C 25.143 0.400 1 2402 241 235 LYS N N 127.554 0.400 1 2403 242 236 THR H H 7.212 0.020 1 2404 242 236 THR HA H 4.355 0.020 1 2405 242 236 THR HB H 4.278 0.020 1 2406 242 236 THR HG2 H 0.792 0.020 1 2407 242 236 THR C C 176.482 0.400 1 2408 242 236 THR CA C 61.054 0.400 1 2409 242 236 THR CB C 72.642 0.400 1 2410 242 236 THR CG2 C 21.260 0.400 1 2411 242 236 THR N N 114.463 0.400 1 2412 243 237 VAL H H 9.582 0.020 1 2413 243 237 VAL HA H 3.849 0.020 1 2414 243 237 VAL HB H 2.097 0.020 1 2415 243 237 VAL HG1 H 0.871 0.020 2 2416 243 237 VAL HG2 H 0.871 0.020 2 2417 243 237 VAL C C 176.201 0.400 1 2418 243 237 VAL CA C 64.701 0.400 1 2419 243 237 VAL CB C 31.028 0.400 1 2420 243 237 VAL CG1 C 20.105 0.400 1 2421 243 237 VAL N N 120.670 0.400 1 2422 244 238 ASN H H 7.572 0.020 1 2423 244 238 ASN HA H 4.882 0.020 1 2424 244 238 ASN HB2 H 2.254 0.020 2 2425 244 238 ASN HB3 H 2.888 0.020 2 2426 244 238 ASN HD21 H 6.860 0.020 2 2427 244 238 ASN HD22 H 7.583 0.020 2 2428 244 238 ASN C C 173.835 0.400 1 2429 244 238 ASN CA C 52.022 0.400 1 2430 244 238 ASN CB C 39.176 0.400 1 2431 244 238 ASN N N 115.638 0.400 1 2432 244 238 ASN ND2 N 113.609 0.400 1 2433 245 239 GLY H H 7.362 0.020 1 2434 245 239 GLY HA2 H 4.539 0.020 2 2435 245 239 GLY HA3 H 3.728 0.020 2 2436 245 239 GLY C C 174.343 0.400 1 2437 245 239 GLY CA C 43.316 0.400 1 2438 245 239 GLY N N 107.650 0.400 1 2439 246 240 ILE H H 8.672 0.020 1 2440 246 240 ILE HA H 4.351 0.020 1 2441 246 240 ILE HB H 1.629 0.020 1 2442 246 240 ILE HD1 H 0.716 0.020 1 2443 246 240 ILE HG12 H 1.479 0.020 2 2444 246 240 ILE HG13 H 1.029 0.020 2 2445 246 240 ILE HG2 H 0.496 0.020 1 2446 246 240 ILE C C 176.899 0.400 1 2447 246 240 ILE CA C 61.120 0.400 1 2448 246 240 ILE CB C 36.906 0.400 1 2449 246 240 ILE CD1 C 12.200 0.400 1 2450 246 240 ILE CG1 C 27.731 0.400 1 2451 246 240 ILE CG2 C 17.309 0.400 1 2452 246 240 ILE N N 122.673 0.400 1 2453 247 241 ARG H H 9.233 0.020 1 2454 247 241 ARG HA H 4.370 0.020 1 2455 247 241 ARG HB2 H 1.470 0.020 2 2456 247 241 ARG HB3 H 1.470 0.020 2 2457 247 241 ARG HD2 H 3.023 0.020 2 2458 247 241 ARG HD3 H 3.023 0.020 2 2459 247 241 ARG HG2 H 1.795 0.020 2 2460 247 241 ARG HG3 H 1.795 0.020 2 2461 247 241 ARG C C 173.925 0.400 1 2462 247 241 ARG CA C 53.461 0.400 1 2463 247 241 ARG CB C 31.910 0.400 1 2464 247 241 ARG CD C 41.828 0.400 1 2465 247 241 ARG CG C 27.248 0.400 1 2466 247 241 ARG N N 128.497 0.400 1 2467 248 242 HIS H H 8.519 0.020 1 2468 248 242 HIS HA H 5.323 0.020 1 2469 248 242 HIS HB2 H 2.935 0.020 2 2470 248 242 HIS HB3 H 2.935 0.020 2 2471 248 242 HIS HD2 H 7.148 0.020 1 2472 248 242 HIS HE1 H 7.700 0.020 1 2473 248 242 HIS C C 174.635 0.400 1 2474 248 242 HIS CA C 55.759 0.400 1 2475 248 242 HIS CB C 32.921 0.400 1 2476 248 242 HIS N N 121.131 0.400 1 2477 249 243 ILE H H 8.723 0.020 1 2478 249 243 ILE HA H 4.522 0.020 1 2479 249 243 ILE HB H 1.386 0.020 1 2480 249 243 ILE HD1 H 0.574 0.020 1 2481 249 243 ILE HG12 H 1.215 0.020 2 2482 249 243 ILE HG13 H 0.734 0.020 2 2483 249 243 ILE HG2 H 0.540 0.020 1 2484 249 243 ILE C C 176.188 0.400 1 2485 249 243 ILE CA C 58.524 0.400 1 2486 249 243 ILE CB C 41.977 0.400 1 2487 249 243 ILE CD1 C 13.945 0.400 1 2488 249 243 ILE CG1 C 25.358 0.400 1 2489 249 243 ILE CG2 C 17.770 0.400 1 2490 249 243 ILE N N 119.438 0.400 1 2491 250 244 GLY H H 9.351 0.020 1 2492 250 244 GLY HA2 H 3.707 0.020 2 2493 250 244 GLY HA3 H 2.119 0.020 2 2494 250 244 GLY C C 170.981 0.400 1 2495 250 244 GLY CA C 44.178 0.400 1 2496 250 244 GLY N N 113.700 0.400 1 2497 251 245 LEU H H 7.833 0.020 1 2498 251 245 LEU HA H 4.717 0.020 1 2499 251 245 LEU HB2 H 0.776 0.020 2 2500 251 245 LEU HB3 H 1.030 0.020 2 2501 251 245 LEU HD1 H 0.593 0.020 2 2502 251 245 LEU HD2 H 0.380 0.020 2 2503 251 245 LEU HG H 0.483 0.020 1 2504 251 245 LEU C C 174.501 0.400 1 2505 251 245 LEU CA C 52.508 0.400 1 2506 251 245 LEU CB C 46.764 0.400 1 2507 251 245 LEU CD1 C 23.775 0.400 1 2508 251 245 LEU CD2 C 25.711 0.400 1 2509 251 245 LEU CG C 26.268 0.400 1 2510 251 245 LEU N N 120.798 0.400 1 2511 252 246 ALA H H 7.906 0.020 1 2512 252 246 ALA HA H 4.589 0.020 1 2513 252 246 ALA HB H 0.922 0.020 1 2514 252 246 ALA C C 173.363 0.400 1 2515 252 246 ALA CA C 51.546 0.400 1 2516 252 246 ALA CB C 21.524 0.400 1 2517 252 246 ALA N N 122.885 0.400 1 2518 253 247 ALA H H 9.041 0.020 1 2519 253 247 ALA HA H 4.726 0.020 1 2520 253 247 ALA HB H 0.932 0.020 1 2521 253 247 ALA C C 174.897 0.400 1 2522 253 247 ALA CA C 51.723 0.400 1 2523 253 247 ALA CB C 22.967 0.400 1 2524 253 247 ALA N N 122.967 0.400 1 2525 254 248 LYS H H 8.171 0.020 1 2526 254 248 LYS HA H 5.731 0.020 1 2527 254 248 LYS HB2 H 1.778 0.020 2 2528 254 248 LYS HB3 H 2.064 0.020 2 2529 254 248 LYS HE2 H 2.991 0.020 2 2530 254 248 LYS HE3 H 2.991 0.020 2 2531 254 248 LYS HG2 H 1.623 0.020 2 2532 254 248 LYS HG3 H 1.623 0.020 2 2533 254 248 LYS C C 175.094 0.400 1 2534 254 248 LYS CA C 53.866 0.400 1 2535 254 248 LYS CB C 36.312 0.400 1 2536 254 248 LYS CE C 40.408 0.400 1 2537 254 248 LYS CG C 22.558 0.400 1 2538 254 248 LYS N N 115.734 0.400 1 2539 255 249 GLN H H 8.857 0.020 1 2540 255 249 GLN HA H 4.280 0.020 1 2541 255 249 GLN HB2 H 1.933 0.020 2 2542 255 249 GLN HB3 H 1.766 0.020 2 2543 255 249 GLN HG2 H 2.037 0.020 2 2544 255 249 GLN HG3 H 2.037 0.020 2 2545 255 249 GLN C C 176.555 0.400 1 2546 255 249 GLN CA C 57.134 0.400 1 2547 255 249 GLN CB C 29.506 0.400 1 2548 255 249 GLN CG C 32.960 0.400 1 2549 255 249 GLN N N 122.746 0.400 1 2550 256 250 HIS H H 8.622 0.020 1 2551 256 250 HIS HA H 4.583 0.020 1 2552 256 250 HIS C C 173.743 0.400 1 2553 256 250 HIS CA C 54.864 0.400 1 2554 256 250 HIS N N 124.229 0.400 1 stop_ save_