data_27498 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C resonance assignments of the C-terminal domain of the P protein of the Nishigahara strain of rabies virus ; _BMRB_accession_number 27498 _BMRB_flat_file_name bmr27498.str _Entry_type original _Submission_date 2018-05-30 _Accession_date 2018-05-30 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhan Jingyu . . 2 Gooley Paul R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 632 "13C chemical shifts" 477 "15N chemical shifts" 121 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-10-03 original BMRB . stop_ _Original_release_date 2018-06-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 15N and 13C resonance assignments of the C-terminal domain of the P protein of the Nishigahara strain of rabies virus ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27498 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhan Jingyu . . 2 'Md. Alamgir' Hossain . . 3 Sethi Ashish . . 4 Moseley Gregory W. . 5 Gooley Paul R. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2018 _Details . loop_ _Keyword 'Chemical shift assignments' Lyssavirus 'P protein' Phosphoprotein Rabies stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'C-terminal domain of the P protein of the Nishigahara strain of rabies virus' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RABV P-protein CTD' $RABV_P-protein_CTD stop_ _System_molecular_weight 13001 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Innate immune evasion' 'Nucleo-cytoplasmic trafficking' 'Viral replication' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RABV_P-protein_CTD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RABV_P-protein_CTD _Molecular_mass 13000.82 _Mol_thiol_state 'all free' loop_ _Biological_function 'Innate immune system evasion' 'Viral replication and transcription' 'nucleo-cytoplasmic trafficking' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 115 _Mol_residue_sequence ; GHMWSATNEEDDLSVEAEIA HQIAESFSKKYKFPSRSSGI FLYNFEQLKMNLDDIVKEAK NVPGVTRLAHDGSKLPLRCV LGWVALANSKKFQLLVEANK LNKIMQDDLNRYASS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 183 GLY 2 184 HIS 3 185 MET 4 186 TRP 5 187 SER 6 188 ALA 7 189 THR 8 190 ASN 9 191 GLU 10 192 GLU 11 193 ASP 12 194 ASP 13 195 LEU 14 196 SER 15 197 VAL 16 198 GLU 17 199 ALA 18 200 GLU 19 201 ILE 20 202 ALA 21 203 HIS 22 204 GLN 23 205 ILE 24 206 ALA 25 207 GLU 26 208 SER 27 209 PHE 28 210 SER 29 211 LYS 30 212 LYS 31 213 TYR 32 214 LYS 33 215 PHE 34 216 PRO 35 217 SER 36 218 ARG 37 219 SER 38 220 SER 39 221 GLY 40 222 ILE 41 223 PHE 42 224 LEU 43 225 TYR 44 226 ASN 45 227 PHE 46 228 GLU 47 229 GLN 48 230 LEU 49 231 LYS 50 232 MET 51 233 ASN 52 234 LEU 53 235 ASP 54 236 ASP 55 237 ILE 56 238 VAL 57 239 LYS 58 240 GLU 59 241 ALA 60 242 LYS 61 243 ASN 62 244 VAL 63 245 PRO 64 246 GLY 65 247 VAL 66 248 THR 67 249 ARG 68 250 LEU 69 251 ALA 70 252 HIS 71 253 ASP 72 254 GLY 73 255 SER 74 256 LYS 75 257 LEU 76 258 PRO 77 259 LEU 78 260 ARG 79 261 CYS 80 262 VAL 81 263 LEU 82 264 GLY 83 265 TRP 84 266 VAL 85 267 ALA 86 268 LEU 87 269 ALA 88 270 ASN 89 271 SER 90 272 LYS 91 273 LYS 92 274 PHE 93 275 GLN 94 276 LEU 95 277 LEU 96 278 VAL 97 279 GLU 98 280 ALA 99 281 ASN 100 282 LYS 101 283 LEU 102 284 ASN 103 285 LYS 104 286 ILE 105 287 MET 106 288 GLN 107 289 ASP 108 290 ASP 109 291 LEU 110 292 ASN 111 293 ARG 112 294 TYR 113 295 ALA 114 296 SER 115 297 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UNP Q9IPJ8 PHOSP_RABVN . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic _Details $RABV_P-protein_CTD 'Lyssavirus genus' 11286 viruses ssRNA2 Lyssavirus genus P 'The C-terminal domain of the P protein of the Nishigahara strain of rabies virus' 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 $RABV_P-protein_CTD 'recombinant technology' . Escherichia coli BL21(DE3) pET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' $RABV_P-protein_CTD 0.6 mM '[U-99% 15N]' stop_ save_ save_unlabelled _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' $RABV_P-protein_CTD 0.6 mM 'natural abundance' DSS 50 uM 'natural abundance' stop_ save_ save_13C-D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' $RABV_P-protein_CTD 0.3 mM '[U-98% 13C; U-98% 15N]' stop_ save_ save_13C-H2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' $RABV_P-protein_CTD 0.3 mM '[U-98% 13C; U-98% 15N]' stop_ save_ save_10_13C _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' $RABV_P-protein_CTD 0.32 mM '[U-10% 13C; U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRFAM-SPARKY _Saveframe_category software _Name NMRFAM-SPARKY _Version 'v 1.3' loop_ _Vendor _Address _Electronic_address 'Lee W, Tonelli M, Markley JL' . whlee@nmrfam.wisc.edu stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 'v 2.1' loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_MddNMR _Saveframe_category software _Name MddNMR _Version . loop_ _Vendor _Address _Electronic_address 'V. Orekhov, V. Jaravine, M. Mayzel, K. Kazimierczuk' 'Swedish NMR Center, University of Gothenburg' orov@nmr.gu.se stop_ loop_ _Task processing stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_700 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_800 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $13C-D2O save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $13C-D2O save_ save_2D_1H-1H_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $unlabelled save_ save_2D_1H-1H_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $unlabelled save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $13C-H2O save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $13C-H2O save_ save_3D_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $13C-H2O save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $13C-H2O save_ save_3D_HN(CA)CO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $13C-H2O save_ save_3D_H(CCO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $13C-H2O save_ save_3D_HBHA(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $13C-H2O save_ save_3D_HCCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $13C-D2O save_ save_3D_1H-13C_NOESY_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $13C-D2O save_ save_3D_1H-13C_NOESY_aliphatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $13C-D2O save_ save_3D_1H-15N_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N save_ save_2D_1H-13C_HSQC_aliphatic_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $10_13C save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.2 . M pH 6.8 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRFAM-SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '3D CBCA(CO)NH' '3D HNCACB' '3D C(CO)NH' '3D HNCO' '3D HN(CA)CO' '3D H(CCO)NH' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D 1H-13C NOESY aromatic' '3D 1H-13C NOESY aliphatic' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $15N $13C-D2O $unlabelled $13C-H2O $10_13C stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RABV P-protein CTD' _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 1 184 2 HIS HD2 H 6.901 0.006 . 2 184 2 HIS HE1 H 7.843 0.007 . 3 184 2 HIS CD2 C 119.592 0 . 4 184 2 HIS CE1 C 138.119 0 . 5 185 3 MET HA H 4.433 0.01 . 6 185 3 MET HB2 H 1.942 0.011 . 7 185 3 MET HB3 H 1.91 0.011 . 8 185 3 MET HG2 H 2.451 0.002 . 9 185 3 MET HG3 H 2.4 0.011 . 10 185 3 MET HE H 2.049 0 . 11 185 3 MET C C 175.582 0.001 . 12 185 3 MET CA C 55.521 0.075 . 13 185 3 MET CB C 32.826 0.041 . 14 185 3 MET CG C 31.783 0.025 . 15 185 3 MET CE C 16.858 0 . 16 186 4 TRP H H 8.264 0.002 . 17 186 4 TRP HA H 4.592 0.006 . 18 186 4 TRP HB2 H 3.235 0.006 . 19 186 4 TRP HB3 H 3.235 0.006 . 20 186 4 TRP HD1 H 7.231 0.007 . 21 186 4 TRP HE1 H 10.117 0.001 . 22 186 4 TRP HE3 H 7.484 0.007 . 23 186 4 TRP HZ2 H 7.326 0.005 . 24 186 4 TRP HZ3 H 7.057 0.004 . 25 186 4 TRP HH2 H 7.11 0 . 26 186 4 TRP C C 175.797 0.002 . 27 186 4 TRP CA C 57.781 0.047 . 28 186 4 TRP CB C 29.627 0.059 . 29 186 4 TRP CD1 C 127.08 0.006 . 30 186 4 TRP CE3 C 120.631 0.017 . 31 186 4 TRP CZ2 C 114.378 0.033 . 32 186 4 TRP CZ3 C 121.874 0 . 33 186 4 TRP CH2 C 124.394 0.06 . 34 186 4 TRP N N 122.776 0.054 . 35 186 4 TRP NE1 N 129.635 0.017 . 36 187 5 SER H H 7.804 0.002 . 37 187 5 SER HA H 4.265 0.006 . 38 187 5 SER HB2 H 3.65 0.012 . 39 187 5 SER HB3 H 3.696 0.004 . 40 187 5 SER C C 173.33 0.01 . 41 187 5 SER CA C 57.715 0.091 . 42 187 5 SER CB C 64.215 0.059 . 43 187 5 SER N N 118.019 0.039 . 44 188 6 ALA H H 8.196 0.003 . 45 188 6 ALA HA H 4.176 0.004 . 46 188 6 ALA HB H 1.379 0.012 . 47 188 6 ALA C C 177.992 0.001 . 48 188 6 ALA CA C 52.665 0.088 . 49 188 6 ALA CB C 19.243 0.036 . 50 188 6 ALA N N 125.867 0.033 . 51 189 7 THR H H 8.197 0.002 . 52 189 7 THR HA H 4.313 0.008 . 53 189 7 THR HB H 4.252 0.005 . 54 189 7 THR HG2 H 1.168 0.004 . 55 189 7 THR C C 174.328 0.002 . 56 189 7 THR CA C 61.811 0.084 . 57 189 7 THR CB C 69.771 0.053 . 58 189 7 THR CG2 C 21.599 0.048 . 59 189 7 THR N N 112.442 0.039 . 60 190 8 ASN H H 8.295 0.004 . 61 190 8 ASN HA H 4.724 0.009 . 62 190 8 ASN HB2 H 2.881 0.01 . 63 190 8 ASN HB3 H 2.79 0.014 . 64 190 8 ASN HD21 H 7.571 0.001 . 65 190 8 ASN HD22 H 6.901 0.002 . 66 190 8 ASN C C 175.284 0.004 . 67 190 8 ASN CA C 53.26 0.062 . 68 190 8 ASN CB C 39.106 0.033 . 69 190 8 ASN N N 120.16 0.041 . 70 190 8 ASN ND2 N 113.023 0.069 . 71 191 9 GLU H H 8.552 0.006 . 72 191 9 GLU HA H 4.215 0.01 . 73 191 9 GLU HB2 H 2.073 0.01 . 74 191 9 GLU HB3 H 1.977 0.015 . 75 191 9 GLU HG2 H 2.268 0 . 76 191 9 GLU HG3 H 2.268 0 . 77 191 9 GLU C C 177.077 0.002 . 78 191 9 GLU CA C 57.792 0.054 . 79 191 9 GLU CB C 30.05 0.053 . 80 191 9 GLU CG C 36.414 0 . 81 191 9 GLU N N 121.442 0.05 . 82 192 10 GLU H H 8.432 0.002 . 83 192 10 GLU HA H 4.17 0.01 . 84 192 10 GLU HB2 H 2.056 0.012 . 85 192 10 GLU HB3 H 1.99 0.013 . 86 192 10 GLU HG2 H 2.266 0.005 . 87 192 10 GLU HG3 H 2.266 0.005 . 88 192 10 GLU C C 177.197 0.009 . 89 192 10 GLU CA C 57.777 0.054 . 90 192 10 GLU CB C 29.884 0.041 . 91 192 10 GLU CG C 36.457 0.047 . 92 192 10 GLU N N 120.413 0.043 . 93 193 11 ASP H H 8.286 0.002 . 94 193 11 ASP HA H 4.625 0.009 . 95 193 11 ASP HB2 H 2.722 0.01 . 96 193 11 ASP HB3 H 2.722 0.01 . 97 193 11 ASP C C 176.676 0.006 . 98 193 11 ASP CA C 55.2 0.05 . 99 193 11 ASP CB C 41.236 0.027 . 100 193 11 ASP N N 120.932 0.062 . 101 194 12 ASP H H 8.126 0.003 . 102 194 12 ASP HA H 4.562 0.01 . 103 194 12 ASP HB2 H 2.712 0.011 . 104 194 12 ASP HB3 H 2.712 0.011 . 105 194 12 ASP C C 177.483 0.001 . 106 194 12 ASP CA C 55.804 0.084 . 107 194 12 ASP CB C 41.255 0.007 . 108 194 12 ASP N N 120.863 0.043 . 109 195 13 LEU H H 8.287 0.004 . 110 195 13 LEU HA H 4.192 0.011 . 111 195 13 LEU HB2 H 1.803 0.008 . 112 195 13 LEU HB3 H 1.609 0.007 . 113 195 13 LEU HG H 1.73 0.008 . 114 195 13 LEU HD1 H 0.914 0.006 . 115 195 13 LEU HD2 H 0.855 0.005 . 116 195 13 LEU C C 179.542 0.011 . 117 195 13 LEU CA C 57.291 0.101 . 118 195 13 LEU CB C 41.504 0.078 . 119 195 13 LEU CG C 27.196 0.105 . 120 195 13 LEU CD1 C 25.111 0.064 . 121 195 13 LEU CD2 C 23.302 0.086 . 122 195 13 LEU N N 121.588 0.072 . 123 196 14 SER H H 8.289 0.009 . 124 196 14 SER HA H 4.3 0.006 . 125 196 14 SER HB2 H 4.041 0.006 . 126 196 14 SER HB3 H 4.017 0.005 . 127 196 14 SER C C 177.19 0 . 128 196 14 SER CA C 61.126 0.036 . 129 196 14 SER CB C 62.718 0.026 . 130 196 14 SER N N 116.535 0.051 . 131 197 15 VAL H H 7.994 0.007 . 132 197 15 VAL HA H 3.655 0.009 . 133 197 15 VAL HB H 2.285 0.01 . 134 197 15 VAL HG1 H 0.969 0.012 . 135 197 15 VAL HG2 H 1.094 0.009 . 136 197 15 VAL C C 177.456 0.013 . 137 197 15 VAL CA C 66.288 0.041 . 138 197 15 VAL CB C 31.843 0.044 . 139 197 15 VAL CG1 C 21.739 0.082 . 140 197 15 VAL CG2 C 23.02 0.053 . 141 197 15 VAL N N 123.4 0.032 . 142 198 16 GLU H H 8.242 0.007 . 143 198 16 GLU HA H 3.578 0.01 . 144 198 16 GLU HB2 H 2.075 0.016 . 145 198 16 GLU HB3 H 2.005 0.02 . 146 198 16 GLU HG2 H 2.384 0.004 . 147 198 16 GLU HG3 H 2.035 0.011 . 148 198 16 GLU C C 178.011 0.003 . 149 198 16 GLU CA C 60.895 0.068 . 150 198 16 GLU CB C 28.835 0.051 . 151 198 16 GLU CG C 38.079 0.062 . 152 198 16 GLU N N 118.948 0.054 . 153 199 17 ALA H H 8.026 0.005 . 154 199 17 ALA HA H 4.095 0.013 . 155 199 17 ALA HB H 1.473 0.006 . 156 199 17 ALA C C 180.137 0.004 . 157 199 17 ALA CA C 54.88 0.028 . 158 199 17 ALA CB C 17.981 0.038 . 159 199 17 ALA N N 120.186 0.082 . 160 200 18 GLU H H 7.713 0.002 . 161 200 18 GLU HA H 4.247 0.013 . 162 200 18 GLU HB2 H 2.298 0.016 . 163 200 18 GLU HB3 H 2.047 0.01 . 164 200 18 GLU C C 178.326 0.004 . 165 200 18 GLU CA C 58.795 0.062 . 166 200 18 GLU CB C 29.624 0.036 . 167 200 18 GLU CG C 35.097 0 . 168 200 18 GLU N N 120.356 0.042 . 169 201 19 ILE H H 8.032 0.003 . 170 201 19 ILE HA H 3.38 0.012 . 171 201 19 ILE HB H 1.807 0.014 . 172 201 19 ILE HG2 H 0.73 0.015 . 173 201 19 ILE HD1 H 0.578 0.013 . 174 201 19 ILE C C 177.41 0 . 175 201 19 ILE CA C 66.086 0.047 . 176 201 19 ILE CB C 37.911 0.02 . 177 201 19 ILE CG2 C 18.773 0.037 . 178 201 19 ILE CD1 C 14.971 0.017 . 179 201 19 ILE N N 118.448 0.061 . 180 202 20 ALA H H 8.541 0.004 . 181 202 20 ALA HA H 3.598 0.012 . 182 202 20 ALA HB H 1.441 0.014 . 183 202 20 ALA C C 179.178 0.019 . 184 202 20 ALA CA C 55.66 0.068 . 185 202 20 ALA CB C 18.32 0.063 . 186 202 20 ALA N N 119.522 0.13 . 187 203 21 HIS H H 8.215 0.003 . 188 203 21 HIS HA H 4.308 0.013 . 189 203 21 HIS HB2 H 3.341 0.008 . 190 203 21 HIS HB3 H 3.341 0.008 . 191 203 21 HIS HD2 H 7.159 0.012 . 192 203 21 HIS HE1 H 8.185 0.016 . 193 203 21 HIS C C 177.407 0.005 . 194 203 21 HIS CA C 59.13 0.14 . 195 203 21 HIS CB C 29.194 0.067 . 196 203 21 HIS CD2 C 119.987 0.053 . 197 203 21 HIS CE1 C 137.215 0 . 198 203 21 HIS N N 116.09 0.046 . 199 204 22 GLN H H 8.002 0.005 . 200 204 22 GLN HA H 3.957 0.007 . 201 204 22 GLN HB2 H 1.86 0.017 . 202 204 22 GLN HB3 H 1.86 0.017 . 203 204 22 GLN HG2 H 2.985 0.009 . 204 204 22 GLN HG3 H 2.28 0.007 . 205 204 22 GLN HE21 H 9.423 0.004 . 206 204 22 GLN HE22 H 7.428 0.002 . 207 204 22 GLN C C 179.646 0.008 . 208 204 22 GLN CA C 60.759 0.083 . 209 204 22 GLN CB C 28.973 0 . 210 204 22 GLN CG C 35.292 0.073 . 211 204 22 GLN N N 116.767 0.053 . 212 204 22 GLN NE2 N 115.861 0.082 . 213 205 23 ILE H H 8.321 0.003 . 214 205 23 ILE HA H 3.261 0.011 . 215 205 23 ILE HB H 1.467 0.016 . 216 205 23 ILE HG12 H 1.652 0.008 . 217 205 23 ILE HG13 H 0.287 0.019 . 218 205 23 ILE HG2 H -0.063 0.007 . 219 205 23 ILE HD1 H 0.353 0.006 . 220 205 23 ILE C C 177.251 0.008 . 221 205 23 ILE CA C 66.202 0.05 . 222 205 23 ILE CB C 37.42 0.049 . 223 205 23 ILE CG1 C 29.087 0.052 . 224 205 23 ILE CG2 C 15.661 0.095 . 225 205 23 ILE CD1 C 14.476 0.023 . 226 205 23 ILE N N 119.767 0.082 . 227 206 24 ALA H H 8.639 0.008 . 228 206 24 ALA HA H 3.862 0.009 . 229 206 24 ALA HB H 1.396 0.014 . 230 206 24 ALA C C 173.771 0 . 231 206 24 ALA CA C 55.916 0.068 . 232 206 24 ALA CB C 18.04 0.088 . 233 206 24 ALA N N 120.849 0.072 . 234 207 25 GLU H H 7.892 0.003 . 235 207 25 GLU HA H 4.123 0.01 . 236 207 25 GLU HB2 H 2.081 0.016 . 237 207 25 GLU HB3 H 2.036 0.014 . 238 207 25 GLU HG2 H 2.24 0.006 . 239 207 25 GLU HG3 H 2.24 0.006 . 240 207 25 GLU C C 177.524 0.009 . 241 207 25 GLU CA C 58.803 0.062 . 242 207 25 GLU CB C 29.969 0.036 . 243 207 25 GLU CG C 36.611 0.012 . 244 207 25 GLU N N 116.512 0.028 . 245 208 26 SER H H 7.33 0.003 . 246 208 26 SER HA H 5.017 0.008 . 247 208 26 SER HB2 H 4.621 0.01 . 248 208 26 SER HB3 H 3.947 0.008 . 249 208 26 SER C C 176.375 0.005 . 250 208 26 SER CA C 57.338 0.104 . 251 208 26 SER CB C 64.42 0.058 . 252 208 26 SER N N 113.715 0.038 . 253 209 27 PHE H H 7.37 0.002 . 254 209 27 PHE HA H 4.349 0.009 . 255 209 27 PHE HB2 H 3.751 0.013 . 256 209 27 PHE HB3 H 3.079 0.009 . 257 209 27 PHE HD1 H 7.21 0.007 . 258 209 27 PHE HD2 H 7.21 0.007 . 259 209 27 PHE HE1 H 7.318 0.005 . 260 209 27 PHE HE2 H 7.318 0.005 . 261 209 27 PHE HZ H 7.104 0.004 . 262 209 27 PHE C C 175.263 0.012 . 263 209 27 PHE CA C 63.011 0.069 . 264 209 27 PHE CB C 40.862 0.042 . 265 209 27 PHE CD1 C 132.045 0.133 . 266 209 27 PHE CE1 C 129.333 0 . 267 209 27 PHE N N 125.661 0.059 . 268 210 28 SER H H 8.531 0.003 . 269 210 28 SER HA H 4.709 0.003 . 270 210 28 SER HB2 H 3.924 0.008 . 271 210 28 SER HB3 H 3.963 0.009 . 272 210 28 SER C C 175.537 0.003 . 273 210 28 SER CA C 57.173 0.071 . 274 210 28 SER CB C 64.132 0.062 . 275 210 28 SER N N 106.035 0.05 . 276 211 29 LYS H H 7.37 0.003 . 277 211 29 LYS HA H 3.93 0.007 . 278 211 29 LYS HB2 H 1.781 0.008 . 279 211 29 LYS HB3 H 1.781 0.008 . 280 211 29 LYS HG2 H 1.122 0.009 . 281 211 29 LYS HG3 H 0.679 0.007 . 282 211 29 LYS C C 174.795 0.003 . 283 211 29 LYS CA C 57.101 0.112 . 284 211 29 LYS CB C 32.569 0.14 . 285 211 29 LYS CG C 24.591 0.02 . 286 211 29 LYS N N 127.193 0.054 . 287 212 30 LYS H H 8.503 0.002 . 288 212 30 LYS HA H 4.255 0.007 . 289 212 30 LYS HB2 H 1.815 0.007 . 290 212 30 LYS HB3 H 1.581 0.014 . 291 212 30 LYS C C 175.625 0.011 . 292 212 30 LYS CA C 56.379 0.069 . 293 212 30 LYS CB C 32.727 0.023 . 294 212 30 LYS CG C 26.295 0 . 295 212 30 LYS CD C 29.063 0 . 296 212 30 LYS N N 124.776 0.052 . 297 213 31 TYR H H 8.792 0.003 . 298 213 31 TYR HA H 4.531 0.008 . 299 213 31 TYR HB2 H 2.662 0.016 . 300 213 31 TYR HB3 H 2.559 0.016 . 301 213 31 TYR HD1 H 7.186 0.015 . 302 213 31 TYR HD2 H 7.186 0.015 . 303 213 31 TYR HE1 H 6.919 0.007 . 304 213 31 TYR HE2 H 6.919 0.007 . 305 213 31 TYR C C 181.549 0.013 . 306 213 31 TYR CA C 57.484 0.087 . 307 213 31 TYR CB C 41.404 0.148 . 308 213 31 TYR CD1 C 133.764 0.061 . 309 213 31 TYR CE1 C 117.524 0.146 . 310 213 31 TYR N N 124.759 0.074 . 311 214 32 LYS H H 8.189 0.003 . 312 214 32 LYS HA H 4.432 0.009 . 313 214 32 LYS HB2 H 1.556 0.015 . 314 214 32 LYS HB3 H 1.381 0.009 . 315 214 32 LYS C C 175.192 0.005 . 316 214 32 LYS CA C 56.119 0.137 . 317 214 32 LYS CB C 34.459 0.031 . 318 214 32 LYS CG C 25.456 0 . 319 214 32 LYS CD C 29.832 0 . 320 214 32 LYS N N 118.238 0.054 . 321 215 33 PHE H H 8.622 0.006 . 322 215 33 PHE HA H 4.603 0.008 . 323 215 33 PHE HB2 H 1.094 0.013 . 324 215 33 PHE HB3 H 2.323 0.011 . 325 215 33 PHE HD1 H 6.927 0.016 . 326 215 33 PHE HD2 H 6.927 0.016 . 327 215 33 PHE HE1 H 7.212 0 . 328 215 33 PHE HE2 H 7.212 0 . 329 215 33 PHE HZ H 7.178 0 . 330 215 33 PHE C C 180.266 0 . 331 215 33 PHE CA C 55.444 0.042 . 332 215 33 PHE CB C 42.207 0.07 . 333 215 33 PHE CD1 C 132.189 0.065 . 334 215 33 PHE CE1 C 130.886 0 . 335 215 33 PHE CZ C 131.102 0 . 336 215 33 PHE N N 118.702 0.043 . 337 216 34 PRO HA H 4.783 0.01 . 338 216 34 PRO HB2 H 2.287 0.005 . 339 216 34 PRO HB3 H 2.098 0.009 . 340 216 34 PRO HD2 H 3.672 0.009 . 341 216 34 PRO HD3 H 3.672 0.009 . 342 216 34 PRO C C 176.604 0 . 343 216 34 PRO CA C 62.346 0.089 . 344 216 34 PRO CB C 31.881 0.043 . 345 216 34 PRO CD C 49.61 0.066 . 346 217 35 SER H H 8.557 0.006 . 347 217 35 SER HA H 5.06 0.012 . 348 217 35 SER HB2 H 4.007 0.007 . 349 217 35 SER HB3 H 3.638 0.009 . 350 217 35 SER C C 176.314 0.01 . 351 217 35 SER CA C 56.43 0.069 . 352 217 35 SER CB C 64.891 0.08 . 353 217 35 SER N N 119.522 0.056 . 354 218 36 ARG H H 8.436 0.003 . 355 218 36 ARG C C 176.318 0 . 356 218 36 ARG CA C 58.901 0 . 357 218 36 ARG CB C 29.947 0 . 358 218 36 ARG N N 123.469 0.055 . 359 219 37 SER HA H 4.584 0.007 . 360 219 37 SER HB2 H 3.952 0.007 . 361 219 37 SER HB3 H 3.865 0.005 . 362 219 37 SER C C 174.267 0 . 363 219 37 SER CA C 58.035 0.089 . 364 219 37 SER CB C 62.849 0.07 . 365 220 38 SER H H 7.772 0.003 . 366 220 38 SER HA H 4.38 0.009 . 367 220 38 SER HB2 H 4.06 0.003 . 368 220 38 SER HB3 H 4.06 0.003 . 369 220 38 SER C C 173.949 0 . 370 220 38 SER CA C 59.646 0.053 . 371 220 38 SER CB C 62.735 0.061 . 372 220 38 SER N N 113.401 0.072 . 373 221 39 GLY H H 8.102 0.005 . 374 221 39 GLY HA2 H 4.186 0.012 . 375 221 39 GLY HA3 H 4.075 0.01 . 376 221 39 GLY C C 174.581 0.004 . 377 221 39 GLY CA C 44.848 0.106 . 378 221 39 GLY N N 109.501 0.042 . 379 222 40 ILE H H 8.577 0.004 . 380 222 40 ILE HA H 5.391 0.01 . 381 222 40 ILE HB H 1.817 0.009 . 382 222 40 ILE HG12 H 1.41 0.015 . 383 222 40 ILE HG13 H 1.126 0.013 . 384 222 40 ILE HG2 H 0.797 0.009 . 385 222 40 ILE HD1 H 0.751 0.009 . 386 222 40 ILE C C 176.137 0.002 . 387 222 40 ILE CA C 58.811 0.067 . 388 222 40 ILE CB C 42.898 0.048 . 389 222 40 ILE CG1 C 26.558 0.099 . 390 222 40 ILE CG2 C 19.3 0.055 . 391 222 40 ILE CD1 C 13.647 0.034 . 392 222 40 ILE N N 120.191 0.059 . 393 223 41 PHE H H 9.263 0.005 . 394 223 41 PHE HA H 5.082 0.012 . 395 223 41 PHE HB2 H 3.246 0.004 . 396 223 41 PHE HB3 H 3.017 0.012 . 397 223 41 PHE HD1 H 7.019 0.01 . 398 223 41 PHE HD2 H 7.019 0.01 . 399 223 41 PHE HE1 H 6.658 0.01 . 400 223 41 PHE HE2 H 6.658 0.01 . 401 223 41 PHE HZ H 5.574 0.013 . 402 223 41 PHE C C 179.798 0.007 . 403 223 41 PHE CA C 55.779 0.081 . 404 223 41 PHE CB C 41.774 0.099 . 405 223 41 PHE CD1 C 132.545 0.115 . 406 223 41 PHE CE1 C 130.35 0.079 . 407 223 41 PHE CZ C 129.358 0.071 . 408 223 41 PHE N N 121.734 0.046 . 409 224 42 LEU H H 8.572 0.006 . 410 224 42 LEU HA H 5.646 0.012 . 411 224 42 LEU HB2 H 1.888 0.013 . 412 224 42 LEU HB3 H 1.276 0.016 . 413 224 42 LEU HG H 1.683 0.012 . 414 224 42 LEU HD1 H 0.893 0.008 . 415 224 42 LEU HD2 H 0.679 0.01 . 416 224 42 LEU C C 177.192 0.001 . 417 224 42 LEU CA C 52.91 0.086 . 418 224 42 LEU CB C 44.359 0.086 . 419 224 42 LEU CG C 27.33 0.06 . 420 224 42 LEU CD1 C 25.501 0.064 . 421 224 42 LEU CD2 C 24.12 0.084 . 422 224 42 LEU N N 120.219 0.062 . 423 225 43 TYR H H 9.243 0.006 . 424 225 43 TYR HA H 4.917 0.014 . 425 225 43 TYR HB2 H 3.042 0.014 . 426 225 43 TYR HB3 H 2.939 0.017 . 427 225 43 TYR HD1 H 7.113 0.007 . 428 225 43 TYR HD2 H 7.113 0.007 . 429 225 43 TYR HE1 H 6.537 0.007 . 430 225 43 TYR HE2 H 6.537 0.007 . 431 225 43 TYR C C 180.754 0.015 . 432 225 43 TYR CA C 58.694 0.094 . 433 225 43 TYR CB C 45.681 0.059 . 434 225 43 TYR CD1 C 133.822 0.022 . 435 225 43 TYR CE1 C 118.321 0.109 . 436 225 43 TYR N N 124.342 0.062 . 437 226 44 ASN H H 6.933 0.007 . 438 226 44 ASN HA H 5.058 0.011 . 439 226 44 ASN HB2 H 3.201 0.01 . 440 226 44 ASN HB3 H 2.632 0.008 . 441 226 44 ASN HD21 H 7.162 0.006 . 442 226 44 ASN HD22 H 6.777 0.001 . 443 226 44 ASN C C 173.844 0 . 444 226 44 ASN CA C 51.115 0.08 . 445 226 44 ASN CB C 41.816 0.084 . 446 226 44 ASN N N 118.446 0.047 . 447 226 44 ASN ND2 N 108.081 0.05 . 448 227 45 PHE H H 9.249 0.002 . 449 227 45 PHE HA H 3.932 0.01 . 450 227 45 PHE HB2 H 2.919 0.014 . 451 227 45 PHE HB3 H 2.344 0.015 . 452 227 45 PHE HD1 H 7.505 0.007 . 453 227 45 PHE HD2 H 7.505 0.007 . 454 227 45 PHE HE1 H 7.107 0.01 . 455 227 45 PHE HE2 H 7.107 0.01 . 456 227 45 PHE HZ H 6.529 0 . 457 227 45 PHE C C 179.608 0.005 . 458 227 45 PHE CA C 62.04 0.143 . 459 227 45 PHE CB C 39.072 0.139 . 460 227 45 PHE CD1 C 133.687 0 . 461 227 45 PHE N N 115.878 0.076 . 462 228 46 GLU H H 7.175 0.007 . 463 228 46 GLU HA H 3.501 0.007 . 464 228 46 GLU HB2 H 1.675 0.008 . 465 228 46 GLU HB3 H 1.873 0.013 . 466 228 46 GLU HG2 H 2.185 0.012 . 467 228 46 GLU HG3 H 2.313 0.012 . 468 228 46 GLU C C 178.234 0.014 . 469 228 46 GLU CA C 59.331 0.063 . 470 228 46 GLU CB C 29.246 0.041 . 471 228 46 GLU CG C 36.241 0.079 . 472 228 46 GLU N N 120.78 0.044 . 473 229 47 GLN H H 7.599 0.004 . 474 229 47 GLN HA H 3.863 0.009 . 475 229 47 GLN HB2 H 1.378 0.014 . 476 229 47 GLN HB3 H 1.784 0.009 . 477 229 47 GLN HG2 H 2.438 0.013 . 478 229 47 GLN HG3 H 2.23 0.008 . 479 229 47 GLN HE21 H 7.099 0.004 . 480 229 47 GLN HE22 H 6.872 0.002 . 481 229 47 GLN C C 177.091 0.003 . 482 229 47 GLN CA C 57.917 0.06 . 483 229 47 GLN CB C 29.678 0.073 . 484 229 47 GLN CG C 35.778 0.058 . 485 229 47 GLN N N 116.252 0.064 . 486 229 47 GLN NE2 N 110.534 0.07 . 487 230 48 LEU H H 7.545 0.004 . 488 230 48 LEU HA H 4.091 0.013 . 489 230 48 LEU HB2 H 1.377 0.009 . 490 230 48 LEU HB3 H 1.377 0.009 . 491 230 48 LEU HG H 1.74 0.008 . 492 230 48 LEU HD1 H 0.939 0.014 . 493 230 48 LEU HD2 H 0.839 0.01 . 494 230 48 LEU C C 176.906 0 . 495 230 48 LEU CA C 56.648 0.082 . 496 230 48 LEU CB C 41.909 0.052 . 497 230 48 LEU CG C 26.771 0.018 . 498 230 48 LEU CD1 C 23.231 0.076 . 499 230 48 LEU CD2 C 24.706 0.073 . 500 230 48 LEU N N 117.637 0.045 . 501 231 49 LYS HA H 3.976 0.015 . 502 231 49 LYS HB2 H 2.07 0.015 . 503 231 49 LYS HB3 H 1.939 0.007 . 504 231 49 LYS HG2 H 1.403 0.016 . 505 231 49 LYS HG3 H 1.403 0.016 . 506 231 49 LYS C C 175.504 0 . 507 231 49 LYS CA C 56.705 0.07 . 508 231 49 LYS CB C 28.994 0.063 . 509 231 49 LYS CG C 24.608 0.025 . 510 232 50 MET H H 8.251 0.01 . 511 232 50 MET HA H 4.646 0.01 . 512 232 50 MET HB2 H 1.442 0.014 . 513 232 50 MET HB3 H 2.302 0.016 . 514 232 50 MET HG2 H 2.434 0.01 . 515 232 50 MET HG3 H 2.622 0.015 . 516 232 50 MET HE H 1.887 0.005 . 517 232 50 MET C C 176.004 0.006 . 518 232 50 MET CA C 54.209 0.077 . 519 232 50 MET CB C 38.987 0.027 . 520 232 50 MET CG C 31.415 0.066 . 521 232 50 MET CE C 15.825 0.028 . 522 232 50 MET N N 116.492 0.097 . 523 233 51 ASN H H 9.156 0.003 . 524 233 51 ASN HA H 4.656 0.012 . 525 233 51 ASN HB2 H 2.939 0.006 . 526 233 51 ASN HB3 H 2.939 0.006 . 527 233 51 ASN HD21 H 6.965 0.003 . 528 233 51 ASN HD22 H 7.748 0.006 . 529 233 51 ASN C C 176.638 0.005 . 530 233 51 ASN CA C 52.922 0.1 . 531 233 51 ASN CB C 38.667 0.073 . 532 233 51 ASN N N 120.886 0.057 . 533 233 51 ASN ND2 N 113.756 0.055 . 534 234 52 LEU H H 8.949 0.003 . 535 234 52 LEU HA H 3.996 0.011 . 536 234 52 LEU HB2 H 1.76 0.012 . 537 234 52 LEU HB3 H 1.432 0.012 . 538 234 52 LEU HG H 1.563 0.013 . 539 234 52 LEU HD1 H 0.854 0.007 . 540 234 52 LEU HD2 H 0.83 0.01 . 541 234 52 LEU C C 177.726 0.007 . 542 234 52 LEU CA C 58.828 0.089 . 543 234 52 LEU CB C 41.816 0.077 . 544 234 52 LEU CG C 26.837 0.082 . 545 234 52 LEU CD1 C 23.658 0.066 . 546 234 52 LEU CD2 C 25.834 0.062 . 547 234 52 LEU N N 124.914 0.042 . 548 235 53 ASP H H 8.547 0.003 . 549 235 53 ASP HA H 4.196 0.007 . 550 235 53 ASP HB2 H 2.626 0.008 . 551 235 53 ASP HB3 H 2.55 0.013 . 552 235 53 ASP C C 178.738 0.007 . 553 235 53 ASP CA C 57.578 0.087 . 554 235 53 ASP CB C 40.019 0.054 . 555 235 53 ASP N N 115.794 0.073 . 556 236 54 ASP H H 7.51 0.005 . 557 236 54 ASP HA H 4.524 0.012 . 558 236 54 ASP HB2 H 2.806 0.014 . 559 236 54 ASP HB3 H 2.673 0.014 . 560 236 54 ASP C C 178.88 0.006 . 561 236 54 ASP CA C 57.237 0.098 . 562 236 54 ASP CB C 40.532 0.03 . 563 236 54 ASP N N 119.125 0.057 . 564 237 55 ILE H H 7.946 0.004 . 565 237 55 ILE HA H 3.49 0.013 . 566 237 55 ILE HB H 2.115 0.007 . 567 237 55 ILE HG12 H 2.06 0.014 . 568 237 55 ILE HG13 H 2.06 0.014 . 569 237 55 ILE HG2 H 0.978 0.009 . 570 237 55 ILE HD1 H 1.105 0.005 . 571 237 55 ILE C C 177.512 0.008 . 572 237 55 ILE CA C 66.32 0.025 . 573 237 55 ILE CB C 38.111 0.053 . 574 237 55 ILE CG2 C 18.833 0.049 . 575 237 55 ILE CD1 C 14.882 0.03 . 576 237 55 ILE N N 121.481 0.051 . 577 238 56 VAL H H 8.544 0.005 . 578 238 56 VAL HA H 3.197 0.006 . 579 238 56 VAL HB H 2.22 0.01 . 580 238 56 VAL HG1 H 0.887 0.011 . 581 238 56 VAL HG2 H 0.941 0.017 . 582 238 56 VAL C C 176.611 0.019 . 583 238 56 VAL CA C 67.029 0.074 . 584 238 56 VAL CB C 31.393 0.06 . 585 238 56 VAL CG1 C 20.944 0.033 . 586 238 56 VAL CG2 C 22.943 0.053 . 587 238 56 VAL N N 119.955 0.092 . 588 239 57 LYS H H 7.521 0.003 . 589 239 57 LYS HA H 3.795 0.007 . 590 239 57 LYS HB2 H 1.934 0.007 . 591 239 57 LYS HB3 H 1.934 0.007 . 592 239 57 LYS HG2 H 1.497 0 . 593 239 57 LYS HG3 H 1.497 0 . 594 239 57 LYS C C 179.214 0 . 595 239 57 LYS CA C 59.82 0.022 . 596 239 57 LYS CB C 32.495 0.091 . 597 239 57 LYS CG C 25.223 0 . 598 239 57 LYS N N 116.126 0.05 . 599 240 58 GLU H H 7.386 0.005 . 600 240 58 GLU HA H 4.197 0.006 . 601 240 58 GLU HB2 H 2.168 0.01 . 602 240 58 GLU HB3 H 2.168 0.01 . 603 240 58 GLU HG2 H 2.359 0.007 . 604 240 58 GLU HG3 H 2.359 0.007 . 605 240 58 GLU C C 179.044 0.018 . 606 240 58 GLU CA C 57.948 0.083 . 607 240 58 GLU CB C 30.226 0.016 . 608 240 58 GLU CG C 37.084 0.062 . 609 240 58 GLU N N 117.179 0.065 . 610 241 59 ALA H H 8.899 0.004 . 611 241 59 ALA HA H 3.79 0.013 . 612 241 59 ALA HB H 1.321 0.009 . 613 241 59 ALA C C 178.288 0.001 . 614 241 59 ALA CA C 54.467 0.096 . 615 241 59 ALA CB C 19.094 0.035 . 616 241 59 ALA N N 122.639 0.029 . 617 242 60 LYS H H 7.357 0.005 . 618 242 60 LYS HA H 3.635 0.015 . 619 242 60 LYS HB2 H 1.811 0.013 . 620 242 60 LYS HB3 H 1.724 0.009 . 621 242 60 LYS HG2 H 1.898 0 . 622 242 60 LYS HG3 H 1.005 0.006 . 623 242 60 LYS C C 176.963 0.009 . 624 242 60 LYS CA C 58.836 0.098 . 625 242 60 LYS CB C 32.276 0.068 . 626 242 60 LYS CG C 25.325 0.019 . 627 242 60 LYS N N 111.729 0.053 . 628 243 61 ASN H H 7.616 0.006 . 629 243 61 ASN HA H 4.59 0.012 . 630 243 61 ASN HB2 H 3.031 0.013 . 631 243 61 ASN HB3 H 2.952 0.015 . 632 243 61 ASN HD21 H 7.728 0.001 . 633 243 61 ASN HD22 H 7.047 0.001 . 634 243 61 ASN C C 174.948 0.001 . 635 243 61 ASN CA C 53.311 0.056 . 636 243 61 ASN CB C 38.84 0.114 . 637 243 61 ASN N N 115.22 0.064 . 638 243 61 ASN ND2 N 114.73 0.083 . 639 244 62 VAL H H 7.249 0.003 . 640 244 62 VAL HA H 2.705 0.012 . 641 244 62 VAL HB H 1.968 0.007 . 642 244 62 VAL HG1 H 0.463 0.007 . 643 244 62 VAL HG2 H 0.298 0.009 . 644 244 62 VAL C C 174.324 0 . 645 244 62 VAL CA C 60.484 0.096 . 646 244 62 VAL CB C 30.692 0.045 . 647 244 62 VAL CG1 C 21.027 0.054 . 648 244 62 VAL CG2 C 21.313 0.032 . 649 244 62 VAL N N 124.123 0.049 . 650 245 63 PRO HA H 4.115 0.009 . 651 245 63 PRO HB2 H 2.208 0.014 . 652 245 63 PRO HB3 H 1.885 0.013 . 653 245 63 PRO HD2 H 3.578 0.013 . 654 245 63 PRO HD3 H 2.882 0.009 . 655 245 63 PRO C C 176.106 0.002 . 656 245 63 PRO CA C 64.69 0.057 . 657 245 63 PRO CB C 31.854 0.027 . 658 245 63 PRO CG C 27.55 0 . 659 245 63 PRO CD C 51.352 0.063 . 660 246 64 GLY H H 8.169 0.002 . 661 246 64 GLY HA2 H 4.239 0.01 . 662 246 64 GLY HA3 H 3.635 0.007 . 663 246 64 GLY C C 175.591 0 . 664 246 64 GLY CA C 45.743 0.063 . 665 246 64 GLY N N 110.328 0.089 . 666 247 65 VAL H H 7.526 0.005 . 667 247 65 VAL HA H 3.43 0.012 . 668 247 65 VAL HB H 2.245 0.016 . 669 247 65 VAL HG1 H 0.697 0.01 . 670 247 65 VAL HG2 H 0.729 0.008 . 671 247 65 VAL C C 177.344 0.001 . 672 247 65 VAL CA C 67.754 0.028 . 673 247 65 VAL CB C 30.688 0.038 . 674 247 65 VAL CG1 C 21.128 0.057 . 675 247 65 VAL CG2 C 25.341 0.029 . 676 247 65 VAL N N 120.836 0.051 . 677 248 66 THR H H 8.932 0.002 . 678 248 66 THR HA H 3.742 0.01 . 679 248 66 THR HB H 4.267 0.006 . 680 248 66 THR HG2 H 1.282 0.01 . 681 248 66 THR C C 176.312 0 . 682 248 66 THR CA C 66.579 0.096 . 683 248 66 THR CB C 67.451 0.074 . 684 248 66 THR CG2 C 23.011 0.055 . 685 248 66 THR N N 112.642 0.057 . 686 249 67 ARG H H 7.566 0.005 . 687 249 67 ARG HA H 3.958 0.009 . 688 249 67 ARG HB2 H 1.827 0.015 . 689 249 67 ARG HB3 H 1.827 0.015 . 690 249 67 ARG HG2 H 1.605 0.011 . 691 249 67 ARG HG3 H 1.605 0.011 . 692 249 67 ARG HD2 H 3.117 0.003 . 693 249 67 ARG HD3 H 3.207 0.007 . 694 249 67 ARG C C 178.448 0.005 . 695 249 67 ARG CA C 59.22 0.081 . 696 249 67 ARG CB C 29.441 0.075 . 697 249 67 ARG CG C 26.978 0.005 . 698 249 67 ARG CD C 42.934 0.052 . 699 249 67 ARG N N 122.608 0.034 . 700 250 68 LEU H H 7.878 0.004 . 701 250 68 LEU HA H 4.07 0.009 . 702 250 68 LEU HB2 H 1.118 0.015 . 703 250 68 LEU HB3 H 1.118 0.015 . 704 250 68 LEU HG H 1.813 0.013 . 705 250 68 LEU HD1 H 0.789 0.014 . 706 250 68 LEU HD2 H 0.953 0.008 . 707 250 68 LEU C C 179.118 0.004 . 708 250 68 LEU CA C 57.77 0.074 . 709 250 68 LEU CB C 42.841 0.027 . 710 250 68 LEU CG C 27.252 0.029 . 711 250 68 LEU CD1 C 25.835 0.075 . 712 250 68 LEU CD2 C 22.931 0.093 . 713 250 68 LEU N N 119.033 0.055 . 714 251 69 ALA H H 8.542 0.004 . 715 251 69 ALA HA H 4.015 0.013 . 716 251 69 ALA HB H 1.51 0.009 . 717 251 69 ALA C C 180.471 0.007 . 718 251 69 ALA CA C 54.782 0.034 . 719 251 69 ALA CB C 19.245 0.024 . 720 251 69 ALA N N 119.447 0.045 . 721 252 70 HIS H H 8.367 0.003 . 722 252 70 HIS HA H 4.104 0.008 . 723 252 70 HIS HB2 H 3.332 0.006 . 724 252 70 HIS HB3 H 3.192 0.004 . 725 252 70 HIS HD2 H 7.146 0.005 . 726 252 70 HIS HE1 H 8.186 0.014 . 727 252 70 HIS C C 175.939 0.007 . 728 252 70 HIS CA C 59.357 0.079 . 729 252 70 HIS CB C 28.851 0.056 . 730 252 70 HIS CD2 C 120.813 0 . 731 252 70 HIS CE1 C 137.215 0 . 732 252 70 HIS N N 118.878 0.049 . 733 253 71 ASP H H 7.663 0.003 . 734 253 71 ASP HA H 4.576 0.004 . 735 253 71 ASP HB2 H 2.807 0.007 . 736 253 71 ASP HB3 H 2.807 0.007 . 737 253 71 ASP C C 176.64 0.009 . 738 253 71 ASP CA C 54.562 0.082 . 739 253 71 ASP CB C 41.051 0.027 . 740 253 71 ASP N N 116.429 0.047 . 741 254 72 GLY H H 7.891 0.003 . 742 254 72 GLY HA2 H 4.03 0.01 . 743 254 72 GLY HA3 H 3.504 0.011 . 744 254 72 GLY C C 174.728 0.003 . 745 254 72 GLY CA C 45.768 0.051 . 746 254 72 GLY N N 109.053 0.047 . 747 255 73 SER H H 8.066 0.003 . 748 255 73 SER HA H 4.429 0.008 . 749 255 73 SER HB2 H 3.99 0.012 . 750 255 73 SER HB3 H 3.684 0.018 . 751 255 73 SER C C 172.95 0.006 . 752 255 73 SER CA C 58.314 0.062 . 753 255 73 SER CB C 64.398 0.08 . 754 255 73 SER N N 117.239 0.07 . 755 256 74 LYS H H 8.298 0.004 . 756 256 74 LYS HA H 4.232 0.011 . 757 256 74 LYS HB2 H 1.884 0.011 . 758 256 74 LYS HB3 H 1.884 0.011 . 759 256 74 LYS HG2 H 1.569 0 . 760 256 74 LYS HG3 H 1.569 0 . 761 256 74 LYS C C 177.254 0.01 . 762 256 74 LYS CA C 56.828 0.088 . 763 256 74 LYS CB C 32.436 0.037 . 764 256 74 LYS CG C 24.8 0 . 765 256 74 LYS N N 121.406 0.065 . 766 257 75 LEU H H 9.131 0.004 . 767 257 75 LEU HA H 4.385 0.01 . 768 257 75 LEU HB2 H 1.621 0.009 . 769 257 75 LEU HB3 H 0.814 0.017 . 770 257 75 LEU HG H 1.898 0.013 . 771 257 75 LEU HD1 H 0.784 0.013 . 772 257 75 LEU C C 175.917 0 . 773 257 75 LEU CA C 52.428 0.06 . 774 257 75 LEU CB C 42.59 0.099 . 775 257 75 LEU CG C 26.729 0.074 . 776 257 75 LEU CD1 C 26.236 0.09 . 777 257 75 LEU N N 123.042 0.034 . 778 258 76 PRO HA H 4.354 0.013 . 779 258 76 PRO HB2 H 1.269 0.009 . 780 258 76 PRO HB3 H 1.269 0.009 . 781 258 76 PRO HG2 H 1.744 0.013 . 782 258 76 PRO HG3 H 1.744 0.013 . 783 258 76 PRO HD2 H 3.346 0.01 . 784 258 76 PRO HD3 H 3.088 0.013 . 785 258 76 PRO C C 175.712 0.002 . 786 258 76 PRO CA C 61.192 0.018 . 787 258 76 PRO CB C 27.811 0.02 . 788 258 76 PRO CG C 27.18 0.134 . 789 258 76 PRO CD C 49.519 0.093 . 790 259 77 LEU H H 7.672 0.003 . 791 259 77 LEU HA H 3.754 0.009 . 792 259 77 LEU HB2 H 2.076 0.011 . 793 259 77 LEU HB3 H 1.463 0.008 . 794 259 77 LEU HG H 1.165 0.009 . 795 259 77 LEU HD1 H 1.148 0.014 . 796 259 77 LEU HD2 H 0.744 0.011 . 797 259 77 LEU C C 177.104 0.005 . 798 259 77 LEU CA C 59.026 0.211 . 799 259 77 LEU CB C 41.755 0.066 . 800 259 77 LEU CG C 26.785 0.032 . 801 259 77 LEU CD1 C 26.835 0.073 . 802 259 77 LEU CD2 C 23.553 0.044 . 803 259 77 LEU N N 125.513 0.029 . 804 260 78 ARG H H 8.236 0.007 . 805 260 78 ARG HA H 3.07 0.009 . 806 260 78 ARG HB2 H 1.528 0.01 . 807 260 78 ARG HB3 H 1.528 0.01 . 808 260 78 ARG C C 178.195 0.005 . 809 260 78 ARG CA C 60.488 0.096 . 810 260 78 ARG CB C 28.155 0.043 . 811 260 78 ARG CG C 27.247 0 . 812 260 78 ARG N N 120.371 0.075 . 813 261 79 CYS H H 7.865 0.006 . 814 261 79 CYS HA H 4.084 0.01 . 815 261 79 CYS HB2 H 3.305 0.007 . 816 261 79 CYS HB3 H 3.162 0.013 . 817 261 79 CYS C C 175.639 0.008 . 818 261 79 CYS CA C 62.283 0.095 . 819 261 79 CYS CB C 25.732 0.084 . 820 261 79 CYS N N 117.946 0.058 . 821 262 80 VAL H H 8.178 0.007 . 822 262 80 VAL HA H 3.601 0.013 . 823 262 80 VAL HB H 2.238 0.019 . 824 262 80 VAL HG1 H 0.994 0.013 . 825 262 80 VAL HG2 H 0.92 0.015 . 826 262 80 VAL C C 176.471 0.002 . 827 262 80 VAL CA C 67.064 0.092 . 828 262 80 VAL CB C 31.855 0.038 . 829 262 80 VAL CG1 C 22.073 0.005 . 830 262 80 VAL CG2 C 23.078 0.064 . 831 262 80 VAL N N 117.954 0.044 . 832 263 81 LEU H H 8.737 0.004 . 833 263 81 LEU HA H 3.586 0.011 . 834 263 81 LEU HB2 H 1.689 0.014 . 835 263 81 LEU HB3 H 0.593 0.01 . 836 263 81 LEU HG H 0.995 0.012 . 837 263 81 LEU HD1 H 0.209 0.011 . 838 263 81 LEU HD2 H 0.798 0.011 . 839 263 81 LEU C C 177.368 0.004 . 840 263 81 LEU CA C 57.958 0.107 . 841 263 81 LEU CB C 39.709 0.075 . 842 263 81 LEU CG C 26.235 0.052 . 843 263 81 LEU CD1 C 21.667 0.04 . 844 263 81 LEU CD2 C 27.644 0.084 . 845 263 81 LEU N N 119.046 0.045 . 846 264 82 GLY H H 8.488 0.004 . 847 264 82 GLY HA2 H 3.598 0.011 . 848 264 82 GLY HA3 H 3.105 0.011 . 849 264 82 GLY C C 173.41 0.001 . 850 264 82 GLY CA C 47.866 0.062 . 851 264 82 GLY N N 104.879 0.068 . 852 265 83 TRP H H 8.693 0.009 . 853 265 83 TRP HA H 3.838 0.006 . 854 265 83 TRP HB2 H 3.528 0.014 . 855 265 83 TRP HB3 H 3.398 0.007 . 856 265 83 TRP HD1 H 6.848 0.006 . 857 265 83 TRP HE1 H 10.528 0.003 . 858 265 83 TRP HE3 H 7.666 0.007 . 859 265 83 TRP HZ2 H 7.475 0.007 . 860 265 83 TRP HZ3 H 7.099 0.011 . 861 265 83 TRP HH2 H 7.234 0.009 . 862 265 83 TRP C C 179.52 0.005 . 863 265 83 TRP CA C 61.034 0.042 . 864 265 83 TRP CB C 29.055 0.066 . 865 265 83 TRP CD1 C 126.803 0.067 . 866 265 83 TRP CE3 C 120.166 0.064 . 867 265 83 TRP CZ2 C 114.875 0.039 . 868 265 83 TRP CZ3 C 121.693 0 . 869 265 83 TRP CH2 C 124.679 0.053 . 870 265 83 TRP N N 121.944 0.054 . 871 265 83 TRP NE1 N 131.176 0.027 . 872 266 84 VAL H H 8.733 0.003 . 873 266 84 VAL HA H 3.633 0.013 . 874 266 84 VAL HB H 2.15 0.014 . 875 266 84 VAL HG1 H 1.028 0.014 . 876 266 84 VAL HG2 H 1.207 0.01 . 877 266 84 VAL C C 178.973 0 . 878 266 84 VAL CA C 66.513 0.097 . 879 266 84 VAL CB C 32.368 0.037 . 880 266 84 VAL CG1 C 23.398 0.034 . 881 266 84 VAL CG2 C 22.623 0.051 . 882 266 84 VAL N N 117.832 0.053 . 883 267 85 ALA H H 9.235 0.003 . 884 267 85 ALA HA H 3.581 0.012 . 885 267 85 ALA HB H -0.06 0.009 . 886 267 85 ALA C C 179.201 0.006 . 887 267 85 ALA CA C 55.161 0.087 . 888 267 85 ALA CB C 16.717 0.037 . 889 267 85 ALA N N 124.245 0.041 . 890 268 86 LEU H H 8.111 0.005 . 891 268 86 LEU HA H 3.88 0.015 . 892 268 86 LEU HB2 H 1.65 0.008 . 893 268 86 LEU HB3 H 1.618 0.007 . 894 268 86 LEU HG H 1.662 0.007 . 895 268 86 LEU HD1 H 0.875 0.013 . 896 268 86 LEU HD2 H 0.835 0.018 . 897 268 86 LEU C C 178.388 0.003 . 898 268 86 LEU CA C 57.858 0.063 . 899 268 86 LEU CB C 41.856 0.097 . 900 268 86 LEU CG C 26.492 0.027 . 901 268 86 LEU CD1 C 24.043 0.041 . 902 268 86 LEU CD2 C 24.755 0.035 . 903 268 86 LEU N N 118.907 0.029 . 904 269 87 ALA H H 6.922 0.005 . 905 269 87 ALA HA H 4.169 0.005 . 906 269 87 ALA HB H 1.326 0.009 . 907 269 87 ALA C C 179.246 0.004 . 908 269 87 ALA CA C 53.347 0.04 . 909 269 87 ALA CB C 19.535 0.035 . 910 269 87 ALA N N 115.797 0.053 . 911 270 88 ASN H H 7.447 0.004 . 912 270 88 ASN HA H 4.916 0.012 . 913 270 88 ASN HB2 H 2.777 0.007 . 914 270 88 ASN HB3 H 2.47 0.015 . 915 270 88 ASN HD21 H 7.79 0.008 . 916 270 88 ASN HD22 H 8.139 0.003 . 917 270 88 ASN C C 174.608 0 . 918 270 88 ASN CA C 55.439 0.071 . 919 270 88 ASN CB C 44.28 0.034 . 920 270 88 ASN N N 112.295 0.055 . 921 270 88 ASN ND2 N 117.776 0.071 . 922 271 89 SER H H 8.915 0.003 . 923 271 89 SER HA H 4.967 0.014 . 924 271 89 SER HB2 H 4.03 0.013 . 925 271 89 SER HB3 H 3.839 0.01 . 926 271 89 SER C C 174.432 0.035 . 927 271 89 SER CA C 55.967 0.094 . 928 271 89 SER CB C 62.688 0.029 . 929 271 89 SER N N 115.055 0.046 . 930 272 90 LYS H H 9 0.005 . 931 272 90 LYS HA H 3.999 0.013 . 932 272 90 LYS HB2 H 1.859 0.016 . 933 272 90 LYS HB3 H 1.835 0.011 . 934 272 90 LYS HG2 H 1.512 0.008 . 935 272 90 LYS HG3 H 1.512 0.008 . 936 272 90 LYS C C 178.617 0.011 . 937 272 90 LYS CA C 59.036 0.175 . 938 272 90 LYS CB C 31.738 0.025 . 939 272 90 LYS CG C 25.012 0.074 . 940 272 90 LYS CD C 28.632 0 . 941 272 90 LYS N N 132.231 0.027 . 942 273 91 LYS H H 8.247 0.004 . 943 273 91 LYS HA H 3.919 0.014 . 944 273 91 LYS HB2 H 1.892 0.011 . 945 273 91 LYS HB3 H 1.767 0.01 . 946 273 91 LYS HG2 H 1.485 0.008 . 947 273 91 LYS HG3 H 1.485 0.008 . 948 273 91 LYS HD2 H 1.38 0.008 . 949 273 91 LYS HD3 H 1.38 0.008 . 950 273 91 LYS HE2 H 3.244 0 . 951 273 91 LYS HE3 H 3.244 0 . 952 273 91 LYS C C 178.142 0.001 . 953 273 91 LYS CA C 59.352 0.069 . 954 273 91 LYS CB C 32.365 0.074 . 955 273 91 LYS CG C 25.201 0 . 956 273 91 LYS CD C 29.248 0 . 957 273 91 LYS N N 118.083 0.041 . 958 274 92 PHE H H 7.787 0.004 . 959 274 92 PHE HA H 3.416 0.013 . 960 274 92 PHE HB2 H 2.305 0.019 . 961 274 92 PHE HB3 H 2.917 0.009 . 962 274 92 PHE HD1 H 6.15 0 . 963 274 92 PHE HD2 H 6.15 0 . 964 274 92 PHE C C 176.707 0.004 . 965 274 92 PHE CA C 61.535 0.097 . 966 274 92 PHE CB C 39.56 0.07 . 967 274 92 PHE N N 119.369 0.052 . 968 275 93 GLN H H 8.111 0.003 . 969 275 93 GLN HA H 3.671 0.008 . 970 275 93 GLN HB2 H 2.347 0.012 . 971 275 93 GLN HB3 H 1.986 0.009 . 972 275 93 GLN HG2 H 2.797 0.011 . 973 275 93 GLN HG3 H 2.542 0.007 . 974 275 93 GLN HE21 H 6.947 0.003 . 975 275 93 GLN HE22 H 6.62 0.004 . 976 275 93 GLN C C 178.011 0.003 . 977 275 93 GLN CA C 59.126 0.186 . 978 275 93 GLN CB C 28.061 0.062 . 979 275 93 GLN CG C 33.919 0.078 . 980 275 93 GLN N N 115.18 0.056 . 981 275 93 GLN NE2 N 108.556 0.076 . 982 276 94 LEU H H 7.535 0.005 . 983 276 94 LEU HA H 4.093 0.013 . 984 276 94 LEU HB2 H 1.747 0.01 . 985 276 94 LEU HB3 H 1.531 0.009 . 986 276 94 LEU HG H 1.927 0 . 987 276 94 LEU HD1 H 0.846 0.004 . 988 276 94 LEU HD2 H 0.847 0.006 . 989 276 94 LEU C C 178.363 0.014 . 990 276 94 LEU CA C 56.693 0.043 . 991 276 94 LEU CB C 42.404 0.047 . 992 276 94 LEU CG C 26.809 0 . 993 276 94 LEU CD1 C 24.739 0.11 . 994 276 94 LEU CD2 C 23.406 0.036 . 995 276 94 LEU N N 116.457 0.072 . 996 277 95 LEU H H 7.201 0.003 . 997 277 95 LEU HA H 3.846 0.009 . 998 277 95 LEU HB2 H 0.695 0.012 . 999 277 95 LEU HB3 H -0.163 0.009 . 1000 277 95 LEU HG H 1.378 0.013 . 1001 277 95 LEU HD1 H 0.391 0.01 . 1002 277 95 LEU HD2 H 0.469 0.01 . 1003 277 95 LEU C C 177.929 0.002 . 1004 277 95 LEU CA C 55.935 0.087 . 1005 277 95 LEU CB C 43.003 0.071 . 1006 277 95 LEU CG C 26.029 0.046 . 1007 277 95 LEU CD1 C 25.406 0.094 . 1008 277 95 LEU CD2 C 22.306 0.04 . 1009 277 95 LEU N N 118.659 0.048 . 1010 278 96 VAL H H 7.413 0.003 . 1011 278 96 VAL HA H 4.475 0.012 . 1012 278 96 VAL HB H 1.232 0.009 . 1013 278 96 VAL HG1 H 0.651 0.013 . 1014 278 96 VAL HG2 H 0.968 0.007 . 1015 278 96 VAL C C 180.638 0.006 . 1016 278 96 VAL CA C 60.965 0.082 . 1017 278 96 VAL CB C 33.006 0.11 . 1018 278 96 VAL CG1 C 20.609 0.053 . 1019 278 96 VAL CG2 C 23.69 0.081 . 1020 278 96 VAL N N 119.221 0.072 . 1021 279 97 GLU H H 7.571 0.005 . 1022 279 97 GLU HA H 4.411 0.006 . 1023 279 97 GLU HB2 H 2.326 0.006 . 1024 279 97 GLU HB3 H 1.339 0.007 . 1025 279 97 GLU HG2 H 2.468 0.008 . 1026 279 97 GLU HG3 H 2.397 0.006 . 1027 279 97 GLU C C 176.527 0.007 . 1028 279 97 GLU CA C 55.695 0.066 . 1029 279 97 GLU CB C 29.136 0.116 . 1030 279 97 GLU CG C 38.619 0.092 . 1031 279 97 GLU N N 128.804 0.052 . 1032 280 98 ALA H H 8.708 0.003 . 1033 280 98 ALA HA H 3.856 0.01 . 1034 280 98 ALA HB H 1.437 0.011 . 1035 280 98 ALA C C 179.444 0.001 . 1036 280 98 ALA CA C 56.038 0.087 . 1037 280 98 ALA CB C 18.536 0.036 . 1038 280 98 ALA N N 127.944 0.033 . 1039 281 99 ASN H H 8.786 0.003 . 1040 281 99 ASN HA H 4.548 0.014 . 1041 281 99 ASN HB2 H 3.181 0.008 . 1042 281 99 ASN HB3 H 2.885 0.009 . 1043 281 99 ASN HD21 H 7.999 0.002 . 1044 281 99 ASN HD22 H 7.045 0.001 . 1045 281 99 ASN C C 178.883 0.011 . 1046 281 99 ASN CA C 56.637 0.063 . 1047 281 99 ASN CB C 37.968 0.048 . 1048 281 99 ASN N N 118.263 0.068 . 1049 281 99 ASN ND2 N 114.717 0.08 . 1050 282 100 LYS H H 8.532 0.003 . 1051 282 100 LYS HA H 4.132 0.013 . 1052 282 100 LYS HB2 H 1.879 0.009 . 1053 282 100 LYS HB3 H 1.879 0.009 . 1054 282 100 LYS HG2 H 1.581 0.014 . 1055 282 100 LYS HG3 H 1.53 0 . 1056 282 100 LYS C C 179.733 0.01 . 1057 282 100 LYS CA C 59.312 0.048 . 1058 282 100 LYS CB C 32.928 0.037 . 1059 282 100 LYS CG C 26.139 0.013 . 1060 282 100 LYS N N 121.616 0.054 . 1061 283 101 LEU H H 8.615 0.002 . 1062 283 101 LEU HA H 4.158 0.013 . 1063 283 101 LEU HB2 H 2.13 0.009 . 1064 283 101 LEU HB3 H 1.5 0.017 . 1065 283 101 LEU HG H 1.864 0.008 . 1066 283 101 LEU HD1 H 1.299 0.011 . 1067 283 101 LEU HD2 H 1.185 0.009 . 1068 283 101 LEU C C 177.531 0.001 . 1069 283 101 LEU CA C 57.852 0.107 . 1070 283 101 LEU CB C 41.487 0.105 . 1071 283 101 LEU CG C 26.796 0.066 . 1072 283 101 LEU CD1 C 24.036 0.07 . 1073 283 101 LEU CD2 C 27.34 0.083 . 1074 283 101 LEU N N 119.768 0.046 . 1075 284 102 ASN H H 8.305 0.007 . 1076 284 102 ASN HA H 4.447 0.008 . 1077 284 102 ASN HB2 H 2.966 0.012 . 1078 284 102 ASN HB3 H 2.858 0.007 . 1079 284 102 ASN HD21 H 7.566 0.001 . 1080 284 102 ASN HD22 H 6.756 0.002 . 1081 284 102 ASN C C 177.391 0.008 . 1082 284 102 ASN CA C 57.203 0.108 . 1083 284 102 ASN CB C 38.425 0.058 . 1084 284 102 ASN N N 118.035 0.096 . 1085 284 102 ASN ND2 N 111.684 0.034 . 1086 285 103 LYS H H 7.315 0.003 . 1087 285 103 LYS HA H 4.136 0.006 . 1088 285 103 LYS HB2 H 2.009 0.013 . 1089 285 103 LYS HB3 H 2.009 0.013 . 1090 285 103 LYS HG2 H 1.544 0.012 . 1091 285 103 LYS HG3 H 1.544 0.012 . 1092 285 103 LYS C C 178.304 0.006 . 1093 285 103 LYS CA C 59.378 0.094 . 1094 285 103 LYS CB C 32.258 0.04 . 1095 285 103 LYS CG C 24.96 0.035 . 1096 285 103 LYS CD C 28.706 0 . 1097 285 103 LYS N N 119.326 0.025 . 1098 286 104 ILE H H 7.908 0.003 . 1099 286 104 ILE HA H 3.918 0.012 . 1100 286 104 ILE HB H 2.042 0.01 . 1101 286 104 ILE HG12 H 1.813 0.01 . 1102 286 104 ILE HG13 H 1.281 0.008 . 1103 286 104 ILE HG2 H 0.909 0.009 . 1104 286 104 ILE HD1 H 0.888 0.011 . 1105 286 104 ILE C C 178.239 0.022 . 1106 286 104 ILE CA C 64.872 0.066 . 1107 286 104 ILE CB C 38.74 0.072 . 1108 286 104 ILE CG1 C 29.232 0.066 . 1109 286 104 ILE CG2 C 16.379 0.033 . 1110 286 104 ILE CD1 C 14.193 0.056 . 1111 286 104 ILE N N 119.743 0.037 . 1112 287 105 MET H H 8.795 0.004 . 1113 287 105 MET HA H 4.182 0.013 . 1114 287 105 MET HB2 H 2.5 0.017 . 1115 287 105 MET HB3 H 2.292 0.018 . 1116 287 105 MET HG2 H 2.593 0.012 . 1117 287 105 MET HG3 H 3.101 0.008 . 1118 287 105 MET HE H 2.14 0.005 . 1119 287 105 MET C C 177.888 0.015 . 1120 287 105 MET CA C 60.43 0.092 . 1121 287 105 MET CB C 33.224 0.042 . 1122 287 105 MET CG C 31.816 0.107 . 1123 287 105 MET CE C 16.032 0.021 . 1124 287 105 MET N N 117.919 0.097 . 1125 288 106 GLN H H 8.027 0.009 . 1126 288 106 GLN HA H 4.065 0.011 . 1127 288 106 GLN HB2 H 2.251 0.004 . 1128 288 106 GLN HB3 H 2.293 0.001 . 1129 288 106 GLN HG2 H 2.536 0.005 . 1130 288 106 GLN HG3 H 2.558 0.004 . 1131 288 106 GLN HE21 H 7.499 0.001 . 1132 288 106 GLN HE22 H 6.905 0 . 1133 288 106 GLN C C 178.565 0.004 . 1134 288 106 GLN CA C 59.132 0.17 . 1135 288 106 GLN CB C 28.527 0.065 . 1136 288 106 GLN CG C 34.027 0.009 . 1137 288 106 GLN N N 117.269 0.098 . 1138 288 106 GLN NE2 N 112.481 0.027 . 1139 289 107 ASP H H 8.336 0.005 . 1140 289 107 ASP HA H 4.49 0.011 . 1141 289 107 ASP HB2 H 2.918 0.011 . 1142 289 107 ASP HB3 H 2.752 0.012 . 1143 289 107 ASP C C 179.226 0.009 . 1144 289 107 ASP CA C 57.573 0.112 . 1145 289 107 ASP CB C 40.377 0.083 . 1146 289 107 ASP N N 120.127 0.097 . 1147 290 108 ASP H H 8.707 0.006 . 1148 290 108 ASP HA H 4.524 0.01 . 1149 290 108 ASP HB2 H 3.039 0.01 . 1150 290 108 ASP HB3 H 2.576 0.011 . 1151 290 108 ASP C C 178.939 0.008 . 1152 290 108 ASP CA C 57.552 0.091 . 1153 290 108 ASP CB C 40.869 0.092 . 1154 290 108 ASP N N 121.218 0.057 . 1155 291 109 LEU H H 8.432 0.005 . 1156 291 109 LEU HA H 4.18 0.013 . 1157 291 109 LEU HB2 H 1.566 0.008 . 1158 291 109 LEU HB3 H 1.999 0.013 . 1159 291 109 LEU HG H 2.131 0.008 . 1160 291 109 LEU HD1 H 0.902 0.01 . 1161 291 109 LEU HD2 H 0.869 0.006 . 1162 291 109 LEU C C 179.875 0.003 . 1163 291 109 LEU CA C 57.827 0.085 . 1164 291 109 LEU CB C 40.986 0.072 . 1165 291 109 LEU CG C 26.752 0.013 . 1166 291 109 LEU CD1 C 25.208 0.087 . 1167 291 109 LEU CD2 C 22.395 0.058 . 1168 291 109 LEU N N 118.926 0.022 . 1169 292 110 ASN H H 8.193 0.004 . 1170 292 110 ASN HA H 4.585 0.011 . 1171 292 110 ASN HB2 H 3.027 0.006 . 1172 292 110 ASN HB3 H 2.928 0.02 . 1173 292 110 ASN HD21 H 7.804 0.001 . 1174 292 110 ASN HD22 H 6.958 0 . 1175 292 110 ASN C C 177.418 0.014 . 1176 292 110 ASN CA C 55.623 0.093 . 1177 292 110 ASN CB C 38.451 0.08 . 1178 292 110 ASN N N 117.836 0.096 . 1179 292 110 ASN ND2 N 112.4 0.052 . 1180 293 111 ARG H H 8.007 0.006 . 1181 293 111 ARG HA H 4.147 0.009 . 1182 293 111 ARG HB2 H 1.907 0.014 . 1183 293 111 ARG HB3 H 1.847 0.014 . 1184 293 111 ARG HG2 H 1.623 0.011 . 1185 293 111 ARG HG3 H 1.468 0.007 . 1186 293 111 ARG HD2 H 3.177 0.01 . 1187 293 111 ARG HD3 H 3.177 0.01 . 1188 293 111 ARG C C 177.774 0.011 . 1189 293 111 ARG CA C 58.495 0.039 . 1190 293 111 ARG CB C 30.18 0.034 . 1191 293 111 ARG CG C 27.372 0.067 . 1192 293 111 ARG CD C 43.338 0.044 . 1193 293 111 ARG N N 119.665 0.053 . 1194 294 112 TYR H H 8.083 0.006 . 1195 294 112 TYR HA H 4.42 0.006 . 1196 294 112 TYR HB2 H 3.143 0.006 . 1197 294 112 TYR HB3 H 2.883 0.01 . 1198 294 112 TYR HD1 H 7.394 0.009 . 1199 294 112 TYR HD2 H 7.394 0.009 . 1200 294 112 TYR HE1 H 6.756 0.005 . 1201 294 112 TYR HE2 H 6.756 0.005 . 1202 294 112 TYR C C 175.955 0.004 . 1203 294 112 TYR CA C 59.314 0.073 . 1204 294 112 TYR CB C 38.442 0.069 . 1205 294 112 TYR CD1 C 133.439 0.031 . 1206 294 112 TYR CE1 C 118.251 0.056 . 1207 294 112 TYR N N 117.508 0.068 . 1208 295 113 ALA H H 7.836 0.003 . 1209 295 113 ALA HA H 4.443 0.009 . 1210 295 113 ALA HB H 1.506 0.008 . 1211 295 113 ALA C C 177.483 0.008 . 1212 295 113 ALA CA C 52.877 0.08 . 1213 295 113 ALA CB C 19.31 0.034 . 1214 295 113 ALA N N 122.607 0.017 . 1215 296 114 SER H H 8.006 0.004 . 1216 296 114 SER HA H 4.542 0.015 . 1217 296 114 SER HB2 H 3.932 0.006 . 1218 296 114 SER HB3 H 3.932 0.006 . 1219 296 114 SER C C 173.74 0 . 1220 296 114 SER CA C 58.326 0.063 . 1221 296 114 SER CB C 64.114 0.084 . 1222 296 114 SER N N 114.598 0.047 . 1223 297 115 SER H H 7.929 0.003 . 1224 297 115 SER HA H 4.293 0.006 . 1225 297 115 SER HB2 H 3.877 0.007 . 1226 297 115 SER HB3 H 3.877 0.007 . 1227 297 115 SER C C 178.644 0 . 1228 297 115 SER CA C 60.078 0.057 . 1229 297 115 SER CB C 64.854 0.051 . 1230 297 115 SER N N 123.054 0.037 . stop_ save_